#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgk s VAL 3 N 0.00 5.14 0.52 12.58 1.01 -1.26 -5.07 120.40 133.32 3dgk s VAL 3 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.97 3dgk s VAL 3 Cb 0.00 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.11 3dgk s VAL 3 CO 0.00 0.50 0.35 -0.36 0.00 0.00 0.00 175.10 175.59 3dgk s PHE 4 N -1.11 1.85 0.04 5.22 0.08 -1.26 -5.07 117.98 117.73 3dgk s PHE 4 Ca 0.19 -0.79 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 3dgk s PHE 4 Cb -0.12 -1.92 -0.08 0.00 -0.57 0.00 0.00 43.02 40.33 3dgk s PHE 4 CO 0.09 -0.32 1.76 1.03 -0.10 0.00 0.00 175.22 177.67 3dgk s ARG 5 N -4.20 4.17 0.00 0.44 0.52 -0.98 -4.67 118.95 114.23 3dgk s ARG 5 Ca 0.34 2.40 0.23 0.00 -0.52 0.00 0.00 55.73 58.18 3dgk s ARG 5 Cb -0.01 -3.84 0.37 0.00 0.52 0.00 0.00 34.95 31.99 3dgk s ARG 5 CO 0.21 -0.83 1.37 1.04 0.02 0.00 0.00 175.30 177.10 3dgk n GLN 6 N 6.48 2.46 -1.27 3.54 6.02 -1.26 -0.74 117.38 132.62 3dgk n GLN 6 Ca 0.17 -2.22 -0.32 0.00 -0.01 0.00 0.00 57.00 54.62 3dgk n GLN 6 Cb 0.41 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.27 3dgk n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dgk s GLU 7 N -1.58 2.01 0.00 -1.09 2.02 -1.26 -4.91 118.70 113.90 3dgk s GLU 7 Ca 0.36 1.50 -0.30 0.00 0.02 0.00 0.00 54.97 56.55 3dgk s GLU 7 Cb 0.22 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.55 3dgk s GLU 7 CO 0.31 -1.88 1.36 1.21 0.02 0.00 0.00 175.26 176.29 3dgk s ASN 8 N -2.62 6.89 0.52 -0.19 3.84 -1.26 -4.76 114.94 117.36 3dgk s ASN 8 Ca 0.68 2.08 0.17 0.00 0.21 0.00 0.00 52.86 56.00 3dgk s ASN 8 Cb -0.23 -2.56 1.29 0.00 -0.55 0.00 0.00 41.25 39.20 3dgk s ASN 8 CO 0.50 -0.68 2.14 1.62 -2.79 0.00 0.00 177.10 177.89 3dgk h VAL 9 N 4.86 0.97 0.00 -5.21 3.04 -1.94 -1.64 116.25 116.33 3dgk h VAL 9 Ca -0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3dgk h VAL 9 Cb 1.18 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3dgk h VAL 9 CO 0.89 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.92 3dgk n ASP 10 N -4.51 0.60 0.18 3.17 8.00 -1.26 -1.01 116.55 121.71 3dgk n ASP 10 Ca -0.02 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.28 3dgk n ASP 10 Cb 0.12 -0.79 0.43 0.00 -0.02 0.00 0.00 41.12 40.86 3dgk n ASP 10 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3dgk h ASP 11 N 0.00 0.00 0.00 -2.24 3.32 -1.68 -3.36 116.42 112.46 3dgk h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dgk h ASP 11 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3dgk h ASP 11 CO 0.00 0.00 -0.94 -1.22 -1.72 0.00 0.00 179.24 175.36 3dgk n TYR 12 N -2.63 0.00 -4.13 4.55 4.01 -0.37 -4.96 117.16 113.64 3dgk n TYR 12 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 3dgk n TYR 12 Cb 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.30 3dgk n TYR 12 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3dgk s TYR 13 N -1.90 0.92 -0.13 -0.72 2.02 -0.18 -0.67 117.35 116.69 3dgk s TYR 13 Ca 0.00 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3dgk s TYR 13 Cb 0.00 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.01 3dgk s TYR 13 CO 0.00 -0.03 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.36 3dgk s ASP 14 N -1.96 4.45 0.35 2.29 1.01 -0.42 -4.34 116.67 118.05 3dgk s ASP 14 Ca -0.02 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.06 3dgk s ASP 14 Cb -0.07 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 3dgk s ASP 14 CO 0.00 0.21 0.54 0.42 0.21 0.00 0.00 175.17 176.55 3dgk s THR 15 N 0.12 4.86 0.00 -1.27 -4.23 -1.26 -0.70 115.64 113.16 3dgk s THR 15 Ca -0.03 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 3dgk s THR 15 Cb -0.14 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.94 3dgk s THR 15 CO 0.04 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 3dgk n GLY 16 N -1.78 4.65 3.71 3.99 0.00 0.90 -4.94 105.19 111.72 3dgk n GLY 16 Ca -0.04 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3dgk n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dgk n GLU 17 N 0.00 2.17 -2.58 1.61 2.13 -1.26 -4.53 120.64 118.18 3dgk n GLU 17 Ca 0.00 0.76 -0.42 0.00 0.66 0.00 0.00 57.16 58.16 3dgk n GLU 17 Cb 0.00 -2.40 -0.03 0.00 0.27 0.00 0.00 31.44 29.29 3dgk n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3dgk s GLU 18 N -1.99 4.48 -0.08 5.31 2.12 -1.26 -0.14 118.70 127.13 3dgk s GLU 18 Ca 0.56 1.56 0.18 0.00 0.36 0.00 0.00 54.97 57.64 3dgk s GLU 18 Cb -0.54 -3.45 -0.28 0.00 0.26 0.00 0.00 34.13 30.13 3dgk s GLU 18 CO 0.62 -0.20 0.30 1.28 -0.54 0.00 0.00 175.26 176.72 3dgk n LEU 19 N 4.21 0.00 0.00 2.70 4.77 0.48 -4.90 117.00 124.26 3dgk n LEU 19 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3dgk n LEU 19 Cb 0.49 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3dgk n LEU 19 CO 0.54 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3dgk n GLY 20 N 1.56 -0.51 0.00 -0.72 0.00 -1.12 -4.98 105.19 99.42 3dgk n GLY 20 Ca -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3dgk n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dgk n SER 21 N 0.00 0.00 0.00 1.61 3.41 -1.26 0.16 113.62 117.54 3dgk n SER 21 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dgk n SER 21 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3dgk n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dgk n GLY 22 N -0.41 5.34 0.17 5.00 0.00 0.20 -4.99 105.19 110.50 3dgk n GLY 22 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 3dgk n GLY 22 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dgk h LYS 23 N 0.00 -0.33 0.00 1.61 3.64 -2.03 -3.33 116.57 116.13 3dgk h LYS 23 Ca 0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3dgk h LYS 23 Cb 0.00 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3dgk h LYS 23 CO 0.00 -0.22 -0.06 1.19 -2.27 0.00 0.00 179.45 178.09 3dgk n PHE 24 N -5.25 0.00 -3.86 1.91 3.72 -1.26 -5.01 117.46 107.71 3dgk n PHE 24 Ca -0.09 -0.97 -0.11 0.00 -0.05 0.00 0.00 57.45 56.23 3dgk n PHE 24 Cb 0.17 -0.15 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 3dgk n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dgk s ALA 25 N -2.73 -0.35 0.00 4.37 0.00 -1.25 -0.73 121.76 121.07 3dgk s ALA 25 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3dgk s ALA 25 Cb 0.27 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 3dgk s ALA 25 CO 0.02 -0.27 -0.01 0.54 0.00 0.00 0.00 175.76 176.03 3dgk s VAL 26 N -1.90 0.09 -0.13 0.00 0.11 -0.91 -0.63 120.40 117.03 3dgk s VAL 26 Ca -0.10 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 3dgk s VAL 26 Cb -0.05 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.70 3dgk s VAL 26 CO -0.01 -0.02 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.87 3dgk s VAL 27 N -0.16 2.55 -0.03 2.04 1.01 0.12 -0.61 120.40 125.34 3dgk s VAL 27 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3dgk s VAL 27 Cb -0.01 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3dgk s VAL 27 CO -0.00 0.54 -0.20 -0.54 0.00 0.00 0.00 175.10 174.89 3dgk s LYS 28 N 0.49 1.86 0.47 2.72 1.02 -0.21 -0.38 119.74 125.71 3dgk s LYS 28 Ca -0.12 -0.73 -0.24 0.00 0.02 0.00 0.00 55.97 54.90 3dgk s LYS 28 Cb -0.16 -1.69 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 3dgk s LYS 28 CO 0.05 0.37 1.39 0.21 -0.92 0.00 0.00 175.35 176.45 3dgk s LYS 29 N -0.27 3.56 0.18 1.68 2.20 0.80 -0.64 119.74 127.25 3dgk s LYS 29 Ca 0.02 2.33 -0.09 0.00 -0.36 0.00 0.00 55.97 57.88 3dgk s LYS 29 Cb -0.10 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 3dgk s LYS 29 CO 0.01 -0.89 0.29 0.00 -0.36 0.00 0.00 175.35 174.40 3dgk s ARG 31 N -3.99 1.28 -0.09 0.00 3.52 0.13 -1.06 118.95 118.73 3dgk s ARG 31 Ca 0.20 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 3dgk s ARG 31 Cb 0.03 -1.13 -0.02 0.00 -1.56 0.00 0.00 34.95 32.27 3dgk s ARG 31 CO 0.02 -0.03 1.15 -2.00 -0.81 0.00 0.00 175.30 173.64 3dgk s GLU 32 N 0.79 4.35 0.25 5.12 2.12 0.43 -1.31 118.70 130.45 3dgk s GLU 32 Ca -0.13 1.58 -0.04 0.00 0.36 0.00 0.00 54.97 56.74 3dgk s GLU 32 Cb -0.15 -3.58 0.35 0.00 0.26 0.00 0.00 34.13 31.00 3dgk s GLU 32 CO 0.02 -0.46 1.88 0.87 -0.54 0.00 0.00 175.26 177.03 3dgk h LYS 33 N 7.45 1.09 0.00 4.30 1.57 -1.23 0.57 116.57 130.32 3dgk h LYS 33 Ca -0.31 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 3dgk h LYS 33 Cb 1.14 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3dgk h LYS 33 CO 0.89 0.72 -0.39 0.66 -0.57 0.00 0.00 179.45 180.76 3dgk h SER 34 N 1.12 0.00 0.00 0.86 4.64 -1.92 -3.37 113.55 114.88 3dgk h SER 34 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3dgk h SER 34 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3dgk h SER 34 CO -0.15 0.39 -0.92 0.35 -0.87 0.00 0.00 176.83 175.63 3dgk n THR 35 N -3.45 0.00 -0.99 2.95 -2.24 -1.14 -5.02 114.28 104.39 3dgk n THR 35 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dgk n THR 35 Cb 0.55 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3dgk n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dgk n GLY 36 N 2.33 0.88 3.80 3.38 0.00 0.18 -5.02 105.19 110.75 3dgk n GLY 36 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3dgk n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dgk s LEU 37 N 0.00 4.04 0.01 0.99 1.43 -1.25 -4.72 118.68 119.18 3dgk s LEU 37 Ca 0.00 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 3dgk s LEU 37 Cb 0.00 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3dgk s LEU 37 CO 0.00 -0.36 0.02 -1.10 0.23 0.00 0.00 176.35 175.13 3dgk s GLN 38 N -2.85 2.80 0.34 1.70 -0.21 -1.26 -0.43 119.66 119.75 3dgk s GLN 38 Ca 0.59 -0.62 0.07 0.00 0.02 0.00 0.00 55.36 55.42 3dgk s GLN 38 Cb -0.14 -2.68 -0.02 0.00 1.00 0.00 0.00 33.01 31.16 3dgk s GLN 38 CO 0.18 0.62 0.31 0.66 -2.12 0.00 0.00 175.29 174.94 3dgk n TYR 39 N 1.23 -0.89 -4.31 0.91 4.01 -0.23 -4.38 117.16 113.50 3dgk n TYR 39 Ca -0.14 -2.77 -0.33 0.00 -0.16 0.00 0.00 57.90 54.50 3dgk n TYR 39 Cb 0.53 0.33 -0.15 0.00 -0.31 0.00 0.00 39.34 39.73 3dgk n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dgk s ALA 40 N -3.29 2.48 -0.34 -0.72 0.00 0.44 -1.02 121.76 119.31 3dgk s ALA 40 Ca 0.39 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 3dgk s ALA 40 Cb 0.02 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3dgk s ALA 40 CO 0.27 -0.19 0.30 0.00 0.00 0.00 0.00 175.76 176.14 3dgk s ALA 41 N 1.07 3.50 -0.36 0.00 0.00 0.19 0.10 121.76 126.26 3dgk s ALA 41 Ca -0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 3dgk s ALA 41 Cb -0.14 -2.74 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 3dgk s ALA 41 CO -0.05 -1.02 0.25 0.21 0.00 0.00 0.00 175.76 175.16 3dgk s LYS 42 N 1.86 3.27 -0.42 0.00 2.20 0.46 -1.05 119.74 126.05 3dgk s LYS 42 Ca 0.09 -0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 54.69 3dgk s LYS 42 Cb -0.17 -3.84 0.02 0.00 -1.51 0.00 0.00 37.83 32.33 3dgk s LYS 42 CO 0.11 -0.56 0.61 -0.06 -0.36 0.00 0.00 175.35 175.09 3dgk s PHE 43 N 1.69 3.09 -0.25 4.03 0.40 0.22 -0.85 117.98 126.31 3dgk s PHE 43 Ca 0.05 -0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 3dgk s PHE 43 Cb -0.18 -3.25 -0.05 0.00 0.51 0.00 0.00 43.02 40.06 3dgk s PHE 43 CO 0.10 -0.80 0.15 0.42 0.70 0.00 0.00 175.22 175.79 3dgk s ILE 44 N 2.71 5.16 0.13 0.64 1.01 0.54 -2.15 121.20 129.23 3dgk s ILE 44 Ca 0.21 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 3dgk s ILE 44 Cb -0.15 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 38.82 3dgk s ILE 44 CO 0.18 0.31 1.36 -0.75 0.00 0.00 0.00 174.94 176.04 3dgk s LYS 45 N 1.39 4.34 0.48 2.79 2.47 0.09 -1.27 119.74 130.03 3dgk s LYS 45 Ca 0.07 2.05 -0.14 0.00 -1.56 0.00 0.00 55.97 56.39 3dgk s LYS 45 Cb -0.15 -3.24 -0.07 0.00 -1.46 0.00 0.00 37.83 32.91 3dgk s LYS 45 CO 0.07 -0.39 0.91 0.15 0.16 0.00 0.00 175.35 176.25 3dgk s LYS 46 N 0.87 3.87 0.28 4.03 1.02 0.03 -0.77 119.74 129.06 3dgk s LYS 46 Ca 0.63 0.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.10 3dgk s LYS 46 Cb -0.36 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 3dgk s LYS 46 CO 0.32 -0.21 1.20 1.03 -0.92 0.00 0.00 175.35 176.77 3dgk s ARG 47 N -4.05 4.51 0.20 1.68 0.52 -1.05 -4.52 118.95 116.23 3dgk s ARG 47 Ca 0.56 1.97 0.17 0.00 -0.52 0.00 0.00 55.73 57.91 3dgk s ARG 47 Cb -0.10 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3dgk s ARG 47 CO 0.32 0.00 1.18 0.00 0.02 0.00 0.00 175.30 176.82 3dgk h ARG 48 N 3.99 0.00 -3.98 3.54 -0.00 -1.95 -3.48 114.38 112.51 3dgk h ARG 48 Ca -0.47 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 58.90 3dgk h ARG 48 Cb 1.22 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 31.05 3dgk h ARG 48 CO 0.68 0.32 -0.44 0.95 0.00 0.00 0.00 179.97 181.49 3dgk s THR 49 N -3.02 0.13 0.21 2.04 -4.23 -1.26 -5.06 115.64 104.44 3dgk s THR 49 Ca 0.01 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 58.99 3dgk s THR 49 Cb 0.08 -1.61 0.14 0.00 1.34 0.00 0.00 72.50 72.45 3dgk s THR 49 CO 0.77 -0.57 1.83 0.07 -0.54 0.00 0.00 174.62 176.18 3dgk h LYS 50 N 2.76 0.74 -0.01 3.99 5.09 -2.01 -2.95 116.57 124.17 3dgk h LYS 50 Ca -0.33 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.36 3dgk h LYS 50 Cb 1.20 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 33.36 3dgk h LYS 50 CO 0.56 0.49 -0.09 -1.13 -2.09 0.00 0.00 179.45 177.19 3dgk n SER 51 N -4.73 1.54 -4.69 7.07 3.41 -1.26 -4.96 113.62 109.99 3dgk n SER 51 Ca 0.08 -1.39 -0.31 0.00 -0.26 0.00 0.00 58.87 56.99 3dgk n SER 51 Cb 0.12 0.05 0.15 0.00 -0.26 0.00 0.00 64.21 64.28 3dgk n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dgk s SER 52 N -2.15 3.27 -0.01 4.04 0.15 -1.12 -4.97 113.70 112.91 3dgk s SER 52 Ca 0.33 2.04 0.12 0.00 0.70 0.00 0.00 55.95 59.14 3dgk s SER 52 Cb 0.20 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.81 3dgk s SER 52 CO 0.39 -2.86 0.34 -2.11 1.20 0.00 0.00 173.24 170.20 3dgk n ARG 53 N -4.07 1.10 -2.79 5.44 0.00 -1.26 -4.98 116.66 110.10 3dgk n ARG 53 Ca 0.11 -0.08 -0.35 0.00 -0.00 0.00 0.00 57.85 57.52 3dgk n ARG 53 Cb 0.52 -1.23 -0.07 0.00 -0.00 0.00 0.00 32.46 31.68 3dgk n ARG 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3dgk s ARG 54 N -2.67 4.39 0.00 2.89 0.52 -1.26 -4.91 118.95 117.92 3dgk s ARG 54 Ca -0.02 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 3dgk s ARG 54 Cb 0.08 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 33.07 3dgk s ARG 54 CO 0.51 0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.35 3dgk n GLY 55 N -0.05 -1.87 3.74 -3.53 0.00 -1.26 -4.44 105.19 97.77 3dgk n GLY 55 Ca 0.05 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 3dgk n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dgk s VAL 56 N -1.90 5.02 0.62 1.61 1.01 0.05 -4.68 120.40 122.13 3dgk s VAL 56 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 3dgk s VAL 56 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3dgk s VAL 56 CO 0.00 0.54 1.23 -0.94 0.00 0.00 0.00 175.10 175.92 3dgk s SER 57 N -0.31 4.97 0.27 3.32 1.04 -1.26 -2.54 113.70 119.18 3dgk s SER 57 Ca 0.09 2.44 -0.02 0.00 0.48 0.00 0.00 55.95 58.95 3dgk s SER 57 Cb -0.12 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.83 3dgk s SER 57 CO 0.01 -1.75 1.87 -0.09 0.98 0.00 0.00 173.24 174.26 3dgk h ARG 58 N 0.70 1.08 -0.51 4.02 2.43 -1.98 -1.54 114.38 118.58 3dgk h ARG 58 Ca -0.50 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.65 3dgk h ARG 58 Cb 1.31 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 3dgk h ARG 58 CO 0.54 0.71 0.25 1.49 -1.51 0.00 0.00 179.97 181.46 3dgk h GLU 59 N 1.11 0.47 -0.71 0.20 4.81 -1.99 0.86 114.58 119.34 3dgk h GLU 59 Ca 0.44 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3dgk h GLU 59 Cb 0.24 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3dgk h GLU 59 CO -0.19 0.31 0.21 -0.44 -0.73 0.00 0.00 179.01 178.16 3dgk h ASP 60 N 0.48 1.03 -0.32 1.04 3.32 -1.72 -1.63 116.42 118.63 3dgk h ASP 60 Ca 0.23 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3dgk h ASP 60 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3dgk h ASP 60 CO -0.17 0.97 -0.14 0.40 -1.72 0.00 0.00 179.24 178.57 3dgk h ILE 61 N 1.05 1.29 -0.16 0.35 2.04 -0.81 -2.45 117.51 118.83 3dgk h ILE 61 Ca 0.23 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 3dgk h ILE 61 Cb 0.31 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3dgk h ILE 61 CO -0.01 0.40 -0.20 -0.33 0.00 0.00 0.00 178.15 178.01 3dgk h GLU 62 N 0.43 0.27 -0.16 2.37 5.08 -0.69 -1.12 114.58 120.76 3dgk h GLU 62 Ca 0.07 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3dgk h GLU 62 Cb 0.66 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3dgk h GLU 62 CO 0.04 0.47 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.22 3dgk h ARG 63 N 0.25 0.42 -0.23 2.33 2.43 -1.17 -0.79 114.38 117.61 3dgk h ARG 63 Ca 0.04 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3dgk h ARG 63 Cb 0.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3dgk h ARG 63 CO 0.03 0.82 0.12 1.49 -1.51 0.00 0.00 179.97 180.92 3dgk h GLU 64 N 0.05 0.24 -0.77 0.20 4.81 -1.23 -1.70 114.58 116.18 3dgk h GLU 64 Ca 0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3dgk h GLU 64 Cb 0.77 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3dgk h GLU 64 CO 0.05 0.16 0.49 0.28 -0.73 0.00 0.00 179.01 179.26 3dgk h VAL 65 N 0.25 1.13 -0.44 0.32 2.07 -1.15 -0.46 116.25 117.97 3dgk h VAL 65 Ca 0.09 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3dgk h VAL 65 Cb 0.02 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3dgk h VAL 65 CO -0.06 0.18 -0.04 0.28 0.02 0.00 0.00 177.57 177.95 3dgk h SER 66 N 0.97 0.72 -0.13 0.57 0.02 -0.91 -0.33 113.55 114.46 3dgk h SER 66 Ca 0.30 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3dgk h SER 66 Cb -0.02 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3dgk h SER 66 CO -0.10 0.81 -0.07 0.40 -1.14 0.00 0.00 176.83 176.73 3dgk h ILE 67 N 0.69 1.32 -0.64 3.27 2.04 -0.98 -2.97 117.51 120.24 3dgk h ILE 67 Ca 0.13 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3dgk h ILE 67 Cb 0.48 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 3dgk h ILE 67 CO 0.02 0.32 0.32 -0.07 0.00 0.00 0.00 178.15 178.75 3dgk h LEU 68 N -0.08 0.80 -1.86 1.44 3.38 -0.77 -1.21 115.31 116.99 3dgk h LEU 68 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dgk h LEU 68 Cb 0.54 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3dgk h LEU 68 CO 0.02 0.66 -0.01 0.11 0.09 0.00 0.00 178.44 179.31 3dgk h LYS 69 N 0.89 0.00 0.00 1.13 1.57 -0.92 -2.94 116.57 116.30 3dgk h LYS 69 Ca 0.22 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 3dgk h LYS 69 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3dgk h LYS 69 CO -0.03 0.01 -0.85 1.49 -0.57 0.00 0.00 179.45 179.51 3dgk h GLU 70 N 0.00 0.00 -5.88 3.15 4.81 -1.08 -3.48 114.58 112.11 3dgk h GLU 70 Ca -0.00 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.60 3dgk h GLU 70 Cb 0.38 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3dgk h GLU 70 CO 0.00 0.30 -0.40 0.96 -0.73 0.00 0.00 179.01 179.14 3dgk s ILE 71 N -3.04 5.33 -0.28 2.32 -4.36 -1.11 -5.06 121.20 115.00 3dgk s ILE 71 Ca 0.01 0.13 0.01 0.00 -0.26 0.00 0.00 60.65 60.54 3dgk s ILE 71 Cb 0.08 -3.55 0.18 0.00 1.25 0.00 0.00 42.46 40.41 3dgk s ILE 71 CO 0.77 0.38 0.53 -1.58 0.24 0.00 0.00 174.94 175.27 3dgk s GLN 72 N -1.74 0.50 -0.16 0.37 2.00 -1.26 -4.83 119.66 114.54 3dgk s GLN 72 Ca 0.27 0.69 -0.28 0.00 -2.00 0.00 0.00 55.36 54.03 3dgk s GLN 72 Cb -0.13 0.16 0.08 0.00 0.80 0.00 0.00 33.01 33.91 3dgk s GLN 72 CO 0.16 -0.78 0.73 -1.58 -0.50 0.00 0.00 175.29 173.32 3dgk s HIS 73 N 2.75 -0.69 0.61 1.67 2.46 -1.26 -5.04 115.29 115.78 3dgk s HIS 73 Ca 0.15 1.44 0.32 0.00 0.47 0.00 0.00 55.06 57.44 3dgk s HIS 73 Cb -0.14 0.35 1.85 0.00 -0.13 0.00 0.00 32.58 34.51 3dgk s HIS 73 CO -0.22 -0.48 2.19 -1.35 -2.47 0.00 0.00 174.74 172.41 3dgk h PRO 74 N 3.88 0.00 -0.57 2.88 0.11 -2.00 -2.28 132.00 134.02 3dgk h PRO 74 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3dgk h PRO 74 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dgk h PRO 74 CO 0.23 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.11 3dgk n ASN 75 N -3.64 4.59 -4.11 -2.05 4.13 -1.26 -4.73 115.26 108.19 3dgk n ASN 75 Ca -0.01 -2.51 -0.16 0.00 1.68 0.00 0.00 54.58 53.58 3dgk n ASN 75 Cb 0.20 -0.55 -0.12 0.00 -1.54 0.00 0.00 39.78 37.77 3dgk n ASN 75 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3dgk s VAL 76 N -1.95 0.81 0.55 2.41 -7.23 -0.86 -0.40 120.40 113.73 3dgk s VAL 76 Ca 0.48 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 59.28 3dgk s VAL 76 Cb 0.32 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 3dgk s VAL 76 CO 0.21 -0.29 1.20 -0.51 -0.31 0.00 0.00 175.10 175.40 3dgk s ILE 77 N -1.30 2.79 0.26 -0.62 1.10 -0.73 -4.57 121.20 118.13 3dgk s ILE 77 Ca -0.06 0.52 0.08 0.00 -0.51 0.00 0.00 60.65 60.68 3dgk s ILE 77 Cb -0.10 -3.23 -0.04 0.00 0.15 0.00 0.00 42.46 39.24 3dgk s ILE 77 CO 0.01 -0.07 0.10 0.28 -2.11 0.00 0.00 174.94 173.15 3dgk s THR 78 N -1.59 3.95 -0.16 4.00 -1.32 -1.26 -4.89 115.64 114.36 3dgk s THR 78 Ca 0.73 -1.65 -0.05 0.00 -1.21 0.00 0.00 61.69 59.51 3dgk s THR 78 Cb -0.30 -3.13 -0.03 0.00 -1.51 0.00 0.00 72.50 67.53 3dgk s THR 78 CO 0.34 -0.36 0.01 -0.22 -2.21 0.00 0.00 174.62 172.18 3dgk s LEU 79 N -3.77 3.53 -0.24 9.08 2.96 -1.26 -1.46 118.68 127.52 3dgk s LEU 79 Ca 0.32 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 3dgk s LEU 79 Cb -0.07 -1.87 -0.16 0.00 0.50 0.00 0.00 46.19 44.59 3dgk s LEU 79 CO 0.23 0.18 -0.08 1.57 -1.32 0.00 0.00 176.35 176.93 3dgk n HIS 80 N 3.46 0.49 -3.81 5.38 -0.00 0.12 -4.97 115.22 115.89 3dgk n HIS 80 Ca -0.17 0.20 -0.05 0.00 -0.00 0.00 0.00 57.72 57.70 3dgk n HIS 80 Cb 0.52 -1.05 -0.02 0.00 -0.00 0.00 0.00 29.99 29.45 3dgk n HIS 80 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 3dgk s GLU 81 N -2.45 1.50 -0.04 1.57 -1.05 -1.08 -5.01 118.70 112.15 3dgk s GLU 81 Ca -0.34 -0.83 0.02 0.00 -0.15 0.00 0.00 54.97 53.67 3dgk s GLU 81 Cb 0.11 0.51 0.01 0.00 -0.44 0.00 0.00 34.13 34.32 3dgk s GLU 81 CO 0.55 -0.69 -0.07 0.08 0.95 0.00 0.00 175.26 176.08 3dgk s VAL 82 N -3.58 0.65 0.36 1.83 1.01 -1.26 -0.61 120.40 118.80 3dgk s VAL 82 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3dgk s VAL 82 Cb -0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 3dgk s VAL 82 CO 0.05 0.23 -0.07 -0.31 0.00 0.00 0.00 175.10 175.00 3dgk s TYR 83 N 0.54 2.42 0.07 5.22 1.51 -0.11 -2.31 117.35 124.70 3dgk s TYR 83 Ca -0.08 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.24 3dgk s TYR 83 Cb -0.11 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 3dgk s TYR 83 CO 0.01 0.55 0.47 -1.83 -1.11 0.00 0.00 175.55 173.63 3dgk s GLU 84 N -3.64 1.03 0.00 -0.62 -1.05 0.08 0.01 118.70 114.51 3dgk s GLU 84 Ca 0.33 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 3dgk s GLU 84 Cb 0.04 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3dgk s GLU 84 CO 0.17 -0.38 0.00 0.27 0.95 0.00 0.00 175.26 176.27 3dgk n ASN 85 N 0.25 0.00 0.09 0.83 0.23 -0.06 -4.36 115.26 112.23 3dgk n ASN 85 Ca -0.18 -0.82 0.08 0.00 -0.53 0.00 0.00 54.58 53.14 3dgk n ASN 85 Cb 0.61 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.85 3dgk n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3dgk h LYS 86 N 0.00 0.26 0.00 -3.83 1.79 -2.02 -3.22 116.57 109.55 3dgk h LYS 86 Ca 0.00 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 3dgk h LYS 86 Cb 0.00 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 3dgk h LYS 86 CO 0.00 0.17 -2.13 0.25 -1.08 0.00 0.00 179.45 176.66 3dgk n THR 87 N -4.49 0.81 -3.98 -0.16 -2.24 -1.26 -4.86 114.28 98.09 3dgk n THR 87 Ca 0.02 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 3dgk n THR 87 Cb 0.16 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 3dgk n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dgk s ASP 88 N -4.91 0.28 -0.11 3.42 1.01 -1.22 -0.79 116.67 114.35 3dgk s ASP 88 Ca -0.08 -0.67 -0.03 0.00 0.71 0.00 0.00 52.55 52.48 3dgk s ASP 88 Cb 0.08 0.20 -0.03 0.00 1.01 0.00 0.00 42.92 44.17 3dgk s ASP 88 CO 0.78 -0.50 0.02 -0.69 0.21 0.00 0.00 175.17 174.99 3dgk s VAL 89 N -2.81 4.48 -0.19 -1.27 1.01 -0.40 -0.89 120.40 120.33 3dgk s VAL 89 Ca -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3dgk s VAL 89 Cb -0.00 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.50 3dgk s VAL 89 CO -0.06 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 174.86 3dgk s ILE 90 N -0.67 1.82 -0.23 2.22 1.09 0.10 -0.34 121.20 125.19 3dgk s ILE 90 Ca 0.11 -1.03 -0.13 0.00 -1.10 0.00 0.00 60.65 58.50 3dgk s ILE 90 Cb -0.12 -1.80 -0.04 0.00 -1.06 0.00 0.00 42.46 39.44 3dgk s ILE 90 CO 0.02 0.28 0.27 -0.76 -0.10 0.00 0.00 174.94 174.66 3dgk s LEU 91 N 1.34 4.12 -0.44 2.97 1.43 -0.03 -0.94 118.68 127.13 3dgk s LEU 91 Ca 0.00 0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 3dgk s LEU 91 Cb -0.15 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.80 3dgk s LEU 91 CO -0.09 -0.02 0.54 -0.63 0.23 0.00 0.00 176.35 176.37 3dgk s ILE 92 N 1.31 4.96 0.28 -0.59 -1.09 0.22 -0.41 121.20 125.88 3dgk s ILE 92 Ca 0.13 -0.20 0.09 0.00 -2.23 0.00 0.00 60.65 58.44 3dgk s ILE 92 Cb -0.14 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 3dgk s ILE 92 CO 0.07 -0.54 0.06 -0.76 -1.23 0.00 0.00 174.94 172.54 3dgk s LEU 93 N 2.45 3.31 0.33 2.97 1.43 0.11 0.13 118.68 129.42 3dgk s LEU 93 Ca 0.16 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 3dgk s LEU 93 Cb -0.16 -1.82 -0.12 0.00 0.03 0.00 0.00 46.19 44.11 3dgk s LEU 93 CO 0.15 -0.08 1.43 1.21 0.23 0.00 0.00 176.35 179.30 3dgk n GLU 94 N -1.00 2.38 -2.80 1.70 2.13 -0.53 -0.42 120.64 122.10 3dgk n GLU 94 Ca -0.06 0.84 -0.42 0.00 0.66 0.00 0.00 57.16 58.18 3dgk n GLU 94 Cb 0.59 -2.52 -0.03 0.00 0.27 0.00 0.00 31.44 29.75 3dgk n GLU 94 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3dgk s LEU 95 N -1.01 4.25 -0.31 4.31 2.96 -1.26 -4.34 118.68 123.28 3dgk s LEU 95 Ca 0.59 1.39 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 3dgk s LEU 95 Cb -0.54 -3.39 0.08 0.00 0.50 0.00 0.00 46.19 42.84 3dgk s LEU 95 CO 0.58 -0.36 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.54 3dgk s VAL 96 N 1.76 2.31 -1.68 1.68 1.01 -1.26 -4.98 120.40 119.25 3dgk s VAL 96 Ca 0.44 -1.97 0.25 0.00 0.00 0.00 0.00 61.98 60.70 3dgk s VAL 96 Cb -0.18 -2.53 0.13 0.00 0.00 0.00 0.00 36.38 33.80 3dgk s VAL 96 CO 0.17 -0.32 1.38 0.00 0.00 0.00 0.00 175.10 176.34 3dgk n ALA 97 N 4.37 3.38 1.79 5.51 0.00 -1.25 -4.26 120.51 130.04 3dgk n ALA 97 Ca -0.05 -0.47 0.10 0.00 0.00 0.00 0.00 53.44 53.02 3dgk n ALA 97 Cb 0.42 -1.02 0.52 0.00 0.00 0.00 0.00 19.45 19.37 3dgk n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dgk n GLY 98 N 1.39 -0.65 0.00 0.00 0.00 0.11 -4.95 105.19 101.09 3dgk n GLY 98 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3dgk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dgk n GLY 99 N 0.89 -1.03 3.78 -0.02 0.00 -1.24 -4.45 105.19 103.12 3dgk n GLY 99 Ca 0.15 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 3dgk n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dgk s GLU 100 N -1.45 3.80 0.42 1.61 2.02 -1.26 -0.95 118.70 122.89 3dgk s GLU 100 Ca 0.00 1.56 0.09 0.00 0.02 0.00 0.00 54.97 56.64 3dgk s GLU 100 Cb 0.00 -2.27 0.91 0.00 0.10 0.00 0.00 34.13 32.87 3dgk s GLU 100 CO 0.00 -0.47 2.03 1.25 0.02 0.00 0.00 175.26 178.09 3dgk h LEU 101 N 1.86 0.31 -0.59 1.80 5.85 -0.52 -2.14 115.31 121.86 3dgk h LEU 101 Ca -0.49 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.30 3dgk h LEU 101 Cb 1.23 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 3dgk h LEU 101 CO 0.60 0.30 0.19 0.15 -0.34 0.00 0.00 178.44 179.33 3dgk h PHE 102 N 0.34 0.32 -0.03 1.25 3.04 -1.71 -1.40 116.94 118.76 3dgk h PHE 102 Ca 0.09 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.85 3dgk h PHE 102 Cb 0.10 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.55 3dgk h PHE 102 CO 0.00 0.05 -0.88 -0.44 -2.02 0.00 0.00 178.31 175.03 3dgk h ASP 103 N 0.35 0.53 -0.57 0.41 3.32 -1.74 -2.47 116.42 116.25 3dgk h ASP 103 Ca 0.30 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3dgk h ASP 103 Cb 0.40 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3dgk h ASP 103 CO -0.33 1.18 0.37 0.15 -1.72 0.00 0.00 179.24 178.89 3dgk h PHE 104 N 0.25 0.73 -0.17 4.55 3.57 -1.25 0.29 116.94 124.91 3dgk h PHE 104 Ca -0.06 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 3dgk h PHE 104 Cb 1.50 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3dgk h PHE 104 CO 0.06 0.47 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.20 3dgk h LEU 105 N 0.77 0.36 -0.14 0.59 3.38 -1.16 -2.20 115.31 116.91 3dgk h LEU 105 Ca 0.21 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3dgk h LEU 105 Cb -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3dgk h LEU 105 CO -0.04 0.68 -0.37 0.00 0.09 0.00 0.00 178.44 178.80 3dgk h ALA 106 N 1.34 0.23 -0.00 1.53 0.00 -0.92 -3.28 119.26 118.15 3dgk h ALA 106 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3dgk h ALA 106 Cb 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dgk h ALA 106 CO 0.06 0.31 -0.58 1.05 0.00 0.00 0.00 179.25 180.08 3dgk h GLU 107 N 0.10 0.01 -6.21 0.00 9.09 -0.88 -3.46 114.58 113.23 3dgk h GLU 107 Ca -0.01 -0.01 -0.46 0.00 0.05 0.00 0.00 59.36 58.93 3dgk h GLU 107 Cb 0.98 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.07 3dgk h GLU 107 CO 0.08 0.59 -0.43 0.15 0.05 0.00 0.00 179.01 179.45 3dgk s LYS 108 N -3.71 3.28 1.00 1.06 3.01 -0.84 -5.10 119.74 118.45 3dgk s LYS 108 Ca -0.02 -0.87 -0.11 0.00 -1.01 0.00 0.00 55.97 53.97 3dgk s LYS 108 Cb 0.13 -2.81 0.20 0.00 -1.01 0.00 0.00 37.83 34.33 3dgk s LYS 108 CO 0.76 0.35 1.10 -1.83 0.51 0.00 0.00 175.35 176.25 3dgk s GLU 109 N -3.99 0.31 0.55 1.68 4.04 -1.26 -4.90 118.70 115.13 3dgk s GLU 109 Ca 0.36 1.30 -0.19 0.00 0.04 0.00 0.00 54.97 56.47 3dgk s GLU 109 Cb -0.09 -1.66 -0.08 0.00 0.02 0.00 0.00 34.13 32.32 3dgk s GLU 109 CO 0.29 -3.03 0.74 -1.13 -1.84 0.00 0.00 175.26 170.29 3dgk n SER 110 N -4.49 -0.10 -4.82 0.83 3.41 -1.26 -4.97 113.62 102.21 3dgk n SER 110 Ca 0.09 0.81 -0.35 0.00 -0.26 0.00 0.00 58.87 59.15 3dgk n SER 110 Cb 0.53 -1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 3dgk n SER 110 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dgk s LEU 111 N -0.31 4.30 0.84 1.04 1.43 -1.26 -5.09 118.68 119.63 3dgk s LEU 111 Ca 0.70 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 3dgk s LEU 111 Cb -0.46 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.25 3dgk s LEU 111 CO 0.52 0.01 1.11 0.42 0.23 0.00 0.00 176.35 178.64 3dgk s THR 112 N -1.58 2.74 0.27 5.49 -4.23 -1.26 -4.84 115.64 112.23 3dgk s THR 112 Ca 0.44 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 3dgk s THR 112 Cb -0.15 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 70.88 3dgk s THR 112 CO 0.20 -0.32 1.80 -0.08 -0.54 0.00 0.00 174.62 175.69 3dgk h GLU 113 N -1.26 0.84 -0.45 3.99 4.81 -1.95 -1.26 114.58 119.29 3dgk h GLU 113 Ca -0.48 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.54 3dgk h GLU 113 Cb 1.29 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3dgk h GLU 113 CO 0.59 0.78 0.21 1.49 -0.73 0.00 0.00 179.01 181.35 3dgk h GLU 114 N 0.81 0.66 -0.63 1.92 4.81 -1.98 0.15 114.58 120.32 3dgk h GLU 114 Ca 0.17 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3dgk h GLU 114 Cb 0.34 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3dgk h GLU 114 CO 0.00 0.57 0.25 0.93 -0.73 0.00 0.00 179.01 180.03 3dgk h GLU 115 N 0.59 0.95 -0.15 1.92 5.08 -1.85 -0.84 114.58 120.27 3dgk h GLU 115 Ca 0.15 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dgk h GLU 115 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dgk h GLU 115 CO -0.02 0.80 0.10 0.00 -1.00 0.00 0.00 179.01 178.89 3dgk h ALA 116 N 1.10 0.19 0.00 3.43 0.00 -1.10 -2.63 119.26 120.25 3dgk h ALA 116 Ca 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3dgk h ALA 116 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dgk h ALA 116 CO -0.02 -0.31 -0.24 1.15 0.00 0.00 0.00 179.25 179.83 3dgk h THR 117 N 0.20 0.79 -0.29 0.00 2.02 -0.77 0.32 112.91 115.17 3dgk h THR 117 Ca 0.06 -0.99 -0.16 0.00 0.77 0.00 0.00 66.41 66.09 3dgk h THR 117 Cb -0.01 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3dgk h THR 117 CO -0.01 0.24 -0.44 -0.33 0.37 0.00 0.00 175.52 175.34 3dgk h GLU 118 N 0.00 0.75 -0.06 6.66 4.39 -0.96 -1.16 114.58 124.21 3dgk h GLU 118 Ca -0.00 -0.42 -0.14 0.00 0.34 0.00 0.00 59.36 59.14 3dgk h GLU 118 Cb 0.58 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3dgk h GLU 118 CO 0.03 1.04 -0.53 0.74 -1.16 0.00 0.00 179.01 179.13 3dgk h PHE 119 N 0.60 0.64 -0.52 4.33 0.04 -1.10 -3.27 116.94 117.67 3dgk h PHE 119 Ca 0.04 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 3dgk h PHE 119 Cb 1.00 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 3dgk h PHE 119 CO 0.05 1.10 0.28 -0.07 -0.60 0.00 0.00 178.31 179.07 3dgk h LEU 120 N 0.01 0.65 -1.08 1.54 -0.00 -0.89 -1.96 115.31 113.58 3dgk h LEU 120 Ca -0.05 -0.10 0.07 0.00 -0.00 0.00 0.00 57.88 57.81 3dgk h LEU 120 Cb 1.20 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 41.63 3dgk h LEU 120 CO 0.11 0.56 0.62 0.11 -0.00 0.00 0.00 178.44 179.84 3dgk h LYS 121 N 0.69 1.05 -0.48 1.13 1.57 -1.33 0.62 116.57 119.82 3dgk h LYS 121 Ca 0.18 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3dgk h LYS 121 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3dgk h LYS 121 CO -0.03 0.69 -0.10 1.96 -0.57 0.00 0.00 179.45 181.41 3dgk h GLN 122 N 1.08 0.91 -0.47 3.15 4.20 -1.46 -0.19 115.11 122.33 3dgk h GLN 122 Ca 0.42 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3dgk h GLN 122 Cb 0.23 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3dgk h GLN 122 CO -0.17 0.99 0.25 0.82 -0.67 0.00 0.00 178.83 180.05 3dgk h ILE 123 N 0.76 1.17 -0.59 2.54 2.04 -0.65 -1.64 117.51 121.12 3dgk h ILE 123 Ca 0.12 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3dgk h ILE 123 Cb 0.65 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3dgk h ILE 123 CO 0.04 0.18 0.14 -0.07 0.00 0.00 0.00 178.15 178.44 3dgk h LEU 124 N 0.61 0.87 -0.69 1.44 3.38 -0.73 0.25 115.31 120.44 3dgk h LEU 124 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3dgk h LEU 124 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3dgk h LEU 124 CO -0.03 0.85 0.01 0.78 0.09 0.00 0.00 178.44 180.15 3dgk h ASN 125 N 0.89 1.00 -0.31 -0.43 2.35 -0.77 0.26 115.58 118.57 3dgk h ASN 125 Ca 0.19 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3dgk h ASN 125 Cb 0.33 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3dgk h ASN 125 CO 0.00 1.04 -0.07 1.23 -1.65 0.00 0.00 177.43 177.98 3dgk h GLY 126 N 1.00 0.64 1.53 2.83 0.00 -0.82 -2.14 103.07 106.11 3dgk h GLY 126 Ca 0.17 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3dgk h GLY 126 CO 0.03 0.48 -0.34 -2.08 0.00 0.00 0.00 176.54 174.63 3dgk h VAL 127 N 0.37 1.29 -0.39 4.60 2.07 -0.78 -1.82 116.25 121.58 3dgk h VAL 127 Ca 0.08 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.19 3dgk h VAL 127 Cb 0.56 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3dgk h VAL 127 CO 0.03 0.46 0.15 0.22 0.02 0.00 0.00 177.57 178.45 3dgk h TYR 128 N 0.45 0.27 -0.12 1.57 3.20 -0.33 0.12 116.97 122.14 3dgk h TYR 128 Ca 0.05 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.97 3dgk h TYR 128 Cb 0.80 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3dgk h TYR 128 CO 0.03 0.12 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.65 3dgk h TYR 129 N 0.32 -0.23 -0.31 -3.82 3.20 -1.12 -0.35 116.97 114.66 3dgk h TYR 129 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3dgk h TYR 129 Cb 0.14 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3dgk h TYR 129 CO -0.14 -0.14 0.12 -0.07 -1.64 0.00 0.00 178.16 176.29 3dgk h LEU 130 N -0.11 0.43 -1.00 2.82 3.38 -0.96 -2.61 115.31 117.27 3dgk h LEU 130 Ca 0.08 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3dgk h LEU 130 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dgk h LEU 130 CO -0.18 0.49 -0.30 0.45 0.09 0.00 0.00 178.44 178.98 3dgk h HIS 131 N 0.35 0.39 -0.29 1.13 3.86 -0.70 0.15 115.15 120.04 3dgk h HIS 131 Ca 0.10 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3dgk h HIS 131 Cb 0.19 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3dgk h HIS 131 CO -0.00 0.62 0.20 0.77 0.86 0.00 0.00 177.93 180.37 3dgk h SER 132 N 0.30 0.22 -0.38 2.45 0.02 -0.73 -0.04 113.55 115.39 3dgk h SER 132 Ca 0.04 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3dgk h SER 132 Cb 0.69 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3dgk h SER 132 CO 0.05 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 176.07 3dgk n LEU 133 N -4.49 2.53 -3.02 5.07 4.77 -0.51 -4.93 117.00 116.41 3dgk n LEU 133 Ca 0.02 -1.27 -0.21 0.00 -0.03 0.00 0.00 56.01 54.52 3dgk n LEU 133 Cb 0.18 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3dgk n LEU 133 CO 0.35 0.52 -0.05 0.00 -1.33 0.00 0.00 177.39 176.87 3dgk n GLN 134 N 0.60 -3.85 -3.57 3.23 1.13 -0.03 -4.87 117.38 110.02 3dgk n GLN 134 Ca 0.14 0.73 -0.39 0.00 -1.94 0.00 0.00 57.00 55.54 3dgk n GLN 134 Cb 0.45 -5.50 -0.11 0.00 0.11 0.00 0.00 30.24 25.19 3dgk n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dgk s ILE 135 N -3.02 5.22 -0.11 5.09 1.01 -0.08 -0.30 121.20 129.02 3dgk s ILE 135 Ca 0.28 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 3dgk s ILE 135 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3dgk s ILE 135 CO 0.34 0.11 0.47 0.00 0.00 0.00 0.00 174.94 175.86 3dgk s ALA 136 N 1.73 3.50 -0.00 9.38 0.00 -0.38 -3.70 121.76 132.28 3dgk s ALA 136 Ca 0.06 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 3dgk s ALA 136 Cb -0.17 -2.62 -0.29 0.00 0.00 0.00 0.00 23.12 20.04 3dgk s ALA 136 CO 0.10 0.04 1.01 1.25 0.00 0.00 0.00 175.76 178.16 3dgk h HIS 137 N 6.54 0.71 0.00 0.00 2.76 -1.90 -0.80 115.15 122.46 3dgk h HIS 137 Ca -0.42 -0.46 0.00 0.00 -2.20 0.00 0.00 60.37 57.29 3dgk h HIS 137 Cb 1.18 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.09 3dgk h HIS 137 CO 0.63 1.33 0.00 1.19 -1.30 0.00 0.00 177.93 179.77 3dgk n PHE 138 N -4.04 0.00 -2.74 5.26 3.72 -1.26 -2.86 117.46 115.54 3dgk n PHE 138 Ca -0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3dgk n PHE 138 Cb 0.84 -0.99 0.07 0.00 -0.94 0.00 0.00 39.48 38.46 3dgk n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3dgk n ASP 139 N -0.21 0.60 -4.70 4.37 2.03 -1.26 -4.52 116.55 112.86 3dgk n ASP 139 Ca 0.00 -2.07 -0.42 0.00 0.52 0.00 0.00 54.79 52.82 3dgk n ASP 139 Cb 0.10 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 3dgk n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dgk s LEU 140 N -3.46 4.34 -0.12 -2.67 1.43 -1.26 -4.80 118.68 112.14 3dgk s LEU 140 Ca 0.22 2.06 -0.32 0.00 -1.03 0.00 0.00 54.13 55.06 3dgk s LEU 140 Cb 0.35 -3.57 0.12 0.00 0.03 0.00 0.00 46.19 43.12 3dgk s LEU 140 CO -0.07 -0.60 1.07 -1.59 0.23 0.00 0.00 176.35 175.39 3dgk s LYS 141 N 1.69 0.52 0.42 1.70 -2.85 -1.26 -4.87 119.74 115.09 3dgk s LYS 141 Ca 0.61 -0.17 0.15 0.00 -1.00 0.00 0.00 55.97 55.56 3dgk s LYS 141 Cb -0.30 0.24 1.03 0.00 -2.06 0.00 0.00 37.83 36.74 3dgk s LYS 141 CO 0.27 -0.22 1.90 -1.35 0.10 0.00 0.00 175.35 176.05 3dgk h PRO 142 N 2.04 0.43 0.00 1.78 0.11 -1.94 -0.30 132.00 134.12 3dgk h PRO 142 Ca -0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 3dgk h PRO 142 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dgk h PRO 142 CO 0.26 0.29 -0.07 0.93 -0.21 0.00 0.00 178.00 179.20 3dgk h GLU 143 N 0.44 0.00 -0.65 1.05 5.08 -1.95 -2.64 114.58 115.92 3dgk h GLU 143 Ca 0.40 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 3dgk h GLU 143 Cb 0.91 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 3dgk h GLU 143 CO -0.14 0.07 0.12 0.09 -1.00 0.00 0.00 179.01 178.15 3dgk n ASN 144 N -3.66 5.32 -4.03 1.42 3.02 -0.13 -4.81 115.26 112.38 3dgk n ASN 144 Ca -0.02 -3.07 -0.28 0.00 -0.03 0.00 0.00 54.58 51.17 3dgk n ASN 144 Cb 0.17 -0.71 -0.17 0.00 -0.61 0.00 0.00 39.78 38.46 3dgk n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dgk s ILE 145 N -2.88 1.43 0.05 2.41 -1.09 -1.04 -1.12 121.20 118.96 3dgk s ILE 145 Ca 0.55 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 58.46 3dgk s ILE 145 Cb 0.43 -1.32 -0.03 0.00 -1.58 0.00 0.00 42.46 39.95 3dgk s ILE 145 CO 0.15 0.43 -0.20 -0.04 -1.23 0.00 0.00 174.94 174.05 3dgk s MET 146 N 1.12 1.98 -0.09 2.79 -1.94 -0.44 -0.20 119.30 122.53 3dgk s MET 146 Ca -0.04 -1.03 -0.07 0.00 -1.71 0.00 0.00 55.69 52.84 3dgk s MET 146 Cb -0.14 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 3dgk s MET 146 CO -0.03 0.53 0.18 -0.51 -0.01 0.00 0.00 175.02 175.18 3dgk s LEU 147 N -1.46 4.40 0.09 -0.03 1.02 -0.12 -0.77 118.68 121.80 3dgk s LEU 147 Ca 0.14 0.52 -0.16 0.00 0.02 0.00 0.00 54.13 54.64 3dgk s LEU 147 Cb -0.10 -2.23 -0.08 0.00 0.02 0.00 0.00 46.19 43.79 3dgk s LEU 147 CO 0.05 0.37 1.45 -0.07 0.02 0.00 0.00 176.35 178.17 3dgk h LEU 148 N 4.75 0.62 -6.85 1.79 3.38 -1.31 0.30 115.31 118.00 3dgk h LEU 148 Ca -0.54 -0.42 -0.22 0.00 0.09 0.00 0.00 57.88 56.80 3dgk h LEU 148 Cb 1.22 -0.17 -0.32 0.00 0.09 0.00 0.00 40.66 41.48 3dgk h LEU 148 CO 0.60 0.91 -0.53 -0.62 0.09 0.00 0.00 178.44 178.89 3dgk s ASP 149 N -6.31 0.57 0.00 -0.43 -1.08 -1.26 -3.26 116.67 104.89 3dgk s ASP 149 Ca -0.13 0.28 0.29 0.00 -0.52 0.00 0.00 52.55 52.47 3dgk s ASP 149 Cb 0.08 0.79 1.43 0.00 -1.46 0.00 0.00 42.92 43.77 3dgk s ASP 149 CO 0.80 -0.28 2.00 -2.11 0.52 0.00 0.00 175.17 176.09 3dgk n ARG 150 N 5.35 0.35 -0.05 4.34 1.85 -1.26 -3.79 116.66 123.44 3dgk n ARG 150 Ca -0.05 0.01 0.12 0.00 -1.00 0.00 0.00 57.85 56.93 3dgk n ARG 150 Cb 0.50 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.63 3dgk n ARG 150 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dgk n ASN 151 N -1.32 2.76 -4.89 2.89 3.02 -1.26 -4.92 115.26 111.53 3dgk n ASN 151 Ca 0.13 -1.89 -0.29 0.00 -0.03 0.00 0.00 54.58 52.49 3dgk n ASN 151 Cb 0.25 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3dgk n ASN 151 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dgk s VAL 152 N -1.86 4.91 0.45 2.41 -7.23 -1.25 -4.99 120.40 112.84 3dgk s VAL 152 Ca 0.33 0.32 0.12 0.00 -1.81 0.00 0.00 61.98 60.94 3dgk s VAL 152 Cb 0.21 -3.74 0.22 0.00 0.56 0.00 0.00 36.38 33.62 3dgk s VAL 152 CO 0.31 -0.43 2.03 -0.65 -0.31 0.00 0.00 175.10 176.04 3dgk h PRO 153 N 1.42 0.15 -2.48 4.82 0.11 -1.93 -3.33 132.00 130.77 3dgk h PRO 153 Ca -0.47 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.01 3dgk h PRO 153 Cb 1.19 -0.03 -0.41 0.00 0.11 0.00 0.00 31.00 31.86 3dgk h PRO 153 CO 0.65 0.21 -0.68 1.63 -0.21 0.00 0.00 178.00 179.59 3dgk n LYS 154 N -4.40 1.86 -1.75 1.05 4.01 -1.26 -5.07 118.16 112.59 3dgk n LYS 154 Ca -0.01 -4.30 -0.41 0.00 -0.51 0.00 0.00 58.31 53.08 3dgk n LYS 154 Cb 0.17 -2.08 0.00 0.00 -0.51 0.00 0.00 35.03 32.61 3dgk n LYS 154 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3dgk n PRO 155 N 1.47 2.40 -3.18 1.97 -0.02 -1.25 -4.98 135.00 131.40 3dgk n PRO 155 Ca 0.26 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 62.23 3dgk n PRO 155 Cb 0.41 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 3dgk n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dgk s ARG 156 N -2.14 4.14 0.19 -0.52 1.81 -1.26 -4.87 118.95 116.31 3dgk s ARG 156 Ca 0.56 0.73 0.06 0.00 -1.72 0.00 0.00 55.73 55.36 3dgk s ARG 156 Cb -0.49 -2.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.13 3dgk s ARG 156 CO 0.62 0.38 -0.09 0.96 -0.68 0.00 0.00 175.30 176.49 3dgk s ILE 157 N -1.58 1.38 -0.03 1.52 -5.25 -1.26 -0.82 121.20 115.16 3dgk s ILE 157 Ca 0.43 -2.11 0.02 0.00 -0.99 0.00 0.00 60.65 58.00 3dgk s ILE 157 Cb -0.15 -2.06 0.01 0.00 2.95 0.00 0.00 42.46 43.21 3dgk s ILE 157 CO 0.20 -0.58 -0.06 -0.54 -1.79 0.00 0.00 174.94 172.17 3dgk s LYS 158 N -3.73 0.74 0.19 0.37 1.02 0.05 -4.47 119.74 113.90 3dgk s LYS 158 Ca 0.22 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.72 3dgk s LYS 158 Cb 0.02 -0.73 -0.08 0.00 -0.52 0.00 0.00 37.83 36.52 3dgk s LYS 158 CO 0.05 0.04 1.16 0.42 -0.92 0.00 0.00 175.35 176.10 3dgk s ILE 159 N 0.38 3.65 0.46 2.17 1.01 0.46 -1.33 121.20 128.00 3dgk s ILE 159 Ca -0.05 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.04 3dgk s ILE 159 Cb -0.09 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3dgk s ILE 159 CO 0.00 0.24 0.08 0.27 0.00 0.00 0.00 174.94 175.53 3dgk s ILE 160 N -0.20 0.77 -0.44 2.92 -4.36 -0.27 -1.77 121.20 117.85 3dgk s ILE 160 Ca 0.51 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 3dgk s ILE 160 Cb -0.32 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.21 3dgk s ILE 160 CO 0.37 0.00 0.61 -0.67 0.24 0.00 0.00 174.94 175.48 3dgk n ASP 161 N -1.36 -7.85 -1.32 4.36 -0.08 -1.26 -4.85 116.55 104.20 3dgk n ASP 161 Ca -0.12 0.49 -0.00 0.00 -1.51 0.00 0.00 54.79 53.64 3dgk n ASP 161 Cb 0.66 -5.23 0.18 0.00 2.34 0.00 0.00 41.12 39.06 3dgk n ASP 161 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3dgk n PHE 162 N -0.35 1.19 0.26 -0.67 3.01 -1.26 -4.49 117.46 115.16 3dgk n PHE 162 Ca 0.11 -0.58 0.12 0.00 1.01 0.00 0.00 57.45 58.11 3dgk n PHE 162 Cb 0.47 -0.39 0.73 0.00 -0.01 0.00 0.00 39.48 40.28 3dgk n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3dgk h GLY 163 N 3.99 0.00 -1.40 1.37 0.00 -1.91 -2.32 103.07 102.80 3dgk h GLY 163 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3dgk h GLY 163 CO 0.33 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.91 3dgk n LEU 164 N -3.72 2.57 -4.77 3.11 4.77 -1.26 -4.88 117.00 112.83 3dgk n LEU 164 Ca -0.02 -1.28 -0.39 0.00 -0.03 0.00 0.00 56.01 54.30 3dgk n LEU 164 Cb 0.22 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3dgk n LEU 164 CO 0.30 0.53 0.89 0.00 -1.33 0.00 0.00 177.39 177.77 3dgk s ALA 165 N -1.21 3.20 0.02 -1.18 0.00 -0.87 -4.67 121.76 117.05 3dgk s ALA 165 Ca 0.22 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.27 3dgk s ALA 165 Cb 0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3dgk s ALA 165 CO 0.20 -0.63 -0.07 -1.01 0.00 0.00 0.00 175.76 174.25 3dgk s HIS 166 N -1.34 0.59 0.11 0.00 3.76 -0.31 -4.78 115.29 113.32 3dgk s HIS 166 Ca 0.56 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.88 3dgk s HIS 166 Cb -0.34 -0.37 -0.06 0.00 1.11 0.00 0.00 32.58 32.92 3dgk s HIS 166 CO 0.43 -0.04 1.15 0.15 -0.85 0.00 0.00 174.74 175.58 3dgk s LYS 167 N -0.86 4.50 -0.78 1.40 -0.14 -1.26 -1.25 119.74 121.36 3dgk s LYS 167 Ca -0.04 1.74 0.01 0.00 -1.36 0.00 0.00 55.97 56.33 3dgk s LYS 167 Cb -0.06 -3.32 0.19 0.00 -1.68 0.00 0.00 37.83 32.96 3dgk s LYS 167 CO 0.00 -0.12 0.61 0.42 -0.76 0.00 0.00 175.35 175.50 3dgk s ILE 168 N 0.53 3.59 -0.82 2.17 -1.09 0.59 -4.89 121.20 121.29 3dgk s ILE 168 Ca 0.55 -3.97 0.25 0.00 -2.23 0.00 0.00 60.65 55.25 3dgk s ILE 168 Cb -0.29 -3.29 0.10 0.00 -1.58 0.00 0.00 42.46 37.39 3dgk s ILE 168 CO 0.32 -1.02 1.50 -0.90 -1.23 0.00 0.00 174.94 173.61 3dgk n ASP 169 N 2.28 0.54 -0.91 3.58 5.68 -1.26 -3.92 116.55 122.54 3dgk n ASP 169 Ca 0.19 0.12 0.09 0.00 -0.50 0.00 0.00 54.79 54.69 3dgk n ASP 169 Cb 0.36 -0.04 0.26 0.00 -1.14 0.00 0.00 41.12 40.56 3dgk n ASP 169 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3dgk n PHE 170 N -1.84 0.96 0.00 2.11 3.01 -1.26 -4.97 117.46 115.47 3dgk n PHE 170 Ca 0.05 -0.86 0.00 0.00 1.01 0.00 0.00 57.45 57.65 3dgk n PHE 170 Cb 0.39 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 3dgk n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dgk n GLY 171 N -0.45 2.71 3.38 1.37 0.00 -1.25 -4.91 105.19 106.04 3dgk n GLY 171 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 3dgk n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dgk s ASN 172 N -0.02 -0.43 0.04 1.61 2.20 -1.26 -4.44 114.94 112.64 3dgk s ASN 172 Ca 0.00 -0.08 0.06 0.00 -0.94 0.00 0.00 52.86 51.90 3dgk s ASN 172 Cb 0.00 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 39.77 3dgk s ASN 172 CO 0.00 -0.89 -0.18 -0.70 -2.94 0.00 0.00 177.10 172.39 3dgk s GLU 173 N -3.57 1.20 -0.40 3.55 2.56 0.11 -4.87 118.70 117.28 3dgk s GLU 173 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 54.97 54.13 3dgk s GLU 173 Cb 0.00 -1.27 0.13 0.00 2.00 0.00 0.00 34.13 34.98 3dgk s GLU 173 CO -0.11 0.32 0.19 0.12 -0.56 0.00 0.00 175.26 175.23 3dgk s PHE 174 N -0.81 1.93 0.16 5.30 5.36 -1.26 -0.79 117.98 127.86 3dgk s PHE 174 Ca 0.05 -2.25 0.04 0.00 -0.96 0.00 0.00 56.93 53.81 3dgk s PHE 174 Cb -0.08 -1.85 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 3dgk s PHE 174 CO 0.02 -0.81 0.13 1.63 -1.46 0.00 0.00 175.22 174.72 3dgk n LYS 175 N 3.91 0.21 -2.77 10.12 4.76 -1.26 -5.07 118.16 128.06 3dgk n LYS 175 Ca 0.06 -1.59 -0.43 0.00 -2.87 0.00 0.00 58.31 53.49 3dgk n LYS 175 Cb 0.37 1.29 -0.03 0.00 -1.84 0.00 0.00 35.03 34.81 3dgk n LYS 175 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dgk s ASN 176 N -2.11 6.44 -0.10 4.39 0.01 -1.26 -4.94 114.94 117.38 3dgk s ASN 176 Ca 0.19 -1.48 -0.03 0.00 -0.71 0.00 0.00 52.86 50.83 3dgk s ASN 176 Cb 0.01 -2.47 0.04 0.00 0.41 0.00 0.00 41.25 39.24 3dgk s ASN 176 CO 0.13 -1.35 0.05 -0.63 -1.51 0.00 0.00 177.10 173.78 3dgk s ILE 177 N 3.95 0.12 -0.25 0.60 1.01 -1.26 -5.12 121.20 120.25 3dgk s ILE 177 Ca 0.34 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 3dgk s ILE 177 Cb -0.07 -0.47 0.10 0.00 0.01 0.00 0.00 42.46 42.04 3dgk s ILE 177 CO -0.03 0.06 0.55 0.12 0.00 0.00 0.00 174.94 175.64 3dgk s PHE 178 N 2.06 -1.05 0.00 3.97 2.19 -1.26 -4.96 117.98 118.93 3dgk s PHE 178 Ca 0.04 1.93 0.00 0.00 0.33 0.00 0.00 56.93 59.23 3dgk s PHE 178 Cb -0.14 0.56 0.00 0.00 -1.31 0.00 0.00 43.02 42.14 3dgk s PHE 178 CO -0.06 -0.56 0.00 0.41 1.83 0.00 0.00 175.22 176.85 3dgk n GLY 179 N 5.18 1.77 3.67 13.12 0.00 -1.26 -4.93 105.19 122.75 3dgk n GLY 179 Ca -0.13 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3dgk n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dgk s THR 180 N 3.14 4.87 0.34 2.61 2.01 -1.26 -4.57 115.64 122.78 3dgk s THR 180 Ca 0.00 1.66 0.13 0.00 0.31 0.00 0.00 61.69 63.79 3dgk s THR 180 Cb 0.00 -4.15 0.33 0.00 0.01 0.00 0.00 72.50 68.69 3dgk s THR 180 CO 0.00 0.02 1.65 -0.65 -0.69 0.00 0.00 174.62 174.96 3dgk h PRO 181 N 7.31 0.27 0.00 4.92 0.11 -1.95 -0.10 132.00 142.56 3dgk h PRO 181 Ca -0.29 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3dgk h PRO 181 Cb 1.13 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dgk h PRO 181 CO 0.84 0.18 -0.03 0.93 -0.21 0.00 0.00 178.00 179.71 3dgk h GLU 182 N 0.28 0.00 -0.00 1.05 5.08 -1.93 -3.19 114.58 115.87 3dgk h GLU 182 Ca 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 3dgk h GLU 182 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3dgk h GLU 182 CO -0.63 0.03 -0.16 1.19 -1.00 0.00 0.00 179.01 178.44 3dgk n PHE 183 N -3.36 0.00 -2.76 4.33 3.01 -0.07 -4.78 117.46 113.83 3dgk n PHE 183 Ca -0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.08 3dgk n PHE 183 Cb 0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 3dgk n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3dgk s VAL 184 N -1.17 4.19 0.65 -4.37 -7.23 -1.07 -4.12 120.40 107.29 3dgk s VAL 184 Ca 0.03 1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 61.71 3dgk s VAL 184 Cb 0.04 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 3dgk s VAL 184 CO 0.16 -0.04 1.05 0.00 -0.31 0.00 0.00 175.10 175.96 3dgk s ALA 185 N -1.82 2.83 0.43 1.32 0.00 -1.26 -4.89 121.76 118.37 3dgk s ALA 185 Ca 0.55 0.08 0.16 0.00 0.00 0.00 0.00 51.96 52.75 3dgk s ALA 185 Cb -0.16 -3.15 1.06 0.00 0.00 0.00 0.00 23.12 20.87 3dgk s ALA 185 CO 0.21 -0.96 1.92 -1.35 0.00 0.00 0.00 175.76 175.58 3dgk h PRO 186 N -0.36 0.40 0.00 0.00 0.11 -1.89 0.07 132.00 130.32 3dgk h PRO 186 Ca -0.44 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 3dgk h PRO 186 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3dgk h PRO 186 CO 0.59 0.26 -0.41 1.05 -0.21 0.00 0.00 178.00 179.28 3dgk h GLU 187 N 0.41 0.00 -0.08 1.05 9.09 -1.93 0.27 114.58 123.39 3dgk h GLU 187 Ca 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.75 3dgk h GLU 187 Cb 0.85 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3dgk h GLU 187 CO -0.12 0.41 -0.06 0.82 0.05 0.00 0.00 179.01 180.12 3dgk h ILE 188 N 0.00 1.34 -1.00 -1.06 2.04 -1.29 -0.16 117.51 117.39 3dgk h ILE 188 Ca -0.00 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 64.78 3dgk h ILE 188 Cb 0.75 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.68 3dgk h ILE 188 CO 0.05 0.32 0.64 0.58 0.00 0.00 0.00 178.15 179.74 3dgk h VAL 189 N -0.21 1.10 -0.22 1.67 2.07 -0.99 -2.45 116.25 117.21 3dgk h VAL 189 Ca 0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dgk h VAL 189 Cb 0.53 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3dgk h VAL 189 CO 0.02 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.41 3dgk n ASN 190 N -4.50 1.80 -3.63 0.57 3.02 0.03 -4.95 115.26 107.60 3dgk n ASN 190 Ca 0.15 -1.79 -0.24 0.00 -0.03 0.00 0.00 54.58 52.67 3dgk n ASN 190 Cb 0.17 -0.14 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 3dgk n ASN 190 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dgk n TYR 191 N 0.42 -2.71 -2.70 3.10 4.01 -0.87 -5.00 117.16 113.41 3dgk n TYR 191 Ca 0.15 0.99 -0.24 0.00 -0.16 0.00 0.00 57.90 58.64 3dgk n TYR 191 Cb 0.33 -4.88 0.02 0.00 -0.31 0.00 0.00 39.34 34.50 3dgk n TYR 191 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3dgk s GLU 192 N -6.25 2.94 0.49 -0.72 0.41 -0.13 -5.05 118.70 110.40 3dgk s GLU 192 Ca 0.52 -0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 54.53 3dgk s GLU 192 Cb -0.24 -2.43 -0.07 0.00 -1.78 0.00 0.00 34.13 29.62 3dgk s GLU 192 CO 0.75 -0.50 1.35 -2.14 -0.49 0.00 0.00 175.26 174.22 3dgk s PRO 193 N -4.76 3.49 0.10 0.39 0.02 -1.26 -4.76 135.00 128.21 3dgk s PRO 193 Ca 0.52 2.22 0.09 0.00 0.02 0.00 0.00 61.00 63.85 3dgk s PRO 193 Cb -0.10 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 3dgk s PRO 193 CO 0.41 -0.90 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.45 3dgk s LEU 194 N -3.07 2.53 0.00 -5.54 1.43 0.03 -4.87 118.68 109.18 3dgk s LEU 194 Ca 0.65 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3dgk s LEU 194 Cb -0.40 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.39 3dgk s LEU 194 CO 0.49 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.88 3dgk n GLY 195 N 1.09 4.77 0.30 -3.19 0.00 -1.26 0.06 105.19 106.96 3dgk n GLY 195 Ca -0.16 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.63 3dgk n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dgk h LEU 196 N 0.00 0.00 -1.72 0.99 3.38 -1.96 -2.73 115.31 113.26 3dgk h LEU 196 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3dgk h LEU 196 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dgk h LEU 196 CO 0.00 0.03 0.30 -0.33 0.09 0.00 0.00 178.44 178.53 3dgk h GLU 197 N 0.00 0.33 -0.68 1.13 3.07 -1.94 -2.34 114.58 114.15 3dgk h GLU 197 Ca -0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3dgk h GLU 197 Cb 0.11 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3dgk h GLU 197 CO 0.00 0.22 0.41 0.00 -1.40 0.00 0.00 179.01 178.24 3dgk h ALA 198 N 1.76 1.43 -0.50 3.43 0.00 -1.90 -0.16 119.26 123.32 3dgk h ALA 198 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dgk h ALA 198 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dgk h ALA 198 CO -0.04 0.49 0.18 -0.44 0.00 0.00 0.00 179.25 179.44 3dgk h ASP 199 N 0.94 0.66 -0.26 0.00 3.32 -1.62 -2.52 116.42 116.94 3dgk h ASP 199 Ca 0.25 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3dgk h ASP 199 Cb -0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3dgk h ASP 199 CO -0.05 0.61 -0.25 0.24 -1.72 0.00 0.00 179.24 178.08 3dgk h MET 200 N 0.72 0.75 -0.13 3.56 2.86 -1.06 -1.15 114.93 120.48 3dgk h MET 200 Ca 0.17 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3dgk h MET 200 Cb 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3dgk h MET 200 CO -0.01 0.92 -0.02 2.35 1.06 0.00 0.00 176.91 181.21 3dgk h TRP 201 N 0.65 -0.05 -0.92 -0.22 2.91 -1.13 -2.11 115.95 115.08 3dgk h TRP 201 Ca 0.08 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.20 3dgk h TRP 201 Cb 0.76 0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.39 3dgk h TRP 201 CO 0.04 -0.05 0.59 0.77 -1.03 0.00 0.00 178.44 178.77 3dgk h SER 202 N 0.01 0.89 -0.67 2.65 0.02 -1.02 0.02 113.55 115.45 3dgk h SER 202 Ca 0.06 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3dgk h SER 202 Cb 0.09 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3dgk h SER 202 CO -0.13 0.54 0.42 0.40 -1.14 0.00 0.00 176.83 176.92 3dgk h ILE 203 N 0.99 1.09 -0.85 3.27 2.04 -0.92 0.31 117.51 123.44 3dgk h ILE 203 Ca 0.41 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 66.03 3dgk h ILE 203 Cb 0.29 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3dgk h ILE 203 CO -0.17 0.15 0.54 1.23 0.00 0.00 0.00 178.15 179.90 3dgk h GLY 204 N 0.82 1.25 0.79 5.37 0.00 -0.34 0.72 103.07 111.69 3dgk h GLY 204 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3dgk h GLY 204 CO -0.10 0.33 0.01 -2.08 0.00 0.00 0.00 176.54 174.70 3dgk h VAL 205 N 1.04 1.23 -0.68 4.60 2.07 -0.71 -1.42 116.25 122.38 3dgk h VAL 205 Ca 0.35 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3dgk h VAL 205 Cb 0.05 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3dgk h VAL 205 CO -0.13 0.22 0.41 0.40 0.02 0.00 0.00 177.57 178.48 3dgk h ILE 206 N -0.01 1.04 -0.52 4.57 2.04 -0.73 -1.07 117.51 122.82 3dgk h ILE 206 Ca 0.04 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3dgk h ILE 206 Cb 0.32 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3dgk h ILE 206 CO 0.00 0.14 0.33 0.74 0.00 0.00 0.00 178.15 179.37 3dgk h THR 207 N 0.77 1.14 -0.38 -0.27 2.02 -0.64 0.76 112.91 116.32 3dgk h THR 207 Ca 0.29 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3dgk h THR 207 Cb 0.09 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3dgk h THR 207 CO -0.14 0.14 0.11 0.22 0.37 0.00 0.00 175.52 176.23 3dgk h TYR 208 N 0.70 0.20 -0.47 3.16 5.03 -0.65 -1.69 116.97 123.25 3dgk h TYR 208 Ca 0.19 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 3dgk h TYR 208 Cb -0.05 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3dgk h TYR 208 CO -0.03 0.07 0.20 0.82 -1.32 0.00 0.00 178.16 177.89 3dgk h ILE 209 N 0.26 1.20 -0.90 1.81 2.04 -0.82 -2.24 117.51 118.86 3dgk h ILE 209 Ca 0.18 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.49 3dgk h ILE 209 Cb 0.18 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 3dgk h ILE 209 CO -0.20 0.23 0.56 -0.07 0.00 0.00 0.00 178.15 178.67 3dgk h LEU 210 N 0.61 0.89 -0.14 1.44 3.38 -0.41 0.15 115.31 121.23 3dgk h LEU 210 Ca 0.16 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 3dgk h LEU 210 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dgk h LEU 210 CO -0.01 0.56 -0.95 -0.07 0.09 0.00 0.00 178.44 178.06 3dgk h LEU 211 N 1.02 0.06 0.00 1.67 3.38 -1.16 -3.40 115.31 116.88 3dgk h LEU 211 Ca 0.39 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3dgk h LEU 211 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dgk h LEU 211 CO -0.18 0.97 -1.27 -1.54 0.09 0.00 0.00 178.44 176.52 3dgk n SER 212 N -3.47 3.94 0.00 -0.43 3.41 -0.86 -4.80 113.62 111.42 3dgk n SER 212 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3dgk n SER 212 Cb 0.88 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 3dgk n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dgk n GLY 213 N 2.58 0.69 3.37 5.00 0.00 0.50 -4.97 105.19 112.36 3dgk n GLY 213 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3dgk n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dgk s ALA 214 N -2.74 2.29 -0.20 4.61 0.00 -1.26 -5.04 121.76 119.42 3dgk s ALA 214 Ca 0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 3dgk s ALA 214 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3dgk s ALA 214 CO 0.00 0.52 0.32 0.45 0.00 0.00 0.00 175.76 177.05 3dgk s SER 215 N -1.99 6.36 0.39 0.00 0.15 -1.26 -3.72 113.70 113.62 3dgk s SER 215 Ca 0.13 0.42 0.18 0.00 0.70 0.00 0.00 55.95 57.37 3dgk s SER 215 Cb -0.10 -2.19 0.78 0.00 -1.71 0.00 0.00 66.02 62.79 3dgk s SER 215 CO 0.06 -0.02 1.79 1.55 1.20 0.00 0.00 173.24 177.82 3dgk h PRO 216 N 7.30 0.00 -0.01 5.44 0.13 -1.91 -3.24 132.00 139.71 3dgk h PRO 216 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3dgk h PRO 216 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3dgk h PRO 216 CO 0.71 0.36 -0.13 1.19 -0.23 0.00 0.00 178.00 179.89 3dgk n PHE 217 N -3.70 0.00 -1.69 1.56 3.72 -1.26 -4.46 117.46 111.63 3dgk n PHE 217 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3dgk n PHE 217 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 3dgk n PHE 217 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dgk s LEU 218 N -1.35 4.41 0.00 4.37 2.96 -1.23 -4.43 118.68 123.41 3dgk s LEU 218 Ca 0.06 2.75 0.02 0.00 -0.22 0.00 0.00 54.13 56.74 3dgk s LEU 218 Cb 0.06 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.21 3dgk s LEU 218 CO 0.17 -1.03 0.18 0.61 -1.32 0.00 0.00 176.35 174.96 3dgk n GLY 219 N 4.35 2.87 0.12 7.98 0.00 -1.26 -4.93 105.19 114.31 3dgk n GLY 219 Ca 0.18 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 44.11 3dgk n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dgk n ASP 220 N -1.97 0.81 -4.12 1.61 8.00 -1.26 -4.77 116.55 114.85 3dgk n ASP 220 Ca -0.01 0.60 -0.08 0.00 0.71 0.00 0.00 54.79 56.01 3dgk n ASP 220 Cb 0.27 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 3dgk n ASP 220 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dgk s THR 221 N -3.16 0.20 0.27 -3.53 -4.23 -1.26 -5.05 115.64 98.88 3dgk s THR 221 Ca 0.09 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3dgk s THR 221 Cb 0.11 -1.75 0.26 0.00 1.34 0.00 0.00 72.50 72.47 3dgk s THR 221 CO 0.55 -0.77 1.93 0.11 -0.54 0.00 0.00 174.62 175.90 3dgk h LYS 222 N 3.02 1.20 -0.56 3.99 1.57 -1.93 -1.85 116.57 122.00 3dgk h LYS 222 Ca -0.35 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 3dgk h LYS 222 Cb 1.17 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3dgk h LYS 222 CO 0.63 0.79 0.08 -0.56 -0.57 0.00 0.00 179.45 179.82 3dgk h GLN 223 N 1.23 0.91 -0.56 3.15 -0.00 -1.97 -1.12 115.11 116.76 3dgk h GLN 223 Ca 0.36 -0.23 -0.06 0.00 -0.00 0.00 0.00 58.65 58.73 3dgk h GLN 223 Cb -0.06 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 27.28 3dgk h GLN 223 CO -0.10 0.86 0.14 0.93 -0.00 0.00 0.00 178.83 180.66 3dgk h GLU 224 N 0.86 0.90 0.02 0.06 5.08 -1.86 -0.19 114.58 119.46 3dgk h GLU 224 Ca 0.17 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3dgk h GLU 224 Cb 0.40 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3dgk h GLU 224 CO 0.01 0.84 -0.05 1.15 -1.00 0.00 0.00 179.01 179.97 3dgk h THR 225 N 0.81 0.89 -0.70 1.13 2.02 -0.78 -0.54 112.91 115.74 3dgk h THR 225 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3dgk h THR 225 Cb 0.34 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3dgk h THR 225 CO 0.00 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 176.09 3dgk h LEU 226 N -0.09 0.96 -0.90 2.58 3.38 -1.10 0.17 115.31 120.30 3dgk h LEU 226 Ca 0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3dgk h LEU 226 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3dgk h LEU 226 CO -0.03 0.86 0.18 0.00 0.09 0.00 0.00 178.44 179.54 3dgk h ALA 227 N 1.28 1.11 -0.48 1.53 0.00 -0.72 -1.61 119.26 120.37 3dgk h ALA 227 Ca 0.24 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dgk h ALA 227 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dgk h ALA 227 CO -0.02 0.60 -0.06 -0.91 0.00 0.00 0.00 179.25 178.87 3dgk h ASN 228 N 0.96 0.87 -0.23 0.00 2.35 -0.39 -2.42 115.58 116.72 3dgk h ASN 228 Ca 0.21 -0.33 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3dgk h ASN 228 Cb 0.30 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3dgk h ASN 228 CO -0.01 1.00 0.10 0.58 -1.65 0.00 0.00 177.43 177.45 3dgk h VAL 229 N 0.73 0.97 -0.17 2.81 2.07 -0.76 0.35 116.25 122.25 3dgk h VAL 229 Ca 0.13 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3dgk h VAL 229 Cb 0.59 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3dgk h VAL 229 CO 0.04 0.04 -0.11 -1.28 0.02 0.00 0.00 177.57 176.27 3dgk h SER 230 N 0.22 0.26 0.11 0.57 0.87 -1.17 -1.56 113.55 112.84 3dgk h SER 230 Ca 0.09 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3dgk h SER 230 Cb 0.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3dgk h SER 230 CO -0.08 0.40 -0.11 0.00 -0.53 0.00 0.00 176.83 176.51 3dgk n ALA 231 N -2.49 2.79 -3.71 6.23 0.00 -0.92 -4.93 120.51 117.48 3dgk n ALA 231 Ca -0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 3dgk n ALA 231 Cb 0.26 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.59 3dgk n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dgk n VAL 232 N -0.23 -4.21 -2.97 0.00 0.31 -0.52 -4.89 118.33 105.82 3dgk n VAL 232 Ca 0.16 -0.41 -0.44 0.00 -0.01 0.00 0.00 64.34 63.64 3dgk n VAL 232 Cb 0.35 -3.75 -0.00 0.00 -0.91 0.00 0.00 33.84 29.52 3dgk n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3dgk s ASN 233 N -4.19 7.04 0.11 4.52 3.84 -0.00 -4.93 114.94 121.33 3dgk s ASN 233 Ca 0.11 -2.93 -0.06 0.00 0.21 0.00 0.00 52.86 50.19 3dgk s ASN 233 Cb -0.06 -2.39 -0.02 0.00 -0.55 0.00 0.00 41.25 38.24 3dgk s ASN 233 CO 0.81 -0.75 0.16 -0.72 -2.79 0.00 0.00 177.10 173.80 3dgk s TYR 234 N 1.54 0.38 0.13 0.43 1.13 -1.26 -4.66 117.35 115.04 3dgk s TYR 234 Ca 0.41 -0.81 -0.13 0.00 -1.41 0.00 0.00 57.07 55.13 3dgk s TYR 234 Cb -0.03 -0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.67 3dgk s TYR 234 CO -0.01 -0.56 0.35 -1.83 -2.51 0.00 0.00 175.55 170.98 3dgk s GLU 235 N -3.93 1.07 -0.68 -3.49 -1.05 -1.26 -5.11 118.70 104.25 3dgk s GLU 235 Ca 0.11 -0.86 -0.22 0.00 -0.15 0.00 0.00 54.97 53.85 3dgk s GLU 235 Cb 0.05 0.43 0.08 0.00 -0.44 0.00 0.00 34.13 34.25 3dgk s GLU 235 CO -0.06 -0.40 0.97 -0.06 0.95 0.00 0.00 175.26 176.66 3dgk s PHE 236 N -3.85 2.72 0.07 4.83 0.08 -1.26 -5.01 117.98 115.57 3dgk s PHE 236 Ca 0.06 -0.64 -0.31 0.00 0.12 0.00 0.00 56.93 56.16 3dgk s PHE 236 Cb 0.02 -4.28 -0.08 0.00 -0.57 0.00 0.00 43.02 38.11 3dgk s PHE 236 CO -0.09 -1.62 1.65 -1.21 -0.10 0.00 0.00 175.22 173.85 3dgk s GLU 237 N 3.89 4.20 0.29 0.44 0.41 -1.26 -4.83 118.70 121.84 3dgk s GLU 237 Ca 0.23 2.33 0.04 0.00 -0.41 0.00 0.00 54.97 57.16 3dgk s GLU 237 Cb -0.16 -3.57 0.67 0.00 -1.78 0.00 0.00 34.13 29.29 3dgk s GLU 237 CO 0.08 -0.73 1.79 -0.44 -0.49 0.00 0.00 175.26 175.48 3dgk h ASP 238 N 8.23 0.81 -0.30 -0.19 3.32 -1.95 0.95 116.42 127.30 3dgk h ASP 238 Ca -0.43 0.08 0.06 0.00 0.02 0.00 0.00 57.03 56.77 3dgk h ASP 238 Cb 1.20 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3dgk h ASP 238 CO 0.93 0.33 0.21 -0.08 -1.72 0.00 0.00 179.24 178.91 3dgk h GLU 239 N 0.82 0.14 0.00 3.56 4.81 -2.01 0.43 114.58 122.33 3dgk h GLU 239 Ca 0.55 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.49 3dgk h GLU 239 Cb 0.77 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 3dgk h GLU 239 CO -0.35 0.09 -2.28 0.66 -0.73 0.00 0.00 179.01 176.40 3dgk n TYR 240 N -4.48 0.00 0.13 0.92 4.01 -0.40 -4.60 117.16 112.74 3dgk n TYR 240 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 3dgk n TYR 240 Cb 0.27 -0.88 0.08 0.00 -0.31 0.00 0.00 39.34 38.51 3dgk n TYR 240 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3dgk n PHE 241 N -2.63 0.19 0.18 -0.72 3.01 0.19 -4.75 117.46 112.93 3dgk n PHE 241 Ca -0.26 -0.24 0.12 0.00 1.01 0.00 0.00 57.45 58.08 3dgk n PHE 241 Cb 1.02 -0.01 0.67 0.00 -0.01 0.00 0.00 39.48 41.15 3dgk n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3dgk h SER 242 N 1.75 0.00 -0.34 4.37 4.64 -1.13 -0.70 113.55 122.15 3dgk h SER 242 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dgk h SER 242 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3dgk h SER 242 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 3dgk n ASN 243 N -4.44 4.32 -4.80 4.97 3.02 -1.26 -4.96 115.26 112.11 3dgk n ASN 243 Ca 0.01 -2.99 -0.38 0.00 -0.03 0.00 0.00 54.58 51.18 3dgk n ASN 243 Cb 0.25 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 3dgk n ASN 243 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dgk s THR 244 N -2.80 4.92 0.66 3.41 2.01 -0.27 -5.03 115.64 118.54 3dgk s THR 244 Ca 0.45 1.06 -0.16 0.00 0.31 0.00 0.00 61.69 63.35 3dgk s THR 244 Cb 0.36 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 69.04 3dgk s THR 244 CO 0.11 0.51 1.15 -0.94 -0.69 0.00 0.00 174.62 174.76 3dgk s SER 245 N -0.71 4.91 0.39 3.53 1.04 -1.26 -4.91 113.70 116.68 3dgk s SER 245 Ca 0.27 2.17 0.11 0.00 0.48 0.00 0.00 55.95 58.98 3dgk s SER 245 Cb -0.18 -2.57 0.80 0.00 0.10 0.00 0.00 66.02 64.17 3dgk s SER 245 CO 0.16 -1.77 1.90 0.00 0.98 0.00 0.00 173.24 174.51 3dgk h ALA 246 N 0.17 1.50 -0.21 5.32 0.00 -1.97 -2.58 119.26 121.49 3dgk h ALA 246 Ca -0.48 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 3dgk h ALA 246 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dgk h ALA 246 CO 0.53 0.36 -0.33 1.25 0.00 0.00 0.00 179.25 181.06 3dgk h LEU 247 N 0.14 0.44 -0.42 0.00 5.85 -1.99 -0.09 115.31 119.23 3dgk h LEU 247 Ca 0.03 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3dgk h LEU 247 Cb 0.44 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3dgk h LEU 247 CO 0.03 0.74 0.24 0.00 -0.34 0.00 0.00 178.44 179.12 3dgk h ALA 248 N 1.29 0.54 -0.68 1.25 0.00 -1.84 -1.28 119.26 118.53 3dgk h ALA 248 Ca 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3dgk h ALA 248 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3dgk h ALA 248 CO 0.06 0.05 0.14 0.87 0.00 0.00 0.00 179.25 180.37 3dgk h LYS 249 N 0.56 1.11 -0.45 0.00 1.57 -1.17 -2.55 116.57 115.63 3dgk h LYS 249 Ca 0.15 -0.28 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3dgk h LYS 249 Cb 0.03 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 3dgk h LYS 249 CO -0.03 1.00 0.07 0.22 -0.57 0.00 0.00 179.45 180.14 3dgk h ASP 250 N 1.04 -0.04 -0.24 0.86 1.82 -0.77 0.01 116.42 119.10 3dgk h ASP 250 Ca 0.21 0.08 0.06 0.00 -0.39 0.00 0.00 57.03 56.99 3dgk h ASP 250 Cb 0.40 0.13 -0.06 0.00 0.68 0.00 0.00 39.33 40.48 3dgk h ASP 250 CO 0.01 0.01 -0.15 0.15 -1.61 0.00 0.00 179.24 177.65 3dgk h PHE 251 N 0.20 -0.38 -0.50 0.28 3.04 -0.99 -1.70 116.94 116.89 3dgk h PHE 251 Ca 0.22 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 3dgk h PHE 251 Cb 0.30 0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 3dgk h PHE 251 CO -0.23 -0.22 0.18 0.82 -2.02 0.00 0.00 178.31 176.83 3dgk h ILE 252 N -0.14 1.22 0.00 1.41 2.04 -1.12 -2.96 117.51 117.97 3dgk h ILE 252 Ca 0.13 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3dgk h ILE 252 Cb 0.34 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3dgk h ILE 252 CO -0.33 0.27 -0.09 0.03 0.00 0.00 0.00 178.15 178.03 3dgk h ARG 253 N 0.67 0.00 -0.00 2.37 3.08 -0.55 -0.05 114.38 119.91 3dgk h ARG 253 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3dgk h ARG 253 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3dgk h ARG 253 CO -0.01 0.09 -0.26 0.54 -1.07 0.00 0.00 179.97 179.26 3dgk n ARG 254 N -3.64 0.12 -0.11 0.04 1.74 -0.68 -4.04 116.66 110.09 3dgk n ARG 254 Ca -0.02 -0.05 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 3dgk n ARG 254 Cb 0.20 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 3dgk n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dgk n LEU 255 N -1.40 2.00 -3.62 0.55 4.77 -0.31 -1.64 117.00 117.35 3dgk n LEU 255 Ca 0.07 -0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 3dgk n LEU 255 Cb 0.33 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3dgk n LEU 255 CO 0.30 0.78 2.54 0.18 -1.33 0.00 0.00 177.39 179.86 3dgk n LEU 256 N -3.12 7.52 -4.09 2.23 4.77 -0.18 -4.30 117.00 119.82 3dgk n LEU 256 Ca -0.40 -4.55 -0.30 0.00 -0.03 0.00 0.00 56.01 50.74 3dgk n LEU 256 Cb 1.05 -1.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.47 3dgk n LEU 256 CO 0.33 1.65 -0.51 -0.69 -1.33 0.00 0.00 177.39 176.84 3dgk s VAL 257 N 0.95 1.66 0.12 4.08 1.01 -1.26 -4.95 120.40 122.01 3dgk s VAL 257 Ca 0.51 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3dgk s VAL 257 Cb 0.15 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 3dgk s VAL 257 CO -0.06 0.47 1.77 0.50 0.00 0.00 0.00 175.10 177.79 3dgk h LYS 258 N 7.41 0.23 -6.32 2.72 3.64 -1.96 -3.41 116.57 118.88 3dgk h LYS 258 Ca -0.32 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.48 3dgk h LYS 258 Cb 1.18 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 3dgk h LYS 258 CO 0.51 0.15 1.02 0.34 -2.27 0.00 0.00 179.45 179.20 3dgk s ASP 259 N -5.35 6.58 0.53 4.20 -1.08 -1.26 -4.80 116.67 115.49 3dgk s ASP 259 Ca -0.13 1.37 0.24 0.00 -0.52 0.00 0.00 52.55 53.50 3dgk s ASP 259 Cb 0.08 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.46 3dgk s ASP 259 CO 0.69 -1.13 2.13 -0.65 0.52 0.00 0.00 175.17 176.73 3dgk h PRO 260 N 9.74 0.00 0.00 4.34 0.11 -1.98 -0.87 132.00 143.34 3dgk h PRO 260 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3dgk h PRO 260 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dgk h PRO 260 CO 1.02 0.07 -0.04 0.87 -0.21 0.00 0.00 178.00 179.72 3dgk h LYS 261 N 0.00 0.00 -0.02 1.05 1.57 -1.95 -2.91 116.57 114.32 3dgk h LYS 261 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dgk h LYS 261 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dgk h LYS 261 CO 0.01 0.04 -0.39 1.63 -0.57 0.00 0.00 179.45 180.17 3dgk n LYS 262 N -3.14 1.43 -2.62 3.15 5.02 -0.35 -4.97 118.16 116.69 3dgk n LYS 262 Ca 0.01 -1.02 -0.35 0.00 -2.02 0.00 0.00 58.31 54.93 3dgk n LYS 262 Cb 0.35 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 3dgk n LYS 262 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3dgk s ARG 263 N -2.24 4.07 0.37 1.97 3.52 -1.10 -5.00 118.95 120.54 3dgk s ARG 263 Ca 0.17 1.35 -0.28 0.00 -0.13 0.00 0.00 55.73 56.85 3dgk s ARG 263 Cb 0.16 -2.31 -0.11 0.00 -1.56 0.00 0.00 34.95 31.14 3dgk s ARG 263 CO 0.49 -0.20 1.48 -1.33 -0.81 0.00 0.00 175.30 174.94 3dgk n MET 264 N -0.50 2.63 -2.16 5.12 2.81 -0.65 -5.02 117.12 119.36 3dgk n MET 264 Ca 0.07 0.92 -0.27 0.00 -1.81 0.00 0.00 57.70 56.61 3dgk n MET 264 Cb 0.52 -2.65 0.12 0.00 -0.71 0.00 0.00 33.22 30.50 3dgk n MET 264 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dgk s THR 265 N -1.01 2.13 0.22 2.03 -4.23 -1.26 -4.87 115.64 108.65 3dgk s THR 265 Ca 0.54 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.76 3dgk s THR 265 Cb -0.49 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 70.62 3dgk s THR 265 CO 0.62 0.00 1.82 -0.29 -0.54 0.00 0.00 174.62 176.23 3dgk h ILE 266 N -0.97 1.26 -0.66 2.99 6.09 -1.95 -0.21 117.51 124.05 3dgk h ILE 266 Ca -0.43 -0.70 -0.08 0.00 -1.37 0.00 0.00 64.86 62.28 3dgk h ILE 266 Cb 1.28 0.17 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 3dgk h ILE 266 CO 0.50 0.30 0.09 1.56 -3.07 0.00 0.00 178.15 177.53 3dgk h GLN 267 N 1.19 1.10 -0.68 2.19 4.20 -1.98 -2.17 115.11 118.95 3dgk h GLN 267 Ca 0.29 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3dgk h GLN 267 Cb 0.10 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3dgk h GLN 267 CO -0.04 1.01 0.43 -0.44 -0.67 0.00 0.00 178.83 179.12 3dgk h ASP 268 N 1.03 0.71 -0.52 1.46 3.32 -1.77 -2.63 116.42 118.01 3dgk h ASP 268 Ca 0.20 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3dgk h ASP 268 Cb 0.46 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3dgk h ASP 268 CO 0.02 0.50 0.20 0.28 -1.72 0.00 0.00 179.24 178.52 3dgk h SER 269 N 0.85 0.77 1.28 6.45 0.02 -0.54 -0.63 113.55 121.74 3dgk h SER 269 Ca 0.27 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3dgk h SER 269 Cb -0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3dgk h SER 269 CO -0.10 0.71 0.00 -0.07 -1.14 0.00 0.00 176.83 176.23 3dgk h LEU 270 N 0.82 0.00 0.00 5.07 3.38 -1.08 -3.08 115.31 120.43 3dgk h LEU 270 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3dgk h LEU 270 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3dgk h LEU 270 CO -0.01 0.00 -0.99 0.00 0.09 0.00 0.00 178.44 177.53 3dgk n GLN 271 N -3.03 0.06 -1.71 1.13 1.13 -0.75 -3.82 117.38 110.38 3dgk n GLN 271 Ca 0.02 -0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 3dgk n GLN 271 Cb 0.36 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 3dgk n GLN 271 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3dgk n HIS 272 N -1.58 2.55 0.17 1.08 -0.00 -0.32 -4.60 115.22 112.52 3dgk n HIS 272 Ca 0.04 0.35 0.18 0.00 0.46 0.00 0.00 57.72 58.75 3dgk n HIS 272 Cb 0.35 -2.53 0.73 0.00 -0.12 0.00 0.00 29.99 28.43 3dgk n HIS 272 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dgk h PRO 273 N 4.36 0.00 0.00 1.57 0.11 -1.91 0.64 132.00 136.78 3dgk h PRO 273 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3dgk h PRO 273 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3dgk h PRO 273 CO 0.76 0.00 -0.62 2.35 -0.21 0.00 0.00 178.00 180.28 3dgk h TRP 274 N 0.00 0.00 0.00 0.65 7.01 -1.89 -3.36 115.95 118.36 3dgk h TRP 274 Ca 0.13 0.00 -0.40 0.00 2.11 0.00 0.00 58.89 60.73 3dgk h TRP 274 Cb 1.05 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.04 3dgk h TRP 274 CO 0.00 0.62 -2.42 -0.89 -2.79 0.00 0.00 178.44 172.96 3dgk n ILE 275 N -3.77 1.41 -1.69 2.65 2.08 -0.08 -5.00 119.36 114.97 3dgk n ILE 275 Ca -0.01 -0.45 -0.45 0.00 0.56 0.00 0.00 62.75 62.40 3dgk n ILE 275 Cb 0.63 -1.60 -0.04 0.00 -0.75 0.00 0.00 39.64 37.88 3dgk n ILE 275 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3dgk n LYS 276 N -3.67 2.43 0.00 0.38 4.81 0.02 -5.01 118.16 117.12 3dgk n LYS 276 Ca -0.47 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3dgk n LYS 276 Cb 0.91 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3dgk n LYS 276 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3dgk n PRO 277 N 4.25 0.25 0.00 1.64 -0.04 -1.26 -4.92 135.00 134.93 3dgk n PRO 277 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3dgk n PRO 277 Cb 0.32 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3dgk n PRO 277 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3dgk n GLN 292 N 0.80 0.00 0.00 0.54 1.13 -1.26 -5.14 117.38 113.45 3dgk n GLN 292 Ca 0.00 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 3dgk n GLN 292 Cb 0.12 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.52 3dgk n GLN 292 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81