#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 0.58 0.83 3.69 2.20 0.76 -5.00 119.74 122.81 3dmk s LYS 2 Ca 0.00 0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 3dmk s LYS 2 Cb 0.00 0.23 0.09 0.00 -1.51 0.00 0.00 37.83 36.65 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 0.56 1.64 0.63 5.54 0.00 -1.26 -1.13 107.32 113.31 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 -0.03 0.49 1.14 2.56 0.00 0.00 0.00 173.10 177.26 3dmk s PRO 4 N -4.94 2.86 -0.12 2.90 0.04 -1.26 -4.51 135.00 129.97 3dmk s PRO 4 Ca 0.62 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 3dmk s PRO 4 Cb -0.17 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3dmk s PRO 4 CO 0.56 -1.23 0.30 0.54 0.04 0.00 0.00 177.00 177.21 3dmk s VAL 5 N -2.04 -0.01 -0.09 -0.36 0.11 0.11 -4.94 120.40 113.18 3dmk s VAL 5 Ca 0.71 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.51 3dmk s VAL 5 Cb -0.24 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3dmk s VAL 5 CO 0.37 0.02 1.31 -0.36 -3.33 0.00 0.00 175.10 173.11 3dmk s PHE 6 N 0.63 2.87 -0.13 1.54 0.08 -1.26 -0.91 117.98 120.80 3dmk s PHE 6 Ca -0.04 0.95 0.18 0.00 0.12 0.00 0.00 56.93 58.14 3dmk s PHE 6 Cb -0.05 -3.55 -0.22 0.00 -0.57 0.00 0.00 43.02 38.63 3dmk s PHE 6 CO -0.04 -1.94 0.47 1.28 -0.10 0.00 0.00 175.22 174.90 3dmk n LEU 7 N 6.00 0.40 -3.26 -0.37 4.77 -0.87 -4.89 117.00 118.77 3dmk n LEU 7 Ca 0.13 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 3dmk n LEU 7 Cb 0.45 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 3dmk n LEU 7 CO 0.57 0.27 0.03 -0.75 -1.33 0.00 0.00 177.39 176.18 3dmk s LYS 8 N -2.84 0.45 0.36 3.23 2.20 -0.13 -4.99 119.74 118.01 3dmk s LYS 8 Ca -0.07 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.24 3dmk s LYS 8 Cb 0.09 -0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3dmk s LYS 8 CO 0.84 -0.69 0.54 -1.21 -0.36 0.00 0.00 175.35 174.47 3dmk s GLU 9 N 2.68 3.28 0.72 4.03 2.02 -1.26 -1.19 118.70 128.98 3dmk s GLU 9 Ca 0.15 -0.58 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 3dmk s GLU 9 Cb -0.15 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.41 3dmk s GLU 9 CO -0.19 0.05 1.09 -2.14 0.02 0.00 0.00 175.26 174.08 3dmk s PRO 10 N -4.31 2.70 0.82 0.39 0.02 -1.26 -4.96 135.00 128.41 3dmk s PRO 10 Ca 0.42 0.59 -0.11 0.00 0.02 0.00 0.00 61.00 61.92 3dmk s PRO 10 Cb -0.10 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.52 3dmk s PRO 10 CO 0.34 -1.17 1.09 0.95 -0.33 0.00 0.00 177.00 177.88 3dmk s THR 11 N -3.25 3.06 0.29 0.99 -4.23 -1.26 -4.94 115.64 106.30 3dmk s THR 11 Ca 0.59 0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 3dmk s THR 11 Cb -0.12 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 70.95 3dmk s THR 11 CO 0.53 -0.45 1.83 0.78 -0.54 0.00 0.00 174.62 176.77 3dmk h ASN 12 N -1.24 0.75 -3.21 3.99 -0.26 -1.94 -3.41 115.58 110.26 3dmk h ASN 12 Ca -0.47 -0.13 -0.66 0.00 -0.56 0.00 0.00 56.30 54.48 3dmk h ASN 12 Cb 1.26 -0.19 -0.34 0.00 -1.06 0.00 0.00 38.32 37.98 3dmk h ASN 12 CO 0.55 0.74 -0.86 -0.13 -1.06 0.00 0.00 177.43 176.66 3dmk s ARG 13 N -5.20 2.89 -0.29 0.81 1.81 -1.26 -0.86 118.95 116.84 3dmk s ARG 13 Ca -0.10 -0.81 0.01 0.00 -1.72 0.00 0.00 55.73 53.11 3dmk s ARG 13 Cb 0.16 -2.35 0.09 0.00 -0.45 0.00 0.00 34.95 32.39 3dmk s ARG 13 CO 0.80 -0.03 0.05 0.42 -0.68 0.00 0.00 175.30 175.85 3dmk s ILE 14 N 0.86 1.34 -0.10 1.52 -1.09 -0.38 -4.97 121.20 118.39 3dmk s ILE 14 Ca -0.06 -1.52 -0.02 0.00 -2.23 0.00 0.00 60.65 56.81 3dmk s ILE 14 Cb -0.15 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.80 3dmk s ILE 14 CO -0.02 -0.49 0.01 -1.81 -1.23 0.00 0.00 174.94 171.40 3dmk s ASP 15 N 1.41 5.25 0.15 3.58 1.01 -1.26 -0.97 116.67 125.84 3dmk s ASP 15 Ca 0.06 0.12 -0.23 0.00 0.71 0.00 0.00 52.55 53.21 3dmk s ASP 15 Cb -0.18 -1.55 0.07 0.00 1.01 0.00 0.00 42.92 42.27 3dmk s ASP 15 CO -0.15 0.35 0.62 0.72 0.21 0.00 0.00 175.17 176.91 3dmk s PHE 16 N -0.69 -0.53 0.19 4.23 -0.12 -0.78 -5.00 117.98 115.28 3dmk s PHE 16 Ca 0.11 0.33 -0.05 0.00 -0.05 0.00 0.00 56.93 57.27 3dmk s PHE 16 Cb -0.12 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 3dmk s PHE 16 CO 0.02 -0.83 0.43 -1.54 -0.05 0.00 0.00 175.22 173.25 3dmk s SER 17 N -2.72 6.48 0.61 1.98 1.04 -1.26 -0.51 113.70 119.32 3dmk s SER 17 Ca 0.01 0.61 0.35 0.00 0.48 0.00 0.00 55.95 57.41 3dmk s SER 17 Cb -0.01 -2.10 1.97 0.00 0.10 0.00 0.00 66.02 65.98 3dmk s SER 17 CO -0.13 -0.02 2.26 -0.55 0.98 0.00 0.00 173.24 175.79 3dmk h ASN 18 N 2.47 0.00 1.05 7.02 -1.07 -1.84 0.38 115.58 123.59 3dmk h ASN 18 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 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 0.70 0.02 -0.83 0.28 0.07 0.00 0.00 177.43 177.67 3dmk h SER 19 N 0.00 0.00 0.06 6.14 0.02 -1.91 0.74 113.55 118.59 3dmk h SER 19 Ca -0.00 -0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 60.59 3dmk h SER 19 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3dmk h SER 19 CO 0.00 0.02 -1.73 0.41 -1.14 0.00 0.00 176.83 174.40 3dmk n THR 20 N -2.59 1.65 -0.25 -2.27 -1.04 -0.04 -4.90 114.28 104.84 3dmk n THR 20 Ca 0.01 -0.36 0.03 0.00 -2.04 0.00 0.00 64.05 61.69 3dmk n THR 20 Cb 0.52 -1.87 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 3dmk n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dmk n GLY 21 N 1.71 -1.94 3.47 3.41 0.00 -0.27 -4.72 105.19 106.85 3dmk n GLY 21 Ca -0.34 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.04 -1.58 0.00 4.61 0.00 -0.16 -4.74 121.76 117.85 3dmk s ALA 22 Ca 0.00 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.13 3dmk s ALA 22 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3dmk s ALA 22 CO 0.00 -0.35 -0.13 -1.83 0.00 0.00 0.00 175.76 173.45 3dmk s GLU 23 N -1.22 1.03 -0.17 0.00 -1.05 -1.26 -0.27 118.70 115.76 3dmk s GLU 23 Ca -0.11 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 3dmk s GLU 23 Cb -0.01 -1.00 0.03 0.00 -0.44 0.00 0.00 34.13 32.71 3dmk s GLU 23 CO 0.09 0.27 -0.11 0.96 0.95 0.00 0.00 175.26 177.42 3dmk s ILE 24 N -0.44 1.48 -0.22 1.83 -4.36 -0.13 -5.01 121.20 114.34 3dmk s ILE 24 Ca 0.04 -0.75 -0.12 0.00 -0.26 0.00 0.00 60.65 59.56 3dmk s ILE 24 Cb -0.06 -1.50 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 3dmk s ILE 24 CO -0.00 0.28 0.20 -0.70 0.24 0.00 0.00 174.94 174.97 3dmk s GLU 25 N 1.49 4.12 -0.28 0.37 2.12 -1.26 -0.95 118.70 124.32 3dmk s GLU 25 Ca 0.02 -0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.23 3dmk s GLU 25 Cb -0.15 -3.51 0.07 0.00 0.26 0.00 0.00 34.13 30.80 3dmk s GLU 25 CO -0.09 0.10 -0.08 0.00 -0.54 0.00 0.00 175.26 174.65 3dmk s LYS 27 N 1.06 3.78 0.01 0.00 2.36 -0.33 -4.42 119.74 122.20 3dmk s LYS 27 Ca -0.05 -0.44 0.06 0.00 -2.55 0.00 0.00 55.97 52.99 3dmk s LYS 27 Cb -0.20 -3.15 -0.02 0.00 -1.05 0.00 0.00 37.83 33.41 3dmk s LYS 27 CO -0.06 0.12 -0.19 0.00 1.55 0.00 0.00 175.35 176.78 3dmk s ALA 28 N 0.76 1.55 0.13 3.13 0.00 -1.26 -0.96 121.76 125.11 3dmk s ALA 28 Ca 0.02 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3dmk s ALA 28 Cb -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3dmk s ALA 28 CO 0.02 0.37 0.08 0.45 0.00 0.00 0.00 175.76 176.68 3dmk s SER 29 N -0.68 5.35 0.00 0.00 0.15 -0.09 -4.81 113.70 113.63 3dmk s SER 29 Ca 0.07 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3dmk s SER 29 Cb -0.08 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 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 0.07 -1.23 3.15 9.45 0.00 -1.26 0.08 105.19 115.45 3dmk n GLY 30 Ca -0.09 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.60 -1.42 0.83 1.61 3.04 -0.28 -4.14 114.94 111.97 3dmk s ASN 31 Ca 0.00 0.36 -0.11 0.00 0.04 0.00 0.00 52.86 53.15 3dmk s ASN 31 Cb 0.00 1.98 0.10 0.00 -1.54 0.00 0.00 41.25 41.79 3dmk s ASN 31 CO 0.00 -0.26 1.13 -2.84 -3.04 0.00 0.00 177.10 172.08 3dmk s PRO 32 N 2.85 1.67 -0.13 0.43 0.02 -1.26 -0.17 135.00 138.41 3dmk s PRO 32 Ca 0.14 1.39 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 3dmk s PRO 32 Cb -0.11 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 3dmk s PRO 32 CO -0.24 -2.12 2.11 -0.12 -0.33 0.00 0.00 177.00 176.30 3dmk n MET 33 N -3.79 2.20 -2.57 5.54 1.56 -1.26 -4.79 117.12 114.00 3dmk n MET 33 Ca 0.11 0.71 -0.33 0.00 -0.27 0.00 0.00 57.70 57.91 3dmk n MET 33 Cb 0.52 -3.04 -0.04 0.00 2.15 0.00 0.00 33.22 32.82 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 5.50 3.91 0.47 2.12 0.04 -1.26 -4.90 135.00 140.87 3dmk s PRO 34 Ca 0.97 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 3dmk s PRO 34 Cb -0.45 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 3dmk s PRO 34 CO 0.40 -0.33 0.89 -1.83 0.04 0.00 0.00 177.00 176.18 3dmk s GLU 35 N -3.36 3.86 -0.40 4.56 -1.05 0.26 -4.80 118.70 117.76 3dmk s GLU 35 Ca 0.65 0.72 0.02 0.00 -0.15 0.00 0.00 54.97 56.21 3dmk s GLU 35 Cb -0.13 -2.25 0.11 0.00 -0.44 0.00 0.00 34.13 31.42 3dmk s GLU 35 CO 0.20 -0.18 0.14 0.42 0.95 0.00 0.00 175.26 176.80 3dmk s ILE 36 N -2.54 2.66 -0.16 1.83 1.09 -1.26 -1.19 121.20 121.63 3dmk s ILE 36 Ca 0.55 -2.47 -0.08 0.00 -1.10 0.00 0.00 60.65 57.56 3dmk s ILE 36 Cb -0.10 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 3dmk s ILE 36 CO 0.32 -0.67 0.11 -0.63 -0.10 0.00 0.00 174.94 173.97 3dmk s ILE 37 N 0.71 5.26 -0.07 2.92 1.01 -0.00 -4.75 121.20 126.28 3dmk s ILE 37 Ca 0.12 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 3dmk s ILE 37 Cb -0.21 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3dmk s ILE 37 CO -0.06 0.52 0.53 0.26 0.00 0.00 0.00 174.94 176.19 3dmk s TRP 38 N -0.20 3.59 0.30 3.97 0.52 -1.26 -0.73 118.94 125.13 3dmk s TRP 38 Ca 0.10 1.03 0.09 0.00 0.02 0.00 0.00 56.10 57.34 3dmk s TRP 38 Cb -0.12 -2.57 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 3dmk s TRP 38 CO 0.01 0.26 0.04 0.96 0.02 0.00 0.00 176.95 178.23 3dmk s ILE 39 N 0.25 3.12 0.36 2.03 -4.36 0.17 0.07 121.20 122.84 3dmk s ILE 39 Ca 0.28 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.88 3dmk s ILE 39 Cb -0.16 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 3dmk s ILE 39 CO 0.13 -0.28 0.32 -0.60 0.24 0.00 0.00 174.94 174.76 3dmk s ARG 40 N -3.73 2.67 0.28 0.37 3.52 0.75 -1.03 118.95 121.78 3dmk s ARG 40 Ca 0.34 -1.36 -0.07 0.00 -0.13 0.00 0.00 55.73 54.51 3dmk s ARG 40 Cb -0.04 -2.46 0.48 0.00 -1.56 0.00 0.00 34.95 31.38 3dmk s ARG 40 CO 0.20 0.00 1.54 -1.13 -0.81 0.00 0.00 175.30 175.10 3dmk n SER 41 N -1.44 -0.33 0.22 -2.12 3.41 -0.69 -1.41 113.62 111.26 3dmk n SER 41 Ca -0.00 1.69 0.10 0.00 -0.26 0.00 0.00 58.87 60.41 3dmk n SER 41 Cb 0.60 -0.52 0.38 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.27 3dmk h ASP 42 Cb 0.77 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.06 3dmk h ASP 42 CO -1.01 0.19 0.00 0.61 -2.04 0.00 0.00 179.24 177.00 3dmk n GLY 43 N 0.47 1.73 3.78 7.15 0.00 -0.50 -5.12 105.19 112.71 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 -1.68 3.33 0.04 2.61 -1.32 -1.26 -4.71 115.64 112.64 3dmk s THR 44 Ca 0.00 0.92 -0.30 0.00 -1.21 0.00 0.00 61.69 61.09 3dmk s THR 44 Cb 0.00 -3.42 -0.05 0.00 -1.51 0.00 0.00 72.50 67.52 3dmk s THR 44 CO 0.00 -0.10 1.14 0.00 -2.21 0.00 0.00 174.62 173.45 3dmk s ALA 45 N -1.71 3.34 0.27 11.08 0.00 -1.26 -0.17 121.76 133.29 3dmk s ALA 45 Ca 0.66 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 3dmk s ALA 45 Cb -0.24 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 3dmk s ALA 45 CO 0.28 -0.40 1.19 0.14 0.00 0.00 0.00 175.76 176.98 3dmk s VAL 46 N 1.12 3.27 0.07 0.00 -7.23 0.11 -4.84 120.40 112.91 3dmk s VAL 46 Ca 0.57 1.21 0.01 0.00 -1.81 0.00 0.00 61.98 61.96 3dmk s VAL 46 Cb -0.27 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 32.91 3dmk s VAL 46 CO 0.28 0.26 0.10 0.61 -0.31 0.00 0.00 175.10 176.05 3dmk n GLY 47 N 1.40 1.59 3.96 2.32 0.00 -1.26 -4.78 105.19 108.42 3dmk n GLY 47 Ca 0.01 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.44 6.33 -0.30 1.61 -0.00 -1.26 -4.84 116.67 116.77 3dmk s ASP 48 Ca 0.07 0.14 -0.02 0.00 -0.00 0.00 0.00 52.55 52.74 3dmk s ASP 48 Cb -0.01 -1.89 0.12 0.00 -0.00 0.00 0.00 42.92 41.14 3dmk s ASP 48 CO 0.05 -0.04 0.20 -0.69 -0.00 0.00 0.00 175.17 174.69 3dmk s VAL 49 N -1.92 -0.19 -0.34 -1.27 1.01 0.85 -5.00 120.40 113.54 3dmk s VAL 49 Ca 0.35 -0.73 -0.36 0.00 0.00 0.00 0.00 61.98 61.23 3dmk s VAL 49 Cb -0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 36.38 35.18 3dmk s VAL 49 CO 0.29 -0.65 2.14 -2.65 0.00 0.00 0.00 175.10 174.24 3dmk n PRO 50 N 5.15 1.06 0.00 2.72 -0.02 -1.26 -1.11 135.00 141.54 3dmk n PRO 50 Ca -0.03 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3dmk n PRO 50 Cb 0.43 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 6.36 3.09 0.13 -1.23 0.00 -1.26 -4.87 105.19 107.41 3dmk n GLY 51 Ca 0.40 -1.01 -0.28 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 -0.27 -4.49 117.00 116.14 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 0.50 -0.37 -0.60 -1.33 0.00 0.00 177.39 175.60 3dmk s ARG 53 N -2.52 0.23 -0.03 3.23 3.52 -0.46 -3.66 118.95 119.27 3dmk s ARG 53 Ca -0.38 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3dmk s ARG 53 Cb 0.14 -0.45 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 3dmk s ARG 53 CO 0.49 -0.15 -0.05 -0.65 -0.81 0.00 0.00 175.30 174.13 3dmk s GLN 54 N 1.09 0.66 -0.38 5.12 -0.21 0.01 -0.11 119.66 125.84 3dmk s GLN 54 Ca -0.09 -0.14 -0.19 0.00 0.02 0.00 0.00 55.36 54.96 3dmk s GLN 54 Cb -0.13 -0.67 0.01 0.00 1.00 0.00 0.00 33.01 33.22 3dmk s GLN 54 CO -0.02 0.01 0.54 0.42 -2.12 0.00 0.00 175.29 174.12 3dmk s ILE 55 N 0.47 4.97 0.09 1.08 1.01 -1.26 -0.67 121.20 126.89 3dmk s ILE 55 Ca -0.06 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.85 3dmk s ILE 55 Cb -0.10 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.35 3dmk s ILE 55 CO -0.00 -0.33 0.10 -0.24 0.00 0.00 0.00 174.94 174.47 3dmk n SER 56 N 5.86 0.86 -4.65 3.58 2.88 0.01 -5.01 113.62 117.17 3dmk n SER 56 Ca -0.04 -1.29 -0.29 0.00 -1.33 0.00 0.00 58.87 55.93 3dmk n SER 56 Cb 0.48 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.08 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 -1.56 2.70 -1.62 -3.46 0.01 -1.26 -3.76 113.70 104.76 3dmk s SER 57 Ca 0.07 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.39 3dmk s SER 57 Cb -0.01 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.56 3dmk s SER 57 CO 0.05 -3.07 0.00 -0.67 0.41 0.00 0.00 173.24 169.96 3dmk n ASP 58 N -4.12 -4.95 -2.65 2.44 4.64 -1.26 -1.23 116.55 109.42 3dmk n ASP 58 Ca 0.06 0.19 -0.21 0.00 -1.38 0.00 0.00 54.79 53.45 3dmk n ASP 58 Cb 0.58 -4.25 0.01 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 -0.73 -0.51 3.55 0.27 0.00 -1.26 -4.39 105.19 102.12 3dmk n GLY 59 Ca -0.20 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -5.31 3.51 -0.31 1.61 1.02 -0.36 -1.79 119.74 118.11 3dmk s LYS 60 Ca 0.12 -0.12 -0.20 0.00 0.02 0.00 0.00 55.97 55.80 3dmk s LYS 60 Cb -0.05 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 3dmk s LYS 60 CO 0.15 -0.86 0.60 -1.17 -0.92 0.00 0.00 175.35 173.15 3dmk s LEU 61 N 2.78 4.17 -0.14 3.17 2.96 -0.12 -0.81 118.68 130.68 3dmk s LEU 61 Ca 0.24 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 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 -0.46 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.00 3dmk s VAL 62 N 2.55 3.84 -0.58 1.68 1.01 0.16 -0.95 120.40 128.10 3dmk s VAL 62 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3dmk s VAL 62 Cb -0.15 -2.67 0.15 0.00 0.00 0.00 0.00 36.38 33.71 3dmk s VAL 62 CO 0.12 0.51 0.36 -0.36 0.00 0.00 0.00 175.10 175.73 3dmk s PHE 63 N 0.22 3.34 1.00 5.22 0.08 0.63 -0.81 117.98 127.66 3dmk s PHE 63 Ca -0.03 -2.88 -0.12 0.00 0.12 0.00 0.00 56.93 54.01 3dmk s PHE 63 Cb -0.14 -3.06 0.19 0.00 -0.57 0.00 0.00 43.02 39.44 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 -0.10 0.44 0.69 0.24 0.02 -1.24 -0.99 135.00 134.05 3dmk s PRO 64 Ca 0.17 0.44 -0.17 0.00 0.02 0.00 0.00 61.00 61.46 3dmk s PRO 64 Cb -0.22 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.56 3dmk s PRO 64 CO -0.02 -2.71 1.21 -2.30 -0.33 0.00 0.00 177.00 172.85 3dmk n PRO 65 N -4.15 0.83 -3.89 5.54 -0.02 -1.26 -4.74 135.00 127.31 3dmk n PRO 65 Ca 0.05 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.80 3dmk n PRO 65 Cb 0.58 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.59 -0.04 0.22 6.00 -0.12 0.25 -4.94 117.98 117.76 3dmk s PHE 66 Ca 0.79 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 57.30 3dmk s PHE 66 Cb -0.36 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 3dmk s PHE 66 CO 0.44 -1.21 0.35 1.03 -0.05 0.00 0.00 175.22 175.79 3dmk s ARG 67 N -3.83 3.45 0.17 1.99 0.52 -1.26 -4.35 118.95 115.62 3dmk s ARG 67 Ca 0.14 -0.67 -0.19 0.00 -0.52 0.00 0.00 55.73 54.49 3dmk s ARG 67 Cb -0.05 -2.89 0.09 0.00 0.52 0.00 0.00 34.95 32.62 3dmk s ARG 67 CO 0.08 0.44 1.63 0.00 0.02 0.00 0.00 175.30 177.47 3dmk h ALA 68 N 1.45 0.07 -0.87 2.13 0.00 -1.98 0.16 119.26 120.22 3dmk h ALA 68 Ca -0.51 0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.75 3dmk h ALA 68 Cb 1.22 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 3dmk h ALA 68 CO 0.63 -0.57 0.59 1.05 0.00 0.00 0.00 179.25 180.95 3dmk h GLU 69 N -0.14 0.27 0.00 0.00 4.11 -2.06 -0.50 114.58 116.27 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 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3dmk h GLU 69 CO -0.46 0.18 0.00 -0.25 0.07 0.00 0.00 179.01 178.55 3dmk n ASP 70 N -4.45 0.52 -4.74 3.06 8.00 0.55 -4.87 116.55 114.62 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 0.75 -0.70 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 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 -3.10 2.80 -0.08 1.24 5.04 -0.20 -4.94 117.35 118.11 3dmk s TYR 71 Ca 0.10 0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 55.29 3dmk s TYR 71 Cb 0.13 -4.11 0.04 0.00 0.35 0.00 0.00 41.96 38.38 3dmk s TYR 71 CO 0.52 -3.95 0.12 1.03 -1.34 0.00 0.00 175.55 171.94 3dmk s ARG 72 N 0.20 0.00 0.22 4.97 0.52 -1.26 -5.05 118.95 118.55 3dmk s ARG 72 Ca 0.68 0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 56.17 3dmk s ARG 72 Cb -0.49 -0.56 0.25 0.00 0.52 0.00 0.00 34.95 34.67 3dmk s ARG 72 CO 0.41 -0.37 1.61 0.37 0.02 0.00 0.00 175.30 177.34 3dmk h GLN 73 N 8.39 -0.03 -1.17 3.54 4.15 -1.93 0.13 115.11 128.19 3dmk h GLN 73 Ca -0.13 0.00 0.35 0.00 0.77 0.00 0.00 58.65 59.65 3dmk h GLN 73 Cb 1.12 0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.70 3dmk h GLN 73 CO 0.17 -0.02 0.74 1.05 -1.93 0.00 0.00 178.83 178.84 3dmk h GLU 74 N -0.04 0.23 0.00 1.69 4.11 -1.97 -1.55 114.58 117.05 3dmk h GLU 74 Ca 0.32 -0.01 -0.39 0.00 0.07 0.00 0.00 59.36 59.34 3dmk h GLU 74 Cb 0.53 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3dmk h GLU 74 CO -0.72 0.15 -2.34 0.28 0.07 0.00 0.00 179.01 176.45 3dmk n VAL 75 N -4.70 1.32 1.21 -1.06 0.31 0.16 -4.66 118.33 110.91 3dmk n VAL 75 Ca 0.32 -0.37 0.11 0.00 -0.01 0.00 0.00 64.34 64.39 3dmk n VAL 75 Cb 1.16 -1.72 0.39 0.00 -0.91 0.00 0.00 33.84 32.76 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 -3.89 0.19 -3.06 3.52 8.25 0.22 -4.27 115.22 116.18 3dmk n HIS 76 Ca -0.46 -0.09 -0.18 0.00 -0.26 0.00 0.00 57.72 56.72 3dmk n HIS 76 Cb 0.86 0.00 -0.02 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 0.39 1.25 -2.37 -1.41 0.00 -0.59 0.07 120.51 117.85 3dmk n ALA 77 Ca 0.17 -2.81 -0.08 0.00 0.00 0.00 0.00 53.44 50.72 3dmk n ALA 77 Cb 0.36 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.85 0.57 -0.59 0.00 2.00 -0.55 -4.78 119.66 115.46 3dmk s GLN 78 Ca 0.34 -1.06 -0.16 0.00 -2.00 0.00 0.00 55.36 52.48 3dmk s GLN 78 Cb 0.22 0.09 0.13 0.00 0.80 0.00 0.00 33.01 34.26 3dmk s GLN 78 CO -0.13 -0.07 0.59 0.08 -0.50 0.00 0.00 175.29 175.25 3dmk s VAL 79 N -3.12 5.16 0.43 1.34 1.01 -1.26 -1.22 120.40 122.75 3dmk s VAL 79 Ca 0.01 -1.50 0.04 0.00 0.00 0.00 0.00 61.98 60.53 3dmk s VAL 79 Cb 0.02 -4.40 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3dmk s VAL 79 CO -0.06 -0.96 0.62 -0.31 0.00 0.00 0.00 175.10 174.39 3dmk s TYR 80 N 1.69 3.02 -0.27 5.22 2.02 -0.26 -1.70 117.35 127.07 3dmk s TYR 80 Ca 0.07 -0.09 -0.23 0.00 -0.37 0.00 0.00 57.07 56.46 3dmk s TYR 80 Cb -0.26 -2.34 0.07 0.00 -0.40 0.00 0.00 41.96 39.04 3dmk s TYR 80 CO 0.02 -0.39 0.72 0.00 -1.57 0.00 0.00 175.55 174.33 3dmk s ALA 81 N -2.45 -1.81 -0.00 3.71 0.00 -0.20 -0.65 121.76 120.35 3dmk s ALA 81 Ca 0.51 2.12 -0.24 0.00 0.00 0.00 0.00 51.96 54.35 3dmk s ALA 81 Cb -0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 3dmk s ALA 81 CO 0.35 -0.35 0.71 0.00 0.00 0.00 0.00 175.76 176.48 3dmk s LEU 83 N 0.19 3.53 -0.09 0.00 2.96 0.10 0.73 118.68 126.11 3dmk s LEU 83 Ca 0.37 -1.50 -0.10 0.00 -0.22 0.00 0.00 54.13 52.68 3dmk s LEU 83 Cb -0.19 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3dmk s LEU 83 CO 0.20 -0.23 0.23 0.00 -1.32 0.00 0.00 176.35 175.23 3dmk s ALA 84 N 1.11 3.80 -0.24 5.97 0.00 -0.21 -0.82 121.76 131.38 3dmk s ALA 84 Ca -0.05 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 3dmk s ALA 84 Cb -0.20 -2.13 0.07 0.00 0.00 0.00 0.00 23.12 20.86 3dmk s ALA 84 CO -0.06 0.53 0.68 0.50 0.00 0.00 0.00 175.76 177.42 3dmk s ARG 85 N -0.92 0.82 0.39 0.00 3.52 -0.33 -0.86 118.95 121.57 3dmk s ARG 85 Ca 0.18 0.88 0.04 0.00 -0.13 0.00 0.00 55.73 56.69 3dmk s ARG 85 Cb -0.13 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.61 3dmk s ARG 85 CO 0.07 -0.12 0.06 0.54 -0.81 0.00 0.00 175.30 175.04 3dmk s ASN 86 N 0.21 2.97 0.65 -2.12 2.20 0.02 -0.57 114.94 118.30 3dmk s ASN 86 Ca -0.01 -1.51 0.31 0.00 -0.94 0.00 0.00 52.86 50.71 3dmk s ASN 86 Cb -0.04 0.14 1.67 0.00 -2.00 0.00 0.00 41.25 41.02 3dmk s ASN 86 CO 0.02 -0.72 1.96 0.06 -2.94 0.00 0.00 177.10 175.48 3dmk h GLN 87 N 1.85 0.00 0.08 3.55 -0.00 -1.93 0.04 115.11 118.70 3dmk h GLN 87 Ca -0.40 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.00 3dmk h GLN 87 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 3dmk h GLN 87 CO 0.68 0.00 -1.12 0.35 -0.00 0.00 0.00 178.83 178.75 3dmk h PHE 88 N 0.00 0.48 0.00 0.06 3.04 -1.93 -3.50 116.94 115.10 3dmk h PHE 88 Ca 0.04 -0.32 0.00 0.00 3.98 0.00 0.00 57.97 61.67 3dmk h PHE 88 Cb 0.68 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.16 3dmk h PHE 88 CO 0.00 1.20 0.00 0.41 -2.02 0.00 0.00 178.31 177.90 3dmk n GLY 89 N 1.30 -1.30 3.10 2.40 0.00 0.00 -4.74 105.19 105.96 3dmk n GLY 89 Ca -0.07 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.87 1.33 -0.10 1.61 0.01 -1.26 -0.80 113.70 113.62 3dmk s SER 90 Ca 0.00 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 3dmk s SER 90 Cb 0.00 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.21 3dmk s SER 90 CO 0.00 -0.02 0.21 0.27 0.41 0.00 0.00 173.24 174.11 3dmk s ILE 91 N -0.88 -0.15 -0.16 1.44 -4.36 -0.04 -4.02 121.20 113.03 3dmk s ILE 91 Ca -0.01 0.21 -0.07 0.00 -0.26 0.00 0.00 60.65 60.53 3dmk s ILE 91 Cb -0.08 -0.34 -0.04 0.00 1.25 0.00 0.00 42.46 43.25 3dmk s ILE 91 CO 0.01 0.09 0.07 0.27 0.24 0.00 0.00 174.94 175.62 3dmk s ILE 92 N 1.62 4.92 1.15 8.37 -4.36 -1.26 -1.05 121.20 130.59 3dmk s ILE 92 Ca -0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.16 3dmk s ILE 92 Cb -0.11 -3.18 0.26 0.00 1.25 0.00 0.00 42.46 40.68 3dmk s ILE 92 CO -0.07 0.52 1.13 -0.94 0.24 0.00 0.00 174.94 175.81 3dmk s SER 93 N -0.13 1.41 1.05 4.36 1.04 0.22 -4.99 113.70 116.67 3dmk s SER 93 Ca 0.08 0.67 -0.12 0.00 0.48 0.00 0.00 55.95 57.06 3dmk s SER 93 Cb -0.12 -0.95 0.22 0.00 0.10 0.00 0.00 66.02 65.27 3dmk s SER 93 CO 0.01 -3.83 1.07 0.00 0.98 0.00 0.00 173.24 171.48 3dmk s ARG 94 N -5.40 -0.06 0.22 4.02 1.70 -1.26 -4.74 118.95 113.43 3dmk s ARG 94 Ca 0.70 1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 56.76 3dmk s ARG 94 Cb -0.10 -1.63 -0.09 0.00 -0.57 0.00 0.00 34.95 32.55 3dmk s ARG 94 CO 0.56 -3.22 1.26 -0.51 -1.08 0.00 0.00 175.30 172.30 3dmk s ASP 95 N -2.65 6.97 -0.30 -2.89 1.11 -1.26 -4.52 116.67 113.14 3dmk s ASP 95 Ca 0.67 2.37 -0.03 0.00 0.18 0.00 0.00 52.55 55.74 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 -0.44 0.01 -0.69 1.18 0.00 0.00 175.17 175.85 3dmk s VAL 96 N -0.20 3.22 -0.39 -1.27 1.01 0.18 -4.45 120.40 118.49 3dmk s VAL 96 Ca 0.53 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3dmk s VAL 96 Cb -0.35 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3dmk s VAL 96 CO 0.40 -0.03 0.92 -1.00 0.00 0.00 0.00 175.10 175.38 3dmk s HIS 97 N 1.32 3.03 -0.26 5.22 3.76 -0.04 -1.10 115.29 127.22 3dmk s HIS 97 Ca -0.03 0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 55.41 3dmk s HIS 97 Cb -0.19 -3.73 -0.05 0.00 1.11 0.00 0.00 32.58 29.73 3dmk s HIS 97 CO -0.01 -0.90 0.24 0.08 -0.85 0.00 0.00 174.74 173.30 3dmk s VAL 98 N 3.53 5.28 -0.43 -0.90 1.01 -0.36 -1.24 120.40 127.29 3dmk s VAL 98 Ca 0.37 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.67 3dmk s VAL 98 Cb -0.11 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 32.82 3dmk s VAL 98 CO 0.21 0.25 0.23 -0.60 0.00 0.00 0.00 175.10 175.19 3dmk s ARG 99 N 1.64 1.24 -0.00 2.72 3.52 -0.14 -1.48 118.95 126.44 3dmk s ARG 99 Ca 0.10 -1.93 -0.29 0.00 -0.13 0.00 0.00 55.73 53.48 3dmk s ARG 99 Cb -0.15 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 3dmk s ARG 99 CO 0.09 -1.15 0.92 0.00 -0.81 0.00 0.00 175.30 174.35 3dmk s ALA 100 N 0.45 3.21 -0.13 6.12 0.00 0.11 -1.87 121.76 129.65 3dmk s ALA 100 Ca 0.17 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 3dmk s ALA 100 Cb -0.24 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3dmk s ALA 100 CO -0.01 -0.18 -0.10 0.08 0.00 0.00 0.00 175.76 175.55 3dmk s VAL 101 N 0.87 1.24 0.11 0.00 1.01 0.34 -4.72 120.40 119.25 3dmk s VAL 101 Ca 0.48 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 3dmk s VAL 101 Cb -0.20 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 3dmk s VAL 101 CO 0.26 0.37 1.39 -0.69 0.00 0.00 0.00 175.10 176.43 3dmk s VAL 102 N 1.62 3.33 -0.65 2.92 1.01 -1.26 -3.19 120.40 124.18 3dmk s VAL 102 Ca 0.04 0.95 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 3dmk s VAL 102 Cb -0.13 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 3dmk s VAL 102 CO -0.09 0.07 2.44 0.00 0.00 0.00 0.00 175.10 177.53 3dmk n ALA 103 N 4.00 0.64 -2.72 5.51 0.00 -1.26 -4.90 120.51 121.77 3dmk n ALA 103 Ca 0.11 -0.95 -0.24 0.00 0.00 0.00 0.00 53.44 52.37 3dmk n ALA 103 Cb 0.42 -3.07 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 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 8.47 2.57 0.37 0.00 0.74 -1.26 -5.07 119.66 125.49 3dmk s GLN 104 Ca 1.04 -1.18 -0.25 0.00 0.05 0.00 0.00 55.36 55.02 3dmk s GLN 104 Cb -0.34 -2.38 -0.09 0.00 1.10 0.00 0.00 33.01 31.30 3dmk s GLN 104 CO 0.27 0.41 1.01 -0.47 -0.55 0.00 0.00 175.29 175.95 3dmk s TYR 105 N -2.07 3.43 -0.02 1.67 5.04 -1.26 -5.07 117.35 119.07 3dmk s TYR 105 Ca 0.31 1.69 -0.12 0.00 -2.44 0.00 0.00 57.07 56.51 3dmk s TYR 105 Cb -0.08 -3.04 0.02 0.00 0.35 0.00 0.00 41.96 39.21 3dmk s TYR 105 CO 0.21 -0.29 0.25 1.52 -1.34 0.00 0.00 175.55 175.90 3dmk s TYR 106 N -1.67 -0.12 -0.07 4.97 -0.85 -1.26 -5.13 117.35 113.22 3dmk s TYR 106 Ca 0.55 0.17 -0.00 0.00 -0.52 0.00 0.00 57.07 57.27 3dmk s TYR 106 Cb -0.20 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.21 3dmk s TYR 106 CO 0.26 -0.33 -0.04 -1.83 -1.52 0.00 0.00 175.55 172.08 3dmk s GLU 107 N -1.22 1.02 0.37 -3.49 -1.05 -1.26 -5.08 118.70 107.98 3dmk s GLU 107 Ca -0.13 -0.10 -0.25 0.00 -0.15 0.00 0.00 54.97 54.35 3dmk s GLU 107 Cb -0.06 -1.13 -0.10 0.00 -0.44 0.00 0.00 34.13 32.40 3dmk s GLU 107 CO 0.03 -0.20 0.99 0.00 0.95 0.00 0.00 175.26 177.03 3dmk s ALA 108 N 1.47 3.14 0.13 -0.84 0.00 -1.26 -4.68 121.76 119.72 3dmk s ALA 108 Ca -0.02 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.61 3dmk s ALA 108 Cb -0.13 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3dmk s ALA 108 CO -0.04 0.02 -0.19 -0.51 0.00 0.00 0.00 175.76 175.04 3dmk s ASP 109 N -1.68 3.78 -0.16 0.00 1.01 0.07 -0.35 116.67 119.34 3dmk s ASP 109 Ca 0.55 -0.62 -0.02 0.00 0.71 0.00 0.00 52.55 53.17 3dmk s ASP 109 Cb -0.18 -0.48 0.05 0.00 1.01 0.00 0.00 42.92 43.32 3dmk s ASP 109 CO 0.24 0.17 0.02 -0.69 0.21 0.00 0.00 175.17 175.11 3dmk s VAL 110 N -1.21 0.54 0.46 -1.27 1.01 -0.54 -0.62 120.40 118.76 3dmk s VAL 110 Ca 0.18 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3dmk s VAL 110 Cb -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3dmk s VAL 110 CO 0.10 -0.07 0.62 0.20 0.00 0.00 0.00 175.10 175.95 3dmk s ASN 111 N 1.87 5.53 0.27 3.32 0.01 -1.26 -0.98 114.94 123.70 3dmk s ASN 111 Ca 0.01 -0.42 -0.31 0.00 -0.71 0.00 0.00 52.86 51.43 3dmk s ASN 111 Cb -0.16 -0.56 -0.12 0.00 0.41 0.00 0.00 41.25 40.82 3dmk s ASN 111 CO -0.07 -0.89 1.57 0.29 -1.51 0.00 0.00 177.10 176.49 3dmk n LYS 112 N -1.96 2.55 -4.53 -0.60 5.02 -1.26 -4.04 118.16 113.34 3dmk n LYS 112 Ca 0.09 0.91 -0.33 0.00 -2.02 0.00 0.00 58.31 56.96 3dmk n LYS 112 Cb 0.59 -2.67 -0.16 0.00 -0.02 0.00 0.00 35.03 32.77 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 -0.27 3.12 -0.14 1.97 2.56 0.10 -4.92 118.70 121.13 3dmk s GLU 113 Ca 0.66 -0.80 -0.14 0.00 0.00 0.00 0.00 54.97 54.70 3dmk s GLU 113 Cb -0.53 -2.55 -0.05 0.00 2.00 0.00 0.00 34.13 33.00 3dmk s GLU 113 CO 0.47 -0.02 0.32 -1.01 -0.56 0.00 0.00 175.26 174.45 3dmk s HIS 114 N 0.88 3.50 0.02 5.30 3.76 -1.26 -0.95 115.29 126.54 3dmk s HIS 114 Ca -0.05 0.66 0.03 0.00 -0.15 0.00 0.00 55.06 55.55 3dmk s HIS 114 Cb -0.15 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.18 3dmk s HIS 114 CO -0.02 0.29 -0.09 0.14 -0.85 0.00 0.00 174.74 174.20 3dmk s VAL 115 N 0.28 0.71 -0.44 -0.90 -7.23 0.08 -4.95 120.40 107.95 3dmk s VAL 115 Ca 0.18 -0.75 -0.24 0.00 -1.81 0.00 0.00 61.98 59.36 3dmk s VAL 115 Cb -0.13 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.16 3dmk s VAL 115 CO 0.05 -0.06 0.82 -0.63 -0.31 0.00 0.00 175.10 174.98 3dmk s ILE 116 N -0.75 4.62 -0.30 -0.62 1.01 -1.26 -0.79 121.20 123.11 3dmk s ILE 116 Ca -0.02 0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 3dmk s ILE 116 Cb -0.06 -4.33 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 3dmk s ILE 116 CO 0.00 -0.70 1.09 -1.14 0.00 0.00 0.00 174.94 174.19 3dmk n ARG 117 N 6.78 0.00 0.00 2.79 0.63 -0.23 -1.12 116.66 125.51 3dmk n ARG 117 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3dmk n ARG 117 Cb 0.48 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.48 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 3.17 3.33 3.67 5.14 0.00 -0.36 -4.79 105.19 115.36 3dmk n GLY 118 Ca 0.24 -1.06 -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 2.93 0.15 1.61 0.02 -0.28 -4.02 114.94 115.36 3dmk s ASN 119 Ca 0.00 1.58 -0.10 0.00 -1.02 0.00 0.00 52.86 53.33 3dmk s ASN 119 Cb 0.00 -2.24 -0.06 0.00 0.02 0.00 0.00 41.25 38.97 3dmk s ASN 119 CO 0.00 -2.99 0.47 -0.44 0.02 0.00 0.00 177.10 174.15 3dmk s SER 120 N -3.16 6.64 0.12 -1.22 0.01 -1.26 -0.82 113.70 114.01 3dmk s SER 120 Ca 0.65 0.84 0.05 0.00 1.31 0.00 0.00 55.95 58.80 3dmk s SER 120 Cb -0.20 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3dmk s SER 120 CO 0.58 0.06 0.03 0.00 0.41 0.00 0.00 173.24 174.33 3dmk s ALA 121 N -1.59 3.34 -0.31 1.44 0.00 0.10 -4.91 121.76 119.84 3dmk s ALA 121 Ca 0.40 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3dmk s ALA 121 Cb -0.13 -1.19 0.10 0.00 0.00 0.00 0.00 23.12 21.90 3dmk s ALA 121 CO 0.20 0.61 0.09 0.08 0.00 0.00 0.00 175.76 176.75 3dmk s VAL 122 N -1.50 0.89 -0.30 0.00 1.01 -1.26 -0.54 120.40 118.70 3dmk s VAL 122 Ca 0.27 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.60 3dmk s VAL 122 Cb -0.11 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3dmk s VAL 122 CO 0.20 -0.65 0.95 -0.63 0.00 0.00 0.00 175.10 174.96 3dmk s ILE 123 N 1.61 4.66 -0.12 2.22 -1.09 0.85 -4.89 121.20 124.44 3dmk s ILE 123 Ca 0.09 1.57 -0.08 0.00 -2.23 0.00 0.00 60.65 60.01 3dmk s ILE 123 Cb -0.17 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 3dmk s ILE 123 CO -0.24 -0.32 0.15 -0.54 -1.23 0.00 0.00 174.94 172.76 3dmk s LYS 124 N 3.28 3.55 -0.57 2.79 1.02 -1.26 -0.82 119.74 127.72 3dmk s LYS 124 Ca 0.40 -0.11 -0.17 0.00 0.02 0.00 0.00 55.97 56.11 3dmk s LYS 124 Cb -0.13 -3.22 0.13 0.00 -0.52 0.00 0.00 37.83 34.09 3dmk s LYS 124 CO 0.12 0.72 0.58 0.00 -0.92 0.00 0.00 175.35 175.86 3dmk s LEU 126 N 1.86 3.88 -0.10 0.00 1.43 0.21 -4.91 118.68 121.05 3dmk s LEU 126 Ca 0.07 1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.46 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 0.02 -0.63 0.23 0.00 0.00 176.35 174.87 3dmk s ILE 127 N 4.62 4.45 -0.13 -0.59 1.01 -1.26 -0.75 121.20 128.55 3dmk s ILE 127 Ca 0.61 -0.19 -0.36 0.00 0.00 0.00 0.00 60.65 60.71 3dmk s ILE 127 Cb -0.19 -2.90 -0.13 0.00 0.01 0.00 0.00 42.46 39.25 3dmk s ILE 127 CO 0.25 0.58 1.81 -2.65 0.00 0.00 0.00 174.94 174.94 3dmk n PRO 128 N 2.38 1.84 -0.30 2.79 -0.02 -1.26 -4.82 135.00 135.61 3dmk n PRO 128 Ca -0.18 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 3dmk n PRO 128 Cb 0.54 -2.46 0.30 0.00 -0.02 0.00 0.00 33.50 31.85 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 8.35 0.23 0.51 2.55 4.64 -1.99 0.37 113.55 128.22 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 1.29 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3dmk h SER 129 CO 0.95 -0.05 0.00 2.22 -0.87 0.00 0.00 176.83 179.08 3dmk n PHE 130 N -5.10 0.60 0.32 4.77 1.16 -1.26 -1.72 117.46 116.23 3dmk n PHE 130 Ca 0.22 0.25 0.04 0.00 -1.87 0.00 0.00 57.45 56.09 3dmk n PHE 130 Cb 0.66 -0.90 0.02 0.00 -1.61 0.00 0.00 39.48 37.65 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 -2.06 0.00 -0.38 1.97 0.24 0.03 -4.78 118.33 113.35 3dmk n VAL 131 Ca 0.02 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.81 3dmk n VAL 131 Cb 0.17 1.13 0.01 0.00 -1.47 0.00 0.00 33.84 33.68 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 0.13 -0.24 -0.05 2.33 0.00 -0.63 -0.98 120.51 121.06 3dmk n ALA 132 Ca 0.04 0.93 0.25 0.00 0.00 0.00 0.00 53.44 54.65 3dmk n ALA 132 Cb 0.17 -0.36 0.66 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.86 -0.38 116.42 119.32 3dmk h ASP 133 Ca 0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3dmk h ASP 133 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3dmk h ASP 133 CO -0.95 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 175.66 3dmk n PHE 134 N -3.62 0.06 -4.44 4.55 3.72 -0.15 -4.99 117.46 112.58 3dmk n PHE 134 Ca 0.14 -0.21 -0.23 0.00 -0.05 0.00 0.00 57.45 57.11 3dmk n PHE 134 Cb 0.97 -0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.58 0.92 0.13 -4.37 1.01 -0.15 -0.10 120.40 117.25 3dmk s VAL 135 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3dmk s VAL 135 Cb 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3dmk s VAL 135 CO 0.04 0.31 0.02 -1.83 0.00 0.00 0.00 175.10 173.64 3dmk s GLU 136 N 0.71 0.92 0.26 2.72 -1.05 -0.77 -4.72 118.70 116.77 3dmk s GLU 136 Ca -0.13 -1.42 -0.30 0.00 -0.15 0.00 0.00 54.97 52.97 3dmk s GLU 136 Cb -0.15 0.09 -0.09 0.00 -0.44 0.00 0.00 34.13 33.54 3dmk s GLU 136 CO 0.02 -0.19 1.04 0.08 0.95 0.00 0.00 175.26 177.16 3dmk s VAL 137 N -3.91 3.73 -0.08 1.83 1.01 -1.26 -0.88 120.40 120.84 3dmk s VAL 137 Ca 0.21 1.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.88 3dmk s VAL 137 Cb 0.07 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3dmk s VAL 137 CO 0.00 0.41 -0.11 0.52 0.00 0.00 0.00 175.10 175.92 3dmk n VAL 138 N 1.38 0.47 -3.52 2.92 0.31 0.13 -4.86 118.33 115.17 3dmk n VAL 138 Ca -0.01 -0.11 -0.16 0.00 -0.01 0.00 0.00 64.34 64.06 3dmk n VAL 138 Cb 0.46 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.72 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 -5.75 -0.58 0.08 4.52 1.04 -1.16 -4.38 113.70 107.48 3dmk s SER 139 Ca -0.11 0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.76 3dmk s SER 139 Cb 0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3dmk s SER 139 CO 0.14 -0.71 0.13 0.26 0.98 0.00 0.00 173.24 174.05 3dmk s TRP 140 N -2.03 3.31 -0.01 5.02 0.52 0.02 -0.90 118.94 124.87 3dmk s TRP 140 Ca -0.07 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.19 3dmk s TRP 140 Cb -0.01 -1.67 0.01 0.00 -1.15 0.00 0.00 33.47 30.65 3dmk s TRP 140 CO 0.02 0.55 -0.02 -1.01 0.02 0.00 0.00 176.95 176.51 3dmk s HIS 141 N -1.46 0.28 0.15 -1.98 3.76 -0.16 -1.06 115.29 114.82 3dmk s HIS 141 Ca 0.32 -0.04 0.05 0.00 -0.15 0.00 0.00 55.06 55.24 3dmk s HIS 141 Cb -0.12 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.29 3dmk s HIS 141 CO 0.24 -0.04 0.12 0.95 -0.85 0.00 0.00 174.74 175.16 3dmk s THR 142 N 0.25 4.44 0.42 1.30 -4.23 -0.52 -0.95 115.64 116.36 3dmk s THR 142 Ca -0.02 -1.07 0.33 0.00 -1.18 0.00 0.00 61.69 59.75 3dmk s THR 142 Cb -0.05 -3.25 0.35 0.00 1.34 0.00 0.00 72.50 70.90 3dmk s THR 142 CO -0.01 -0.08 2.14 -2.24 -0.54 0.00 0.00 174.62 173.89 3dmk h ASP 143 N 2.54 0.00 0.00 3.99 3.04 -1.62 0.82 116.42 125.19 3dmk h ASP 143 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 3dmk h ASP 143 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3dmk h ASP 143 CO 0.63 0.06 0.00 -0.62 -2.04 0.00 0.00 179.24 177.27 3dmk n GLU 144 N -3.41 0.76 -3.10 4.15 1.02 -1.26 -4.90 120.64 113.89 3dmk n GLU 144 Ca -0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 3dmk n GLU 144 Cb 0.20 -1.27 0.07 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.77 -2.76 -5.23 3.49 1.02 0.28 -5.06 120.64 111.61 3dmk n GLU 145 Ca 0.10 0.77 -0.31 0.00 -0.02 0.00 0.00 57.16 57.70 3dmk n GLU 145 Cb 0.05 -5.40 -0.15 0.00 -0.02 0.00 0.00 31.44 25.91 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 -4.43 2.17 -0.24 3.49 2.02 -1.24 -4.97 118.70 115.49 3dmk s GLU 146 Ca 0.33 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3dmk s GLU 146 Cb -0.04 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.14 3dmk s GLU 146 CO 0.66 0.57 -0.12 -0.80 0.02 0.00 0.00 175.26 175.59 3dmk s ASN 147 N -0.65 4.17 -0.37 -0.19 0.02 -1.26 -1.44 114.94 115.22 3dmk s ASN 147 Ca 0.10 -1.25 -0.14 0.00 -1.02 0.00 0.00 52.86 50.55 3dmk s ASN 147 Cb -0.10 -1.51 -0.00 0.00 0.02 0.00 0.00 41.25 39.66 3dmk s ASN 147 CO -0.01 -0.16 0.29 -0.31 0.02 0.00 0.00 177.10 176.94 3dmk s TYR 148 N 1.15 3.23 0.62 2.20 2.02 -0.23 -4.95 117.35 121.39 3dmk s TYR 148 Ca -0.06 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.34 3dmk s TYR 148 Cb -0.19 -2.58 0.09 0.00 -0.40 0.00 0.00 41.96 38.88 3dmk s TYR 148 CO -0.06 -0.48 0.85 -0.06 -1.57 0.00 0.00 175.55 174.23 3dmk s PHE 149 N 1.78 1.87 0.53 2.71 0.08 -1.26 -0.80 117.98 122.89 3dmk s PHE 149 Ca 0.07 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 3dmk s PHE 149 Cb -0.18 -2.65 -0.07 0.00 -0.57 0.00 0.00 43.02 39.56 3dmk s PHE 149 CO 0.11 -1.27 1.01 -2.14 -0.10 0.00 0.00 175.22 172.83 3dmk s PRO 150 N -4.85 3.77 0.00 0.24 0.02 -1.26 -4.30 135.00 128.62 3dmk s PRO 150 Ca 0.62 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3dmk s PRO 150 Cb -0.07 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3dmk s PRO 150 CO 0.40 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 3dmk n GLY 151 N -1.36 0.57 3.57 0.52 0.00 -1.26 -5.05 105.19 102.17 3dmk n GLY 151 Ca 0.07 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 0.39 0.16 4.61 0.00 -1.26 -4.79 121.76 119.63 3dmk s ALA 152 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3dmk s ALA 152 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 3dmk s ALA 152 CO 0.00 -3.56 0.92 -2.00 0.00 0.00 0.00 175.76 171.12 3dmk s GLU 153 N -5.15 4.73 0.17 0.00 2.12 -1.26 -4.81 118.70 114.50 3dmk s GLU 153 Ca 0.69 1.41 -0.26 0.00 0.36 0.00 0.00 54.97 57.17 3dmk s GLU 153 Cb -0.14 -3.33 -0.08 0.00 0.26 0.00 0.00 34.13 30.84 3dmk s GLU 153 CO 0.58 0.37 0.79 0.71 -0.54 0.00 0.00 175.26 177.17 3dmk s TYR 154 N -0.57 3.91 -0.34 5.30 1.51 -0.03 -4.29 117.35 122.84 3dmk s TYR 154 Ca 0.43 1.65 0.00 0.00 -1.01 0.00 0.00 57.07 58.14 3dmk s TYR 154 Cb -0.24 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.82 3dmk s TYR 154 CO 0.30 0.50 0.00 -0.25 -1.11 0.00 0.00 175.55 174.99 3dmk n ASP 155 N 1.64 -1.49 -2.38 2.29 8.00 -1.26 0.05 116.55 123.40 3dmk n ASP 155 Ca -0.05 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.61 3dmk n ASP 155 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.07 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 -0.38 -0.40 1.95 0.44 0.00 -1.26 -4.74 105.19 100.80 3dmk n GLY 156 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.75 0.00 -3.21 1.61 4.81 0.11 -4.94 118.16 113.79 3dmk n LYS 157 Ca -0.14 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.91 3dmk n LYS 157 Cb 0.60 -0.02 -0.06 0.00 0.02 0.00 0.00 35.03 35.57 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 3.64 -0.11 5.64 2.02 -1.02 -0.97 117.35 124.55 3dmk s TYR 158 Ca 0.00 1.16 -0.05 0.00 -0.37 0.00 0.00 57.07 57.80 3dmk s TYR 158 Cb 0.00 -2.62 0.05 0.00 -0.40 0.00 0.00 41.96 38.99 3dmk s TYR 158 CO 0.00 0.30 0.25 -1.17 -1.57 0.00 0.00 175.55 173.35 3dmk s LEU 159 N 0.04 0.25 -0.42 -1.29 2.96 -0.29 -0.85 118.68 119.09 3dmk s LEU 159 Ca 0.31 0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 54.50 3dmk s LEU 159 Cb -0.18 0.72 0.02 0.00 0.50 0.00 0.00 46.19 47.25 3dmk s LEU 159 CO 0.16 -0.18 0.92 -0.69 -1.32 0.00 0.00 176.35 175.24 3dmk s VAL 160 N 1.53 4.53 0.61 1.68 1.01 -1.26 0.69 120.40 129.19 3dmk s VAL 160 Ca -0.07 0.95 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 3dmk s VAL 160 Cb -0.11 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 3dmk s VAL 160 CO -0.08 -0.68 1.15 -0.76 0.00 0.00 0.00 175.10 174.72 3dmk s LEU 161 N 3.60 3.57 0.29 3.92 1.43 -0.02 -4.50 118.68 126.97 3dmk s LEU 161 Ca 0.37 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 3dmk s LEU 161 Cb -0.11 -4.58 0.68 0.00 0.03 0.00 0.00 46.19 42.21 3dmk s LEU 161 CO 0.23 -1.53 1.74 -0.65 0.23 0.00 0.00 176.35 176.36 3dmk h PRO 162 N 0.60 0.54 0.00 1.29 0.11 -1.88 -0.01 132.00 132.65 3dmk h PRO 162 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dmk h PRO 162 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dmk h PRO 162 CO 0.55 0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 3dmk n SER 163 N -4.92 0.00 0.00 -2.05 3.41 -1.26 -4.86 113.62 103.94 3dmk n SER 163 Ca 0.21 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 3dmk n SER 163 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.32 3.27 3.75 5.00 0.00 -0.02 -4.93 105.19 112.58 3dmk n GLY 164 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.81 2.00 -0.33 1.61 8.01 -1.25 -4.73 118.70 123.19 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 -1.86 0.01 0.00 -4.31 0.00 0.00 34.13 27.96 3dmk s GLU 165 CO 0.00 -1.85 0.16 -1.17 0.01 0.00 0.00 175.26 172.42 3dmk s LEU 166 N -6.06 4.30 -0.46 1.80 2.96 -0.00 -0.84 118.68 120.37 3dmk s LEU 166 Ca 0.62 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.67 3dmk s LEU 166 Cb -0.18 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.56 3dmk s LEU 166 CO 0.56 -0.26 0.43 -2.28 -1.32 0.00 0.00 176.35 173.48 3dmk s HIS 167 N 1.58 3.19 -0.34 5.38 5.65 0.22 -0.10 115.29 130.86 3dmk s HIS 167 Ca 0.03 -0.68 -0.17 0.00 0.25 0.00 0.00 55.06 54.50 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 0.45 0.42 -0.65 0.00 0.00 174.74 174.24 3dmk s ILE 168 N 1.93 5.08 0.01 0.89 1.01 0.30 -1.14 121.20 129.28 3dmk s ILE 168 Ca 0.08 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 3dmk s ILE 168 Cb -0.21 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3dmk s ILE 168 CO 0.10 -0.16 0.93 -0.60 0.00 0.00 0.00 174.94 175.21 3dmk s ARG 169 N 2.24 4.56 -0.50 2.79 3.52 -0.14 0.03 118.95 131.44 3dmk s ARG 169 Ca 0.16 1.33 -0.23 0.00 -0.13 0.00 0.00 55.73 56.87 3dmk s ARG 169 Cb -0.16 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3dmk s ARG 169 CO 0.12 0.03 0.64 -1.91 -0.81 0.00 0.00 175.30 173.37 3dmk n GLU 170 N 3.65 -2.03 -2.36 5.12 2.13 -1.26 -4.87 120.64 121.02 3dmk n GLU 170 Ca 0.04 1.67 -0.42 0.00 0.66 0.00 0.00 57.16 59.11 3dmk n GLU 170 Cb 0.51 -3.92 -0.03 0.00 0.27 0.00 0.00 31.44 28.27 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 -2.22 3.74 0.13 6.31 1.01 -0.00 -4.88 120.40 124.49 3dmk s VAL 171 Ca 0.26 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.58 3dmk s VAL 171 Cb -0.05 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3dmk s VAL 171 CO 0.82 0.13 -0.07 -0.83 0.00 0.00 0.00 175.10 175.16 3dmk s GLY 172 N 0.79 0.94 0.28 4.51 0.00 -1.26 -1.22 107.32 111.36 3dmk s GLY 172 Ca 0.58 -1.43 0.10 0.00 0.00 0.00 0.00 44.72 43.97 3dmk s GLY 172 CO 0.32 -1.51 1.31 -1.05 0.00 0.00 0.00 173.10 172.17 3dmk n PRO 173 N -0.12 -0.06 0.00 2.90 -0.02 -1.26 -0.26 135.00 136.18 3dmk n PRO 173 Ca -0.11 1.20 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 3dmk n PRO 173 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -5.04 0.00 0.00 -0.52 0.00 -1.26 -1.83 120.64 111.99 3dmk n GLU 174 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.42 3dmk n GLU 174 Cb 0.87 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.92 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 -0.82 0.83 -0.14 -1.84 8.00 0.64 -4.60 116.55 118.62 3dmk n ASP 175 Ca 0.00 -1.21 0.15 0.00 0.71 0.00 0.00 54.79 54.44 3dmk n ASP 175 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.81 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 -0.10 -0.79 0.08 0.44 0.00 -0.76 -3.87 105.19 100.18 3dmk n GLY 176 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 0.70 0.03 -3.46 1.61 3.20 -1.81 -3.43 116.97 113.82 3dmk h TYR 177 Ca 0.00 -0.02 -0.52 0.00 3.14 0.00 0.00 58.73 61.33 3dmk h TYR 177 Cb 0.27 -0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.57 3dmk h TYR 177 CO 0.00 1.07 0.62 0.15 -1.64 0.00 0.00 178.16 178.36 3dmk s LYS 178 N -2.25 4.42 -0.29 1.82 1.02 -1.25 -5.01 119.74 118.21 3dmk s LYS 178 Ca -0.20 2.01 -0.11 0.00 0.02 0.00 0.00 55.97 57.69 3dmk s LYS 178 Cb -0.02 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3dmk s LYS 178 CO 0.69 -0.19 0.19 -1.12 -0.92 0.00 0.00 175.35 173.99 3dmk s SER 179 N 0.19 5.94 -0.08 2.83 0.01 -1.26 -4.41 113.70 116.92 3dmk s SER 179 Ca 0.55 -0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.64 3dmk s SER 179 Cb -0.35 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3dmk s SER 179 CO 0.39 -0.08 0.20 -0.31 0.41 0.00 0.00 173.24 173.85 3dmk s TYR 180 N 1.74 3.61 -0.09 2.43 2.02 0.27 -1.53 117.35 125.79 3dmk s TYR 180 Ca 0.07 0.58 -0.10 0.00 -0.37 0.00 0.00 57.07 57.24 3dmk s TYR 180 Cb -0.16 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3dmk s TYR 180 CO 0.10 0.70 0.28 1.14 -1.57 0.00 0.00 175.55 176.21 3dmk s GLN 181 N -1.23 0.38 0.24 -0.62 -2.07 -0.12 -0.60 119.66 115.64 3dmk s GLN 181 Ca 0.19 0.30 -0.02 0.00 -1.82 0.00 0.00 55.36 54.01 3dmk s GLN 181 Cb -0.13 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 31.93 3dmk s GLN 181 CO 0.08 -0.06 0.46 0.00 -1.32 0.00 0.00 175.29 174.45 3dmk s ARG 183 N -3.42 2.96 0.13 0.00 3.52 -0.07 -0.72 118.95 121.35 3dmk s ARG 183 Ca 0.41 -0.87 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 3dmk s ARG 183 Cb -0.11 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 3dmk s ARG 183 CO 0.29 -0.26 0.12 0.95 -0.81 0.00 0.00 175.30 175.59 3dmk s THR 184 N 1.30 4.52 -0.07 4.11 -4.23 0.03 -0.69 115.64 120.62 3dmk s THR 184 Ca 0.03 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 3dmk s THR 184 Cb -0.14 -3.26 -0.00 0.00 1.34 0.00 0.00 72.50 70.43 3dmk s THR 184 CO -0.10 -0.02 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.99 3dmk s LYS 185 N -2.84 2.46 -0.35 3.99 2.20 -0.06 -0.56 119.74 124.59 3dmk s LYS 185 Ca 0.30 -0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 54.90 3dmk s LYS 185 Cb -0.11 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 3dmk s LYS 185 CO 0.23 0.26 0.78 -1.58 -0.36 0.00 0.00 175.35 174.67 3dmk s HIS 186 N 0.12 3.14 -1.81 4.03 5.65 -0.37 -1.84 115.29 124.20 3dmk s HIS 186 Ca -0.09 0.63 0.22 0.00 0.25 0.00 0.00 55.06 56.06 3dmk s HIS 186 Cb -0.15 -3.33 1.23 0.00 -1.18 0.00 0.00 32.58 29.15 3dmk s HIS 186 CO 0.05 -0.68 1.68 2.89 -0.65 0.00 0.00 174.74 178.04 3dmk n ARG 187 N 6.34 0.56 -0.08 2.88 1.85 0.85 -0.54 116.66 128.53 3dmk n ARG 187 Ca 0.03 0.03 -0.14 0.00 -1.00 0.00 0.00 57.85 56.76 3dmk n ARG 187 Cb 0.48 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.09 1.94 0.08 2.89 4.77 -1.26 -4.71 117.00 119.62 3dmk n LEU 188 Ca 0.14 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 3dmk n LEU 188 Cb 0.11 -0.50 -0.07 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 0.00 177.39 177.65 3dmk h THR 189 N -0.33 1.59 0.00 -5.08 1.35 -1.91 -3.44 112.91 105.09 3dmk h THR 189 Ca -0.38 -3.14 0.00 0.00 -0.55 0.00 0.00 66.41 62.34 3dmk h THR 189 Cb 1.43 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.57 3dmk h THR 189 CO -0.16 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3dmk n GLY 190 N 1.20 0.43 3.84 5.82 0.00 0.30 -5.05 105.19 111.74 3dmk n GLY 190 Ca 0.00 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.92 3.60 -0.23 1.61 2.02 -1.25 -4.91 118.70 117.62 3dmk s GLU 191 Ca 0.00 -0.16 -0.06 0.00 0.02 0.00 0.00 54.97 54.77 3dmk s GLU 191 Cb 0.00 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 3dmk s GLU 191 CO 0.00 0.67 0.03 0.95 0.02 0.00 0.00 175.26 176.93 3dmk s THR 192 N -0.72 4.04 0.04 3.63 -4.23 -1.26 -1.23 115.64 115.91 3dmk s THR 192 Ca 0.13 -0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 3dmk s THR 192 Cb -0.12 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 3dmk s THR 192 CO 0.03 0.38 -0.18 -0.13 -0.54 0.00 0.00 174.62 174.18 3dmk s ARG 193 N 1.44 1.21 0.63 3.99 0.52 0.27 -4.93 118.95 122.09 3dmk s ARG 193 Ca 0.05 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.30 3dmk s ARG 193 Cb -0.15 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 34.03 3dmk s ARG 193 CO 0.02 0.32 1.04 -0.51 0.02 0.00 0.00 175.30 176.19 3dmk s LEU 194 N -1.09 3.27 0.33 2.53 1.43 -1.26 -0.78 118.68 123.11 3dmk s LEU 194 Ca 0.05 1.56 -0.29 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 0.01 -1.09 1.33 -0.94 0.23 0.00 0.00 176.35 175.89 3dmk s SER 195 N -3.75 6.73 0.47 2.29 1.04 0.11 -4.59 113.70 115.99 3dmk s SER 195 Ca 0.58 2.72 0.30 0.00 0.48 0.00 0.00 55.95 60.02 3dmk s SER 195 Cb -0.13 -2.65 1.06 0.00 0.10 0.00 0.00 66.02 64.40 3dmk s SER 195 CO 0.50 -0.57 1.85 0.00 0.98 0.00 0.00 173.24 176.00 3dmk h ALA 196 N 3.40 1.00 -3.36 5.32 0.00 -1.02 -3.43 119.26 121.18 3dmk h ALA 196 Ca -0.49 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.88 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 0.66 0.00 -0.82 0.95 0.00 0.00 0.00 179.25 180.04 3dmk s THR 197 N -3.49 1.25 -0.08 0.00 -4.23 -1.25 -5.03 115.64 102.81 3dmk s THR 197 Ca 0.03 -0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 59.80 3dmk s THR 197 Cb 0.08 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 3dmk s THR 197 CO 0.55 0.38 0.65 -0.54 -0.54 0.00 0.00 174.62 175.13 3dmk s LYS 198 N 0.82 4.42 0.55 3.99 1.02 -1.25 -1.47 119.74 127.81 3dmk s LYS 198 Ca -0.11 0.78 -0.02 0.00 0.02 0.00 0.00 55.97 56.64 3dmk s LYS 198 Cb -0.15 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 3dmk s LYS 198 CO 0.02 0.08 0.81 0.20 -0.92 0.00 0.00 175.35 175.54 3dmk s GLY 199 N 0.76 1.66 0.16 -3.33 0.00 0.23 -4.75 107.32 102.05 3dmk s GLY 199 Ca 0.35 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 3dmk s GLY 199 CO 0.16 -0.74 0.34 1.09 0.00 0.00 0.00 173.10 173.95 3dmk s ARG 200 N -4.82 1.16 -0.46 2.90 1.70 -1.26 -0.57 118.95 117.61 3dmk s ARG 200 Ca 0.54 -1.02 -0.18 0.00 -0.47 0.00 0.00 55.73 54.60 3dmk s ARG 200 Cb -0.10 0.42 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 3dmk s ARG 200 CO 0.41 -0.44 0.50 -0.51 -1.08 0.00 0.00 175.30 174.17 3dmk s LEU 201 N -2.91 5.05 -0.65 -1.89 1.43 -1.26 -0.72 118.68 117.72 3dmk s LEU 201 Ca 0.12 -0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 52.07 3dmk s LEU 201 Cb 0.02 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.90 3dmk s LEU 201 CO -0.03 -0.70 1.22 -0.69 0.23 0.00 0.00 176.35 176.38 3dmk s VAL 202 N 2.22 3.89 -0.25 -1.59 1.01 -0.12 -4.39 120.40 121.17 3dmk s VAL 202 Ca 0.12 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 3dmk s VAL 202 Cb -0.19 -4.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.35 3dmk s VAL 202 CO 0.12 -1.58 0.55 -0.63 0.00 0.00 0.00 175.10 173.56 3dmk s ILE 203 N 5.28 5.05 -0.09 2.22 1.01 -1.26 -0.74 121.20 132.66 3dmk s ILE 203 Ca 0.39 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 61.99 3dmk s ILE 203 Cb -0.08 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3dmk s ILE 203 CO 0.20 0.09 -0.03 -0.89 0.00 0.00 0.00 174.94 174.31 3dmk s THR 204 N 2.22 4.01 0.19 2.92 2.01 0.03 -4.89 115.64 122.13 3dmk s THR 204 Ca 0.23 -0.35 -0.33 0.00 0.31 0.00 0.00 61.69 61.55 3dmk s THR 204 Cb -0.16 -2.68 -0.13 0.00 0.01 0.00 0.00 72.50 69.54 3dmk s THR 204 CO 0.09 0.58 1.56 -0.62 -0.69 0.00 0.00 174.62 175.54 3dmk n GLU 205 N 2.48 2.24 -3.15 4.92 1.02 -1.26 -1.07 120.64 125.82 3dmk n GLU 205 Ca -0.18 0.81 -0.39 0.00 -0.02 0.00 0.00 57.16 57.37 3dmk n GLU 205 Cb 0.53 -2.56 -0.05 0.00 -0.02 0.00 0.00 31.44 29.34 3dmk n GLU 205 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dmk s PRO 206 N 0.54 4.40 0.16 3.49 0.04 -1.26 -4.89 135.00 137.47 3dmk s PRO 206 Ca 0.75 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3dmk s PRO 206 Cb -0.64 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.47 3dmk s PRO 206 CO 0.41 0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.67 3dmk n ILE 207 N 3.66 0.83 -2.65 0.56 2.08 -1.26 -5.06 119.36 117.52 3dmk n ILE 207 Ca -0.04 0.27 -0.40 0.00 0.56 0.00 0.00 62.75 63.15 3dmk n ILE 207 Cb 0.51 -1.24 -0.05 0.00 -0.75 0.00 0.00 39.64 38.11 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 -5.67 7.44 -0.66 4.38 0.01 -1.26 -4.98 113.70 112.96 3dmk s SER 208 Ca 0.00 2.05 -0.27 0.00 1.31 0.00 0.00 55.95 59.04 3dmk s SER 208 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3dmk s SER 208 CO 0.00 -0.00 1.46 -0.44 0.41 0.00 0.00 173.24 174.67 3dmk s SER 209 N -1.14 5.93 -0.12 2.44 0.01 -1.26 -4.85 113.70 114.69 3dmk s SER 209 Ca 0.44 -0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.47 3dmk s SER 209 Cb -0.27 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.37 3dmk s SER 209 CO 0.34 -1.94 0.47 0.00 0.41 0.00 0.00 173.24 172.52 3dmk s ALA 210 N 6.67 3.48 0.36 1.44 0.00 -0.03 -4.92 121.76 128.76 3dmk s ALA 210 Ca 0.48 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 3dmk s ALA 210 Cb -0.10 -2.64 -0.10 0.00 0.00 0.00 0.00 23.12 20.28 3dmk s ALA 210 CO 0.19 -0.01 1.34 0.08 0.00 0.00 0.00 175.76 177.35 3dmk s VAL 211 N 0.66 2.57 0.15 0.00 1.01 -1.26 -0.84 120.40 122.68 3dmk s VAL 211 Ca 0.25 0.55 -0.33 0.00 0.00 0.00 0.00 61.98 62.46 3dmk s VAL 211 Cb -0.15 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 3dmk s VAL 211 CO 0.10 0.12 1.72 -2.65 0.00 0.00 0.00 175.10 174.39 3dmk n PRO 212 N 0.52 2.53 -4.57 2.72 -0.02 -1.26 -4.66 135.00 130.27 3dmk n PRO 212 Ca 0.01 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.18 3dmk n PRO 212 Cb 0.42 -2.75 -0.14 0.00 -0.02 0.00 0.00 33.50 31.00 3dmk n PRO 212 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dmk s LYS 213 N 1.76 1.16 0.35 -0.52 2.20 -0.17 -4.54 119.74 119.98 3dmk s LYS 213 Ca 0.80 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 3dmk s LYS 213 Cb -0.57 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 3dmk s LYS 213 CO 0.37 0.31 0.19 0.14 -0.36 0.00 0.00 175.35 176.00 3dmk s VAL 214 N -0.65 3.06 -1.51 4.02 -7.23 -1.26 -2.35 120.40 114.50 3dmk s VAL 214 Ca 0.05 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 3dmk s VAL 214 Cb -0.07 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 3dmk s VAL 214 CO 0.01 -0.16 2.80 0.52 -0.31 0.00 0.00 175.10 177.96 3dmk n VAL 215 N -1.23 4.59 0.00 1.32 0.31 -1.26 -4.91 118.33 117.15 3dmk n VAL 215 Ca -0.02 -3.10 0.00 0.00 -0.01 0.00 0.00 64.34 61.20 3dmk n VAL 215 Cb 0.61 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 2.98 0.00 -0.33 4.52 7.64 -1.26 -0.73 113.62 126.45 3dmk n SER 216 Ca 0.73 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.70 3dmk n SER 216 Cb 0.25 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.69 0.00 -3.43 6.46 -1.96 -0.68 115.31 116.39 3dmk h LEU 217 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3dmk h LEU 217 Cb 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 3dmk h LEU 217 CO 0.00 0.30 0.00 0.00 -0.62 0.00 0.00 178.44 178.12 3dmk n ALA 218 N -2.38 1.68 0.22 1.25 0.00 0.09 -2.24 120.51 119.14 3dmk n ALA 218 Ca 0.19 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.71 3dmk n ALA 218 Cb 0.45 -1.07 0.46 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.32 0.00 3.64 -1.33 -3.45 116.57 112.10 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 0.22 -0.58 0.12 -2.27 0.00 0.00 179.45 176.94 3dmk s PHE 220 N -3.64 -0.16 -0.09 1.91 5.36 -0.95 -1.79 117.98 118.62 3dmk s PHE 220 Ca 0.01 0.43 -0.24 0.00 -0.96 0.00 0.00 56.93 56.17 3dmk s PHE 220 Cb 0.10 -0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.82 3dmk s PHE 220 CO 0.64 -0.12 0.56 0.34 -1.46 0.00 0.00 175.22 175.17 3dmk s ASP 221 N 0.64 -0.53 -0.13 6.13 -1.08 -1.20 -5.04 116.67 115.47 3dmk s ASP 221 Ca -0.05 0.68 0.01 0.00 -0.52 0.00 0.00 52.55 52.67 3dmk s ASP 221 Cb -0.06 0.66 -0.01 0.00 -1.46 0.00 0.00 42.92 42.04 3dmk s ASP 221 CO -0.03 -0.46 -0.16 -0.04 0.52 0.00 0.00 175.17 175.00 3dmk s MET 222 N -0.83 3.27 0.07 4.34 -1.94 -1.26 -1.02 119.30 121.94 3dmk s MET 222 Ca -0.09 -0.75 0.09 0.00 -1.71 0.00 0.00 55.69 53.24 3dmk s MET 222 Cb -0.02 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 3dmk s MET 222 CO 0.06 0.17 -0.25 0.15 -0.01 0.00 0.00 175.02 175.14 3dmk s LYS 223 N 0.43 1.53 -0.37 2.03 1.02 0.17 -4.92 119.74 119.63 3dmk s LYS 223 Ca -0.12 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 54.74 3dmk s LYS 223 Cb -0.16 -1.80 0.11 0.00 -0.52 0.00 0.00 37.83 35.46 3dmk s LYS 223 CO 0.06 0.45 0.13 0.99 -0.92 0.00 0.00 175.35 176.05 3dmk s THR 224 N -0.91 1.65 0.16 2.17 2.01 -1.26 -1.07 115.64 118.38 3dmk s THR 224 Ca 0.11 -2.17 -0.09 0.00 0.31 0.00 0.00 61.69 59.84 3dmk s THR 224 Cb -0.10 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.15 3dmk s THR 224 CO 0.03 -0.71 0.47 -0.31 -0.69 0.00 0.00 174.62 173.41 3dmk s TYR 225 N 0.90 3.50 0.66 4.92 1.51 -0.17 -4.97 117.35 123.71 3dmk s TYR 225 Ca 0.13 0.80 -0.15 0.00 -1.01 0.00 0.00 57.07 56.84 3dmk s TYR 225 Cb -0.20 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 3dmk s TYR 225 CO -0.11 0.39 1.10 -1.54 -1.11 0.00 0.00 175.55 174.29 3dmk s SER 226 N -2.14 5.11 0.62 2.29 1.04 -1.26 -1.03 113.70 118.32 3dmk s SER 226 Ca 0.41 1.97 -0.19 0.00 0.48 0.00 0.00 55.95 58.62 3dmk s SER 226 Cb -0.13 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 3dmk s SER 226 CO 0.21 -1.63 1.26 -0.83 0.98 0.00 0.00 173.24 173.23 3dmk s GLY 227 N -2.67 2.81 -1.55 7.32 0.00 -1.24 -3.72 107.32 108.27 3dmk s GLY 227 Ca 0.66 1.14 -0.05 0.00 0.00 0.00 0.00 44.72 46.46 3dmk s GLY 227 CO 0.42 1.55 0.37 -1.26 0.00 0.00 0.00 173.10 174.18 3dmk n SER 228 N -1.72 -0.57 -2.41 1.64 2.88 -0.15 -4.87 113.62 108.43 3dmk n SER 228 Ca 0.15 -1.12 -0.05 0.00 -1.33 0.00 0.00 58.87 56.53 3dmk n SER 228 Cb 0.49 -2.41 -0.01 0.00 -0.75 0.00 0.00 64.21 61.53 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 -2.85 1.86 -4.37 -3.46 3.41 -1.24 -4.53 113.62 102.44 3dmk n SER 229 Ca -0.21 -1.31 -0.38 0.00 -0.26 0.00 0.00 58.87 56.71 3dmk n SER 229 Cb 0.64 0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.95 4.18 0.06 6.66 2.01 -1.26 -1.01 115.64 125.33 3dmk s THR 230 Ca 0.02 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 3dmk s THR 230 Cb -0.00 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 3dmk s THR 230 CO 0.01 0.02 0.39 -0.04 -0.69 0.00 0.00 174.62 174.31 3dmk s MET 231 N 1.53 3.76 -0.33 4.92 1.00 0.68 -4.78 119.30 126.07 3dmk s MET 231 Ca 0.03 0.17 0.02 0.00 0.00 0.00 0.00 55.69 55.91 3dmk s MET 231 Cb -0.18 -3.03 0.10 0.00 0.00 0.00 0.00 34.83 31.73 3dmk s MET 231 CO 0.04 0.58 0.08 0.00 0.00 0.00 0.00 175.02 175.72 3dmk s ALA 232 N -1.36 2.32 -0.20 3.03 0.00 -1.26 -0.92 121.76 123.38 3dmk s ALA 232 Ca 0.31 -2.19 -0.17 0.00 0.00 0.00 0.00 51.96 49.92 3dmk s ALA 232 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 3dmk s ALA 232 CO 0.17 -1.69 0.44 -0.51 0.00 0.00 0.00 175.76 174.17 3dmk s LEU 233 N 1.17 4.16 0.21 0.00 1.43 0.61 -4.94 118.68 121.32 3dmk s LEU 233 Ca 0.11 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 3dmk s LEU 233 Cb -0.18 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 3dmk s LEU 233 CO -0.15 -0.11 0.12 -0.76 0.23 0.00 0.00 176.35 175.68 3dmk s LEU 234 N 1.40 3.64 -0.41 1.79 1.02 -1.26 -0.21 118.68 124.64 3dmk s LEU 234 Ca 0.21 -0.29 0.10 0.00 0.02 0.00 0.00 54.13 54.16 3dmk s LEU 234 Cb -0.15 -2.21 0.32 0.00 0.02 0.00 0.00 46.19 44.16 3dmk s LEU 234 CO 0.09 0.02 0.70 0.00 0.02 0.00 0.00 176.35 177.18 3dmk n PRO 236 N 0.54 1.11 -3.65 0.00 -0.02 -1.26 -4.90 135.00 126.83 3dmk n PRO 236 Ca 0.25 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 3dmk n PRO 236 Cb 0.58 -2.92 -0.11 0.00 -0.02 0.00 0.00 33.50 31.04 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 9.82 -0.97 0.40 3.55 0.00 -1.26 -4.26 121.76 129.03 3dmk s ALA 237 Ca 1.06 1.30 0.08 0.00 0.00 0.00 0.00 51.96 54.40 3dmk s ALA 237 Cb -0.51 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 3dmk s ALA 237 CO 0.36 -0.75 0.37 -0.65 0.00 0.00 0.00 175.76 175.10 3dmk s GLN 238 N 2.55 2.61 0.00 0.00 -0.21 -0.99 -4.91 119.66 118.72 3dmk s GLN 238 Ca -0.00 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 53.93 3dmk s GLN 238 Cb -0.12 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.45 3dmk s GLN 238 CO -0.12 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 3dmk n GLY 239 N -1.53 1.90 3.03 3.09 0.00 -1.26 -1.00 105.19 109.42 3dmk n GLY 239 Ca 0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.22 0.99 1.61 5.04 -0.02 -4.07 117.35 118.67 3dmk s TYR 240 Ca 0.00 0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 55.08 3dmk s TYR 240 Cb 0.00 0.03 0.17 0.00 0.35 0.00 0.00 41.96 42.51 3dmk s TYR 240 CO 0.00 -0.15 1.00 -2.30 -1.34 0.00 0.00 175.55 172.76 3dmk n PRO 241 N 3.56 -0.95 -1.65 4.97 -0.02 -1.26 -0.85 135.00 138.79 3dmk n PRO 241 Ca -0.19 -0.22 -0.51 0.00 -2.02 0.00 0.00 63.50 60.56 3dmk n PRO 241 Cb 0.56 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 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 -4.37 0.44 -1.83 -1.45 0.31 -1.26 -4.82 118.33 105.36 3dmk n VAL 242 Ca 0.09 -0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 3dmk n VAL 242 Cb 0.53 -1.70 0.10 0.00 -0.91 0.00 0.00 33.84 31.86 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 4.41 1.77 -0.04 5.55 0.04 -1.26 -4.95 135.00 140.51 3dmk s PRO 243 Ca 0.97 0.13 0.07 0.00 0.04 0.00 0.00 61.00 62.21 3dmk s PRO 243 Cb -0.80 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 3dmk s PRO 243 CO 0.54 -1.74 -0.25 0.08 0.04 0.00 0.00 177.00 175.68 3dmk s VAL 244 N -3.53 2.04 -0.21 -0.36 1.01 0.46 -4.96 120.40 114.85 3dmk s VAL 244 Ca 0.63 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3dmk s VAL 244 Cb -0.12 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3dmk s VAL 244 CO 0.50 0.57 0.01 -0.36 0.00 0.00 0.00 175.10 175.82 3dmk s PHE 245 N -0.33 3.05 -0.07 5.22 0.08 -1.26 -1.55 117.98 123.13 3dmk s PHE 245 Ca 0.02 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.68 3dmk s PHE 245 Cb -0.12 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3dmk s PHE 245 CO 0.02 -0.24 -0.21 1.03 -0.10 0.00 0.00 175.22 175.71 3dmk s ARG 246 N 1.06 2.66 -0.07 0.44 0.52 0.31 -4.96 118.95 118.90 3dmk s ARG 246 Ca 0.02 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3dmk s ARG 246 Cb -0.14 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3dmk s ARG 246 CO 0.02 0.40 -0.07 -1.58 0.02 0.00 0.00 175.30 174.09 3dmk s TRP 247 N -0.19 2.93 0.06 -0.53 0.52 -1.26 -0.28 118.94 120.18 3dmk s TRP 247 Ca -0.02 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.12 3dmk s TRP 247 Cb -0.14 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 3dmk s TRP 247 CO 0.03 0.29 -0.12 0.71 0.02 0.00 0.00 176.95 177.89 3dmk s TYR 248 N -0.72 1.01 -0.12 -1.98 2.02 0.10 -0.97 117.35 116.70 3dmk s TYR 248 Ca 0.11 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3dmk s TYR 248 Cb -0.11 -0.58 -0.00 0.00 -0.40 0.00 0.00 41.96 40.87 3dmk s TYR 248 CO 0.02 0.00 -0.19 0.21 -1.57 0.00 0.00 175.55 174.02 3dmk s LYS 249 N -1.77 3.18 0.49 -0.62 2.20 0.55 -0.06 119.74 123.71 3dmk s LYS 249 Ca -0.04 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.56 3dmk s LYS 249 Cb -0.09 -2.47 -0.07 0.00 -1.51 0.00 0.00 37.83 33.68 3dmk s LYS 249 CO 0.01 0.15 1.12 -0.06 -0.36 0.00 0.00 175.35 176.21 3dmk s PHE 250 N 0.46 2.86 -0.01 4.03 0.08 -0.28 -0.80 117.98 124.32 3dmk s PHE 250 Ca -0.13 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.17 3dmk s PHE 250 Cb -0.17 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3dmk s PHE 250 CO 0.06 -1.33 0.99 0.42 -0.10 0.00 0.00 175.22 175.25 3dmk s ILE 251 N -1.70 4.84 -0.09 0.64 1.09 -0.06 -4.66 121.20 121.25 3dmk s ILE 251 Ca 0.67 2.04 -0.03 0.00 -1.10 0.00 0.00 60.65 62.23 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 0.29 0.14 0.25 1.21 -0.10 0.00 0.00 174.94 176.74 3dmk n GLU 252 N 4.00 0.00 0.00 2.79 4.07 -1.26 -0.43 120.64 129.81 3dmk n GLU 252 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 3dmk n GLU 252 Cb 0.51 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 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 0.61 2.93 3.95 8.31 0.00 -1.26 -4.99 105.19 114.74 3dmk n GLY 253 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.08 2.20 -2.26 2.61 -4.23 0.42 -4.99 115.64 108.31 3dmk s THR 254 Ca 0.00 -0.33 0.28 0.00 -1.18 0.00 0.00 61.69 60.47 3dmk s THR 254 Cb 0.00 -2.87 0.56 0.00 1.34 0.00 0.00 72.50 71.53 3dmk s THR 254 CO 0.00 0.00 1.81 0.35 -0.54 0.00 0.00 174.62 176.24 3dmk n THR 255 N -3.05 0.00 -3.07 3.99 -2.24 -1.26 -4.54 114.28 104.12 3dmk n THR 255 Ca 0.12 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 3dmk n THR 255 Cb 0.60 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.10 4.29 0.01 -0.78 1.81 -1.26 -4.99 118.95 115.94 3dmk s ARG 256 Ca 0.37 0.92 0.04 0.00 -1.72 0.00 0.00 55.73 55.34 3dmk s ARG 256 Cb 0.21 -2.90 -0.01 0.00 -0.45 0.00 0.00 34.95 31.80 3dmk s ARG 256 CO 0.37 0.40 -0.13 -1.59 -0.68 0.00 0.00 175.30 173.67 3dmk s LYS 257 N -1.93 0.97 0.06 3.54 -2.85 -1.26 -0.88 119.74 117.39 3dmk s LYS 257 Ca 0.43 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.85 3dmk s LYS 257 Cb -0.17 -0.95 -0.04 0.00 -2.06 0.00 0.00 37.83 34.60 3dmk s LYS 257 CO 0.21 0.25 0.02 -0.65 0.10 0.00 0.00 175.35 175.29 3dmk s GLN 258 N -0.67 2.73 0.29 1.78 -0.21 0.02 -4.94 119.66 118.67 3dmk s GLN 258 Ca 0.03 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 3dmk s GLN 258 Cb -0.06 -2.64 -0.10 0.00 1.00 0.00 0.00 33.01 31.21 3dmk s GLN 258 CO 0.00 0.58 1.17 0.00 -2.12 0.00 0.00 175.29 174.92 3dmk s ALA 259 N -1.26 3.44 0.26 6.09 0.00 -1.26 -0.33 121.76 128.70 3dmk s ALA 259 Ca 0.25 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 3dmk s ALA 259 Cb -0.12 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3dmk s ALA 259 CO 0.17 -0.31 1.29 0.08 0.00 0.00 0.00 175.76 176.98 3dmk s VAL 260 N -1.14 3.04 -0.43 0.00 1.01 -0.14 -4.78 120.40 117.96 3dmk s VAL 260 Ca 0.46 0.94 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 3dmk s VAL 260 Cb -0.34 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3dmk s VAL 260 CO 0.45 0.18 0.57 -0.69 0.00 0.00 0.00 175.10 175.60 3dmk s VAL 261 N -0.48 4.93 0.31 2.92 1.01 -1.26 -4.96 120.40 122.86 3dmk s VAL 261 Ca 0.53 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 3dmk s VAL 261 Cb -0.37 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 31.78 3dmk s VAL 261 CO 0.44 -0.51 0.96 -0.76 0.00 0.00 0.00 175.10 175.23 3dmk s LEU 262 N 2.56 4.40 0.00 3.92 1.43 -1.26 -4.78 118.68 124.95 3dmk s LEU 262 Ca 0.19 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 3dmk s LEU 262 Cb -0.15 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3dmk s LEU 262 CO 0.17 -0.06 0.00 -0.46 0.23 0.00 0.00 176.35 176.22 3dmk n ASN 263 N 0.72 3.88 0.03 2.29 6.94 0.10 -5.01 115.26 124.22 3dmk n ASN 263 Ca 0.01 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.37 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 0.45 -0.00 0.53 3.32 -2.02 -3.41 116.42 115.29 3dmk h ASP 264 Ca 0.00 -0.85 -0.10 0.00 0.02 0.00 0.00 57.03 56.10 3dmk h ASP 264 Cb 0.00 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.41 3dmk h ASP 264 CO 0.00 1.74 -0.40 -0.09 -1.72 0.00 0.00 179.24 178.77 3dmk h ARG 265 N 0.08 0.28 -5.10 3.56 2.43 -1.97 -3.44 114.38 110.22 3dmk h ARG 265 Ca -0.37 -0.30 -0.65 0.00 -0.81 0.00 0.00 59.98 57.85 3dmk h ARG 265 Cb 2.05 0.08 -0.24 0.00 -0.42 0.00 0.00 29.97 31.44 3dmk h ARG 265 CO 0.12 1.00 -0.68 0.08 -1.51 0.00 0.00 179.97 178.98 3dmk s VAL 266 N -3.15 3.74 0.14 0.20 1.01 -1.26 -0.86 120.40 120.22 3dmk s VAL 266 Ca -0.15 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3dmk s VAL 266 Cb 0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3dmk s VAL 266 CO 0.78 0.43 -0.13 -0.75 0.00 0.00 0.00 175.10 175.43 3dmk s LYS 267 N 1.09 1.07 -0.26 2.72 2.20 -0.20 -0.72 119.74 125.63 3dmk s LYS 267 Ca 0.02 -1.34 0.02 0.00 -0.36 0.00 0.00 55.97 54.31 3dmk s LYS 267 Cb -0.14 -0.85 0.05 0.00 -1.51 0.00 0.00 37.83 35.38 3dmk s LYS 267 CO 0.01 0.15 -0.09 -1.14 -0.36 0.00 0.00 175.35 173.91 3dmk s GLN 268 N -3.08 2.37 -0.47 4.03 0.74 -1.26 -0.59 119.66 121.40 3dmk s GLN 268 Ca 0.13 -1.27 -0.18 0.00 0.05 0.00 0.00 55.36 54.08 3dmk s GLN 268 Cb -0.02 -2.93 0.05 0.00 1.10 0.00 0.00 33.01 31.20 3dmk s GLN 268 CO 0.03 -0.54 0.53 0.08 -0.55 0.00 0.00 175.29 174.83 3dmk s VAL 269 N 1.16 5.00 0.00 1.34 1.01 -0.07 -4.92 120.40 123.92 3dmk s VAL 269 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3dmk s VAL 269 Cb -0.19 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3dmk s VAL 269 CO -0.05 -0.64 0.00 -0.24 0.00 0.00 0.00 175.10 174.17 3dmk n SER 270 N 5.83 0.00 0.01 3.32 2.88 -1.26 -0.96 113.62 123.44 3dmk n SER 270 Ca -0.07 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 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 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 -4.79 105.19 102.17 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 -3.19 5.05 -0.18 2.61 2.01 -0.14 -4.14 115.64 117.66 3dmk s THR 272 Ca 0.03 1.32 -0.19 0.00 0.31 0.00 0.00 61.69 63.17 3dmk s THR 272 Cb 0.15 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 3dmk s THR 272 CO 0.83 0.20 0.52 -0.22 -0.69 0.00 0.00 174.62 175.26 3dmk s LEU 273 N 1.20 4.18 -0.17 4.42 2.96 0.70 -0.89 118.68 131.08 3dmk s LEU 273 Ca 0.34 0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 54.93 3dmk s LEU 273 Cb -0.17 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 3dmk s LEU 273 CO 0.14 -0.14 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.38 3dmk s ILE 274 N 1.39 3.95 -0.24 6.68 1.01 0.24 -0.28 121.20 133.94 3dmk s ILE 274 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3dmk s ILE 274 Cb -0.15 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.60 3dmk s ILE 274 CO 0.10 0.47 -0.10 -0.63 0.00 0.00 0.00 174.94 174.78 3dmk s ILE 275 N 0.58 2.52 0.38 2.92 1.01 -0.09 -1.03 121.20 127.49 3dmk s ILE 275 Ca -0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 3dmk s ILE 275 Cb -0.14 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3dmk s ILE 275 CO 0.02 0.17 0.70 -0.54 0.00 0.00 0.00 174.94 175.29 3dmk s LYS 276 N 1.24 3.68 -0.88 2.79 1.02 -0.04 -0.23 119.74 127.32 3dmk s LYS 276 Ca -0.02 0.24 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 3dmk s LYS 276 Cb -0.17 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3dmk s LYS 276 CO -0.06 0.02 0.68 -0.25 -0.92 0.00 0.00 175.35 174.82 3dmk n ASP 277 N -1.39 -5.99 -4.76 2.83 8.00 -0.78 -4.79 116.55 109.67 3dmk n ASP 277 Ca 0.00 -0.67 -0.38 0.00 0.71 0.00 0.00 54.79 54.45 3dmk n ASP 277 Cb 0.54 -3.35 0.01 0.00 -0.02 0.00 0.00 41.12 38.30 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 -3.11 3.03 0.17 2.24 0.00 -0.18 -4.80 121.76 119.10 3dmk s ALA 278 Ca 0.12 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.29 3dmk s ALA 278 Cb -0.04 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3dmk s ALA 278 CO 0.84 -0.97 -0.04 0.14 0.00 0.00 0.00 175.76 175.73 3dmk s VAL 279 N -1.36 0.92 0.44 0.00 -7.23 -1.26 -0.98 120.40 110.93 3dmk s VAL 279 Ca 0.64 -2.01 0.09 0.00 -1.81 0.00 0.00 61.98 58.89 3dmk s VAL 279 Cb -0.36 -2.03 0.27 0.00 0.56 0.00 0.00 36.38 34.82 3dmk s VAL 279 CO 0.44 -0.58 2.08 0.58 -0.31 0.00 0.00 175.10 177.32 3dmk h VAL 280 N 2.70 1.07 -0.05 1.32 2.07 -1.84 0.28 116.25 121.80 3dmk h VAL 280 Ca -0.37 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3dmk h VAL 280 Cb 1.20 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3dmk h VAL 280 CO 0.64 0.08 0.07 -0.33 0.02 0.00 0.00 177.57 178.04 3dmk h GLU 281 N 0.42 0.00 0.00 1.57 3.07 -1.96 0.11 114.58 117.78 3dmk h GLU 281 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3dmk h GLU 281 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 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 -3.76 0.04 -4.76 1.42 8.00 0.09 -4.83 116.55 112.75 3dmk n ASP 282 Ca -0.02 0.51 -0.38 0.00 0.71 0.00 0.00 54.79 55.62 3dmk n ASP 282 Cb 0.16 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.77 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 -3.08 5.47 0.00 -2.24 0.01 0.02 -4.90 113.70 108.98 3dmk s SER 283 Ca 0.10 2.57 0.00 0.00 1.31 0.00 0.00 55.95 59.93 3dmk s SER 283 Cb 0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.74 3dmk s SER 283 CO 0.38 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 173.23 3dmk n GLY 284 N 0.62 -0.69 3.48 3.44 0.00 0.65 -5.00 105.19 107.69 3dmk n GLY 284 Ca 0.10 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 3.19 -0.14 1.61 2.20 -1.26 -0.17 119.74 123.17 3dmk s LYS 285 Ca 0.00 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.68 3dmk s LYS 285 Cb 0.00 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 3dmk s LYS 285 CO 0.00 -0.60 0.12 0.71 -0.36 0.00 0.00 175.35 175.22 3dmk s TYR 286 N 1.68 3.48 -0.13 4.03 2.02 0.43 -1.13 117.35 127.72 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 -0.19 -1.17 -1.57 0.00 0.00 175.55 173.26 3dmk s LEU 287 N -0.56 1.97 -0.20 -1.29 2.96 0.91 -0.08 118.68 122.39 3dmk s LEU 287 Ca 0.12 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 3dmk s LEU 287 Cb -0.12 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3dmk s LEU 287 CO 0.02 0.05 0.07 0.00 -1.32 0.00 0.00 176.35 175.17 3dmk s VAL 289 N 0.73 3.97 -0.21 0.00 1.01 0.61 -1.09 120.40 125.42 3dmk s VAL 289 Ca 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3dmk s VAL 289 Cb -0.13 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.59 3dmk s VAL 289 CO 0.02 0.53 -0.09 0.54 0.00 0.00 0.00 175.10 176.09 3dmk s VAL 290 N -0.05 1.64 0.21 2.92 0.11 0.41 -0.53 120.40 125.11 3dmk s VAL 290 Ca 0.02 -1.06 0.09 0.00 -2.93 0.00 0.00 61.98 58.10 3dmk s VAL 290 Cb -0.13 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3dmk s VAL 290 CO 0.02 0.12 -0.07 0.20 -3.33 0.00 0.00 175.10 172.05 3dmk s ASN 291 N 1.39 4.33 0.21 3.54 -0.87 -0.59 -0.71 114.94 122.23 3dmk s ASN 291 Ca -0.02 -0.62 -0.03 0.00 -1.57 0.00 0.00 52.86 50.62 3dmk s ASN 291 Cb -0.17 -0.75 0.01 0.00 -0.02 0.00 0.00 41.25 40.33 3dmk s ASN 291 CO -0.08 0.07 0.33 -0.46 -2.57 0.00 0.00 177.10 174.39 3dmk n ASN 292 N -0.31 -0.93 0.29 -1.22 6.94 0.36 -0.41 115.26 119.99 3dmk n ASN 292 Ca -0.09 -2.03 0.15 0.00 -0.02 0.00 0.00 54.58 52.59 3dmk n ASN 292 Cb 0.57 1.66 0.90 0.00 -2.36 0.00 0.00 39.78 40.54 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 1.13 0.00 0.00 0.53 4.64 -1.93 -3.16 113.55 114.76 3dmk h SER 293 Ca -0.17 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 3dmk h SER 293 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3dmk h SER 293 CO 0.22 0.00 -0.88 0.58 -0.87 0.00 0.00 176.83 175.88 3dmk h VAL 294 N 0.00 0.53 -2.18 0.95 2.07 -1.92 -3.51 116.25 112.18 3dmk h VAL 294 Ca 0.01 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 3dmk h VAL 294 Cb 0.04 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3dmk h VAL 294 CO -0.00 0.18 0.01 0.61 0.02 0.00 0.00 177.57 178.38 3dmk n GLY 295 N 1.52 2.48 3.06 2.17 0.00 -1.20 -5.05 105.19 108.18 3dmk n GLY 295 Ca -0.20 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.25 -0.13 0.25 -0.02 0.00 -1.26 -0.48 107.32 104.42 3dmk s GLY 296 Ca 0.03 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.56 3dmk s GLY 296 CO 0.02 0.82 -0.11 1.85 0.00 0.00 0.00 173.10 175.68 3dmk s GLU 297 N 0.63 1.46 -0.04 2.90 2.56 0.11 -4.99 118.70 121.34 3dmk s GLU 297 Ca -0.04 -1.69 -0.07 0.00 0.00 0.00 0.00 54.97 53.17 3dmk s GLU 297 Cb -0.06 -1.21 0.01 0.00 2.00 0.00 0.00 34.13 34.88 3dmk s GLU 297 CO -0.03 0.14 0.16 -1.54 -0.56 0.00 0.00 175.26 173.43 3dmk s SER 298 N -3.39 -0.12 0.16 -1.70 1.04 -1.26 -0.44 113.70 107.99 3dmk s SER 298 Ca 0.26 0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.93 3dmk s SER 298 Cb 0.01 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3dmk s SER 298 CO 0.10 -0.17 -0.15 0.68 0.98 0.00 0.00 173.24 174.68 3dmk s VAL 299 N -0.40 1.60 0.19 5.02 -7.23 -0.25 -4.93 120.40 114.39 3dmk s VAL 299 Ca -0.05 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3dmk s VAL 299 Cb -0.03 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 3dmk s VAL 299 CO 0.01 -0.45 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.60 3dmk s GLU 300 N -3.06 1.26 -0.08 4.82 2.02 -0.74 -0.49 118.70 122.43 3dmk s GLU 300 Ca 0.15 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 53.56 3dmk s GLU 300 Cb -0.03 -1.00 0.05 0.00 0.10 0.00 0.00 34.13 33.24 3dmk s GLU 300 CO 0.05 0.16 0.17 0.99 0.02 0.00 0.00 175.26 176.65 3dmk s THR 301 N -3.03 -0.21 -0.66 3.63 2.01 0.89 -3.25 115.64 115.02 3dmk s THR 301 Ca 0.21 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 3dmk s THR 301 Cb -0.00 -0.30 0.09 0.00 0.01 0.00 0.00 72.50 72.30 3dmk s THR 301 CO 0.05 0.12 0.87 -0.69 -0.69 0.00 0.00 174.62 174.28 3dmk s VAL 302 N 1.94 4.59 -0.20 3.82 1.01 -0.19 -0.43 120.40 130.94 3dmk s VAL 302 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3dmk s VAL 302 Cb -0.12 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 3dmk s VAL 302 CO -0.06 -1.32 0.19 -0.22 0.00 0.00 0.00 175.10 173.69 3dmk s LEU 303 N 3.31 4.19 -0.16 3.92 2.96 0.76 -0.66 118.68 133.00 3dmk s LEU 303 Ca 0.18 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3dmk s LEU 303 Cb -0.19 -2.17 0.04 0.00 0.50 0.00 0.00 46.19 44.37 3dmk s LEU 303 CO 0.07 0.12 -0.03 0.42 -1.32 0.00 0.00 176.35 175.60 3dmk s THR 304 N 0.63 0.95 -0.12 3.68 -4.23 -0.23 -0.25 115.64 116.07 3dmk s THR 304 Ca 0.10 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.89 3dmk s THR 304 Cb -0.12 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.48 3dmk s THR 304 CO 0.01 0.07 0.37 -0.69 -0.54 0.00 0.00 174.62 173.85 3dmk s VAL 305 N 1.70 5.22 0.77 2.29 1.01 -1.26 -0.99 120.40 129.13 3dmk s VAL 305 Ca 0.01 0.73 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 3dmk s VAL 305 Cb -0.15 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.62 3dmk s VAL 305 CO -0.07 0.41 1.10 0.42 0.00 0.00 0.00 175.10 176.96 3dmk s THR 306 N 0.19 2.15 -0.26 3.92 -4.23 -0.20 -4.61 115.64 112.61 3dmk s THR 306 Ca 0.21 -0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.43 3dmk s THR 306 Cb -0.14 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.83 3dmk s THR 306 CO 0.08 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.73 3dmk s ALA 307 N -3.42 -1.69 0.19 3.99 0.00 0.78 -3.71 121.76 117.90 3dmk s ALA 307 Ca 0.63 2.07 -0.32 0.00 0.00 0.00 0.00 51.96 54.33 3dmk s ALA 307 Cb -0.09 -1.51 -0.15 0.00 0.00 0.00 0.00 23.12 21.36 3dmk s ALA 307 CO 0.47 -0.72 1.22 -2.30 0.00 0.00 0.00 175.76 174.43 3dmk n PRO 308 N 5.11 1.36 -2.72 0.00 -0.02 -1.26 -0.58 135.00 136.89 3dmk n PRO 308 Ca -0.14 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 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 0.54 4.56 -0.19 2.45 1.43 -1.26 -3.60 118.68 122.60 3dmk s LEU 309 Ca 0.72 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 55.58 3dmk s LEU 309 Cb -0.81 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 41.87 3dmk s LEU 309 CO 0.52 0.01 0.47 -0.55 0.23 0.00 0.00 176.35 177.03 3dmk s SER 310 N -0.47 -0.59 0.29 2.29 0.15 0.12 -4.71 113.70 110.77 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 0.92 -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 1.22 2.79 -0.29 5.45 0.00 -1.26 -0.73 121.76 128.94 3dmk s ALA 311 Ca -0.08 -1.89 -0.14 0.00 0.00 0.00 0.00 51.96 49.85 3dmk s ALA 311 Cb -0.07 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.90 3dmk s ALA 311 CO -0.11 0.26 0.74 0.21 0.00 0.00 0.00 175.76 176.86 3dmk s LYS 312 N -3.53 0.60 -0.16 0.00 2.20 0.71 -4.66 119.74 114.91 3dmk s LYS 312 Ca 0.30 1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 56.98 3dmk s LYS 312 Cb -0.04 0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 3dmk s LYS 312 CO 0.15 -0.15 0.17 0.42 -0.36 0.00 0.00 175.35 175.59 3dmk s ILE 313 N 1.97 5.41 -0.21 5.43 1.01 -1.26 -0.15 121.20 133.39 3dmk s ILE 313 Ca -0.08 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3dmk s ILE 313 Cb -0.07 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 3dmk s ILE 313 CO -0.19 0.50 -0.07 -0.62 0.00 0.00 0.00 174.94 174.56 3dmk s ASP 314 N -0.19 4.07 0.45 3.58 2.15 0.40 -3.58 116.67 123.55 3dmk s ASP 314 Ca 0.13 -0.44 -0.01 0.00 0.43 0.00 0.00 52.55 52.66 3dmk s ASP 314 Cb -0.12 -1.69 -0.01 0.00 -0.30 0.00 0.00 42.92 40.80 3dmk s ASP 314 CO 0.02 -0.01 0.68 -2.16 -0.17 0.00 0.00 175.17 173.53 3dmk s PRO 315 N 1.42 3.14 0.31 4.34 0.04 -1.26 -1.25 135.00 141.74 3dmk s PRO 315 Ca 0.05 -0.37 0.05 0.00 0.04 0.00 0.00 61.00 60.77 3dmk s PRO 315 Cb -0.14 -2.53 0.51 0.00 0.04 0.00 0.00 34.50 32.37 3dmk s PRO 315 CO -0.05 -0.25 1.77 -1.35 0.04 0.00 0.00 177.00 177.16 3dmk h PRO 316 N 0.38 0.39 -2.66 0.56 0.11 -1.87 -3.43 132.00 125.49 3dmk h PRO 316 Ca -0.47 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 65.40 3dmk h PRO 316 Cb 1.24 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.10 3dmk h PRO 316 CO 0.58 0.61 -0.17 -0.08 -0.21 0.00 0.00 178.00 178.73 3dmk s THR 317 N -4.52 0.01 0.00 -1.15 -1.32 -1.26 -1.40 115.64 106.00 3dmk s THR 317 Ca -0.06 -0.08 -0.09 0.00 -1.21 0.00 0.00 61.69 60.25 3dmk s THR 317 Cb 0.14 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 70.48 3dmk s THR 317 CO 0.77 -0.04 0.19 0.00 -2.21 0.00 0.00 174.62 173.33 3dmk s GLN 318 N -0.11 0.55 -0.25 7.08 -2.07 -0.79 -4.96 119.66 119.11 3dmk s GLN 318 Ca -0.03 -0.37 -0.02 0.00 -1.82 0.00 0.00 55.36 53.13 3dmk s GLN 318 Cb -0.03 0.23 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 3dmk s GLN 318 CO 0.02 -0.14 -0.05 0.99 -1.32 0.00 0.00 175.29 174.78 3dmk s THR 319 N -1.47 2.87 0.02 3.63 2.01 -1.26 -0.38 115.64 121.06 3dmk s THR 319 Ca -0.14 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 60.86 3dmk s THR 319 Cb -0.06 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 3dmk s THR 319 CO 0.02 0.16 -0.21 0.68 -0.69 0.00 0.00 174.62 174.57 3dmk s VAL 320 N 1.31 2.53 0.38 3.82 -7.23 -0.62 -4.71 120.40 115.89 3dmk s VAL 320 Ca -0.01 -1.17 -0.21 0.00 -1.81 0.00 0.00 61.98 58.78 3dmk s VAL 320 Cb -0.17 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 3dmk s VAL 320 CO -0.04 0.41 0.91 -1.81 -0.31 0.00 0.00 175.10 174.26 3dmk s ASP 321 N -1.17 7.01 0.27 4.85 1.01 -1.26 -0.45 116.67 126.93 3dmk s ASP 321 Ca 0.13 1.66 -0.30 0.00 0.71 0.00 0.00 52.55 54.75 3dmk s ASP 321 Cb -0.10 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 3dmk s ASP 321 CO 0.03 -0.26 1.27 0.49 0.21 0.00 0.00 175.17 176.91 3dmk n PHE 322 N -0.28 1.95 0.00 4.23 3.72 -1.26 -1.44 117.46 124.37 3dmk n PHE 322 Ca 0.05 0.54 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 3dmk n PHE 322 Cb 0.53 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.68 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 1.55 3.06 3.90 1.37 0.00 0.29 -4.78 105.19 110.58 3dmk n GLY 323 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 0.43 1.61 1.81 -0.52 -4.11 118.95 121.47 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 32.02 3dmk s ARG 324 CO 0.00 -0.16 0.96 -1.25 -0.68 0.00 0.00 175.30 174.18 3dmk s PRO 325 N -4.48 4.19 -0.09 3.54 0.04 -1.24 -0.92 135.00 136.04 3dmk s PRO 325 Ca 0.48 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.73 3dmk s PRO 325 Cb -0.10 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3dmk s PRO 325 CO 0.41 -0.07 -0.18 0.00 0.04 0.00 0.00 177.00 177.20 3dmk s ALA 326 N -2.10 1.75 -0.14 8.56 0.00 -0.23 -4.93 121.76 124.66 3dmk s ALA 326 Ca 0.62 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3dmk s ALA 326 Cb -0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3dmk s ALA 326 CO 0.15 0.18 -0.14 0.08 0.00 0.00 0.00 175.76 176.03 3dmk s VAL 327 N 0.54 2.89 -0.10 0.00 1.01 -1.26 -0.62 120.40 122.86 3dmk s VAL 327 Ca -0.16 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3dmk s VAL 327 Cb -0.17 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3dmk s VAL 327 CO 0.06 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.12 3dmk s PHE 328 N 0.57 2.63 -0.18 5.22 0.08 0.22 -4.56 117.98 121.96 3dmk s PHE 328 Ca -0.09 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 3dmk s PHE 328 Cb -0.16 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3dmk s PHE 328 CO 0.04 -0.25 -0.13 0.99 -0.10 0.00 0.00 175.22 175.76 3dmk s THR 329 N 0.14 2.75 -0.37 0.64 2.01 -0.38 -0.70 115.64 119.73 3dmk s THR 329 Ca -0.10 -0.72 -0.19 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 0.57 0.00 -0.69 0.00 0.00 174.62 175.06 3dmk s GLN 331 N 2.56 4.09 0.04 0.00 -1.52 0.78 -4.84 119.66 120.77 3dmk s GLN 331 Ca 0.21 -0.19 0.01 0.00 -1.95 0.00 0.00 55.36 53.44 3dmk s GLN 331 Cb -0.15 -3.54 -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 1.12 0.53 0.09 0.91 -0.85 -1.26 -0.21 117.35 117.68 3dmk s TYR 332 Ca 0.10 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.09 3dmk s TYR 332 Cb -0.14 -0.33 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 3dmk s TYR 332 CO 0.05 -0.15 -0.12 0.95 -1.52 0.00 0.00 175.55 174.76 3dmk s THR 333 N -1.82 1.01 0.00 -3.49 -4.23 0.09 -4.99 115.64 102.21 3dmk s THR 333 Ca -0.09 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3dmk s THR 333 Cb -0.07 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.53 3dmk s THR 333 CO -0.01 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 3dmk n GLY 334 N 0.83 3.84 3.18 3.99 0.00 -1.24 -0.71 105.19 115.08 3dmk n GLY 334 Ca -0.18 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.35 0.51 1.61 2.47 0.26 -4.48 114.94 114.96 3dmk s ASN 335 Ca 0.00 0.66 -0.05 0.00 0.42 0.00 0.00 52.86 53.89 3dmk s ASN 335 Cb 0.00 0.62 -0.02 0.00 -1.45 0.00 0.00 41.25 40.40 3dmk s ASN 335 CO 0.00 -0.14 0.81 -2.16 -3.72 0.00 0.00 177.10 171.89 3dmk s PRO 336 N 0.62 3.31 -0.21 0.43 0.04 -1.26 -0.16 135.00 137.76 3dmk s PRO 336 Ca -0.04 0.07 -0.05 0.00 0.04 0.00 0.00 61.00 61.02 3dmk s PRO 336 Cb -0.05 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3dmk s PRO 336 CO -0.04 -0.36 -0.00 0.42 0.04 0.00 0.00 177.00 177.06 3dmk s ILE 337 N -2.79 3.84 -0.22 0.56 -1.09 -1.26 -4.71 121.20 115.52 3dmk s ILE 337 Ca 0.49 -0.34 0.12 0.00 -2.23 0.00 0.00 60.65 58.69 3dmk s ILE 337 Cb -0.10 -2.75 -0.22 0.00 -1.58 0.00 0.00 42.46 37.81 3dmk s ILE 337 CO 0.44 0.41 -0.04 1.17 -1.23 0.00 0.00 174.94 175.69 3dmk n LYS 338 N 4.53 0.70 -3.34 2.79 3.00 -0.84 -4.96 118.16 120.04 3dmk n LYS 338 Ca -0.17 0.05 -0.08 0.00 -0.00 0.00 0.00 58.31 58.10 3dmk n LYS 338 Cb 0.51 -1.51 -0.08 0.00 0.00 0.00 0.00 35.03 33.96 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 -2.49 -0.63 -0.41 3.15 -4.23 -0.19 -5.01 115.64 105.83 3dmk s THR 339 Ca -0.19 -0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.11 3dmk s THR 339 Cb 0.07 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 73.10 3dmk s THR 339 CO 0.74 -0.11 0.31 -0.69 -0.54 0.00 0.00 174.62 174.32 3dmk s VAL 340 N 2.57 5.24 0.02 2.29 1.01 -1.26 -1.21 120.40 129.06 3dmk s VAL 340 Ca 0.13 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3dmk s VAL 340 Cb -0.15 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3dmk s VAL 340 CO -0.16 -0.30 -0.10 -0.94 0.00 0.00 0.00 175.10 173.60 3dmk s SER 341 N 1.70 1.21 0.45 3.32 1.04 -0.15 -4.11 113.70 117.16 3dmk s SER 341 Ca 0.06 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3dmk s SER 341 Cb -0.19 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3dmk s SER 341 CO 0.10 0.03 0.64 0.26 0.98 0.00 0.00 173.24 175.25 3dmk s TRP 342 N -0.61 3.01 0.13 5.02 0.52 -0.53 -0.34 118.94 126.12 3dmk s TRP 342 Ca 0.01 -0.06 -0.19 0.00 0.02 0.00 0.00 56.10 55.88 3dmk s TRP 342 Cb -0.06 -2.39 0.05 0.00 -1.15 0.00 0.00 33.47 29.92 3dmk s TRP 342 CO 0.00 -0.45 0.47 1.41 0.02 0.00 0.00 176.95 178.40 3dmk s MET 343 N -4.49 1.12 -0.07 4.98 1.75 0.45 -3.51 119.30 119.52 3dmk s MET 343 Ca 0.52 -0.59 -0.03 0.00 -1.25 0.00 0.00 55.69 54.34 3dmk s MET 343 Cb -0.10 0.50 0.04 0.00 2.84 0.00 0.00 34.83 38.11 3dmk s MET 343 CO 0.36 -0.45 0.14 0.21 -0.65 0.00 0.00 175.02 174.62 3dmk s LYS 344 N -3.63 0.04 -1.10 4.11 2.36 0.22 -0.87 119.74 120.87 3dmk s LYS 344 Ca 0.01 0.46 -0.10 0.00 -2.55 0.00 0.00 55.97 53.79 3dmk s LYS 344 Cb 0.01 -0.26 0.01 0.00 -1.05 0.00 0.00 37.83 36.54 3dmk s LYS 344 CO -0.11 -0.25 0.18 -0.25 1.55 0.00 0.00 175.35 176.47 3dmk n ASP 345 N 4.86 -0.62 0.00 1.43 8.00 -0.07 -1.80 116.55 128.34 3dmk n ASP 345 Ca -0.14 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3dmk n ASP 345 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 -2.09 2.36 3.77 0.44 0.00 -1.26 -4.76 105.19 103.65 3dmk n GLY 346 Ca -0.19 -0.48 -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 4.42 0.65 1.61 -0.14 -0.74 -4.94 119.74 120.59 3dmk s LYS 347 Ca 0.00 1.58 -0.11 0.00 -1.36 0.00 0.00 55.97 56.07 3dmk s LYS 347 Cb 0.00 -2.83 -0.02 0.00 -1.68 0.00 0.00 37.83 33.30 3dmk s LYS 347 CO 0.00 0.07 1.05 0.00 -0.76 0.00 0.00 175.35 175.71 3dmk s ALA 348 N -1.47 2.98 0.48 5.17 0.00 -1.26 -0.61 121.76 127.05 3dmk s ALA 348 Ca 0.51 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.42 3dmk s ALA 348 Cb -0.25 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3dmk s ALA 348 CO 0.31 -0.87 0.10 0.96 0.00 0.00 0.00 175.76 176.26 3dmk s ILE 349 N -3.18 1.58 -0.70 0.00 -4.36 -1.23 -4.75 121.20 108.57 3dmk s ILE 349 Ca 0.56 -1.87 0.26 0.00 -0.26 0.00 0.00 60.65 59.34 3dmk s ILE 349 Cb -0.12 -2.45 0.29 0.00 1.25 0.00 0.00 42.46 41.43 3dmk s ILE 349 CO 0.54 0.00 1.77 1.23 0.24 0.00 0.00 174.94 178.72 3dmk h GLY 350 N 1.35 0.00 -4.72 6.27 0.00 -1.99 -3.44 103.07 100.54 3dmk h GLY 350 Ca -0.43 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.36 3dmk h GLY 350 CO 0.72 0.00 0.70 -1.58 0.00 0.00 0.00 176.54 176.38 3dmk s HIS 351 N -3.12 3.16 -0.13 5.60 5.04 -1.26 -4.92 115.29 119.66 3dmk s HIS 351 Ca 0.10 1.11 0.16 0.00 -1.54 0.00 0.00 55.06 54.89 3dmk s HIS 351 Cb 0.12 -3.50 0.39 0.00 0.04 0.00 0.00 32.58 29.63 3dmk s HIS 351 CO 0.59 -1.67 1.19 -1.13 -2.34 0.00 0.00 174.74 171.37 3dmk n SER 352 N 4.88 1.47 -4.40 9.88 3.41 -1.26 -1.46 113.62 126.14 3dmk n SER 352 Ca 0.11 -3.16 -0.26 0.00 -0.26 0.00 0.00 58.87 55.31 3dmk n SER 352 Cb 0.45 -0.43 -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 -2.06 1.45 0.18 4.33 0.41 -1.26 -4.68 118.70 117.07 3dmk s GLU 353 Ca 0.34 -1.49 -0.17 0.00 -0.41 0.00 0.00 54.97 53.24 3dmk s GLU 353 Cb 0.35 -1.71 0.14 0.00 -1.78 0.00 0.00 34.13 31.13 3dmk s GLU 353 CO -0.09 0.37 1.63 0.66 -0.49 0.00 0.00 175.26 177.34 3dmk h SER 354 N 3.24 -0.68 -3.58 -0.19 4.64 -1.90 -3.38 113.55 111.70 3dmk h SER 354 Ca -0.45 0.17 -0.66 0.00 -0.47 0.00 0.00 61.79 60.37 3dmk h SER 354 Cb 1.21 0.39 -0.16 0.00 -0.31 0.00 0.00 62.40 63.52 3dmk h SER 354 CO 0.48 -0.23 0.03 -0.69 -0.87 0.00 0.00 176.83 175.55 3dmk s VAL 355 N -6.16 4.91 -0.13 0.95 1.01 -1.26 -2.11 120.40 117.61 3dmk s VAL 355 Ca -0.14 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 3dmk s VAL 355 Cb 0.16 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3dmk s VAL 355 CO 0.71 -0.51 0.60 -0.22 0.00 0.00 0.00 175.10 175.68 3dmk s LEU 356 N 2.60 4.23 -0.22 3.92 1.98 0.12 -4.97 118.68 126.34 3dmk s LEU 356 Ca 0.20 0.93 -0.00 0.00 -2.89 0.00 0.00 54.13 52.36 3dmk s LEU 356 Cb -0.15 -2.89 0.06 0.00 0.66 0.00 0.00 46.19 43.87 3dmk s LEU 356 CO 0.17 -0.14 -0.03 -0.60 -1.89 0.00 0.00 176.35 173.86 3dmk s ARG 357 N 1.19 1.32 -0.21 1.98 6.06 -1.26 -0.61 118.95 127.42 3dmk s ARG 357 Ca 0.30 -0.81 -0.26 0.00 -2.50 0.00 0.00 55.73 52.47 3dmk s ARG 357 Cb -0.16 -2.44 -0.01 0.00 0.06 0.00 0.00 34.95 32.40 3dmk s ARG 357 CO 0.13 -0.61 0.87 0.42 -2.50 0.00 0.00 175.30 173.61 3dmk s ILE 358 N 1.54 4.82 0.14 4.11 1.01 0.21 -4.96 121.20 128.08 3dmk s ILE 358 Ca -0.04 1.68 -0.03 0.00 0.00 0.00 0.00 60.65 62.26 3dmk s ILE 358 Cb -0.18 -4.16 -0.17 0.00 0.01 0.00 0.00 42.46 37.96 3dmk s ILE 358 CO -0.07 -0.05 1.33 -0.33 0.00 0.00 0.00 174.94 175.82 3dmk h GLU 359 N 7.50 0.38 -1.76 2.79 5.08 -1.90 -0.59 114.58 126.09 3dmk h GLU 359 Ca -0.25 -0.40 -0.17 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 30.17 3dmk h GLU 359 CO 0.88 1.07 -0.51 0.45 -1.00 0.00 0.00 179.01 179.89 3dmk s SER 360 N -7.04 0.33 0.44 1.42 0.15 -1.26 -3.64 113.70 104.09 3dmk s SER 360 Ca -0.05 -0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.21 3dmk s SER 360 Cb 0.09 1.12 -0.08 0.00 -1.71 0.00 0.00 66.02 65.45 3dmk s SER 360 CO 0.86 -0.33 1.18 -0.69 1.20 0.00 0.00 173.24 175.46 3dmk s VAL 361 N 2.55 3.04 0.22 4.45 1.01 -0.09 -4.76 120.40 126.83 3dmk s VAL 361 Ca 0.11 0.82 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 3dmk s VAL 361 Cb -0.14 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3dmk s VAL 361 CO -0.25 0.02 0.33 -1.59 0.00 0.00 0.00 175.10 173.61 3dmk s LYS 362 N -2.57 1.39 0.17 2.72 -2.85 -1.26 -0.55 119.74 116.80 3dmk s LYS 362 Ca 0.62 -1.41 -0.18 0.00 -1.00 0.00 0.00 55.97 54.00 3dmk s LYS 362 Cb -0.30 0.38 0.12 0.00 -2.06 0.00 0.00 37.83 35.97 3dmk s LYS 362 CO 0.37 -0.53 1.27 1.17 0.10 0.00 0.00 175.35 177.73 3dmk n LYS 363 N -0.33 -0.24 0.15 1.78 4.81 -1.26 0.21 118.16 123.28 3dmk n LYS 363 Ca -0.00 1.26 0.10 0.00 -0.87 0.00 0.00 58.31 58.80 3dmk n LYS 363 Cb 0.64 -1.86 0.54 0.00 0.02 0.00 0.00 35.03 34.37 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 -5.15 0.14 0.00 1.64 0.00 -1.26 -1.49 120.64 114.51 3dmk n GLU 364 Ca 0.06 0.60 0.13 0.00 0.00 0.00 0.00 57.16 57.95 3dmk n GLU 364 Cb 0.29 -1.92 0.61 0.00 0.00 0.00 0.00 31.44 30.43 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 -2.21 0.00 -4.74 -1.84 10.43 0.13 -4.88 116.55 113.45 3dmk n ASP 365 Ca -0.01 0.16 -0.35 0.00 2.57 0.00 0.00 54.79 57.16 3dmk n ASP 365 Cb 0.06 -0.38 0.07 0.00 1.84 0.00 0.00 41.12 42.71 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 -2.75 2.46 0.00 -1.24 -2.85 -0.56 -4.82 119.74 109.97 3dmk s LYS 366 Ca 0.20 1.76 0.00 0.00 -1.00 0.00 0.00 55.97 56.93 3dmk s LYS 366 Cb 0.17 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 3dmk s LYS 366 CO 0.43 -1.59 0.00 0.41 0.10 0.00 0.00 175.35 174.70 3dmk n GLY 367 N 0.36 -0.44 3.81 0.59 0.00 -0.51 -4.96 105.19 104.04 3dmk n GLY 367 Ca 0.13 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.29 1.61 -1.94 -1.26 -0.92 119.30 120.44 3dmk s MET 368 Ca 0.00 0.26 0.03 0.00 -1.71 0.00 0.00 55.69 54.27 3dmk s MET 368 Cb 0.00 -3.28 0.08 0.00 2.01 0.00 0.00 34.83 33.64 3dmk s MET 368 CO 0.00 0.57 -0.03 0.71 -0.01 0.00 0.00 175.02 176.25 3dmk s TYR 369 N -0.61 3.25 0.23 -0.03 2.02 0.21 -0.90 117.35 121.53 3dmk s TYR 369 Ca 0.21 -2.47 -0.11 0.00 -0.37 0.00 0.00 57.07 54.33 3dmk s TYR 369 Cb -0.15 -2.24 -0.07 0.00 -0.40 0.00 0.00 41.96 39.10 3dmk s TYR 369 CO 0.10 -0.89 0.58 -0.65 -1.57 0.00 0.00 175.55 173.12 3dmk s GLN 370 N 1.09 3.87 -0.13 -0.62 -0.21 -0.05 -2.97 119.66 120.65 3dmk s GLN 370 Ca -0.00 0.39 0.03 0.00 0.02 0.00 0.00 55.36 55.79 3dmk s GLN 370 Cb -0.19 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.16 3dmk s GLN 370 CO -0.07 0.32 -0.22 0.00 -2.12 0.00 0.00 175.29 173.20 3dmk s PHE 372 N 0.69 3.07 -0.23 0.00 2.99 0.54 -0.65 117.98 124.39 3dmk s PHE 372 Ca -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 56.93 56.85 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 0.01 0.29 -0.02 0.14 -0.00 0.00 0.00 175.22 175.65 3dmk s VAL 373 N -0.50 1.26 0.15 -0.44 -7.23 0.54 -0.97 120.40 113.21 3dmk s VAL 373 Ca 0.08 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 3dmk s VAL 373 Cb -0.12 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3dmk s VAL 373 CO 0.02 -0.19 -0.10 0.00 -0.31 0.00 0.00 175.10 174.52 3dmk s ARG 374 N 1.51 1.06 0.00 4.82 1.70 -0.35 -0.27 118.95 127.42 3dmk s ARG 374 Ca -0.03 -1.45 0.00 0.00 -0.47 0.00 0.00 55.73 53.78 3dmk s ARG 374 Cb -0.18 -0.62 0.00 0.00 -0.57 0.00 0.00 34.95 33.57 3dmk s ARG 374 CO -0.08 0.08 0.00 0.27 -1.08 0.00 0.00 175.30 174.48 3dmk n ASN 375 N -0.19 0.00 -0.03 -2.89 0.23 -0.22 -1.02 115.26 111.14 3dmk n ASN 375 Ca -0.10 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.79 3dmk n ASN 375 Cb 0.61 0.00 -0.08 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 0.75 0.00 0.53 5.19 -2.00 -3.38 116.42 117.51 3dmk h ASP 376 Ca 0.00 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 3dmk h ASP 376 Cb 0.00 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.29 3dmk h ASP 376 CO 0.00 1.24 -0.52 0.54 -3.12 0.00 0.00 179.24 177.38 3dmk n ARG 377 N -4.13 3.54 -4.17 3.56 5.12 -1.26 -5.05 116.66 114.27 3dmk n ARG 377 Ca -0.07 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.74 3dmk n ARG 377 Cb 0.64 -0.98 -0.10 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.98 0.93 -0.26 5.56 2.02 -1.26 -4.93 118.70 118.79 3dmk s GLU 378 Ca 0.03 -1.43 -0.05 0.00 0.02 0.00 0.00 54.97 53.54 3dmk s GLU 378 Cb 0.07 0.06 0.13 0.00 0.10 0.00 0.00 34.13 34.50 3dmk s GLU 378 CO 0.41 -0.19 0.52 -1.54 0.02 0.00 0.00 175.26 174.48 3dmk s SER 379 N -3.07 -0.69 -0.09 -0.19 1.04 -1.26 -1.05 113.70 108.38 3dmk s SER 379 Ca 0.21 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.61 3dmk s SER 379 Cb 0.07 1.78 -0.03 0.00 0.10 0.00 0.00 66.02 67.94 3dmk s SER 379 CO 0.00 -0.25 -0.03 0.00 0.98 0.00 0.00 173.24 173.94 3dmk s ALA 380 N 2.74 3.11 0.20 5.32 0.00 0.63 -4.65 121.76 129.11 3dmk s ALA 380 Ca 0.06 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.28 3dmk s ALA 380 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 3dmk s ALA 380 CO -0.17 0.51 -0.22 -1.83 0.00 0.00 0.00 175.76 174.05 3dmk s GLU 381 N -0.61 1.59 -0.04 0.00 4.04 -1.26 -0.34 118.70 122.08 3dmk s GLU 381 Ca 0.10 -1.51 -0.03 0.00 0.04 0.00 0.00 54.97 53.57 3dmk s GLU 381 Cb -0.12 -1.88 0.01 0.00 0.02 0.00 0.00 34.13 32.17 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 -1.71 -0.24 0.28 -0.84 0.00 0.18 -4.32 121.76 115.11 3dmk s ALA 382 Ca 0.22 0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.61 3dmk s ALA 382 Cb -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3dmk s ALA 382 CO 0.11 -0.06 0.04 0.45 0.00 0.00 0.00 175.76 176.29 3dmk s SER 383 N 0.23 4.62 -0.01 0.00 0.15 -1.26 -0.05 113.70 117.39 3dmk s SER 383 Ca -0.01 -0.66 -0.28 0.00 0.70 0.00 0.00 55.95 55.70 3dmk s SER 383 Cb -0.03 -0.85 0.09 0.00 -1.71 0.00 0.00 66.02 63.53 3dmk s SER 383 CO -0.01 -0.07 0.81 0.00 1.20 0.00 0.00 173.24 175.18 3dmk s ALA 384 N -2.34 -1.79 0.07 5.45 0.00 -1.16 -4.43 121.76 117.57 3dmk s ALA 384 Ca 0.33 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.42 3dmk s ALA 384 Cb -0.06 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3dmk s ALA 384 CO 0.21 -0.58 -0.19 -2.00 0.00 0.00 0.00 175.76 173.20 3dmk s GLU 385 N -2.53 1.11 -0.22 0.00 2.12 -0.49 -0.62 118.70 118.06 3dmk s GLU 385 Ca 0.00 -1.02 0.01 0.00 0.36 0.00 0.00 54.97 54.32 3dmk s GLU 385 Cb -0.01 -1.26 0.03 0.00 0.26 0.00 0.00 34.13 33.16 3dmk s GLU 385 CO -0.05 0.30 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.67 3dmk s LEU 386 N -1.60 2.81 0.08 2.70 2.96 -0.10 -1.88 118.68 123.65 3dmk s LEU 386 Ca 0.05 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 52.97 3dmk s LEU 386 Cb -0.09 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 3dmk s LEU 386 CO 0.03 -0.09 0.31 -0.54 -1.32 0.00 0.00 176.35 174.74 3dmk s LYS 387 N 1.24 3.57 -0.31 1.98 1.02 0.49 -1.42 119.74 126.30 3dmk s LYS 387 Ca -0.01 -0.15 -0.21 0.00 0.02 0.00 0.00 55.97 55.62 3dmk s LYS 387 Cb -0.16 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 3dmk s LYS 387 CO -0.08 0.56 0.67 -0.51 -0.92 0.00 0.00 175.35 175.07 3dmk s LEU 388 N -2.33 4.14 0.00 3.17 1.43 -1.26 -1.59 118.68 122.24 3dmk s LEU 388 Ca 0.35 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3dmk s LEU 388 Cb -0.13 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3dmk s LEU 388 CO 0.23 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3dmk n GLY 389 N 4.39 -0.03 0.00 -3.19 0.00 0.40 -4.85 105.19 101.91 3dmk n GLY 389 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 3.87 1.25 4.19 -0.02 0.00 -1.26 -4.85 105.19 108.37 3dmk n GLY 390 Ca 0.00 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 -0.58 0.00 1.61 0.63 -1.26 -4.86 116.66 112.20 3dmk n ARG 391 Ca 0.00 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3dmk n ARG 391 Cb 0.00 -3.00 0.00 0.00 0.45 0.00 0.00 32.46 29.91 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 -4.86 0.00 -2.15 -0.14 -0.00 -1.26 -5.16 117.46 103.89 3dmk n PHE 392 Ca -0.21 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.82 3dmk n PHE 392 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.08 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 0.00 6.82 0.84 -2.13 -4.77 -1.23 -4.86 116.67 111.34 3dmk s ASP 393 Ca 0.00 2.47 -0.12 0.00 -3.30 0.00 0.00 52.55 51.60 3dmk s ASP 393 Cb 0.00 -2.61 0.10 0.00 -1.09 0.00 0.00 42.92 39.32 3dmk s ASP 393 CO 0.00 -0.59 1.18 -2.16 0.70 0.00 0.00 175.17 174.29 3dmk s PRO 394 N -0.02 1.70 0.18 2.11 0.04 -1.26 -0.51 135.00 137.24 3dmk s PRO 394 Ca 0.59 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 3dmk s PRO 394 Cb -0.38 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3dmk s PRO 394 CO 0.38 -1.78 1.34 -1.25 0.04 0.00 0.00 177.00 175.74 3dmk s PRO 395 N -5.53 4.36 0.05 0.56 0.04 -1.26 -4.43 135.00 128.79 3dmk s PRO 395 Ca 0.63 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.77 3dmk s PRO 395 Cb -0.12 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3dmk s PRO 395 CO 0.50 -0.32 -0.08 0.08 0.04 0.00 0.00 177.00 177.22 3dmk s VAL 396 N 0.41 0.60 -0.25 -0.36 1.01 0.12 -4.48 120.40 117.43 3dmk s VAL 396 Ca 0.59 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3dmk s VAL 396 Cb -0.37 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 3dmk s VAL 396 CO 0.36 -0.43 0.02 0.27 0.00 0.00 0.00 175.10 175.32 3dmk s ILE 397 N -1.64 3.77 0.00 2.22 -5.25 -1.26 0.11 121.20 119.14 3dmk s ILE 397 Ca -0.07 -0.51 0.00 0.00 -0.99 0.00 0.00 60.65 59.08 3dmk s ILE 397 Cb -0.08 -2.82 0.00 0.00 2.95 0.00 0.00 42.46 42.51 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 4.84 0.00 -2.68 0.37 1.74 0.09 -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 -0.07 -0.03 0.00 -1.02 0.00 0.00 32.46 31.83 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 3.23 0.10 5.56 -1.52 -1.20 -4.95 119.66 120.87 3dmk s GLN 399 Ca 0.00 -0.34 0.09 0.00 -1.95 0.00 0.00 55.36 53.16 3dmk s GLN 399 Cb 0.00 -4.15 -0.03 0.00 -0.22 0.00 0.00 33.01 28.60 3dmk s GLN 399 CO 0.00 -1.90 -0.24 0.00 -0.25 0.00 0.00 175.29 172.91 3dmk s ALA 400 N 4.90 2.04 0.57 6.09 0.00 -1.26 -0.87 121.76 133.23 3dmk s ALA 400 Ca 0.32 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 3dmk s ALA 400 Cb -0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3dmk s ALA 400 CO 0.16 0.45 1.19 -0.59 0.00 0.00 0.00 175.76 176.96 3dmk s PHE 401 N -1.04 2.50 0.43 0.00 -0.71 -0.25 -4.99 117.98 113.93 3dmk s PHE 401 Ca 0.10 1.52 0.06 0.00 -1.04 0.00 0.00 56.93 57.56 3dmk s PHE 401 Cb -0.10 -3.43 -0.06 0.00 -1.21 0.00 0.00 43.02 38.22 3dmk s PHE 401 CO 0.04 -2.00 0.03 1.14 -1.34 0.00 0.00 175.22 173.09 3dmk s GLN 402 N -3.25 2.04 0.51 1.99 -2.07 -1.26 -4.86 119.66 112.75 3dmk s GLN 402 Ca 0.75 -2.15 -0.22 0.00 -1.82 0.00 0.00 55.36 51.92 3dmk s GLN 402 Cb -0.29 -1.66 -0.07 0.00 -1.09 0.00 0.00 33.01 29.91 3dmk s GLN 402 CO 0.32 -0.13 1.26 -1.91 -1.32 0.00 0.00 175.29 173.50 3dmk n GLU 403 N -1.07 1.63 -3.71 9.60 2.13 -1.26 -4.80 120.64 123.16 3dmk n GLU 403 Ca -0.08 0.60 -0.12 0.00 0.66 0.00 0.00 57.16 58.22 3dmk n GLU 403 Cb 0.67 -2.43 -0.07 0.00 0.27 0.00 0.00 31.44 29.88 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 -2.62 0.88 0.05 5.31 2.12 -0.39 -4.98 118.70 119.08 3dmk s GLU 404 Ca 0.69 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 55.54 3dmk s GLU 404 Cb -0.45 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.30 3dmk s GLU 404 CO 0.52 -0.30 -0.10 0.99 -0.54 0.00 0.00 175.26 175.83 3dmk s THR 405 N -2.76 0.75 0.16 -1.70 2.01 -1.26 -1.04 115.64 111.81 3dmk s THR 405 Ca -0.04 -1.17 -0.25 0.00 0.31 0.00 0.00 61.69 60.54 3dmk s THR 405 Cb -0.00 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.78 3dmk s THR 405 CO -0.05 -0.33 0.95 0.00 -0.69 0.00 0.00 174.62 174.51 3dmk s MET 406 N -1.67 1.23 0.14 4.92 0.00 0.23 -4.92 119.30 119.23 3dmk s MET 406 Ca -0.07 -0.69 0.01 0.00 0.00 0.00 0.00 55.69 54.95 3dmk s MET 406 Cb -0.10 0.42 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 3dmk s MET 406 CO 0.01 -0.56 0.29 -1.83 0.00 0.00 0.00 175.02 172.93 3dmk s GLU 407 N -3.26 3.46 0.70 3.16 -1.05 -1.26 -1.24 118.70 119.21 3dmk s GLU 407 Ca 0.13 -0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 54.31 3dmk s GLU 407 Cb -0.02 -2.95 0.02 0.00 -0.44 0.00 0.00 34.13 30.74 3dmk s GLU 407 CO 0.03 0.51 1.10 -1.25 0.95 0.00 0.00 175.26 176.60 3dmk s PRO 408 N -3.09 2.63 0.00 -4.83 0.04 -1.26 -4.41 135.00 124.07 3dmk s PRO 408 Ca 0.36 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3dmk s PRO 408 Cb -0.11 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3dmk s PRO 408 CO 0.28 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.36 3dmk n GLY 409 N -0.78 2.19 3.66 0.56 0.00 -0.25 -5.01 105.19 105.56 3dmk n GLY 409 Ca 0.10 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 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 0.94 0.20 1.61 0.04 -1.26 -3.95 135.00 132.58 3dmk s PRO 410 Ca 0.00 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 3dmk s PRO 410 Cb 0.00 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 3dmk s PRO 410 CO 0.00 -2.63 0.94 -1.12 0.04 0.00 0.00 177.00 174.23 3dmk s SER 411 N -2.77 7.60 -0.05 6.66 0.01 -1.25 -1.56 113.70 122.35 3dmk s SER 411 Ca 0.66 1.90 0.04 0.00 1.31 0.00 0.00 55.95 59.86 3dmk s SER 411 Cb -0.22 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.38 3dmk s SER 411 CO 0.58 0.10 -0.15 -0.69 0.41 0.00 0.00 173.24 173.49 3dmk s VAL 412 N -0.86 2.96 -0.33 3.43 1.01 -0.40 -4.94 120.40 121.28 3dmk s VAL 412 Ca 0.43 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3dmk s VAL 412 Cb -0.25 -2.15 0.10 0.00 0.00 0.00 0.00 36.38 34.08 3dmk s VAL 412 CO 0.31 0.59 0.10 -0.36 0.00 0.00 0.00 175.10 175.74 3dmk s PHE 413 N -0.65 2.19 -0.02 5.22 0.08 -1.26 -0.79 117.98 122.76 3dmk s PHE 413 Ca 0.10 -2.08 -0.18 0.00 0.12 0.00 0.00 56.93 54.89 3dmk s PHE 413 Cb -0.11 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.28 3dmk s PHE 413 CO 0.01 -0.89 0.51 -0.51 -0.10 0.00 0.00 175.22 174.24 3dmk s LEU 414 N 1.36 4.42 -0.09 -0.37 1.43 -0.28 -4.96 118.68 120.19 3dmk s LEU 414 Ca 0.11 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 3dmk s LEU 414 Cb -0.18 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.29 3dmk s LEU 414 CO -0.19 0.17 -0.16 -0.75 0.23 0.00 0.00 176.35 175.64 3dmk s LYS 415 N -0.39 2.26 -0.30 1.70 2.20 -1.26 -0.31 119.74 123.63 3dmk s LYS 415 Ca 0.27 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3dmk s LYS 415 Cb -0.17 -1.84 0.07 0.00 -1.51 0.00 0.00 37.83 34.38 3dmk s LYS 415 CO 0.15 0.01 -0.02 0.00 -0.36 0.00 0.00 175.35 175.13 3dmk s VAL 417 N 1.07 5.18 -0.04 0.00 1.01 -0.05 -1.24 120.40 126.33 3dmk s VAL 417 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3dmk s VAL 417 Cb -0.20 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3dmk s VAL 417 CO -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 175.10 174.55 3dmk s ALA 418 N 1.85 3.11 0.42 5.51 0.00 0.58 -0.73 121.76 132.51 3dmk s ALA 418 Ca 0.07 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3dmk s ALA 418 Cb -0.20 -1.27 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 3dmk s ALA 418 CO 0.10 0.60 0.07 0.20 0.00 0.00 0.00 175.76 176.73 3dmk s GLY 419 N -1.15 2.51 0.00 0.00 0.00 0.12 0.08 107.32 108.87 3dmk s GLY 419 Ca 0.15 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.83 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 -1.09 1.09 2.61 0.20 0.00 -1.26 -0.70 105.19 106.04 3dmk n GLY 420 Ca -0.05 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 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 3.06 1.02 1.61 3.84 0.34 -3.50 114.94 121.32 3dmk s ASN 421 Ca 0.00 -1.01 -0.15 0.00 0.21 0.00 0.00 52.86 51.91 3dmk s ASN 421 Cb 0.00 -0.40 0.20 0.00 -0.55 0.00 0.00 41.25 40.50 3dmk s ASN 421 CO 0.00 -0.39 1.14 -2.84 -2.79 0.00 0.00 177.10 172.23 3dmk s PRO 422 N 2.03 0.21 -0.07 0.43 0.02 -1.26 -3.47 135.00 132.89 3dmk s PRO 422 Ca 0.05 0.14 -0.30 0.00 0.02 0.00 0.00 61.00 60.91 3dmk s PRO 422 Cb -0.16 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3dmk s PRO 422 CO -0.21 -2.80 1.57 0.99 -0.33 0.00 0.00 177.00 176.21 3dmk s THR 423 N -3.21 3.70 0.74 0.99 2.01 -1.23 -4.86 115.64 113.78 3dmk s THR 423 Ca 0.68 0.87 -0.11 0.00 0.31 0.00 0.00 61.69 63.44 3dmk s THR 423 Cb -0.13 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.86 3dmk s THR 423 CO 0.55 -0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 173.35 3dmk s PRO 424 N 3.81 2.45 -0.05 4.92 0.05 -1.26 -5.00 135.00 139.92 3dmk s PRO 424 Ca 0.69 0.22 -0.14 0.00 0.05 0.00 0.00 61.00 61.83 3dmk s PRO 424 Cb -0.31 -2.03 -0.05 0.00 0.05 0.00 0.00 34.50 32.16 3dmk s PRO 424 CO 0.27 -1.25 0.36 -1.21 0.05 0.00 0.00 177.00 175.22 3dmk s GLU 425 N -5.41 3.92 -0.28 4.56 2.02 -0.20 -4.81 118.70 118.51 3dmk s GLU 425 Ca 0.59 0.30 -0.06 0.00 0.02 0.00 0.00 54.97 55.82 3dmk s GLU 425 Cb -0.11 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.87 3dmk s GLU 425 CO 0.49 0.61 0.05 0.42 0.02 0.00 0.00 175.26 176.86 3dmk s ILE 426 N -0.76 3.86 0.06 -1.63 1.01 -1.26 -0.86 121.20 121.62 3dmk s ILE 426 Ca 0.22 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3dmk s ILE 426 Cb -0.15 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3dmk s ILE 426 CO 0.11 0.17 0.03 -0.94 0.00 0.00 0.00 174.94 174.31 3dmk s SER 427 N 1.50 5.27 -0.05 3.58 1.04 -0.25 -4.93 113.70 119.86 3dmk s SER 427 Ca 0.03 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 3dmk s SER 427 Cb -0.16 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 3dmk s SER 427 CO 0.01 0.21 0.03 0.26 0.98 0.00 0.00 173.24 174.73 3dmk s TRP 428 N -1.27 3.21 0.04 5.02 0.52 -1.26 -0.06 118.94 125.13 3dmk s TRP 428 Ca 0.25 0.20 0.04 0.00 0.02 0.00 0.00 56.10 56.61 3dmk s TRP 428 Cb -0.12 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 3dmk s TRP 428 CO 0.17 0.51 -0.11 -1.21 0.02 0.00 0.00 176.95 176.33 3dmk s GLU 429 N -1.21 0.76 -0.19 4.98 2.02 0.10 -3.44 118.70 121.72 3dmk s GLU 429 Ca 0.17 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.46 3dmk s GLU 429 Cb -0.12 -0.71 0.04 0.00 0.10 0.00 0.00 34.13 33.45 3dmk s GLU 429 CO 0.06 0.17 -0.07 -1.17 0.02 0.00 0.00 175.26 174.28 3dmk s LEU 430 N -1.15 1.94 -1.50 1.80 0.20 0.86 -0.22 118.68 120.61 3dmk s LEU 430 Ca -0.01 -0.81 -0.14 0.00 0.69 0.00 0.00 54.13 53.86 3dmk s LEU 430 Cb -0.08 -1.04 0.11 0.00 -0.43 0.00 0.00 46.19 44.75 3dmk s LEU 430 CO 0.01 -0.18 0.73 0.47 -0.29 0.00 0.00 176.35 177.09 3dmk n ASP 431 N 4.79 -3.91 0.00 3.68 8.00 -0.03 -0.80 116.55 128.28 3dmk n ASP 431 Ca -0.13 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3dmk n ASP 431 Cb 0.47 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 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 -1.39 2.10 3.73 0.44 0.00 -1.26 -4.97 105.19 103.83 3dmk n GLY 432 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.49 4.26 -0.17 1.61 2.20 0.02 -5.06 119.74 122.12 3dmk s LYS 433 Ca 0.00 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 3dmk s LYS 433 Cb 0.00 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3dmk s LYS 433 CO 0.00 0.24 1.03 0.15 -0.36 0.00 0.00 175.35 176.41 3dmk s LYS 434 N 0.44 4.34 -0.02 4.03 1.02 -1.26 -0.10 119.74 128.19 3dmk s LYS 434 Ca 0.19 1.38 0.03 0.00 0.02 0.00 0.00 55.97 57.59 3dmk s LYS 434 Cb -0.14 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3dmk s LYS 434 CO 0.06 -0.48 -0.07 0.96 -0.92 0.00 0.00 175.35 174.90 3dmk s ILE 435 N 2.62 3.64 0.00 2.17 -5.25 -1.22 -4.97 121.20 118.20 3dmk s ILE 435 Ca 0.46 -0.69 0.00 0.00 -0.99 0.00 0.00 60.65 59.43 3dmk s ILE 435 Cb -0.17 -2.55 0.00 0.00 2.95 0.00 0.00 42.46 42.69 3dmk s ILE 435 CO 0.12 0.46 0.00 0.00 -1.79 0.00 0.00 174.94 173.73 3dmk n ALA 436 N 1.76 0.00 -0.97 2.27 0.00 -1.26 -4.69 120.51 117.62 3dmk n ALA 436 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 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 4.52 -4.67 0.00 3.02 -1.26 -4.62 115.26 112.24 3dmk n ASN 437 Ca 0.00 -2.48 -0.32 0.00 -0.03 0.00 0.00 54.58 51.75 3dmk n ASN 437 Cb 0.00 -1.18 -0.09 0.00 -0.61 0.00 0.00 39.78 37.90 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 5.05 1.48 6.41 0.02 -1.20 -4.94 114.94 125.49 3dmk s ASN 438 Ca 0.48 -0.03 0.00 0.00 -1.02 0.00 0.00 52.86 52.28 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 1.37 0.00 -0.27 -1.22 -0.08 -1.26 -0.58 116.55 114.51 3dmk n ASP 439 Ca -0.14 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 0.17 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 8.54 1.41 -3.07 -0.67 1.85 -1.26 -4.94 116.66 118.51 3dmk n ARG 440 Ca 0.00 -2.83 -0.40 0.00 -1.00 0.00 0.00 57.85 53.62 3dmk n ARG 440 Cb 0.00 -1.55 -0.05 0.00 -1.05 0.00 0.00 32.46 29.81 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 -3.00 3.48 -0.09 2.89 2.02 0.25 -1.08 117.35 121.82 3dmk s TYR 441 Ca 0.34 1.11 0.03 0.00 -0.37 0.00 0.00 57.07 58.18 3dmk s TYR 441 Cb 0.31 -2.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.04 3dmk s TYR 441 CO -0.00 -0.04 -0.17 -0.65 -1.57 0.00 0.00 175.55 173.11 3dmk s GLN 442 N 1.37 2.89 -0.08 -0.62 -0.21 0.72 -3.23 119.66 120.49 3dmk s GLN 442 Ca 0.34 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.97 3dmk s GLN 442 Cb -0.17 -2.42 0.02 0.00 1.00 0.00 0.00 33.01 31.44 3dmk s GLN 442 CO 0.14 0.38 -0.11 0.08 -2.12 0.00 0.00 175.29 173.66 3dmk s VAL 443 N -0.11 1.11 0.33 1.09 1.01 -1.26 -0.64 120.40 121.93 3dmk s VAL 443 Ca -0.03 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3dmk s VAL 443 Cb -0.14 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 3dmk s VAL 443 CO 0.04 0.36 0.00 -0.83 0.00 0.00 0.00 175.10 174.68 3dmk s GLY 444 N 1.03 2.09 -0.30 4.51 0.00 0.06 -4.89 107.32 109.82 3dmk s GLY 444 Ca -0.07 -2.06 -0.11 0.00 0.00 0.00 0.00 44.72 42.48 3dmk s GLY 444 CO -0.01 -1.89 0.86 1.62 0.00 0.00 0.00 173.10 173.69 3dmk s GLN 445 N -3.79 0.37 0.46 2.90 0.74 -1.26 -1.46 119.66 117.62 3dmk s GLN 445 Ca 0.34 0.81 0.03 0.00 0.05 0.00 0.00 55.36 56.58 3dmk s GLN 445 Cb 0.07 0.47 -0.02 0.00 1.10 0.00 0.00 33.01 34.63 3dmk s GLN 445 CO 0.15 -0.26 0.05 1.52 -0.55 0.00 0.00 175.29 176.20 3dmk s TYR 446 N 2.73 1.89 -0.09 1.67 1.13 -0.55 -4.99 117.35 119.15 3dmk s TYR 446 Ca 0.02 -1.05 0.04 0.00 -1.41 0.00 0.00 57.07 54.68 3dmk s TYR 446 Cb -0.10 -1.45 -0.00 0.00 -1.10 0.00 0.00 41.96 39.31 3dmk s TYR 446 CO -0.17 0.05 -0.23 0.08 -2.51 0.00 0.00 175.55 172.76 3dmk s VAL 447 N -3.00 1.99 0.68 -3.49 1.01 -1.26 -1.06 120.40 115.26 3dmk s VAL 447 Ca 0.16 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3dmk s VAL 447 Cb 0.03 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 3dmk s VAL 447 CO 0.09 0.55 1.05 0.42 0.00 0.00 0.00 175.10 177.21 3dmk s THR 448 N 0.22 4.20 0.45 3.92 -4.23 0.57 -4.92 115.64 115.86 3dmk s THR 448 Ca -0.14 0.71 0.21 0.00 -1.18 0.00 0.00 61.69 61.29 3dmk s THR 448 Cb -0.17 -3.52 0.40 0.00 1.34 0.00 0.00 72.50 70.56 3dmk s THR 448 CO 0.07 -0.93 1.88 0.58 -0.54 0.00 0.00 174.62 175.68 3dmk h VAL 449 N -0.62 0.67 0.00 2.29 2.07 -2.01 0.42 116.25 119.07 3dmk h VAL 449 Ca -0.44 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3dmk h VAL 449 Cb 1.21 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3dmk h VAL 449 CO 0.58 0.05 0.00 0.78 0.02 0.00 0.00 177.57 179.00 3dmk h ASN 450 N 0.29 0.00 0.00 0.57 4.21 -2.06 -3.47 115.58 115.12 3dmk h ASN 450 Ca 0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.94 3dmk h ASN 450 Cb 1.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 3dmk h ASN 450 CO -0.12 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.63 3dmk n GLY 451 N 1.09 1.27 3.85 2.83 0.00 0.14 -5.11 105.19 109.26 3dmk n GLY 451 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 6.02 -0.20 1.61 1.11 -1.26 -4.58 116.67 117.37 3dmk s ASP 452 Ca 0.00 0.21 -0.19 0.00 0.18 0.00 0.00 52.55 52.75 3dmk s ASP 452 Cb 0.00 -1.80 -0.03 0.00 1.07 0.00 0.00 42.92 42.17 3dmk s ASP 452 CO 0.00 0.23 0.56 -0.69 1.18 0.00 0.00 175.17 176.44 3dmk s VAL 453 N -1.34 5.07 -0.42 -1.27 1.01 0.11 -0.31 120.40 123.25 3dmk s VAL 453 Ca 0.28 1.03 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 3dmk s VAL 453 Cb -0.12 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.45 3dmk s VAL 453 CO 0.20 0.15 0.27 -0.69 0.00 0.00 0.00 175.10 175.02 3dmk s VAL 454 N 1.79 4.43 -0.16 2.92 1.01 -0.23 -0.30 120.40 129.86 3dmk s VAL 454 Ca 0.25 -1.26 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3dmk s VAL 454 Cb -0.16 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3dmk s VAL 454 CO 0.10 -0.47 -0.07 -0.55 0.00 0.00 0.00 175.10 174.11 3dmk s SER 455 N 2.08 4.47 0.03 3.32 0.15 -0.37 -1.48 113.70 121.90 3dmk s SER 455 Ca 0.03 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.48 3dmk s SER 455 Cb -0.22 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 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 0.51 3.00 -0.31 3.44 2.02 -0.54 -1.00 117.35 124.47 3dmk s TYR 456 Ca -0.05 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3dmk s TYR 456 Cb -0.15 -1.61 0.09 0.00 -0.40 0.00 0.00 41.96 39.89 3dmk s TYR 456 CO 0.03 0.45 0.03 -1.17 -1.57 0.00 0.00 175.55 173.32 3dmk s LEU 457 N -1.79 3.73 -0.25 -1.29 2.96 0.58 -0.76 118.68 121.86 3dmk s LEU 457 Ca 0.21 -1.83 -0.11 0.00 -0.22 0.00 0.00 54.13 52.19 3dmk s LEU 457 Cb -0.11 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.15 3dmk s LEU 457 CO 0.12 -0.35 0.18 0.20 -1.32 0.00 0.00 176.35 175.18 3dmk s ASN 458 N 1.16 6.11 -0.24 3.68 0.01 0.19 -1.12 114.94 124.73 3dmk s ASN 458 Ca 0.07 0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 52.25 3dmk s ASN 458 Cb -0.19 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 3dmk s ASN 458 CO -0.12 0.03 0.03 -0.51 -1.51 0.00 0.00 177.10 175.03 3dmk s ILE 459 N 1.23 4.03 0.13 0.60 2.07 0.03 -0.20 121.20 129.10 3dmk s ILE 459 Ca 0.08 -0.27 -0.19 0.00 -1.41 0.00 0.00 60.65 58.86 3dmk s ILE 459 Cb -0.14 -2.87 -0.03 0.00 0.13 0.00 0.00 42.46 39.55 3dmk s ILE 459 CO 0.06 0.37 1.73 0.74 -1.91 0.00 0.00 174.94 175.93 3dmk h THR 460 N 5.57 0.87 -1.61 4.00 2.02 -1.39 -1.05 112.91 121.32 3dmk h THR 460 Ca -0.39 -0.04 -0.28 0.00 0.77 0.00 0.00 66.41 66.47 3dmk h THR 460 Cb 1.17 0.75 -0.26 0.00 -1.74 0.00 0.00 68.15 68.07 3dmk h THR 460 CO 0.59 0.02 -0.63 -0.55 0.37 0.00 0.00 175.52 175.32 3dmk s SER 461 N -5.26 0.12 -0.10 4.18 0.15 -1.26 -3.75 113.70 107.76 3dmk s SER 461 Ca -0.13 -1.56 -0.39 0.00 0.70 0.00 0.00 55.95 54.57 3dmk s SER 461 Cb 0.10 1.02 -0.17 0.00 -1.71 0.00 0.00 66.02 65.26 3dmk s SER 461 CO 0.69 -0.20 1.48 0.55 1.20 0.00 0.00 173.24 176.96 3dmk n VAL 462 N 3.95 0.11 -3.61 4.45 3.14 -0.60 -4.59 118.33 121.18 3dmk n VAL 462 Ca 0.14 -0.02 -0.22 0.00 -2.96 0.00 0.00 64.34 61.28 3dmk n VAL 462 Cb 0.50 -0.84 -0.01 0.00 -1.06 0.00 0.00 33.84 32.43 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 1.73 3.38 0.10 1.45 3.76 -1.26 -1.09 115.29 123.37 3dmk s HIS 463 Ca 0.92 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 55.90 3dmk s HIS 463 Cb -1.08 -1.81 0.21 0.00 1.11 0.00 0.00 32.58 31.01 3dmk s HIS 463 CO 0.58 0.19 0.55 0.00 -0.85 0.00 0.00 174.74 175.21 3dmk n ALA 464 N -1.63 0.13 -2.27 -1.40 0.00 -1.26 -1.06 120.51 113.02 3dmk n ALA 464 Ca -0.05 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 3dmk n ALA 464 Cb 0.57 -0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.45 3.04 0.18 0.00 0.23 -1.26 -4.12 115.26 108.88 3dmk n ASN 465 Ca 0.07 -3.05 0.08 0.00 -0.53 0.00 0.00 54.58 51.15 3dmk n ASN 465 Cb 0.22 -0.41 0.10 0.00 -2.08 0.00 0.00 39.78 37.61 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 2.05 0.00 -4.13 0.53 3.32 -1.47 -3.48 116.42 113.24 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 1.42 0.00 0.15 0.00 0.22 0.00 0.00 39.33 41.12 3dmk h ASP 466 CO 0.41 0.23 0.47 -0.83 -1.72 0.00 0.00 179.24 177.80 3dmk s GLY 467 N -4.34 2.70 0.00 2.75 0.00 -1.26 -4.92 107.32 102.25 3dmk s GLY 467 Ca 0.05 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.87 3dmk s GLY 467 CO 0.71 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.93 3dmk n GLY 468 N 0.72 -0.58 3.34 0.20 0.00 0.53 -4.52 105.19 104.87 3dmk n GLY 468 Ca 0.15 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 5.20 0.11 0.99 2.96 -1.26 -1.07 118.68 125.60 3dmk s LEU 469 Ca 0.00 -1.31 -0.15 0.00 -0.22 0.00 0.00 54.13 52.45 3dmk s LEU 469 Cb 0.00 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 3dmk s LEU 469 CO 0.00 -0.53 0.52 -0.31 -1.32 0.00 0.00 176.35 174.70 3dmk s TYR 470 N 1.53 3.66 -0.03 5.38 1.51 0.02 -0.85 117.35 128.56 3dmk s TYR 470 Ca 0.03 1.06 -0.06 0.00 -1.01 0.00 0.00 57.07 57.09 3dmk s TYR 470 Cb -0.22 -2.36 0.01 0.00 -0.11 0.00 0.00 41.96 39.28 3dmk s TYR 470 CO 0.05 0.50 0.15 -1.59 -1.11 0.00 0.00 175.55 173.54 3dmk s LYS 471 N -1.69 0.33 -0.07 -0.62 -2.85 0.70 0.09 119.74 115.63 3dmk s LYS 471 Ca 0.34 -0.09 -0.05 0.00 -1.00 0.00 0.00 55.97 55.17 3dmk s LYS 471 Cb -0.16 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 3dmk s LYS 471 CO 0.18 -0.07 0.14 0.00 0.10 0.00 0.00 175.35 175.70 3dmk s ILE 473 N -1.12 2.45 -0.79 0.00 1.01 0.91 -0.90 121.20 122.75 3dmk s ILE 473 Ca 0.19 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.08 3dmk s ILE 473 Cb -0.12 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 40.01 3dmk s ILE 473 CO 0.09 -0.05 1.06 0.00 0.00 0.00 0.00 174.94 176.04 3dmk s ALA 474 N 1.15 3.19 -0.18 9.38 0.00 0.25 -1.09 121.76 134.46 3dmk s ALA 474 Ca -0.08 -2.25 -0.08 0.00 0.00 0.00 0.00 51.96 49.56 3dmk s ALA 474 Cb -0.20 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 3dmk s ALA 474 CO -0.04 -2.92 0.07 0.21 0.00 0.00 0.00 175.76 173.09 3dmk s LYS 475 N 3.57 3.99 0.13 0.00 2.36 -0.04 -0.93 119.74 128.82 3dmk s LYS 475 Ca 0.28 -0.32 0.08 0.00 -2.55 0.00 0.00 55.97 53.46 3dmk s LYS 475 Cb -0.11 -3.24 -0.04 0.00 -1.05 0.00 0.00 37.83 33.39 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 0.31 2.53 0.00 1.43 0.15 0.30 -1.03 113.70 117.39 3dmk s SER 476 Ca 0.04 -0.78 0.08 0.00 0.70 0.00 0.00 55.95 55.99 3dmk s SER 476 Cb -0.12 -0.14 0.49 0.00 -1.71 0.00 0.00 66.02 64.54 3dmk s SER 476 CO -0.00 -0.01 0.97 2.29 1.20 0.00 0.00 173.24 177.68 3dmk n LYS 477 N 0.65 0.55 -0.21 5.44 2.85 -1.26 -1.29 118.16 124.89 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 0.56 -1.24 0.16 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 -0.74 1.29 0.00 0.58 3.14 -1.26 -5.00 118.33 116.35 3dmk n VAL 478 Ca 0.06 -1.22 0.00 0.00 -2.96 0.00 0.00 64.34 60.22 3dmk n VAL 478 Cb 0.03 0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 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 0.14 2.35 3.28 7.55 0.00 -0.41 -3.92 105.19 114.19 3dmk n GLY 479 Ca 0.13 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.68 1.44 -0.27 1.61 0.11 -1.26 -0.54 120.40 119.82 3dmk s VAL 480 Ca 0.00 -2.02 -0.15 0.00 -2.93 0.00 0.00 61.98 56.88 3dmk s VAL 480 Cb 0.00 -1.84 0.08 0.00 -1.53 0.00 0.00 36.38 33.09 3dmk s VAL 480 CO 0.00 -0.59 0.65 0.00 -3.33 0.00 0.00 175.10 171.83 3dmk s ALA 481 N -2.85 -1.77 0.23 1.54 0.00 -0.11 -4.84 121.76 113.96 3dmk s ALA 481 Ca 0.17 2.30 0.10 0.00 0.00 0.00 0.00 51.96 54.53 3dmk s ALA 481 Cb -0.01 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 3dmk s ALA 481 CO 0.04 -0.39 -0.18 -1.83 0.00 0.00 0.00 175.76 173.39 3dmk s GLU 482 N 1.67 1.47 -0.04 0.00 -1.05 -1.26 -0.58 118.70 118.91 3dmk s GLU 482 Ca -0.10 -1.63 -0.02 0.00 -0.15 0.00 0.00 54.97 53.08 3dmk s GLU 482 Cb -0.06 -1.46 0.03 0.00 -0.44 0.00 0.00 34.13 32.20 3dmk s GLU 482 CO -0.19 0.27 0.06 -1.58 0.95 0.00 0.00 175.26 174.77 3dmk s HIS 483 N -2.54 0.10 0.22 4.83 2.46 -0.08 -4.98 115.29 115.31 3dmk s HIS 483 Ca 0.24 0.23 0.05 0.00 0.47 0.00 0.00 55.06 56.05 3dmk s HIS 483 Cb -0.04 -0.50 -0.03 0.00 -0.13 0.00 0.00 32.58 31.88 3dmk s HIS 483 CO 0.10 -0.20 0.30 -1.12 -2.47 0.00 0.00 174.74 171.35 3dmk s SER 484 N 2.16 6.11 -0.10 9.88 0.01 -1.26 -0.83 113.70 129.66 3dmk s SER 484 Ca 0.05 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 3dmk s SER 484 Cb -0.12 -1.75 0.12 0.00 0.21 0.00 0.00 66.02 64.48 3dmk s SER 484 CO -0.03 -0.03 0.98 0.00 0.41 0.00 0.00 173.24 174.56 3dmk s ALA 485 N -1.95 -1.91 -0.19 1.44 0.00 0.11 -4.96 121.76 114.31 3dmk s ALA 485 Ca 0.34 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 3dmk s ALA 485 Cb -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3dmk s ALA 485 CO 0.28 -0.48 0.16 0.21 0.00 0.00 0.00 175.76 175.92 3dmk s LYS 486 N -2.02 4.15 -0.21 0.00 2.20 -1.26 -0.80 119.74 121.80 3dmk s LYS 486 Ca 0.02 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 3dmk s LYS 486 Cb -0.01 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3dmk s LYS 486 CO -0.03 0.32 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.99 3dmk s LEU 487 N 0.28 2.63 -0.14 5.43 2.96 -0.23 -1.26 118.68 128.36 3dmk s LEU 487 Ca 0.10 -0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 3dmk s LEU 487 Cb -0.11 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3dmk s LEU 487 CO -0.01 -0.04 0.02 0.20 -1.32 0.00 0.00 176.35 175.20 3dmk s ASN 488 N 1.34 5.32 -0.04 3.68 -0.87 -0.20 -0.35 114.94 123.81 3dmk s ASN 488 Ca 0.04 0.07 0.05 0.00 -1.57 0.00 0.00 52.86 51.45 3dmk s ASN 488 Cb -0.14 -1.74 -0.01 0.00 -0.02 0.00 0.00 41.25 39.34 3dmk s ASN 488 CO -0.08 0.26 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.83 3dmk s VAL 489 N -0.19 1.60 -0.33 1.60 1.01 -1.25 -0.60 120.40 122.23 3dmk s VAL 489 Ca 0.06 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3dmk s VAL 489 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3dmk s VAL 489 CO 0.02 0.45 1.35 -0.31 0.00 0.00 0.00 175.10 176.62 3dmk s TYR 490 N -0.10 2.56 0.16 5.22 1.51 -0.37 -0.31 117.35 126.01 3dmk s TYR 490 Ca -0.02 0.78 -0.22 0.00 -1.01 0.00 0.00 57.07 56.61 3dmk s TYR 490 Cb -0.11 -4.05 0.08 0.00 -0.11 0.00 0.00 41.96 37.76 3dmk s TYR 490 CO 0.02 -1.87 1.04 0.41 -1.11 0.00 0.00 175.55 174.04 3dmk n GLY 491 N 4.60 0.57 3.82 0.71 0.00 -1.26 -4.49 105.19 109.14 3dmk n GLY 491 Ca 0.15 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 3.43 0.36 0.99 1.02 -1.26 -4.07 118.68 119.16 3dmk s LEU 492 Ca 0.23 1.66 -0.28 0.00 0.02 0.00 0.00 54.13 55.76 3dmk s LEU 492 Cb -0.03 -4.51 -0.11 0.00 0.02 0.00 0.00 46.19 41.56 3dmk s LEU 492 CO 0.05 -1.02 1.47 -2.65 0.02 0.00 0.00 176.35 174.22 3dmk n PRO 493 N -2.19 2.58 -3.61 1.29 -0.02 -1.26 -4.36 135.00 127.43 3dmk n PRO 493 Ca 0.08 0.91 -0.06 0.00 -2.02 0.00 0.00 63.50 62.40 3dmk n PRO 493 Cb 0.53 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.97 -0.98 -0.14 6.00 6.14 -0.15 -4.48 117.35 122.76 3dmk s TYR 494 Ca 0.55 1.69 -0.07 0.00 0.64 0.00 0.00 57.07 59.88 3dmk s TYR 494 Cb -0.50 0.42 -0.04 0.00 0.42 0.00 0.00 41.96 42.27 3dmk s TYR 494 CO 0.62 -0.56 0.12 0.42 0.64 0.00 0.00 175.55 176.78 3dmk s ILE 495 N 2.69 5.29 1.03 3.14 1.01 -1.26 0.38 121.20 133.48 3dmk s ILE 495 Ca -0.01 0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 3dmk s ILE 495 Cb -0.12 -3.33 0.22 0.00 0.01 0.00 0.00 42.46 39.23 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 -0.55 0.10 0.48 2.79 0.52 -0.27 -4.88 118.95 117.15 3dmk s ARG 496 Ca 0.12 -0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 54.92 3dmk s ARG 496 Cb -0.12 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.50 3dmk s ARG 496 CO 0.02 -2.81 1.01 -0.65 0.02 0.00 0.00 175.30 172.89 3dmk s GLN 497 N -5.66 3.90 -0.18 3.54 -1.52 -1.26 -4.82 119.66 113.66 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 -2.12 0.05 0.00 -0.22 0.00 0.00 33.01 30.65 3dmk s GLN 497 CO 0.54 -0.33 -0.02 -1.64 -0.25 0.00 0.00 175.29 173.59 3dmk s MET 498 N -3.38 1.13 0.45 2.91 -1.94 -1.26 -5.02 119.30 112.19 3dmk s MET 498 Ca 0.65 -0.51 -0.23 0.00 -1.71 0.00 0.00 55.69 53.88 3dmk s MET 498 Cb -0.13 -2.05 -0.08 0.00 2.01 0.00 0.00 34.83 34.58 3dmk s MET 498 CO 0.20 -0.52 1.17 -1.21 -0.01 0.00 0.00 175.02 174.66 3dmk s GLU 499 N 1.70 3.81 0.05 2.03 2.02 -1.26 -4.61 118.70 122.44 3dmk s GLU 499 Ca -0.01 1.81 -0.37 0.00 0.02 0.00 0.00 54.97 56.42 3dmk s GLU 499 Cb -0.16 -2.47 -0.17 0.00 0.10 0.00 0.00 34.13 31.43 3dmk s GLU 499 CO -0.07 -0.52 1.35 0.36 0.02 0.00 0.00 175.26 176.40 3dmk n LYS 500 N -0.36 1.05 -3.07 1.61 2.85 -1.26 -4.75 118.16 114.23 3dmk n LYS 500 Ca 0.07 0.38 -0.43 0.00 -1.05 0.00 0.00 58.31 57.28 3dmk n LYS 500 Cb 0.47 -2.02 -0.06 0.00 -0.65 0.00 0.00 35.03 32.78 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 0.67 3.30 -0.49 -1.58 2.47 -0.16 -4.95 119.74 118.99 3dmk s LYS 501 Ca 0.86 -0.34 -0.19 0.00 -1.56 0.00 0.00 55.97 54.74 3dmk s LYS 501 Cb -0.99 -3.96 0.05 0.00 -1.46 0.00 0.00 37.83 31.47 3dmk s LYS 501 CO 0.49 -1.06 0.62 0.00 0.16 0.00 0.00 175.35 175.56 3dmk s ALA 502 N 2.95 3.38 0.13 3.13 0.00 -1.26 -0.13 121.76 129.96 3dmk s ALA 502 Ca 0.24 -1.65 0.09 0.00 0.00 0.00 0.00 51.96 50.64 3dmk s ALA 502 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3dmk s ALA 502 CO 0.19 -1.96 -0.19 0.42 0.00 0.00 0.00 175.76 174.23 3dmk s ILE 503 N 2.65 2.78 0.15 0.00 -1.09 0.50 -4.93 121.20 121.26 3dmk s ILE 503 Ca 0.16 -1.59 0.06 0.00 -2.23 0.00 0.00 60.65 57.05 3dmk s ILE 503 Cb -0.18 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 3dmk s ILE 503 CO 0.13 0.06 0.02 0.68 -1.23 0.00 0.00 174.94 174.60 3dmk s VAL 504 N -1.24 3.92 -0.09 2.92 -7.23 -1.26 -0.59 120.40 116.82 3dmk s VAL 504 Ca 0.19 -1.26 -0.35 0.00 -1.81 0.00 0.00 61.98 58.74 3dmk s VAL 504 Cb -0.10 -2.95 -0.17 0.00 0.56 0.00 0.00 36.38 33.72 3dmk s VAL 504 CO 0.10 -0.05 1.00 0.00 -0.31 0.00 0.00 175.10 175.84 3dmk n ALA 505 N 0.01 -2.72 0.00 1.32 0.00 -1.23 -1.39 120.51 116.50 3dmk n ALA 505 Ca -0.10 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3dmk n ALA 505 Cb 0.54 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.74 3.00 3.77 0.00 0.00 0.23 -4.86 105.19 109.07 3dmk n GLY 506 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 2.48 -0.34 1.61 0.41 -0.48 -4.15 118.70 118.23 3dmk s GLU 507 Ca 0.00 1.21 -0.15 0.00 -0.41 0.00 0.00 54.97 55.62 3dmk s GLU 507 Cb 0.00 -1.92 -0.01 0.00 -1.78 0.00 0.00 34.13 30.42 3dmk s GLU 507 CO 0.00 -1.48 0.38 0.99 -0.49 0.00 0.00 175.26 174.66 3dmk s THR 508 N -2.75 5.15 -0.26 3.63 2.01 -1.15 -2.02 115.64 120.25 3dmk s THR 508 Ca 0.62 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 3dmk s THR 508 Cb -0.18 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3dmk s THR 508 CO 0.52 -0.11 0.87 -0.22 -0.69 0.00 0.00 174.62 174.98 3dmk s LEU 509 N 2.05 4.07 -0.16 4.42 0.20 0.33 -4.93 118.68 124.66 3dmk s LEU 509 Ca 0.12 1.00 0.01 0.00 0.69 0.00 0.00 54.13 55.95 3dmk s LEU 509 Cb -0.16 -3.24 0.01 0.00 -0.43 0.00 0.00 46.19 42.36 3dmk s LEU 509 CO 0.12 -0.59 -0.17 -0.63 -0.29 0.00 0.00 176.35 174.78 3dmk s ILE 510 N 2.99 2.40 -0.03 6.68 1.01 -1.26 -0.12 121.20 132.87 3dmk s ILE 510 Ca 0.36 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 3dmk s ILE 510 Cb -0.15 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.33 3dmk s ILE 510 CO 0.09 0.52 0.09 0.54 0.00 0.00 0.00 174.94 176.18 3dmk s VAL 511 N 1.01 -0.01 -0.17 2.92 0.11 -0.03 -5.01 120.40 119.22 3dmk s VAL 511 Ca -0.02 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 3dmk s VAL 511 Cb -0.15 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 3dmk s VAL 511 CO -0.04 0.01 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.68 3dmk s THR 512 N 0.18 2.48 -0.55 5.04 2.01 -1.26 0.35 115.64 123.89 3dmk s THR 512 Ca -0.01 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 60.90 3dmk s THR 512 Cb -0.02 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 3dmk s THR 512 CO -0.01 0.52 1.91 0.00 -0.69 0.00 0.00 174.62 176.35 3dmk s PRO 514 N 6.92 2.93 0.50 0.00 0.04 -1.26 -4.95 135.00 139.19 3dmk s PRO 514 Ca 0.73 -0.52 -0.05 0.00 0.04 0.00 0.00 61.00 61.20 3dmk s PRO 514 Cb -0.15 -5.10 -0.02 0.00 0.04 0.00 0.00 34.50 29.27 3dmk s PRO 514 CO 0.24 -2.90 0.81 0.14 0.04 0.00 0.00 177.00 175.32 3dmk s VAL 515 N 8.15 4.59 0.01 -0.36 -7.23 -1.26 -1.11 120.40 123.18 3dmk s VAL 515 Ca 0.61 0.13 -0.10 0.00 -1.81 0.00 0.00 61.98 60.80 3dmk s VAL 515 Cb -0.05 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 33.14 3dmk s VAL 515 CO -0.02 -0.74 0.20 0.00 -0.31 0.00 0.00 175.10 174.22 3dmk s ALA 516 N -2.79 -0.44 0.00 1.32 0.00 0.16 -4.55 121.76 115.46 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 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3dmk s ALA 516 CO 0.45 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.35 3dmk n GLY 517 N 1.17 1.46 0.07 0.00 0.00 -1.24 -0.98 105.19 105.66 3dmk n GLY 517 Ca -0.21 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 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 1.65 0.09 0.69 1.61 9.36 0.57 -4.16 117.16 126.96 3dmk n TYR 518 Ca 0.00 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3dmk n TYR 518 Cb 0.00 -0.85 0.00 0.00 -0.63 0.00 0.00 39.34 37.86 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 -2.61 0.69 -1.71 2.98 -0.04 -1.26 -4.86 135.00 128.19 3dmk n PRO 519 Ca -0.22 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 3dmk n PRO 519 Cb 0.95 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 33.05 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 0.20 0.13 -0.10 0.52 0.00 -1.26 -3.89 119.36 114.96 3dmk n ILE 520 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 62.75 62.52 3dmk n ILE 520 Cb 0.19 -2.03 -0.07 0.00 0.00 0.00 0.00 39.64 37.73 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 4.57 1.72 -3.78 9.51 2.03 -0.78 -4.91 116.55 124.90 3dmk n ASP 521 Ca 0.17 0.29 -0.25 0.00 0.52 0.00 0.00 54.79 55.53 3dmk n ASP 521 Cb 0.36 -0.69 -0.17 0.00 -0.72 0.00 0.00 41.12 39.89 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 -6.78 2.00 -0.38 1.67 1.04 0.17 -5.00 113.70 106.42 3dmk s SER 522 Ca -0.31 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 3dmk s SER 522 Cb 0.10 -0.54 0.08 0.00 0.10 0.00 0.00 66.02 65.77 3dmk s SER 522 CO 0.40 -0.21 0.16 -0.63 0.98 0.00 0.00 173.24 173.94 3dmk s ILE 523 N 1.91 3.43 -0.06 -1.02 1.01 -1.26 -1.00 121.20 124.21 3dmk s ILE 523 Ca 0.03 -1.71 0.06 0.00 0.00 0.00 0.00 60.65 59.03 3dmk s ILE 523 Cb -0.13 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3dmk s ILE 523 CO -0.06 -0.48 -0.23 0.54 0.00 0.00 0.00 174.94 174.70 3dmk s VAL 524 N 1.24 2.22 -0.00 2.92 0.11 0.04 -4.49 120.40 122.45 3dmk s VAL 524 Ca 0.03 -1.01 -0.17 0.00 -2.93 0.00 0.00 61.98 57.90 3dmk s VAL 524 Cb -0.22 -1.82 -0.06 0.00 -1.53 0.00 0.00 36.38 32.76 3dmk s VAL 524 CO -0.02 0.57 0.48 0.26 -3.33 0.00 0.00 175.10 173.07 3dmk s TRP 525 N -0.22 3.71 0.02 1.54 0.52 -1.26 -0.48 118.94 122.77 3dmk s TRP 525 Ca -0.01 1.07 0.04 0.00 0.02 0.00 0.00 56.10 57.22 3dmk s TRP 525 Cb -0.13 -2.42 -0.02 0.00 -1.15 0.00 0.00 33.47 29.75 3dmk s TRP 525 CO 0.03 0.52 -0.12 -1.21 0.02 0.00 0.00 176.95 176.19 3dmk s GLU 526 N -0.70 0.83 -0.16 4.98 2.02 0.16 0.34 118.70 126.16 3dmk s GLU 526 Ca 0.26 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.64 3dmk s GLU 526 Cb -0.17 -0.80 0.01 0.00 0.10 0.00 0.00 34.13 33.27 3dmk s GLU 526 CO 0.15 0.20 -0.20 0.50 0.02 0.00 0.00 175.26 175.93 3dmk s ARG 527 N -0.90 3.07 -1.75 1.61 3.00 0.22 -0.85 118.95 123.35 3dmk s ARG 527 Ca 0.01 -0.82 -0.21 0.00 -1.00 0.00 0.00 55.73 53.71 3dmk s ARG 527 Cb -0.07 -2.53 0.19 0.00 0.00 0.00 0.00 34.95 32.55 3dmk s ARG 527 CO 0.01 -0.06 0.69 -0.25 0.00 0.00 0.00 175.30 175.68 3dmk n ASP 528 N 4.22 -2.65 0.00 -2.12 9.92 -1.26 -1.11 116.55 123.54 3dmk n ASP 528 Ca -0.20 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 3dmk n ASP 528 Cb 0.51 -2.22 0.00 0.00 -0.64 0.00 0.00 41.12 38.77 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 -2.53 0.00 -4.81 -2.24 4.05 -1.26 -5.02 115.26 103.44 3dmk n ASN 529 Ca 0.10 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.79 3dmk n ASN 529 Cb 0.47 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.44 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 -0.10 3.91 0.40 1.20 0.52 -0.27 -5.00 118.95 119.60 3dmk s ARG 530 Ca 0.00 1.26 -0.26 0.00 -0.52 0.00 0.00 55.73 56.21 3dmk s ARG 530 Cb 0.00 -2.12 -0.09 0.00 0.52 0.00 0.00 34.95 33.26 3dmk s ARG 530 CO 0.00 -0.33 1.26 0.00 0.02 0.00 0.00 175.30 176.25 3dmk s ALA 531 N -2.10 3.25 0.28 2.13 0.00 -1.26 -0.61 121.76 123.45 3dmk s ALA 531 Ca 0.65 1.15 0.33 0.00 0.00 0.00 0.00 51.96 54.09 3dmk s ALA 531 Cb -0.14 -3.45 1.53 0.00 0.00 0.00 0.00 23.12 21.07 3dmk s ALA 531 CO 0.19 -0.71 2.06 1.25 0.00 0.00 0.00 175.76 178.55 3dmk h LEU 532 N 2.75 0.00 -8.33 0.00 5.85 -0.43 -3.38 115.31 111.76 3dmk h LEU 532 Ca -0.49 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 57.97 3dmk h LEU 532 Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3dmk h LEU 532 CO 0.63 0.06 0.70 -2.16 -0.34 0.00 0.00 178.44 177.32 3dmk s PRO 533 N -3.87 2.24 0.00 5.25 0.04 -1.26 -4.51 135.00 132.89 3dmk s PRO 533 Ca -0.01 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.25 3dmk s PRO 533 Cb 0.11 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.81 3dmk s PRO 533 CO 0.54 -3.59 0.38 0.44 0.04 0.00 0.00 177.00 174.80 3dmk n ILE 534 N 8.06 0.11 -3.52 0.56 -6.64 -1.26 -5.10 119.36 111.57 3dmk n ILE 534 Ca 0.39 -0.15 -0.18 0.00 -1.77 0.00 0.00 62.75 61.04 3dmk n ILE 534 Cb 0.47 1.30 -0.06 0.00 -1.44 0.00 0.00 39.64 39.91 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 -0.11 -0.65 0.10 7.28 6.03 -1.26 -5.06 114.94 121.27 3dmk s ASN 535 Ca 0.00 0.69 -0.09 0.00 -1.03 0.00 0.00 52.86 52.43 3dmk s ASN 535 Cb 0.00 0.54 0.08 0.00 -3.03 0.00 0.00 41.25 38.84 3dmk s ASN 535 CO 0.00 -0.62 0.70 0.54 -2.03 0.00 0.00 177.10 175.69 3dmk n ARG 536 N 0.88 -0.12 0.31 3.55 3.00 -1.26 -0.07 116.66 122.96 3dmk n ARG 536 Ca -0.19 0.69 0.19 0.00 -0.01 0.00 0.00 57.85 58.54 3dmk n ARG 536 Cb 0.57 -1.03 1.06 0.00 0.00 0.00 0.00 32.46 33.06 3dmk n ARG 536 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3dmk h LYS 537 N 0.00 0.00 -5.75 5.56 1.79 -1.96 -3.44 116.57 112.77 3dmk h LYS 537 Ca 0.14 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.03 3dmk h LYS 537 Cb 0.25 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.83 3dmk h LYS 537 CO -0.44 0.00 -0.10 -0.65 -1.08 0.00 0.00 179.45 177.18 3dmk s GLN 538 N -4.33 4.34 0.04 3.15 -0.21 0.90 -0.67 119.66 122.88 3dmk s GLN 538 Ca -0.05 0.50 0.05 0.00 0.02 0.00 0.00 55.36 55.89 3dmk s GLN 538 Cb 0.13 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.67 3dmk s GLN 538 CO 0.45 0.11 -0.15 0.15 -2.12 0.00 0.00 175.29 173.72 3dmk s LYS 539 N 0.77 1.01 -0.01 2.91 1.02 0.38 -4.83 119.74 120.99 3dmk s LYS 539 Ca 0.27 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.42 3dmk s LYS 539 Cb -0.15 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.11 3dmk s LYS 539 CO 0.11 0.26 0.07 0.08 -0.92 0.00 0.00 175.35 174.95 3dmk s VAL 540 N -0.87 0.04 0.09 3.17 1.01 -1.26 -0.68 120.40 121.90 3dmk s VAL 540 Ca 0.03 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3dmk s VAL 540 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3dmk s VAL 540 CO 0.01 -0.17 -0.20 -0.36 0.00 0.00 0.00 175.10 174.39 3dmk s PHE 541 N -0.51 1.72 -0.32 5.22 0.08 -0.62 -5.03 117.98 118.51 3dmk s PHE 541 Ca -0.06 -0.41 0.21 0.00 0.12 0.00 0.00 56.93 56.79 3dmk s PHE 541 Cb -0.04 -0.96 1.06 0.00 -0.57 0.00 0.00 43.02 42.52 3dmk s PHE 541 CO 0.00 0.17 1.64 -0.35 -0.10 0.00 0.00 175.22 176.58 3dmk n PRO 542 N 1.25 0.15 0.02 0.24 -0.04 -1.26 -0.42 135.00 134.94 3dmk n PRO 542 Ca -0.19 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 3dmk n PRO 542 Cb 0.54 -1.91 0.36 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 -2.21 0.11 0.00 3.54 0.23 -1.26 -4.62 115.26 111.05 3dmk n ASN 543 Ca -0.00 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 3dmk n ASN 543 Cb 0.08 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.23 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 0.14 0.98 3.65 4.83 0.00 0.44 -4.91 105.19 110.32 3dmk n GLY 544 Ca 0.04 -0.02 -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 4.56 0.10 2.61 -1.32 -1.22 -0.68 115.64 117.68 3dmk s THR 545 Ca 0.00 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 3dmk s THR 545 Cb 0.00 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 3dmk s THR 545 CO 0.00 0.53 0.11 -0.22 -2.21 0.00 0.00 174.62 172.84 3dmk s LEU 546 N -0.21 3.89 -0.22 9.08 2.96 0.16 -1.59 118.68 132.75 3dmk s LEU 546 Ca 0.07 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 3dmk s LEU 546 Cb -0.12 -2.54 0.10 0.00 0.50 0.00 0.00 46.19 44.13 3dmk s LEU 546 CO 0.02 0.15 0.43 -0.51 -1.32 0.00 0.00 176.35 175.11 3dmk s ILE 547 N -1.49 -0.67 -0.18 6.68 2.07 0.14 -0.85 121.20 126.90 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 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 3dmk s ILE 547 CO 0.23 0.03 0.07 -0.63 -1.91 0.00 0.00 174.94 172.73 3dmk s ILE 548 N 2.62 4.91 -0.01 2.00 1.01 0.82 -0.47 121.20 132.09 3dmk s ILE 548 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 3dmk s ILE 548 Cb -0.13 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 3dmk s ILE 548 CO -0.14 0.46 0.13 -0.33 0.00 0.00 0.00 174.94 175.06 3dmk h GLU 549 N 6.67 -0.01 -4.27 2.79 3.07 -1.18 0.95 114.58 122.59 3dmk h GLU 549 Ca -0.38 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 57.76 3dmk h GLU 549 Cb 1.16 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.77 3dmk h GLU 549 CO 0.72 -0.01 -0.40 1.21 -1.40 0.00 0.00 179.01 179.13 3dmk s ASN 550 N -3.07 5.65 0.14 1.42 3.84 -1.26 -2.92 114.94 118.74 3dmk s ASN 550 Ca -0.00 -2.01 -0.30 0.00 0.21 0.00 0.00 52.86 50.76 3dmk s ASN 550 Cb 0.00 -1.98 -0.07 0.00 -0.55 0.00 0.00 41.25 38.64 3dmk s ASN 550 CO 0.01 -0.65 1.25 -0.69 -2.79 0.00 0.00 177.10 174.22 3dmk s VAL 551 N 1.22 3.60 -0.03 -5.21 1.01 -0.86 -4.73 120.40 115.40 3dmk s VAL 551 Ca 0.07 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 3dmk s VAL 551 Cb -0.25 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3dmk s VAL 551 CO -0.02 0.15 0.13 -1.83 0.00 0.00 0.00 175.10 173.54 3dmk s GLU 552 N 0.35 0.29 0.00 2.72 -1.05 -1.26 0.78 118.70 120.53 3dmk s GLU 552 Ca 0.57 -0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 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 0.51 -2.13 0.95 0.00 0.00 175.26 174.87 3dmk n ARG 553 N 2.34 0.00 0.30 -4.83 0.63 -1.26 -0.70 116.66 113.14 3dmk n ARG 553 Ca -0.17 0.07 0.19 0.00 -0.92 0.00 0.00 57.85 57.02 3dmk n ARG 553 Cb 0.57 -1.02 1.02 0.00 0.45 0.00 0.00 32.46 33.49 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 -1.98 0.33 115.58 120.34 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 -0.30 0.00 6.14 0.87 -1.98 -3.43 113.55 114.85 3dmk h SER 555 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3dmk h SER 555 Cb 0.11 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 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 0.86 -4.63 6.23 5.75 0.12 -4.99 116.55 114.86 3dmk n ASP 556 Ca -0.08 -1.34 -0.43 0.00 -0.01 0.00 0.00 54.79 52.93 3dmk n ASP 556 Cb 0.25 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.34 3.79 0.07 0.11 0.74 0.11 -4.90 119.66 119.25 3dmk s GLN 557 Ca 0.00 1.47 -0.23 0.00 0.05 0.00 0.00 55.36 56.66 3dmk s GLN 557 Cb 0.00 -3.99 0.08 0.00 1.10 0.00 0.00 33.01 30.19 3dmk s GLN 557 CO 0.00 -1.29 1.06 0.00 -0.55 0.00 0.00 175.29 174.51 3dmk n ALA 558 N 8.31 -2.89 -3.04 1.58 0.00 -0.47 -4.87 120.51 119.13 3dmk n ALA 558 Ca 0.18 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 3dmk n ALA 558 Cb 0.46 0.31 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 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 4.79 0.54 0.00 -4.23 -1.26 -0.30 115.64 113.11 3dmk s THR 559 Ca 0.24 -1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 59.48 3dmk s THR 559 Cb -0.02 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 3dmk s THR 559 CO 0.02 -0.54 0.88 -0.31 -0.54 0.00 0.00 174.62 174.14 3dmk s TYR 560 N 1.55 3.54 0.02 3.99 1.51 0.17 -4.69 117.35 123.44 3dmk s TYR 560 Ca 0.04 0.94 0.03 0.00 -1.01 0.00 0.00 57.07 57.07 3dmk s TYR 560 Cb -0.24 -2.51 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 3dmk s TYR 560 CO 0.05 -0.50 -0.10 0.95 -1.11 0.00 0.00 175.55 174.83 3dmk s THR 561 N -2.92 0.79 -0.08 -0.71 -4.23 -0.03 -0.26 115.64 108.20 3dmk s THR 561 Ca 0.51 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 3dmk s THR 561 Cb -0.11 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.01 3dmk s THR 561 CO 0.48 -0.03 -0.19 0.00 -0.54 0.00 0.00 174.62 174.33 3dmk s VAL 563 N 0.40 3.76 -0.12 0.00 1.01 0.37 -0.72 120.40 125.09 3dmk s VAL 563 Ca -0.15 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3dmk s VAL 563 Cb -0.16 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3dmk s VAL 563 CO 0.06 0.51 -0.18 0.00 0.00 0.00 0.00 175.10 175.49 3dmk s ALA 564 N 0.26 1.94 0.00 5.51 0.00 -0.11 -0.78 121.76 128.57 3dmk s ALA 564 Ca -0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3dmk s ALA 564 Cb -0.14 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 3dmk s ALA 564 CO 0.03 -0.08 -0.03 -1.59 0.00 0.00 0.00 175.76 174.08 3dmk s LYS 565 N 0.96 0.28 0.67 0.00 -2.85 -0.17 0.08 119.74 118.71 3dmk s LYS 565 Ca -0.06 -0.17 -0.04 0.00 -1.00 0.00 0.00 55.97 54.70 3dmk s LYS 565 Cb -0.15 -0.24 0.07 0.00 -2.06 0.00 0.00 37.83 35.44 3dmk s LYS 565 CO -0.03 0.06 0.96 0.54 0.10 0.00 0.00 175.35 176.99 3dmk s ASN 566 N -0.20 4.81 0.51 0.03 4.22 -0.43 -0.66 114.94 123.22 3dmk s ASN 566 Ca 0.00 0.22 -0.21 0.00 -2.14 0.00 0.00 52.86 50.73 3dmk s ASN 566 Cb -0.02 -0.88 -0.07 0.00 1.28 0.00 0.00 41.25 41.56 3dmk s ASN 566 CO -0.00 -1.55 1.04 0.00 -2.04 0.00 0.00 177.10 174.55 3dmk n GLN 567 N -2.79 1.24 -3.21 3.55 6.02 -1.25 -3.90 117.38 117.05 3dmk n GLN 567 Ca 0.09 0.46 -0.15 0.00 -0.01 0.00 0.00 57.00 57.39 3dmk n GLN 567 Cb 0.60 -2.18 0.01 0.00 1.02 0.00 0.00 30.24 29.69 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 -0.47 -1.84 0.00 -1.09 0.28 -1.26 -4.52 120.64 111.74 3dmk n GLU 568 Ca 0.11 1.57 0.00 0.00 -0.16 0.00 0.00 57.16 58.68 3dmk n GLU 568 Cb 0.43 -4.41 0.00 0.00 1.43 0.00 0.00 31.44 28.90 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 -0.95 2.00 3.67 -1.84 0.00 -1.25 -5.00 105.19 101.82 3dmk n GLY 569 Ca -0.03 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 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 2.06 -4.08 1.61 4.01 -1.26 -4.78 117.16 114.73 3dmk n TYR 570 Ca 0.00 0.53 -0.10 0.00 -0.16 0.00 0.00 57.90 58.18 3dmk n TYR 570 Cb 0.00 -2.40 -0.09 0.00 -0.31 0.00 0.00 39.34 36.54 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 -0.11 0.20 -0.04 7.72 1.04 -1.26 -1.32 113.70 119.94 3dmk s SER 571 Ca 0.61 -1.08 -0.10 0.00 0.48 0.00 0.00 55.95 55.86 3dmk s SER 571 Cb -0.63 0.35 0.02 0.00 0.10 0.00 0.00 66.02 65.86 3dmk s SER 571 CO 0.57 -0.80 0.23 0.00 0.98 0.00 0.00 173.24 174.22 3dmk s ALA 572 N -4.02 -0.57 -0.05 5.32 0.00 0.11 -4.81 121.76 117.75 3dmk s ALA 572 Ca 0.22 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.52 3dmk s ALA 572 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3dmk s ALA 572 CO 0.01 -0.20 -0.18 1.03 0.00 0.00 0.00 175.76 176.43 3dmk s ARG 573 N -0.86 2.44 -0.02 0.00 0.52 -1.26 -0.94 118.95 118.84 3dmk s ARG 573 Ca -0.09 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 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 -0.14 0.20 0.02 0.00 0.00 175.30 175.97 3dmk s GLY 574 N -0.61 0.72 -0.25 -3.53 0.00 0.10 -4.72 107.32 99.04 3dmk s GLY 574 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3dmk s GLY 574 CO 0.01 -0.46 -0.11 -0.56 0.00 0.00 0.00 173.10 171.98 3dmk s SER 575 N -0.25 4.24 -0.09 1.64 0.01 -1.26 -0.50 113.70 117.49 3dmk s SER 575 Ca 0.04 -1.17 -0.09 0.00 1.31 0.00 0.00 55.95 56.03 3dmk s SER 575 Cb -0.07 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.55 3dmk s SER 575 CO -0.00 -0.15 0.22 -0.22 0.41 0.00 0.00 173.24 173.49 3dmk s LEU 576 N 1.19 4.41 -0.63 2.44 2.96 0.64 -4.55 118.68 125.13 3dmk s LEU 576 Ca -0.05 0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 3dmk s LEU 576 Cb -0.18 -2.23 0.16 0.00 0.50 0.00 0.00 46.19 44.45 3dmk s LEU 576 CO -0.06 0.38 0.47 -0.70 -1.32 0.00 0.00 176.35 175.12 3dmk s GLU 577 N -0.99 2.69 -0.41 1.98 2.12 -1.26 0.44 118.70 123.27 3dmk s GLU 577 Ca 0.17 -2.43 -0.26 0.00 0.36 0.00 0.00 54.97 52.82 3dmk s GLU 577 Cb -0.13 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.43 3dmk s GLU 577 CO 0.07 -1.19 0.96 0.08 -0.54 0.00 0.00 175.26 174.64 3dmk s VAL 578 N 0.14 4.50 -0.13 3.70 1.01 0.58 -0.99 120.40 129.21 3dmk s VAL 578 Ca 0.16 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 3dmk s VAL 578 Cb -0.19 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3dmk s VAL 578 CO -0.04 -0.69 0.08 -1.58 0.00 0.00 0.00 175.10 172.87 3dmk s GLN 579 N 3.69 3.50 -0.43 2.72 0.74 0.82 -1.37 119.66 129.33 3dmk s GLN 579 Ca 0.39 -0.28 -0.10 0.00 0.05 0.00 0.00 55.36 55.43 3dmk s GLN 579 Cb -0.11 -3.09 0.08 0.00 1.10 0.00 0.00 33.01 31.00 3dmk s GLN 579 CO 0.23 0.58 0.28 0.08 -0.55 0.00 0.00 175.29 175.91 3dmk s VAL 580 N -0.50 4.30 0.59 1.34 1.01 -1.25 -0.37 120.40 125.51 3dmk s VAL 580 Ca 0.11 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 3dmk s VAL 580 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3dmk s VAL 580 CO 0.02 -0.55 1.07 -0.04 0.00 0.00 0.00 175.10 175.60 3dmk s MET 581 N 1.43 3.28 -0.15 2.72 -1.94 0.24 -4.94 119.30 119.93 3dmk s MET 581 Ca 0.04 1.29 0.01 0.00 -1.71 0.00 0.00 55.69 55.32 3dmk s MET 581 Cb -0.24 -2.02 0.02 0.00 2.01 0.00 0.00 34.83 34.60 3dmk s MET 581 CO 0.02 -0.85 -0.18 0.54 -0.01 0.00 0.00 175.02 174.53 3dmk s VAL 582 N -2.32 1.87 0.14 -6.03 0.11 -1.26 -3.51 120.40 109.40 3dmk s VAL 582 Ca 0.65 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 3dmk s VAL 582 Cb -0.18 -1.69 -0.07 0.00 -1.53 0.00 0.00 36.38 32.92 3dmk s VAL 582 CO 0.35 0.51 1.08 -0.22 -3.33 0.00 0.00 175.10 173.49 3dmk s LEU 583 N 1.20 4.47 0.26 2.54 0.20 -1.26 -2.05 118.68 124.04 3dmk s LEU 583 Ca 0.01 2.00 -0.30 0.00 0.69 0.00 0.00 54.13 56.53 3dmk s LEU 583 Cb -0.14 -3.60 -0.10 0.00 -0.43 0.00 0.00 46.19 41.92 3dmk s LEU 583 CO -0.09 -0.23 1.49 -2.16 -0.29 0.00 0.00 176.35 175.08 3dmk s PRO 584 N -0.04 4.22 -0.41 0.98 0.04 -1.26 -4.66 135.00 133.87 3dmk s PRO 584 Ca 0.50 2.39 -0.09 0.00 0.04 0.00 0.00 61.00 63.85 3dmk s PRO 584 Cb -0.28 -3.08 0.07 0.00 0.04 0.00 0.00 34.50 31.25 3dmk s PRO 584 CO 0.33 -0.49 0.24 0.50 0.04 0.00 0.00 177.00 177.61 3dmk s ARG 585 N -0.40 2.60 0.01 4.56 3.52 -0.43 -4.77 118.95 124.03 3dmk s ARG 585 Ca 0.61 -1.42 -0.27 0.00 -0.13 0.00 0.00 55.73 54.51 3dmk s ARG 585 Cb -0.44 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 3dmk s ARG 585 CO 0.45 -0.91 0.87 -1.50 -0.81 0.00 0.00 175.30 173.39 3dmk s ILE 586 N 1.42 4.82 -0.05 4.11 2.07 -1.26 -3.39 121.20 128.92 3dmk s ILE 586 Ca 0.03 1.83 -0.17 0.00 -1.41 0.00 0.00 60.65 60.93 3dmk s ILE 586 Cb -0.22 -4.21 -0.05 0.00 0.13 0.00 0.00 42.46 38.10 3dmk s ILE 586 CO 0.02 0.25 0.45 -0.51 -1.91 0.00 0.00 174.94 173.24 3dmk s ILE 587 N 0.58 5.07 1.14 2.00 1.10 -0.19 -5.01 121.20 125.88 3dmk s ILE 587 Ca 0.45 0.92 -0.13 0.00 -0.51 0.00 0.00 60.65 61.38 3dmk s ILE 587 Cb -0.20 -3.78 0.25 0.00 0.15 0.00 0.00 42.46 38.88 3dmk s ILE 587 CO 0.25 0.46 0.93 -2.65 -2.11 0.00 0.00 174.94 171.83 3dmk n PRO 588 N 2.64 -2.13 -3.89 3.50 -0.02 -1.26 -4.45 135.00 129.39 3dmk n PRO 588 Ca -0.11 -0.59 -0.25 0.00 -2.02 0.00 0.00 63.50 60.53 3dmk n PRO 588 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.42 1.91 -0.29 6.00 0.08 -1.26 -4.93 117.98 117.07 3dmk s PHE 589 Ca 0.67 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3dmk s PHE 589 Cb -0.24 -1.95 0.19 0.00 -0.57 0.00 0.00 43.02 40.44 3dmk s PHE 589 CO 0.64 -0.33 0.56 0.00 -0.10 0.00 0.00 175.22 176.00 3dmk s ALA 590 N -2.71 -2.11 0.67 5.36 0.00 -1.26 -5.12 121.76 116.59 3dmk s ALA 590 Ca 0.36 1.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 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 -1.56 1.11 -0.06 0.00 0.00 0.00 175.76 175.47 3dmk s PHE 591 N 2.79 2.59 0.04 0.00 0.08 -1.26 -4.94 117.98 117.29 3dmk s PHE 591 Ca 0.15 1.55 -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 -1.74 1.90 -1.83 -0.10 0.00 0.00 175.22 173.21 3dmk s GLU 592 N -4.15 4.15 -1.21 0.44 -1.05 -1.26 -4.85 118.70 110.76 3dmk s GLU 592 Ca 0.67 2.55 -0.21 0.00 -0.15 0.00 0.00 54.97 57.83 3dmk s GLU 592 Cb -0.21 -4.02 -0.01 0.00 -0.44 0.00 0.00 34.13 29.46 3dmk s GLU 592 CO 0.43 -0.92 1.81 -1.83 0.95 0.00 0.00 175.26 175.71 3dmk s GLU 593 N 4.05 3.24 -0.07 -4.83 -1.05 -1.26 -4.54 118.70 114.23 3dmk s GLU 593 Ca 0.85 -1.47 -0.07 0.00 -0.15 0.00 0.00 54.97 54.13 3dmk s GLU 593 Cb -0.42 -5.37 -0.02 0.00 -0.44 0.00 0.00 34.13 27.88 3dmk s GLU 593 CO 0.39 -3.06 -0.13 0.41 0.95 0.00 0.00 175.26 173.82 3dmk n GLY 594 N 5.78 -0.56 2.18 -3.83 0.00 -1.26 -5.03 105.19 102.47 3dmk n GLY 594 Ca 0.45 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.31 -2.16 -2.23 1.61 -0.02 -1.26 -5.08 135.00 122.55 3dmk n PRO 595 Ca -0.05 -1.10 -0.42 0.00 -2.02 0.00 0.00 63.50 59.91 3dmk n PRO 595 Cb 0.19 -0.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 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 -3.11 3.54 -0.04 3.55 0.00 -1.26 -5.03 121.76 119.42 3dmk s ALA 596 Ca 0.44 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 3dmk s ALA 596 Cb -0.04 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3dmk s ALA 596 CO 0.33 -0.55 0.19 -1.14 0.00 0.00 0.00 175.76 174.59 3dmk s GLN 597 N 0.64 3.46 0.11 0.00 0.74 -1.26 -4.44 119.66 118.91 3dmk s GLN 597 Ca 0.61 -0.23 -0.36 0.00 0.05 0.00 0.00 55.36 55.43 3dmk s GLN 597 Cb -0.36 -3.12 -0.16 0.00 1.10 0.00 0.00 33.01 30.47 3dmk s GLN 597 CO 0.33 0.70 1.34 1.55 -0.55 0.00 0.00 175.29 178.66 3dmk n VAL 598 N 1.26 0.13 -1.48 1.34 3.14 -1.26 -3.23 118.33 118.23 3dmk n VAL 598 Ca -0.13 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3dmk n VAL 598 Cb 0.53 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 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 2.55 0.20 3.39 7.55 0.00 -0.21 -4.99 105.19 113.67 3dmk n GLY 599 Ca 0.18 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.98 1.65 -0.29 1.61 -1.52 -1.20 -4.80 119.66 112.13 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 -0.36 0.08 0.00 -0.22 0.00 0.00 33.01 32.51 3dmk s GLN 600 CO 0.00 -0.39 0.01 -0.47 -0.25 0.00 0.00 175.29 174.19 3dmk s TYR 601 N -3.49 2.77 -0.13 0.91 5.04 -1.26 -0.23 117.35 120.96 3dmk s TYR 601 Ca 0.33 -2.21 -0.02 0.00 -2.44 0.00 0.00 57.07 52.74 3dmk s TYR 601 Cb 0.05 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.26 3dmk s TYR 601 CO 0.16 -0.86 -0.07 -0.51 -1.34 0.00 0.00 175.55 172.93 3dmk s LEU 602 N 1.26 3.11 -0.16 6.97 1.43 0.18 -4.97 118.68 126.49 3dmk s LEU 602 Ca 0.03 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3dmk s LEU 602 Cb -0.19 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.35 3dmk s LEU 602 CO -0.11 0.22 -0.09 0.28 0.23 0.00 0.00 176.35 176.88 3dmk s THR 603 N 0.05 1.36 -0.07 5.49 -1.32 -1.26 -0.09 115.64 119.80 3dmk s THR 603 Ca -0.01 -0.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.80 3dmk s THR 603 Cb -0.14 -1.43 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 3dmk s THR 603 CO 0.03 0.24 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.33 3dmk s LEU 604 N 1.54 2.74 -0.21 9.08 2.96 0.52 -4.86 118.68 130.45 3dmk s LEU 604 Ca 0.02 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3dmk s LEU 604 Cb -0.15 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.03 3dmk s LEU 604 CO -0.09 0.31 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.90 3dmk s HIS 605 N -0.53 2.39 -0.46 5.38 5.65 -1.26 0.14 115.29 126.60 3dmk s HIS 605 Ca 0.07 -1.66 -0.14 0.00 0.25 0.00 0.00 55.06 53.58 3dmk s HIS 605 Cb -0.12 -1.60 0.07 0.00 -1.18 0.00 0.00 32.58 29.76 3dmk s HIS 605 CO 0.01 -0.75 0.37 0.00 -0.65 0.00 0.00 174.74 173.72 3dmk s SER 607 N 2.50 4.30 -0.23 0.00 0.01 -1.26 -1.15 113.70 117.87 3dmk s SER 607 Ca 0.04 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 3dmk s SER 607 Cb -0.24 -1.18 0.12 0.00 0.21 0.00 0.00 66.02 64.93 3dmk s SER 607 CO 0.06 0.30 0.35 -0.69 0.41 0.00 0.00 173.24 173.67 3dmk s VAL 608 N -0.46 -0.55 0.25 3.43 1.01 -1.26 -1.02 120.40 121.80 3dmk s VAL 608 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3dmk s VAL 608 Cb -0.12 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 3dmk s VAL 608 CO 0.02 -0.12 0.61 -2.16 0.00 0.00 0.00 175.10 173.45 3dmk s PRO 609 N 2.51 3.88 0.00 2.72 0.04 -1.22 -4.91 135.00 138.02 3dmk s PRO 609 Ca 0.11 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.56 3dmk s PRO 609 Cb -0.15 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3dmk s PRO 609 CO -0.15 0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.58 3dmk n GLY 610 N -0.15 -0.58 3.53 0.56 0.00 -1.26 -1.32 105.19 105.96 3dmk n GLY 610 Ca 0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 0.42 3.15 -0.02 0.00 -0.87 -4.91 105.19 102.95 3dmk n GLY 611 Ca 0.00 0.82 -0.35 0.00 0.00 0.00 0.00 46.02 46.49 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 12.53 -4.33 0.00 1.61 8.00 -1.26 -4.38 116.55 128.72 3dmk n ASP 612 Ca 0.39 0.19 0.00 0.00 0.71 0.00 0.00 54.79 56.09 3dmk n ASP 612 Cb 0.38 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 1.70 0.00 -4.69 0.64 7.99 -1.26 -4.82 117.00 116.56 3dmk n LEU 613 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.59 3dmk n LEU 613 Cb 0.57 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.86 3dmk n LEU 613 CO 0.51 0.00 1.18 -2.16 -1.51 0.00 0.00 177.39 175.41 3dmk s PRO 614 N 0.00 4.26 -0.27 3.23 0.04 -1.26 -4.96 135.00 136.04 3dmk s PRO 614 Ca 0.00 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 3dmk s PRO 614 Cb 0.00 -3.59 0.11 0.00 0.04 0.00 0.00 34.50 31.07 3dmk s PRO 614 CO 0.00 -0.62 0.22 -0.51 0.04 0.00 0.00 177.00 176.13 3dmk s LEU 615 N 2.49 0.06 -0.50 -3.56 1.43 -1.26 -4.26 118.68 113.08 3dmk s LEU 615 Ca 0.66 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 3dmk s LEU 615 Cb -0.33 0.17 0.09 0.00 0.03 0.00 0.00 46.19 46.15 3dmk s LEU 615 CO 0.28 -0.40 0.46 0.21 0.23 0.00 0.00 176.35 177.13 3dmk s ASN 616 N 2.26 6.17 -0.23 2.29 3.04 -0.27 -5.01 114.94 123.19 3dmk s ASN 616 Ca 0.09 -1.45 -0.07 0.00 0.04 0.00 0.00 52.86 51.47 3dmk s ASN 616 Cb -0.15 -2.20 -0.03 0.00 -1.54 0.00 0.00 41.25 37.33 3dmk s ASN 616 CO -0.30 -0.75 0.05 -0.63 -3.04 0.00 0.00 177.10 172.42 3dmk s ILE 617 N 1.74 4.22 0.23 -5.21 1.01 -1.26 -0.80 121.20 121.13 3dmk s ILE 617 Ca 0.05 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.57 3dmk s ILE 617 Cb -0.26 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 3dmk s ILE 617 CO 0.06 0.37 -0.14 -1.81 0.00 0.00 0.00 174.94 173.42 3dmk s ASP 618 N 1.38 2.83 -0.03 3.58 1.01 0.18 -5.00 116.67 120.62 3dmk s ASP 618 Ca 0.05 -1.05 0.05 0.00 0.71 0.00 0.00 52.55 52.30 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 -0.16 -0.16 0.26 0.21 0.00 0.00 175.17 175.35 3dmk s TRP 619 N -2.88 2.64 -0.04 4.23 0.52 -1.26 -0.88 118.94 121.26 3dmk s TRP 619 Ca 0.25 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.18 3dmk s TRP 619 Cb -0.01 -1.59 0.02 0.00 -1.15 0.00 0.00 33.47 30.75 3dmk s TRP 619 CO 0.09 0.17 -0.04 0.95 0.02 0.00 0.00 176.95 178.15 3dmk s THR 620 N -0.75 0.46 -0.11 2.01 -4.23 0.27 -4.38 115.64 108.90 3dmk s THR 620 Ca 0.12 -0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 3dmk s THR 620 Cb -0.11 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.20 3dmk s THR 620 CO 0.01 0.20 0.01 -0.22 -0.54 0.00 0.00 174.62 174.09 3dmk s LEU 621 N 0.89 3.60 -0.31 4.79 0.20 -0.35 -0.85 118.68 126.64 3dmk s LEU 621 Ca -0.11 0.10 -0.11 0.00 0.69 0.00 0.00 54.13 54.70 3dmk s LEU 621 Cb -0.14 -1.85 -0.07 0.00 -0.43 0.00 0.00 46.19 43.70 3dmk s LEU 621 CO -0.00 0.31 0.88 -0.67 -0.29 0.00 0.00 176.35 176.58 3dmk n ASP 622 N 2.58 0.13 0.00 3.68 2.03 -0.71 -0.57 116.55 123.68 3dmk n ASP 622 Ca -0.18 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.22 3dmk n ASP 622 Cb 0.53 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 2.28 2.30 1.70 0.27 0.00 -1.26 -5.03 105.19 105.45 3dmk n GLY 623 Ca 0.22 -0.42 -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 -1.50 -0.27 0.00 -2.00 0.00 0.00 57.00 53.23 3dmk n GLN 624 Cb 0.00 1.38 -0.17 0.00 -4.06 0.00 0.00 30.24 27.40 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 -2.31 1.00 0.00 1.69 0.00 -1.26 -1.22 121.76 119.66 3dmk s ALA 625 Ca 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dmk s ALA 625 Cb -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3dmk s ALA 625 CO 0.12 -1.13 0.00 1.51 0.00 0.00 0.00 175.76 176.25 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 40.57 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 6.25 0.39 9.51 0.15 -1.26 -4.99 113.70 123.75 3dmk s SER 627 Ca 0.00 -0.07 0.17 0.00 0.70 0.00 0.00 55.95 56.75 3dmk s SER 627 Cb 0.00 -2.23 1.08 0.00 -1.71 0.00 0.00 66.02 63.16 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 8.42 0.41 -1.07 5.44 5.08 -1.92 0.25 114.58 131.18 3dmk h GLU 628 Ca -0.29 -0.02 0.36 0.00 -1.00 0.00 0.00 59.36 58.40 3dmk h GLU 628 Cb 1.14 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.15 3dmk h GLU 628 CO 0.72 0.27 0.63 -0.44 -1.00 0.00 0.00 179.01 179.19 3dmk h ASP 629 N 0.42 0.42 -0.50 1.42 5.19 -1.95 -0.39 116.42 121.03 3dmk h ASP 629 Ca 0.58 0.18 0.10 0.00 -0.62 0.00 0.00 57.03 57.28 3dmk h ASP 629 Cb 1.43 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 41.06 3dmk h ASP 629 CO -0.29 -0.18 0.35 0.25 -3.12 0.00 0.00 179.24 176.25 3dmk h LEU 630 N 0.23 0.21 -0.27 1.55 5.85 -1.36 -3.46 115.31 118.05 3dmk h LEU 630 Ca 0.76 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.49 3dmk h LEU 630 Cb 1.95 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.94 3dmk h LEU 630 CO -0.57 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.27 3dmk n GLY 631 N -1.56 0.85 2.73 3.75 0.00 -0.15 -5.07 105.19 105.74 3dmk n GLY 631 Ca 0.08 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.09 -0.17 -0.48 -0.61 1.01 -1.26 -4.78 121.20 112.83 3dmk s ILE 632 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 3dmk s ILE 632 Cb 0.00 -0.24 0.05 0.00 0.01 0.00 0.00 42.46 42.28 3dmk s ILE 632 CO 0.00 0.14 0.54 -0.89 0.00 0.00 0.00 174.94 174.73 3dmk s THR 633 N 2.22 4.99 -0.30 2.92 2.01 0.19 -4.86 115.64 122.81 3dmk s THR 633 Ca 0.04 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 3dmk s THR 633 Cb -0.12 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 3dmk s THR 633 CO -0.05 -0.66 0.38 0.28 -0.69 0.00 0.00 174.62 173.88 3dmk s THR 634 N 2.34 5.16 0.25 -0.82 -1.32 -1.26 -0.47 115.64 119.52 3dmk s THR 634 Ca 0.13 0.39 0.11 0.00 -1.21 0.00 0.00 61.69 61.11 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 0.05 -0.19 -0.55 -2.21 0.00 0.00 174.62 171.84 3dmk s SER 635 N 1.68 3.30 0.38 8.08 0.15 -0.34 -5.02 113.70 121.94 3dmk s SER 635 Ca 0.14 -1.01 0.07 0.00 0.70 0.00 0.00 55.95 55.86 3dmk s SER 635 Cb -0.16 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.89 3dmk s SER 635 CO 0.11 -0.01 0.42 -0.13 1.20 0.00 0.00 173.24 174.83 3dmk s ARG 636 N -3.45 2.76 0.00 5.44 0.52 -1.26 -0.79 118.95 122.17 3dmk s ARG 636 Ca 0.27 -1.31 0.08 0.00 -0.52 0.00 0.00 55.73 54.25 3dmk s ARG 636 Cb -0.04 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 3dmk s ARG 636 CO 0.12 -0.09 -0.25 0.08 0.02 0.00 0.00 175.30 175.18 3dmk s VAL 637 N -2.34 1.98 0.00 3.52 1.01 0.51 -4.69 120.40 120.38 3dmk s VAL 637 Ca 0.47 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3dmk s VAL 637 Cb -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3dmk s VAL 637 CO 0.29 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3dmk n GLY 638 N 2.26 0.00 2.37 4.51 0.00 -1.26 -0.67 105.19 112.40 3dmk n GLY 638 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 3.65 -4.07 1.61 3.00 -1.26 -4.68 116.66 113.04 3dmk n ARG 639 Ca 0.00 -2.60 -0.30 0.00 -0.00 0.00 0.00 57.85 54.94 3dmk n ARG 639 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 32.46 29.90 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 2.20 -1.94 -2.46 -0.14 5.12 -0.47 -5.02 116.66 113.95 3dmk n ARG 640 Ca 0.62 0.26 -0.17 0.00 -1.93 0.00 0.00 57.85 56.64 3dmk n ARG 640 Cb 0.38 -3.93 0.07 0.00 -1.16 0.00 0.00 32.46 27.82 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 -2.19 1.52 3.16 -0.13 0.00 0.15 -4.74 105.19 102.97 3dmk n GLY 641 Ca -0.28 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.47 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 -4.05 -0.21 -0.14 1.61 0.15 -0.30 -0.37 113.70 110.39 3dmk s SER 642 Ca 0.51 0.33 -0.02 0.00 0.70 0.00 0.00 55.95 57.47 3dmk s SER 642 Cb -0.04 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 3dmk s SER 642 CO 0.33 -0.21 0.02 0.68 1.20 0.00 0.00 173.24 175.26 3dmk s VAL 643 N -0.39 0.46 -0.43 4.45 -7.23 0.03 -0.60 120.40 116.69 3dmk s VAL 643 Ca -0.05 -0.26 -0.20 0.00 -1.81 0.00 0.00 61.98 59.65 3dmk s VAL 643 Cb -0.03 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.11 3dmk s VAL 643 CO 0.01 -0.01 0.63 -0.22 -0.31 0.00 0.00 175.10 175.21 3dmk s LEU 644 N 1.91 4.51 -0.16 1.32 2.96 0.12 -1.19 118.68 128.15 3dmk s LEU 644 Ca 0.02 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3dmk s LEU 644 Cb -0.15 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 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 2.78 4.58 -0.40 3.68 -4.23 0.38 -0.35 115.64 122.07 3dmk s THR 645 Ca 0.22 -0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 3dmk s THR 645 Cb -0.14 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.80 3dmk s THR 645 CO 0.18 0.50 0.18 -0.63 -0.54 0.00 0.00 174.62 174.32 3dmk s ILE 646 N 0.05 1.47 0.35 2.99 1.01 0.87 -0.64 121.20 127.30 3dmk s ILE 646 Ca 0.04 -2.30 -0.18 0.00 0.00 0.00 0.00 60.65 58.21 3dmk s ILE 646 Cb -0.12 -2.05 -0.10 0.00 0.01 0.00 0.00 42.46 40.20 3dmk s ILE 646 CO 0.01 -0.80 0.82 -1.83 0.00 0.00 0.00 174.94 173.15 3dmk s GLU 647 N 0.69 4.15 -0.89 2.79 -1.05 -1.26 -0.64 118.70 122.48 3dmk s GLU 647 Ca 0.15 0.90 -0.04 0.00 -0.15 0.00 0.00 54.97 55.83 3dmk s GLU 647 Cb -0.22 -2.42 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 3dmk s GLU 647 CO -0.07 0.13 0.80 0.00 0.95 0.00 0.00 175.26 177.07 3dmk n ALA 648 N -0.26 -2.43 -1.72 -0.84 0.00 0.68 -4.93 120.51 111.00 3dmk n ALA 648 Ca 0.04 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 3dmk n ALA 648 Cb 0.53 -3.98 -0.02 0.00 0.00 0.00 0.00 19.45 15.97 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 -2.61 0.72 -4.44 0.00 0.31 -0.16 -4.77 118.33 107.38 3dmk n VAL 649 Ca -0.04 -0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 3dmk n VAL 649 Cb 0.57 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 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 -0.03 1.57 0.30 5.55 2.02 -1.26 -1.05 118.70 125.80 3dmk s GLU 650 Ca 0.68 -1.79 0.02 0.00 0.02 0.00 0.00 54.97 53.91 3dmk s GLU 650 Cb -0.54 -1.23 0.58 0.00 0.10 0.00 0.00 34.13 33.04 3dmk s GLU 650 CO 0.44 0.07 1.89 0.00 0.02 0.00 0.00 175.26 177.68 3dmk h ALA 651 N 2.27 1.56 -0.22 5.21 0.00 -1.97 -0.26 119.26 125.85 3dmk h ALA 651 Ca -0.40 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.57 3dmk h ALA 651 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3dmk h ALA 651 CO 0.67 0.25 0.22 0.77 0.00 0.00 0.00 179.25 181.16 3dmk h SER 652 N 0.97 0.00 0.33 0.00 0.02 -2.01 -0.58 113.55 112.28 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 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 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 -3.93 0.00 -2.49 3.45 8.25 -0.11 -4.86 115.22 115.54 3dmk n HIS 653 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 3dmk n HIS 653 Cb 0.35 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.34 3.36 0.00 -1.41 0.00 -0.23 -4.92 121.76 116.22 3dmk s ALA 654 Ca 0.35 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3dmk s ALA 654 Cb 0.20 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3dmk s ALA 654 CO 0.41 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3dmk n GLY 655 N 1.09 0.97 3.59 0.00 0.00 -0.18 -5.03 105.19 105.63 3dmk n GLY 655 Ca -0.00 -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 6.51 -0.09 1.61 -0.87 -1.26 -0.99 114.94 115.85 3dmk s ASN 656 Ca 0.00 0.35 -0.04 0.00 -1.57 0.00 0.00 52.86 51.60 3dmk s ASN 656 Cb 0.00 -2.36 -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 0.00 177.10 173.62 3dmk s PHE 657 N 2.84 3.35 -0.11 2.20 0.40 -0.60 -1.74 117.98 124.32 3dmk s PHE 657 Ca 0.28 0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.89 3dmk s PHE 657 Cb -0.14 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.60 3dmk s PHE 657 CO 0.14 0.59 0.23 0.99 0.70 0.00 0.00 175.22 177.87 3dmk s THR 658 N -0.98 -0.20 -0.48 0.64 2.01 -0.03 -0.35 115.64 116.24 3dmk s THR 658 Ca 0.15 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 3dmk s THR 658 Cb -0.12 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.04 3dmk s THR 658 CO 0.05 0.09 0.98 0.00 -0.69 0.00 0.00 174.62 175.05 3dmk s HIS 660 N 3.96 3.28 -0.13 0.00 5.04 -0.06 -1.49 115.29 125.89 3dmk s HIS 660 Ca 0.39 -1.17 0.01 0.00 -1.54 0.00 0.00 55.06 52.74 3dmk s HIS 660 Cb -0.10 -3.05 0.02 0.00 0.04 0.00 0.00 32.58 29.49 3dmk s HIS 660 CO 0.27 -0.81 -0.14 0.00 -2.34 0.00 0.00 174.74 171.72 3dmk s ALA 661 N 1.55 1.77 0.16 1.58 0.00 -0.24 -0.65 121.76 125.94 3dmk s ALA 661 Ca 0.04 -0.83 0.10 0.00 0.00 0.00 0.00 51.96 51.27 3dmk s ALA 661 Cb -0.24 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3dmk s ALA 661 CO 0.05 -0.29 -0.23 -0.98 0.00 0.00 0.00 175.76 174.30 3dmk s ARG 662 N 1.36 1.40 -0.05 0.00 1.70 0.02 -1.20 118.95 122.19 3dmk s ARG 662 Ca 0.02 -1.42 -0.02 0.00 -0.47 0.00 0.00 55.73 53.83 3dmk s ARG 662 Cb -0.13 -1.72 0.03 0.00 -0.57 0.00 0.00 34.95 32.56 3dmk s ARG 662 CO -0.08 0.38 0.10 1.21 -1.08 0.00 0.00 175.30 175.84 3dmk s ASN 663 N -2.44 -0.07 0.00 -2.89 3.84 -0.01 -1.12 114.94 112.25 3dmk s ASN 663 Ca 0.17 0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.45 3dmk s ASN 663 Cb -0.08 0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.76 3dmk s ASN 663 CO 0.08 -0.10 0.00 -0.11 -2.79 0.00 0.00 177.10 174.18 3dmk n LEU 664 N 3.73 0.00 -1.23 3.21 7.94 -1.26 -0.22 117.00 129.17 3dmk n LEU 664 Ca -0.21 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.63 3dmk n LEU 664 Cb 0.54 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.51 3dmk n LEU 664 CO 0.21 0.00 0.06 0.00 -1.11 0.00 0.00 177.39 176.54 3dmk n ALA 665 N 0.00 -0.31 0.00 1.96 0.00 -1.26 -4.92 120.51 115.98 3dmk n ALA 665 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3dmk n ALA 665 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.87 2.23 3.08 0.00 0.00 0.69 -4.83 105.19 105.49 3dmk n GLY 666 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.69 0.13 1.61 -3.43 -1.26 -0.83 115.29 108.81 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 0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 31.22 3dmk s HIS 667 CO 0.00 -0.52 -0.16 -0.65 -2.00 0.00 0.00 174.74 171.41 3dmk s GLN 668 N 2.54 1.09 0.12 -0.38 -1.52 -0.34 -4.98 119.66 116.19 3dmk s GLN 668 Ca 0.03 -1.26 -0.15 0.00 -1.95 0.00 0.00 55.36 52.04 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 0.36 1.14 -0.25 0.00 0.00 175.29 176.63 3dmk s GLN 669 N -2.57 1.03 -0.02 2.91 -2.07 -1.26 -1.08 119.66 116.59 3dmk s GLN 669 Ca 0.10 -0.75 -0.02 0.00 -1.82 0.00 0.00 55.36 52.86 3dmk s GLN 669 Cb -0.06 0.45 0.00 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 0.00 175.29 173.80 3dmk s PHE 670 N -3.81 -0.05 -0.06 9.60 5.36 -0.56 -5.00 117.98 123.46 3dmk s PHE 670 Ca 0.03 0.12 0.03 0.00 -0.96 0.00 0.00 56.93 56.15 3dmk s PHE 670 Cb 0.02 0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.69 3dmk s PHE 670 CO -0.12 -0.04 -0.13 0.99 -1.46 0.00 0.00 175.22 174.46 3dmk s THR 671 N -0.06 3.18 -0.00 0.12 2.01 -1.26 -0.74 115.64 118.89 3dmk s THR 671 Ca -0.01 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3dmk s THR 671 Cb -0.01 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3dmk s THR 671 CO 0.00 0.59 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.54 3dmk s THR 672 N -0.63 0.66 0.29 -0.82 2.01 0.52 -4.99 115.64 112.68 3dmk s THR 672 Ca 0.09 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 3dmk s THR 672 Cb -0.11 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 3dmk s THR 672 CO 0.01 0.16 0.89 -2.16 -0.69 0.00 0.00 174.62 172.83 3dmk s PRO 673 N -0.26 4.50 -0.33 4.92 0.05 -1.26 -1.55 135.00 141.07 3dmk s PRO 673 Ca 0.03 1.21 0.02 0.00 0.05 0.00 0.00 61.00 62.31 3dmk s PRO 673 Cb -0.03 -2.83 0.10 0.00 0.05 0.00 0.00 34.50 31.79 3dmk s PRO 673 CO -0.00 0.31 0.07 -1.17 0.05 0.00 0.00 177.00 176.26 3dmk s LEU 674 N -2.02 3.94 -0.42 -3.56 0.20 -0.16 -4.92 118.68 111.73 3dmk s LEU 674 Ca 0.48 -2.00 -0.09 0.00 0.69 0.00 0.00 54.13 53.20 3dmk s LEU 674 Cb -0.18 -1.38 0.08 0.00 -0.43 0.00 0.00 46.19 44.28 3dmk s LEU 674 CO 0.23 -0.39 0.27 0.20 -0.29 0.00 0.00 176.35 176.37 3dmk s ASN 675 N 1.11 5.64 0.00 3.68 0.01 -1.26 -1.01 114.94 123.11 3dmk s ASN 675 Ca 0.11 -1.54 0.02 0.00 -0.71 0.00 0.00 52.86 50.74 3dmk s ASN 675 Cb -0.19 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.50 3dmk s ASN 675 CO -0.13 -0.55 0.55 0.55 -1.51 0.00 0.00 177.10 176.01