#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tgk n GLY 18 N 0.00 3.03 2.71 3.14 0.00 -1.25 -2.03 105.19 110.79 3tgk n GLY 18 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3tgk n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tgk n GLY 19 N -2.00 -1.81 3.15 -0.02 0.00 -1.26 -4.94 105.19 98.31 3tgk n GLY 19 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 3tgk n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3tgk s TYR 20 N -2.89 0.86 0.12 1.61 1.13 0.00 -4.92 117.35 113.26 3tgk s TYR 20 Ca 0.54 -0.84 -0.31 0.00 -1.41 0.00 0.00 57.07 55.05 3tgk s TYR 20 Cb -0.03 -0.50 -0.08 0.00 -1.10 0.00 0.00 41.96 40.26 3tgk s TYR 20 CO 0.39 -0.14 1.35 0.99 -2.51 0.00 0.00 175.55 175.63 3tgk s THR 21 N -3.22 3.42 0.66 -3.49 2.01 -1.26 0.11 115.64 113.87 3tgk s THR 21 Ca 0.08 1.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.96 3tgk s THR 21 Cb 0.03 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3tgk s THR 21 CO -0.04 0.09 1.13 0.00 -0.69 0.00 0.00 174.62 175.12 3tgk s GLN 23 N -3.95 4.40 0.01 0.00 0.74 -1.26 -4.87 119.66 114.72 3tgk s GLN 23 Ca 0.69 2.14 -0.37 0.00 0.05 0.00 0.00 55.36 57.87 3tgk s GLN 23 Cb -0.23 -3.11 -0.16 0.00 1.10 0.00 0.00 33.01 30.61 3tgk s GLN 23 CO 0.41 -0.16 1.48 -1.91 -0.55 0.00 0.00 175.29 174.56 3tgk n GLU 24 N 1.26 1.31 -2.11 1.67 2.13 -1.26 -1.38 120.64 122.27 3tgk n GLU 24 Ca 0.01 0.47 -0.17 0.00 0.66 0.00 0.00 57.16 58.13 3tgk n GLU 24 Cb 0.42 -2.15 -0.03 0.00 0.27 0.00 0.00 31.44 29.95 3tgk n GLU 24 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3tgk n ASN 25 N 3.43 -4.90 -0.03 4.31 3.02 -1.26 -4.86 115.26 114.96 3tgk n ASN 25 Ca 0.20 0.19 0.13 0.00 -0.03 0.00 0.00 54.58 55.07 3tgk n ASN 25 Cb 0.19 -4.21 0.43 0.00 -0.61 0.00 0.00 39.78 35.59 3tgk n ASN 25 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3tgk n SER 26 N -1.60 0.36 -3.48 6.41 3.41 -0.48 -4.10 113.62 114.13 3tgk n SER 26 Ca -0.19 -0.08 -0.27 0.00 -0.26 0.00 0.00 58.87 58.07 3tgk n SER 26 Cb 0.63 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 3tgk n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3tgk n VAL 27 N -1.38 1.23 0.28 -3.33 0.31 -1.26 -4.97 118.33 109.22 3tgk n VAL 27 Ca 0.08 -4.72 0.11 0.00 -0.01 0.00 0.00 64.34 59.79 3tgk n VAL 27 Cb 0.33 -2.05 0.52 0.00 -0.91 0.00 0.00 33.84 31.73 3tgk n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3tgk n PRO 28 N 1.41 0.16 0.00 5.55 -0.04 -1.26 -2.33 135.00 138.49 3tgk n PRO 28 Ca 0.26 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 3tgk n PRO 28 Cb 0.43 -1.90 0.28 0.00 -0.04 0.00 0.00 33.50 32.27 3tgk n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3tgk n TYR 29 N -2.22 0.00 -2.46 0.54 0.18 -1.19 -2.19 117.16 109.82 3tgk n TYR 29 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 3tgk n TYR 29 Cb 0.13 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 38.91 3tgk n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3tgk s GLN 30 N -2.70 4.49 0.27 -3.48 2.00 -0.98 -0.84 119.66 118.42 3tgk s GLN 30 Ca 0.18 1.75 0.07 0.00 -2.00 0.00 0.00 55.36 55.37 3tgk s GLN 30 Cb 0.18 -3.32 -0.06 0.00 0.80 0.00 0.00 33.01 30.62 3tgk s GLN 30 CO 0.60 -0.13 -0.08 0.14 -0.50 0.00 0.00 175.29 175.33 3tgk s VAL 31 N 0.52 1.75 -0.10 1.34 -7.23 -0.49 -4.48 120.40 111.71 3tgk s VAL 31 Ca 0.55 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3tgk s VAL 31 Cb -0.29 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3tgk s VAL 31 CO 0.32 -0.34 -0.19 -0.55 -0.31 0.00 0.00 175.10 174.03 3tgk s SER 32 N -3.44 3.49 -0.20 4.85 0.15 -0.67 -2.57 113.70 115.31 3tgk s SER 32 Ca 0.29 -0.44 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 3tgk s SER 32 Cb 0.03 -1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 62.92 3tgk s SER 32 CO 0.12 0.19 0.26 -0.76 1.20 0.00 0.00 173.24 174.24 3tgk s LEU 33 N 0.20 4.17 -0.05 3.45 1.43 0.23 -0.80 118.68 127.31 3tgk s LEU 33 Ca -0.12 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3tgk s LEU 33 Cb -0.16 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3tgk s LEU 33 CO 0.06 0.05 -0.07 0.21 0.23 0.00 0.00 176.35 176.83 3tgk s ASN 34 N 0.81 1.19 -0.10 2.29 3.84 0.05 -2.15 114.94 120.88 3tgk s ASN 34 Ca 0.13 -0.18 0.14 0.00 0.21 0.00 0.00 52.86 53.16 3tgk s ASN 34 Cb -0.13 -0.57 0.27 0.00 -0.55 0.00 0.00 41.25 40.28 3tgk s ASN 34 CO 0.04 -0.03 1.13 -0.24 -2.79 0.00 0.00 177.10 175.22 3tgk n SER 37 N 3.96 1.40 0.00 -4.21 2.88 -1.26 -1.00 113.62 115.39 3tgk n SER 37 Ca -0.24 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 3tgk n SER 37 Cb 0.51 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 3tgk n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3tgk n GLY 38 N -0.69 1.91 3.57 0.46 0.00 -1.26 -5.06 105.19 104.11 3tgk n GLY 38 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3tgk n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3tgk s TYR 39 N 0.00 0.01 0.03 1.61 -0.85 -1.26 -5.13 117.35 111.75 3tgk s TYR 39 Ca 0.00 -0.37 -0.30 0.00 -0.52 0.00 0.00 57.07 55.87 3tgk s TYR 39 Cb 0.00 0.36 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 3tgk s TYR 39 CO 0.00 -0.96 1.36 -1.58 -1.52 0.00 0.00 175.55 172.85 3tgk s HIS 40 N -3.92 3.02 0.00 -3.49 5.65 -1.26 -4.35 115.29 110.95 3tgk s HIS 40 Ca 0.13 0.93 0.00 0.00 0.25 0.00 0.00 55.06 56.37 3tgk s HIS 40 Cb -0.01 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 3tgk s HIS 40 CO 0.01 -2.21 0.00 1.97 -0.65 0.00 0.00 174.74 173.86 3tgk n PHE 41 N 4.90 0.00 -3.66 3.88 -1.74 -0.91 -5.03 117.46 114.90 3tgk n PHE 41 Ca 0.12 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.92 3tgk n PHE 41 Cb 0.44 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 3tgk n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3tgk n GLY 43 N -0.42 2.87 3.78 0.00 0.00 0.16 -0.60 105.19 110.97 3tgk n GLY 43 Ca -0.10 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.71 3tgk n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3tgk s GLY 44 N -2.88 -0.28 -0.02 -0.02 0.00 -1.06 -3.87 107.32 99.19 3tgk s GLY 44 Ca 0.16 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.30 3tgk s GLY 44 CO 0.10 2.38 -0.13 -0.56 0.00 0.00 0.00 173.10 174.90 3tgk s SER 45 N -3.33 1.56 -0.38 1.64 0.01 0.07 -1.40 113.70 111.88 3tgk s SER 45 Ca 0.20 -0.24 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 3tgk s SER 45 Cb 0.02 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.95 3tgk s SER 45 CO -0.02 0.13 0.88 -0.22 0.41 0.00 0.00 173.24 174.41 3tgk s LEU 46 N -0.06 4.05 -0.01 2.44 2.96 -0.02 -0.45 118.68 127.59 3tgk s LEU 46 Ca 0.00 0.46 0.21 0.00 -0.22 0.00 0.00 54.13 54.58 3tgk s LEU 46 Cb -0.08 -3.17 -0.27 0.00 0.50 0.00 0.00 46.19 43.17 3tgk s LEU 46 CO 0.00 -0.83 0.71 2.30 -1.32 0.00 0.00 176.35 177.21 3tgk n ILE 47 N 5.95 0.00 -3.81 6.68 -5.35 -0.81 -1.34 119.36 120.68 3tgk n ILE 47 Ca 0.06 -0.20 -0.05 0.00 -0.27 0.00 0.00 62.75 62.28 3tgk n ILE 47 Cb 0.48 0.60 -0.02 0.00 -1.74 0.00 0.00 39.64 38.97 3tgk n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3tgk s ASN 48 N -3.55 -0.22 0.00 7.28 2.20 -1.20 -4.62 114.94 114.83 3tgk s ASN 48 Ca 0.02 -0.50 0.00 0.00 -0.94 0.00 0.00 52.86 51.43 3tgk s ASN 48 Cb 0.15 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 40.01 3tgk s ASN 48 CO 0.86 -1.12 0.94 -0.90 -2.94 0.00 0.00 177.10 173.94 3tgk n ASP 49 N -0.47 0.00 -0.04 3.54 5.75 -1.26 -2.66 116.55 121.40 3tgk n ASP 49 Ca -0.05 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 3tgk n ASP 49 Cb 0.60 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3tgk n ASP 49 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3tgk n GLN 50 N -1.44 0.64 -4.16 0.11 7.27 -1.26 -1.21 117.38 117.32 3tgk n GLN 50 Ca 0.00 -0.80 -0.16 0.00 0.07 0.00 0.00 57.00 56.11 3tgk n GLN 50 Cb 0.00 -0.63 -0.15 0.00 2.41 0.00 0.00 30.24 31.88 3tgk n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3tgk s TRP 51 N -0.28 0.51 0.04 3.69 0.52 -1.09 -0.33 118.94 122.01 3tgk s TRP 51 Ca 0.01 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.11 3tgk s TRP 51 Cb 0.01 -0.36 -0.03 0.00 -1.15 0.00 0.00 33.47 31.94 3tgk s TRP 51 CO 0.00 -0.03 -0.22 0.08 0.02 0.00 0.00 176.95 176.79 3tgk s VAL 52 N 0.04 1.81 -0.08 4.03 1.01 0.38 -1.93 120.40 125.66 3tgk s VAL 52 Ca -0.00 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.75 3tgk s VAL 52 Cb -0.04 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3tgk s VAL 52 CO -0.00 0.27 -0.11 0.54 0.00 0.00 0.00 175.10 175.80 3tgk s VAL 53 N -0.79 3.32 0.00 2.92 0.11 0.41 -0.69 120.40 125.69 3tgk s VAL 53 Ca 0.09 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 3tgk s VAL 53 Cb -0.09 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 3tgk s VAL 53 CO 0.02 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.12 3tgk n SER 54 N 2.68 0.00 -4.87 3.54 2.88 -0.11 -0.75 113.62 117.00 3tgk n SER 54 Ca -0.18 -0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 56.24 3tgk n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 3tgk n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3tgk s ALA 55 N -1.52 3.75 0.45 -1.46 0.00 -1.26 -1.00 121.76 120.71 3tgk s ALA 55 Ca 0.00 -0.40 0.14 0.00 0.00 0.00 0.00 51.96 51.70 3tgk s ALA 55 Cb 0.00 -2.24 1.01 0.00 0.00 0.00 0.00 23.12 21.89 3tgk s ALA 55 CO 0.00 0.57 2.00 0.00 0.00 0.00 0.00 175.76 178.34 3tgk h ALA 56 N 3.85 1.72 0.00 0.00 0.00 -1.71 -1.52 119.26 121.60 3tgk h ALA 56 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3tgk h ALA 56 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3tgk h ALA 56 CO 0.66 0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 3tgk n HIS 57 N -4.34 0.00 0.77 0.00 1.44 -1.26 -2.08 115.22 109.75 3tgk n HIS 57 Ca -0.02 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.79 3tgk n HIS 57 Cb 0.23 -0.10 0.28 0.00 0.12 0.00 0.00 29.99 30.52 3tgk n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3tgk n TYR 59 N 0.79 2.82 -3.77 0.00 9.36 -0.88 -5.01 117.16 120.47 3tgk n TYR 59 Ca 0.17 0.34 -0.13 0.00 3.32 0.00 0.00 57.90 61.59 3tgk n TYR 59 Cb 0.42 -2.56 -0.09 0.00 -0.63 0.00 0.00 39.34 36.48 3tgk n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3tgk s LYS 60 N -1.03 0.63 0.32 2.98 1.02 -1.26 -5.06 119.74 117.35 3tgk s LYS 60 Ca 0.61 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.51 3tgk s LYS 60 Cb -0.50 0.28 0.56 0.00 -0.52 0.00 0.00 37.83 37.65 3tgk s LYS 60 CO 0.54 -0.16 1.81 0.66 -0.92 0.00 0.00 175.35 177.27 3tgk h SER 61 N 4.07 0.39 -3.20 2.83 4.64 -2.04 -3.41 113.55 116.84 3tgk h SER 61 Ca -0.29 -0.11 -0.61 0.00 -0.47 0.00 0.00 61.79 60.31 3tgk h SER 61 Cb 1.18 -0.10 -0.35 0.00 -0.31 0.00 0.00 62.40 62.81 3tgk h SER 61 CO 0.39 0.58 -0.84 -0.13 -0.87 0.00 0.00 176.83 175.96 3tgk s ARG 62 N -4.65 2.40 -0.02 4.77 0.52 -1.26 -5.05 118.95 115.65 3tgk s ARG 62 Ca -0.06 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3tgk s ARG 62 Cb 0.15 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.56 3tgk s ARG 62 CO 0.77 -0.11 -0.03 0.42 0.02 0.00 0.00 175.30 176.36 3tgk s ILE 63 N 1.13 0.34 -0.16 1.52 1.01 -1.26 -4.70 121.20 119.07 3tgk s ILE 63 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 3tgk s ILE 63 Cb -0.14 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 3tgk s ILE 63 CO -0.05 0.14 -0.05 -1.58 0.00 0.00 0.00 174.94 173.40 3tgk s GLN 64 N 0.50 3.59 -0.18 2.79 0.74 -0.17 -1.27 119.66 125.66 3tgk s GLN 64 Ca -0.05 -0.56 -0.14 0.00 0.05 0.00 0.00 55.36 54.66 3tgk s GLN 64 Cb -0.09 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 31.10 3tgk s GLN 64 CO -0.01 0.19 0.29 0.08 -0.55 0.00 0.00 175.29 175.29 3tgk s VAL 66 N 0.49 5.30 -0.22 1.34 1.01 0.16 -0.77 120.40 127.70 3tgk s VAL 66 Ca -0.04 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 3tgk s VAL 66 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3tgk s VAL 66 CO 0.03 0.36 -0.08 -0.13 0.00 0.00 0.00 175.10 175.29 3tgk s ARG 67 N 0.69 3.12 0.26 2.72 0.52 0.02 -1.07 118.95 125.20 3tgk s ARG 67 Ca 0.15 -0.79 0.08 0.00 -0.52 0.00 0.00 55.73 54.66 3tgk s ARG 67 Cb -0.13 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3tgk s ARG 67 CO 0.04 -0.27 0.08 -0.51 0.02 0.00 0.00 175.30 174.66 3tgk s LEU 68 N 1.39 3.46 -1.07 2.53 1.02 0.25 -1.68 118.68 124.59 3tgk s LEU 68 Ca 0.04 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.72 3tgk s LEU 68 Cb -0.15 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.07 3tgk s LEU 68 CO -0.05 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.91 3tgk n GLY 69 N -0.99 0.91 3.86 -3.19 0.00 -1.26 -1.14 105.19 103.38 3tgk n GLY 69 Ca -0.07 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3tgk n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tgk s GLU 70 N -3.25 3.95 0.15 1.61 0.41 -1.26 -3.96 118.70 116.35 3tgk s GLU 70 Ca 0.00 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 3tgk s GLU 70 Cb 0.00 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 3tgk s GLU 70 CO 0.00 0.23 0.00 1.58 -0.49 0.00 0.00 175.26 176.58 3tgk n HIS 71 N -0.21 -1.15 -3.43 1.61 -0.00 -1.26 -4.75 115.22 106.04 3tgk n HIS 71 Ca 0.02 0.20 -0.44 0.00 -0.00 0.00 0.00 57.72 57.51 3tgk n HIS 71 Cb 0.53 0.38 -0.08 0.00 -0.00 0.00 0.00 29.99 30.81 3tgk n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3tgk s ASN 72 N -4.98 6.06 0.00 0.26 3.84 -1.26 -2.31 114.94 116.56 3tgk s ASN 72 Ca 0.00 -1.31 0.20 0.00 0.21 0.00 0.00 52.86 51.96 3tgk s ASN 72 Cb 0.00 -2.15 1.08 0.00 -0.55 0.00 0.00 41.25 39.63 3tgk s ASN 72 CO 0.00 -0.61 1.60 2.30 -2.79 0.00 0.00 177.10 177.60 3tgk n ILE 73 N 5.16 0.23 0.92 -5.21 -5.35 -0.66 -2.83 119.36 111.62 3tgk n ILE 73 Ca -0.12 0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.53 3tgk n ILE 73 Cb 0.44 -0.74 0.10 0.00 -1.74 0.00 0.00 39.64 37.70 3tgk n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3tgk n ASN 74 N -1.16 2.94 -3.94 7.28 3.02 -1.26 -4.93 115.26 117.20 3tgk n ASN 74 Ca 0.12 -1.96 -0.16 0.00 -0.03 0.00 0.00 54.58 52.55 3tgk n ASN 74 Cb 0.12 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.13 3tgk n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3tgk s VAL 75 N -1.89 0.37 -0.52 2.41 1.01 -1.13 -4.82 120.40 115.83 3tgk s VAL 75 Ca 0.27 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3tgk s VAL 75 Cb 0.19 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.27 3tgk s VAL 75 CO 0.29 0.12 1.20 -0.22 0.00 0.00 0.00 175.10 176.49 3tgk s LEU 76 N 0.02 3.53 0.13 3.92 2.96 -1.26 -4.79 118.68 123.19 3tgk s LEU 76 Ca 0.00 0.32 0.22 0.00 -0.22 0.00 0.00 54.13 54.45 3tgk s LEU 76 Cb -0.03 -3.35 -0.10 0.00 0.50 0.00 0.00 46.19 43.21 3tgk s LEU 76 CO -0.00 -1.40 0.88 -0.62 -1.32 0.00 0.00 176.35 173.88 3tgk n GLU 77 N 8.19 0.62 0.00 1.98 1.02 -1.26 -5.01 120.64 126.18 3tgk n GLU 77 Ca 0.11 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3tgk n GLU 77 Cb 0.49 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3tgk n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3tgk n GLY 78 N 1.22 2.64 0.51 0.62 0.00 -1.26 -4.93 105.19 103.99 3tgk n GLY 78 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3tgk n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3tgk n ASN 79 N 0.00 2.01 -4.78 1.61 5.03 -1.26 -5.01 115.26 112.85 3tgk n ASN 79 Ca 0.00 -1.51 -0.35 0.00 0.87 0.00 0.00 54.58 53.60 3tgk n ASN 79 Cb 0.00 0.40 -0.02 0.00 -1.02 0.00 0.00 39.78 39.15 3tgk n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3tgk s GLU 80 N -2.17 3.62 -0.07 3.52 8.01 -1.25 -4.51 118.70 125.84 3tgk s GLU 80 Ca 0.18 1.52 0.02 0.00 0.01 0.00 0.00 54.97 56.70 3tgk s GLU 80 Cb 0.16 -2.11 0.01 0.00 -4.31 0.00 0.00 34.13 27.89 3tgk s GLU 80 CO 0.47 -0.61 -0.12 -0.65 0.01 0.00 0.00 175.26 174.36 3tgk s GLN 81 N -3.16 1.67 -0.26 1.61 -0.21 -0.29 -4.97 119.66 114.05 3tgk s GLN 81 Ca 0.69 -0.39 -0.05 0.00 0.02 0.00 0.00 55.36 55.63 3tgk s GLN 81 Cb -0.21 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.38 3tgk s GLN 81 CO 0.25 -0.01 0.02 -0.06 -2.12 0.00 0.00 175.29 173.37 3tgk s PHE 82 N 0.78 3.07 -0.02 0.91 0.40 -1.26 -0.59 117.98 121.27 3tgk s PHE 82 Ca -0.12 -1.02 0.02 0.00 -0.60 0.00 0.00 56.93 55.21 3tgk s PHE 82 Cb -0.15 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.21 3tgk s PHE 82 CO 0.02 -0.57 -0.08 0.08 0.70 0.00 0.00 175.22 175.37 3tgk s VAL 83 N 1.47 0.70 0.32 -0.44 1.01 -0.24 -4.99 120.40 118.24 3tgk s VAL 83 Ca 0.03 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 3tgk s VAL 83 Cb -0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 3tgk s VAL 83 CO -0.00 0.22 0.84 0.20 0.00 0.00 0.00 175.10 176.36 3tgk s ASN 84 N 0.09 7.06 -0.01 3.32 0.01 -1.26 0.37 114.94 124.52 3tgk s ASN 84 Ca -0.01 1.58 -0.30 0.00 -0.71 0.00 0.00 52.86 53.42 3tgk s ASN 84 Cb -0.07 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3tgk s ASN 84 CO 0.00 -0.13 1.05 0.00 -1.51 0.00 0.00 177.10 176.51 3tgk s ALA 85 N -1.79 3.29 -0.16 0.60 0.00 -0.39 -0.60 121.76 122.71 3tgk s ALA 85 Ca 0.52 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.00 3tgk s ALA 85 Cb -0.14 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.34 3tgk s ALA 85 CO 0.19 -0.40 0.22 0.00 0.00 0.00 0.00 175.76 175.78 3tgk n ALA 86 N 4.25 1.00 -3.06 0.00 0.00 0.12 -4.79 120.51 118.04 3tgk n ALA 86 Ca 0.08 -0.70 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 3tgk n ALA 86 Cb 0.49 -0.54 -0.15 0.00 0.00 0.00 0.00 19.45 19.25 3tgk n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3tgk s LYS 87 N -2.54 0.62 -0.17 0.00 1.02 -1.08 -4.99 119.74 112.61 3tgk s LYS 87 Ca -0.26 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 55.56 3tgk s LYS 87 Cb 0.07 -0.62 0.03 0.00 -0.52 0.00 0.00 37.83 36.79 3tgk s LYS 87 CO 0.72 0.06 -0.15 0.42 -0.92 0.00 0.00 175.35 175.49 3tgk s ILE 88 N 0.23 1.72 -0.25 2.17 1.01 -1.26 -0.58 121.20 124.23 3tgk s ILE 88 Ca -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3tgk s ILE 88 Cb -0.07 -1.64 0.06 0.00 0.01 0.00 0.00 42.46 40.83 3tgk s ILE 88 CO -0.00 0.41 -0.09 -0.63 0.00 0.00 0.00 174.94 174.64 3tgk s ILE 89 N 1.41 1.93 0.43 2.92 1.01 0.67 -4.99 121.20 124.58 3tgk s ILE 89 Ca 0.03 -1.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 3tgk s ILE 89 Cb -0.14 -2.10 -0.06 0.00 0.01 0.00 0.00 42.46 40.17 3tgk s ILE 89 CO -0.11 -0.07 0.80 -0.54 0.00 0.00 0.00 174.94 175.03 3tgk s LYS 90 N 1.21 3.78 0.31 2.79 1.02 -1.26 -0.39 119.74 127.21 3tgk s LYS 90 Ca -0.07 0.52 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 3tgk s LYS 90 Cb -0.20 -2.35 -0.11 0.00 -0.52 0.00 0.00 37.83 34.65 3tgk s LYS 90 CO -0.06 -0.08 1.54 -1.58 -0.92 0.00 0.00 175.35 174.25 3tgk s HIS 91 N -2.43 2.74 0.61 3.18 5.65 -0.44 -4.87 115.29 119.73 3tgk s HIS 91 Ca 0.52 0.93 0.33 0.00 0.25 0.00 0.00 55.06 57.09 3tgk s HIS 91 Cb -0.10 -4.02 1.96 0.00 -1.18 0.00 0.00 32.58 29.24 3tgk s HIS 91 CO 0.32 -3.29 2.27 -1.00 -0.65 0.00 0.00 174.74 172.39 3tgk h PRO 92 N 4.32 0.00 -0.45 2.88 0.13 -1.93 -2.51 132.00 134.44 3tgk h PRO 92 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3tgk h PRO 92 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 3tgk h PRO 92 CO 0.75 0.00 0.06 0.09 -0.23 0.00 0.00 178.00 178.67 3tgk n ASN 93 N -3.64 4.34 -4.73 1.44 3.02 -1.26 -5.00 115.26 109.42 3tgk n ASN 93 Ca -0.03 -3.14 -0.42 0.00 -0.03 0.00 0.00 54.58 50.96 3tgk n ASN 93 Cb 0.10 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3tgk n ASN 93 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3tgk s PHE 94 N -2.91 2.93 -0.24 3.10 5.36 -0.95 -4.67 117.98 120.60 3tgk s PHE 94 Ca 0.48 0.72 -0.02 0.00 -0.96 0.00 0.00 56.93 57.15 3tgk s PHE 94 Cb 0.39 -3.98 0.02 0.00 -0.34 0.00 0.00 43.02 39.11 3tgk s PHE 94 CO 0.10 -3.44 -0.06 0.34 -1.46 0.00 0.00 175.22 170.70 3tgk s ASP 95 N 0.76 4.23 0.36 6.13 -1.08 -0.81 -4.99 116.67 121.28 3tgk s ASP 95 Ca 0.66 -0.74 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 3tgk s ASP 95 Cb -0.46 -1.67 1.22 0.00 -1.46 0.00 0.00 42.92 40.55 3tgk s ASP 95 CO 0.39 -0.09 1.81 0.03 0.52 0.00 0.00 175.17 177.83 3tgk h ARG 96 N 8.04 0.00 0.02 4.34 3.08 -1.94 0.21 114.38 128.13 3tgk h ARG 96 Ca -0.36 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.33 3tgk h ARG 96 Cb 1.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 3tgk h ARG 96 CO 0.59 0.00 -2.02 1.63 -1.07 0.00 0.00 179.97 179.10 3tgk n LYS 97 N -2.48 0.62 0.08 0.04 5.02 -1.26 -4.53 118.16 115.65 3tgk n LYS 97 Ca 0.01 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 3tgk n LYS 97 Cb 0.19 -1.62 0.05 0.00 -0.02 0.00 0.00 35.03 33.63 3tgk n LYS 97 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3tgk n THR 98 N -4.02 0.45 -1.31 -0.18 -2.24 -1.22 -4.96 114.28 100.80 3tgk n THR 98 Ca -0.42 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 60.84 3tgk n THR 98 Cb 0.86 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 3tgk n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3tgk n LEU 99 N -2.37 -0.69 -4.75 3.22 4.77 0.74 -4.98 117.00 112.93 3tgk n LEU 99 Ca 0.01 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 3tgk n LEU 99 Cb 0.50 -1.89 -0.03 0.00 -2.33 0.00 0.00 43.42 39.67 3tgk n LEU 99 CO 0.39 -0.65 0.92 0.21 -1.33 0.00 0.00 177.39 176.94 3tgk s ASN 100 N -2.74 6.97 -1.08 -1.43 2.47 -1.24 -3.03 114.94 114.85 3tgk s ASN 100 Ca 0.00 2.43 -0.06 0.00 0.42 0.00 0.00 52.86 55.65 3tgk s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.45 0.00 0.00 41.25 37.18 3tgk s ASN 100 CO 0.00 -0.42 0.94 0.59 -3.72 0.00 0.00 177.10 174.49 3tgk n ASN 101 N 1.77 -5.12 -4.44 -4.21 5.03 -1.26 -1.92 115.26 105.11 3tgk n ASN 101 Ca 0.02 -0.44 -0.42 0.00 0.87 0.00 0.00 54.58 54.61 3tgk n ASN 101 Cb 0.43 -4.17 -0.00 0.00 -1.02 0.00 0.00 39.78 35.02 3tgk n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3tgk n ASP 102 N -2.22 4.68 -3.79 6.41 2.03 -1.17 -4.28 116.55 118.22 3tgk n ASP 102 Ca -0.02 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.26 3tgk n ASP 102 Cb 0.56 -1.73 -0.10 0.00 -0.72 0.00 0.00 41.12 39.13 3tgk n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3tgk s ILE 103 N 4.32 0.05 -0.09 5.18 2.07 -1.26 -4.02 121.20 127.45 3tgk s ILE 103 Ca 0.53 -0.38 -0.16 0.00 -1.41 0.00 0.00 60.65 59.23 3tgk s ILE 103 Cb 0.06 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.16 3tgk s ILE 103 CO 0.06 -0.21 0.40 -0.32 -1.91 0.00 0.00 174.94 172.96 3tgk s MET 104 N -0.92 0.62 -0.02 3.50 -2.45 -0.17 -1.32 119.30 118.53 3tgk s MET 104 Ca -0.10 0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.61 3tgk s MET 104 Cb -0.05 0.29 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 3tgk s MET 104 CO 0.03 -0.14 -0.08 -0.51 1.05 0.00 0.00 175.02 175.38 3tgk s LEU 105 N -0.54 3.13 -0.10 4.11 1.43 0.48 -0.93 118.68 126.26 3tgk s LEU 105 Ca -0.07 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3tgk s LEU 105 Cb -0.04 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3tgk s LEU 105 CO 0.03 0.31 -0.13 -0.63 0.23 0.00 0.00 176.35 176.16 3tgk s ILE 106 N -0.93 1.32 -0.18 -0.59 1.01 0.13 -0.23 121.20 121.73 3tgk s ILE 106 Ca 0.15 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3tgk s ILE 106 Cb -0.11 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3tgk s ILE 106 CO 0.05 0.41 0.15 -0.75 0.00 0.00 0.00 174.94 174.80 3tgk s LYS 107 N 1.04 4.05 0.49 2.79 2.20 0.25 -0.47 119.74 130.09 3tgk s LYS 107 Ca -0.06 -0.17 -0.17 0.00 -0.36 0.00 0.00 55.97 55.21 3tgk s LYS 107 Cb -0.15 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 3tgk s LYS 107 CO -0.02 0.39 0.96 -0.51 -0.36 0.00 0.00 175.35 175.82 3tgk s LEU 108 N 0.08 3.69 0.31 5.43 1.43 0.56 0.14 118.68 130.32 3tgk s LEU 108 Ca 0.10 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 3tgk s LEU 108 Cb -0.11 -4.48 0.60 0.00 0.03 0.00 0.00 46.19 42.23 3tgk s LEU 108 CO -0.00 -0.53 1.89 0.28 0.23 0.00 0.00 176.35 178.22 3tgk h SER 109 N 1.11 0.85 -5.09 2.29 0.02 -1.16 -3.41 113.55 108.15 3tgk h SER 109 Ca -0.47 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 3tgk h SER 109 Cb 1.18 -0.16 -0.15 0.00 0.14 0.00 0.00 62.40 63.42 3tgk h SER 109 CO 0.62 0.51 -0.26 -0.94 -1.14 0.00 0.00 176.83 175.61 3tgk s SER 110 N -5.92 -0.06 0.56 3.07 1.04 -1.26 -4.99 113.70 106.14 3tgk s SER 110 Ca -0.11 -0.37 -0.21 0.00 0.48 0.00 0.00 55.95 55.74 3tgk s SER 110 Cb 0.21 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 3tgk s SER 110 CO 0.80 -0.69 1.30 -2.84 0.98 0.00 0.00 173.24 172.78 3tgk s PRO 111 N -3.21 3.10 0.50 4.02 0.02 -1.26 -4.86 135.00 133.31 3tgk s PRO 111 Ca -0.00 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3tgk s PRO 111 Cb 0.01 -2.15 0.01 0.00 0.02 0.00 0.00 34.50 32.40 3tgk s PRO 111 CO -0.07 -1.18 0.73 0.14 -0.33 0.00 0.00 177.00 176.29 3tgk s VAL 112 N -1.40 3.40 -0.33 3.83 -7.23 -0.35 -5.02 120.40 113.30 3tgk s VAL 112 Ca 0.73 -0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 60.18 3tgk s VAL 112 Cb -0.37 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 3tgk s VAL 112 CO 0.42 -0.19 0.51 -0.54 -0.31 0.00 0.00 175.10 174.98 3tgk s LYS 113 N -4.67 3.72 0.03 4.82 1.02 -1.26 -4.94 119.74 118.46 3tgk s LYS 113 Ca 0.52 -0.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.16 3tgk s LYS 113 Cb -0.10 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 3tgk s LYS 113 CO 0.38 -0.58 0.91 -0.51 -0.92 0.00 0.00 175.35 174.63 3tgk s LEU 114 N 2.37 4.42 0.00 3.17 1.43 -1.26 -4.77 118.68 124.03 3tgk s LEU 114 Ca 0.19 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 3tgk s LEU 114 Cb -0.15 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3tgk s LEU 114 CO 0.12 -0.14 0.00 -0.46 0.23 0.00 0.00 176.35 176.11 3tgk n ASN 115 N 3.37 0.00 0.24 2.29 0.23 0.38 -4.97 115.26 116.80 3tgk n ASN 115 Ca 0.03 -0.53 0.09 0.00 -0.53 0.00 0.00 54.58 53.64 3tgk n ASN 115 Cb 0.50 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.82 3tgk n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3tgk h ALA 116 N 1.54 1.52 0.00 -2.53 0.00 -2.00 -2.89 119.26 114.90 3tgk h ALA 116 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3tgk h ALA 116 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3tgk h ALA 116 CO 0.00 0.19 -1.02 0.54 0.00 0.00 0.00 179.25 178.96 3tgk n ARG 117 N -4.02 0.03 -3.72 0.00 1.74 -1.26 -4.80 116.66 104.63 3tgk n ARG 117 Ca -0.02 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 3tgk n ARG 117 Cb 0.24 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.01 3tgk n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3tgk s VAL 118 N -3.02 0.58 0.20 1.55 1.01 -1.09 -4.16 120.40 115.47 3tgk s VAL 118 Ca 0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3tgk s VAL 118 Cb 0.16 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3tgk s VAL 118 CO 0.86 -0.35 0.21 0.00 0.00 0.00 0.00 175.10 175.82 3tgk s ALA 119 N 1.81 0.75 0.38 5.51 0.00 -0.93 -0.47 121.76 128.81 3tgk s ALA 119 Ca 0.02 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.56 3tgk s ALA 119 Cb -0.17 1.23 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 3tgk s ALA 119 CO -0.14 -0.64 0.57 0.95 0.00 0.00 0.00 175.76 176.50 3tgk s THR 120 N -4.10 4.40 0.03 0.00 -4.23 -1.26 -3.20 115.64 107.27 3tgk s THR 120 Ca 0.32 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 60.29 3tgk s THR 120 Cb 0.05 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 3tgk s THR 120 CO 0.09 -0.35 -0.26 0.54 -0.54 0.00 0.00 174.62 174.10 3tgk s VAL 121 N -2.37 2.13 0.41 2.29 0.11 -0.45 -4.83 120.40 117.69 3tgk s VAL 121 Ca 0.44 -1.33 -0.24 0.00 -2.93 0.00 0.00 61.98 57.92 3tgk s VAL 121 Cb -0.10 -1.81 -0.09 0.00 -1.53 0.00 0.00 36.38 32.86 3tgk s VAL 121 CO 0.35 0.41 1.09 0.00 -3.33 0.00 0.00 175.10 173.63 3tgk s ALA 122 N -0.77 3.08 0.51 1.54 0.00 -1.25 -4.59 121.76 120.29 3tgk s ALA 122 Ca 0.11 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 3tgk s ALA 122 Cb -0.10 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3tgk s ALA 122 CO 0.01 -0.35 0.96 -0.51 0.00 0.00 0.00 175.76 175.87 3tgk s LEU 123 N -2.65 3.62 0.42 0.00 1.43 -1.26 -0.90 118.68 119.33 3tgk s LEU 123 Ca 0.58 1.49 -0.26 0.00 -1.03 0.00 0.00 54.13 54.92 3tgk s LEU 123 Cb -0.25 -4.44 -0.09 0.00 0.03 0.00 0.00 46.19 41.44 3tgk s LEU 123 CO 0.31 -0.59 1.39 -2.16 0.23 0.00 0.00 176.35 175.54 3tgk s PRO 124 N -4.14 3.87 0.22 1.29 0.04 -1.25 -4.72 135.00 130.31 3tgk s PRO 124 Ca 0.57 2.36 0.23 0.00 0.04 0.00 0.00 61.00 64.21 3tgk s PRO 124 Cb -0.10 -2.76 0.25 0.00 0.04 0.00 0.00 34.50 31.93 3tgk s PRO 124 CO 0.33 -0.64 1.31 0.66 0.04 0.00 0.00 177.00 178.70 3tgk h SER 125 N 2.59 0.00 -5.60 6.66 4.64 -1.95 -3.48 113.55 116.41 3tgk h SER 125 Ca -0.50 -0.07 0.25 0.00 -0.47 0.00 0.00 61.79 60.99 3tgk h SER 125 Cb 1.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 3tgk h SER 125 CO 0.62 0.04 0.71 -0.94 -0.87 0.00 0.00 176.83 176.39 3tgk s SER 127 N -5.05 -0.03 -0.11 4.97 1.04 -1.26 -5.14 113.70 108.12 3tgk s SER 127 Ca 0.04 -0.41 -0.28 0.00 0.48 0.00 0.00 55.95 55.78 3tgk s SER 127 Cb 0.10 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3tgk s SER 127 CO 0.73 -0.65 0.95 0.00 0.98 0.00 0.00 173.24 175.25 3tgk s ALA 129 N 1.93 3.53 0.62 0.00 0.00 -1.26 -5.00 121.76 121.58 3tgk s ALA 129 Ca 0.46 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 3tgk s ALA 129 Cb -0.18 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 3tgk s ALA 129 CO 0.17 -0.55 1.08 -1.25 0.00 0.00 0.00 175.76 175.22 3tgk s PRO 130 N -0.26 3.07 0.48 0.00 0.04 -1.26 -4.96 135.00 132.11 3tgk s PRO 130 Ca 0.56 1.30 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 3tgk s PRO 130 Cb -0.37 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 3tgk s PRO 130 CO 0.39 -1.03 1.22 0.00 0.04 0.00 0.00 177.00 177.63 3tgk n ALA 132 N -2.21 1.09 0.00 8.56 0.00 -1.26 -2.26 120.51 124.43 3tgk n ALA 132 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3tgk n ALA 132 Cb 0.52 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3tgk n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3tgk n GLY 133 N 0.91 1.68 3.71 0.00 0.00 0.45 -4.97 105.19 106.98 3tgk n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3tgk n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3tgk s THR 134 N -2.41 3.29 0.08 2.61 2.01 -0.96 -4.71 115.64 115.56 3tgk s THR 134 Ca 0.00 0.92 -0.30 0.00 0.31 0.00 0.00 61.69 62.62 3tgk s THR 134 Cb 0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3tgk s THR 134 CO 0.00 0.07 0.98 -1.58 -0.69 0.00 0.00 174.62 173.40 3tgk s GLN 135 N 1.14 4.65 0.30 4.92 2.00 -1.26 -1.46 119.66 129.95 3tgk s GLN 135 Ca 0.65 1.47 0.03 0.00 -2.00 0.00 0.00 55.36 55.51 3tgk s GLN 135 Cb -0.37 -3.39 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 3tgk s GLN 135 CO 0.30 0.12 0.05 0.00 -0.50 0.00 0.00 175.29 175.26 3tgk s LEU 137 N -3.44 2.31 -0.10 0.00 2.96 0.53 -1.13 118.68 119.82 3tgk s LEU 137 Ca 0.36 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3tgk s LEU 137 Cb 0.08 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3tgk s LEU 137 CO 0.14 0.01 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.50 3tgk s ILE 138 N 1.25 3.85 0.06 6.68 1.01 -0.14 -1.25 121.20 132.66 3tgk s ILE 138 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 3tgk s ILE 138 Cb -0.14 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3tgk s ILE 138 CO -0.09 0.57 -0.04 -0.94 0.00 0.00 0.00 174.94 174.44 3tgk s SER 139 N -0.45 0.60 0.00 3.58 1.04 -1.19 -1.04 113.70 116.24 3tgk s SER 139 Ca 0.07 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3tgk s SER 139 Cb -0.12 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3tgk s SER 139 CO 0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3tgk n GLY 140 N 0.20 1.36 3.78 7.32 0.00 -0.63 -4.39 105.19 112.83 3tgk n GLY 140 Ca -0.14 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3tgk n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3tgk s TRP 141 N -2.00 3.26 0.00 1.61 0.51 -1.26 -0.64 118.94 120.42 3tgk s TRP 141 Ca 0.00 0.16 0.00 0.00 -2.12 0.00 0.00 56.10 54.14 3tgk s TRP 141 Cb 0.00 -1.70 0.00 0.00 -0.81 0.00 0.00 33.47 30.96 3tgk s TRP 141 CO 0.00 0.54 0.00 0.41 -0.51 0.00 0.00 176.95 177.39 3tgk n GLY 142 N 0.95 2.50 3.44 0.98 0.00 -1.26 -3.12 105.19 108.68 3tgk n GLY 142 Ca -0.11 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3tgk n GLY 142 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3tgk s ASN 143 N -0.64 5.79 -0.01 1.61 3.04 -1.13 -4.62 114.94 118.99 3tgk s ASN 143 Ca 0.00 -0.69 0.13 0.00 0.04 0.00 0.00 52.86 52.35 3tgk s ASN 143 Cb 0.00 -2.06 -0.17 0.00 -1.54 0.00 0.00 41.25 37.48 3tgk s ASN 143 CO 0.00 -0.29 0.45 0.55 -3.04 0.00 0.00 177.10 174.77 3tgk n VAL 149 N 5.04 0.00 0.86 -5.21 3.14 -1.26 -5.14 118.33 115.76 3tgk n VAL 149 Ca -0.13 -0.24 0.09 0.00 -2.96 0.00 0.00 64.34 61.11 3tgk n VAL 149 Cb 0.48 0.67 -0.04 0.00 -1.06 0.00 0.00 33.84 33.89 3tgk n VAL 149 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3tgk n ASN 150 N -1.58 1.48 -4.79 6.55 6.94 -1.26 -4.86 115.26 117.74 3tgk n ASN 150 Ca 0.00 -1.24 -0.36 0.00 -0.02 0.00 0.00 54.58 52.97 3tgk n ASN 150 Cb 0.27 0.67 -0.05 0.00 -2.36 0.00 0.00 39.78 38.31 3tgk n ASN 150 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3tgk s GLU 151 N -2.40 4.26 0.19 -3.83 0.41 -1.26 -4.99 118.70 111.09 3tgk s GLU 151 Ca 0.13 1.41 -0.31 0.00 -0.41 0.00 0.00 54.97 55.79 3tgk s GLU 151 Cb 0.15 -2.54 -0.09 0.00 -1.78 0.00 0.00 34.13 29.87 3tgk s GLU 151 CO 0.59 -0.03 1.41 -1.25 -0.49 0.00 0.00 175.26 175.49 3tgk s PRO 152 N -2.51 4.30 -0.46 0.39 0.04 -1.26 -4.74 135.00 130.76 3tgk s PRO 152 Ca 0.57 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.83 3tgk s PRO 152 Cb -0.19 -3.17 0.13 0.00 0.04 0.00 0.00 34.50 31.30 3tgk s PRO 152 CO 0.24 -0.41 0.22 0.34 0.04 0.00 0.00 177.00 177.43 3tgk s ASP 153 N 0.66 4.13 0.04 6.66 -1.08 -1.26 -5.04 116.67 120.78 3tgk s ASP 153 Ca 0.62 -2.70 -0.03 0.00 -0.52 0.00 0.00 52.55 49.91 3tgk s ASP 153 Cb -0.39 -1.39 -0.05 0.00 -1.46 0.00 0.00 42.92 39.63 3tgk s ASP 153 CO 0.37 -0.27 0.25 -0.76 0.52 0.00 0.00 175.17 175.28 3tgk s LEU 154 N 0.17 4.35 0.20 -1.34 1.43 -1.26 -1.65 118.68 120.58 3tgk s LEU 154 Ca 0.16 0.43 -0.32 0.00 -1.03 0.00 0.00 54.13 53.37 3tgk s LEU 154 Cb -0.24 -2.86 -0.12 0.00 0.03 0.00 0.00 46.19 43.00 3tgk s LEU 154 CO -0.02 0.19 1.74 -0.22 0.23 0.00 0.00 176.35 178.27 3tgk s LEU 155 N -2.18 4.37 0.07 1.79 2.96 -0.98 -4.78 118.68 119.93 3tgk s LEU 155 Ca 0.32 2.86 0.02 0.00 -0.22 0.00 0.00 54.13 57.11 3tgk s LEU 155 Cb -0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3tgk s LEU 155 CO 0.22 -0.98 0.10 -1.10 -1.32 0.00 0.00 176.35 173.27 3tgk s GLN 156 N 1.39 3.01 0.12 1.98 -1.52 0.19 -0.97 119.66 123.86 3tgk s GLN 156 Ca 0.76 -0.62 0.07 0.00 -1.95 0.00 0.00 55.36 53.61 3tgk s GLN 156 Cb -0.49 -2.80 -0.04 0.00 -0.22 0.00 0.00 33.01 29.46 3tgk s GLN 156 CO 0.33 0.58 -0.16 0.00 -0.25 0.00 0.00 175.29 175.79 3tgk s LEU 158 N -2.37 -0.23 -0.27 0.00 2.96 -0.20 -0.82 118.68 117.76 3tgk s LEU 158 Ca 0.09 0.91 -0.15 0.00 -0.22 0.00 0.00 54.13 54.76 3tgk s LEU 158 Cb -0.06 1.34 -0.04 0.00 0.50 0.00 0.00 46.19 47.93 3tgk s LEU 158 CO 0.04 -0.20 0.37 -1.81 -1.32 0.00 0.00 176.35 173.42 3tgk s ASP 159 N 1.70 6.25 -0.02 3.68 1.01 -1.26 -0.96 116.67 127.07 3tgk s ASP 159 Ca -0.08 0.29 -0.19 0.00 0.71 0.00 0.00 52.55 53.29 3tgk s ASP 159 Cb -0.09 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.66 3tgk s ASP 159 CO -0.13 -0.17 0.40 0.00 0.21 0.00 0.00 175.17 175.48 3tgk s ALA 160 N 2.02 -1.02 0.31 5.23 0.00 -0.28 -4.95 121.76 123.06 3tgk s ALA 160 Ca 0.15 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 3tgk s ALA 160 Cb -0.16 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 3tgk s ALA 160 CO 0.10 -0.30 0.60 -1.25 0.00 0.00 0.00 175.76 174.91 3tgk s PRO 161 N -1.36 3.68 0.19 0.00 0.04 -1.26 -0.13 135.00 136.16 3tgk s PRO 161 Ca -0.13 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 3tgk s PRO 161 Cb -0.04 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 3tgk s PRO 161 CO 0.05 0.17 1.16 -0.51 0.04 0.00 0.00 177.00 177.91 3tgk s LEU 162 N -3.55 4.47 0.23 -3.56 1.43 -0.53 -1.94 118.68 115.23 3tgk s LEU 162 Ca 0.46 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.77 3tgk s LEU 162 Cb -0.11 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3tgk s LEU 162 CO 0.29 -0.31 0.40 -0.76 0.23 0.00 0.00 176.35 176.21 3tgk s LEU 163 N -0.42 4.22 0.52 1.79 1.43 -0.03 -0.41 118.68 125.78 3tgk s LEU 163 Ca 0.51 0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.69 3tgk s LEU 163 Cb -0.32 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3tgk s LEU 163 CO 0.37 -0.09 1.25 -2.84 0.23 0.00 0.00 176.35 175.27 3tgk s PRO 164 N -3.67 3.37 0.27 1.29 0.02 -1.26 -4.60 135.00 130.42 3tgk s PRO 164 Ca 0.37 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3tgk s PRO 164 Cb -0.10 -2.26 0.53 0.00 0.02 0.00 0.00 34.50 32.69 3tgk s PRO 164 CO 0.30 -0.92 1.81 1.96 -0.33 0.00 0.00 177.00 179.82 3tgk h GLN 165 N 1.61 0.82 -0.70 5.54 1.08 -1.97 -1.83 115.11 119.66 3tgk h GLN 165 Ca -0.50 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 56.67 3tgk h GLN 165 Cb 1.28 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 28.48 3tgk h GLN 165 CO 0.58 0.55 0.46 0.00 -0.95 0.00 0.00 178.83 179.47 3tgk h ALA 166 N 1.53 1.56 -0.18 3.87 0.00 -1.99 0.24 119.26 124.30 3tgk h ALA 166 Ca 0.48 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.16 3tgk h ALA 166 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3tgk h ALA 166 CO -0.29 0.38 -0.66 -0.44 0.00 0.00 0.00 179.25 178.24 3tgk h ASP 167 N 0.88 0.80 -0.05 0.00 3.32 -1.72 -0.93 116.42 118.71 3tgk h ASP 167 Ca 0.27 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3tgk h ASP 167 Cb 0.00 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3tgk h ASP 167 CO -0.07 1.24 0.02 0.00 -1.72 0.00 0.00 179.24 178.72 3tgk h GLU 169 N -0.06 1.23 0.00 0.00 5.08 -0.52 -1.77 114.58 118.54 3tgk h GLU 169 Ca 0.02 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3tgk h GLU 169 Cb 0.15 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3tgk h GLU 169 CO -0.00 0.89 -0.27 0.00 -1.00 0.00 0.00 179.01 178.63 3tgk h ALA 170 N 1.27 1.35 0.01 3.43 0.00 -0.99 -2.44 119.26 121.90 3tgk h ALA 170 Ca 0.32 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3tgk h ALA 170 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3tgk h ALA 170 CO -0.05 0.34 -1.13 0.77 0.00 0.00 0.00 179.25 179.17 3tgk h SER 171 N 0.00 0.04 -2.24 0.00 0.02 -0.77 -3.38 113.55 107.21 3tgk h SER 171 Ca -0.00 -0.04 -0.59 0.00 -0.84 0.00 0.00 61.79 60.32 3tgk h SER 171 Cb 0.54 -0.01 -0.41 0.00 0.14 0.00 0.00 62.40 62.67 3tgk h SER 171 CO 0.03 1.04 -0.81 -1.22 -1.14 0.00 0.00 176.83 174.73 3tgk n TYR 172 N -3.32 1.77 -1.68 3.45 4.01 -0.72 -4.81 117.16 115.86 3tgk n TYR 172 Ca -0.03 -3.89 -0.52 0.00 -0.16 0.00 0.00 57.90 53.30 3tgk n TYR 172 Cb 0.96 -0.42 -0.06 0.00 -0.31 0.00 0.00 39.34 39.52 3tgk n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3tgk n PRO 173 N 1.35 1.60 -0.90 -0.72 -0.02 -0.94 -1.69 135.00 133.68 3tgk n PRO 173 Ca 0.26 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3tgk n PRO 173 Cb 0.45 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3tgk n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3tgk n GLY 174 N 3.87 0.38 0.04 -1.23 0.00 -1.26 -4.86 105.19 102.13 3tgk n GLY 174 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 3tgk n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3tgk n LYS 175 N -1.49 3.54 -3.52 1.61 4.76 -0.68 -4.99 118.16 117.38 3tgk n LYS 175 Ca 0.00 -0.11 -0.38 0.00 -2.87 0.00 0.00 58.31 54.96 3tgk n LYS 175 Cb 0.13 -0.97 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 3tgk n LYS 175 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3tgk s ILE 176 N -1.81 5.27 0.49 -0.18 -1.09 -1.25 -5.04 121.20 117.60 3tgk s ILE 176 Ca 0.04 0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 3tgk s ILE 176 Cb 0.07 -3.61 0.03 0.00 -1.58 0.00 0.00 42.46 37.38 3tgk s ILE 176 CO 0.37 0.28 0.59 0.42 -1.23 0.00 0.00 174.94 175.36 3tgk s THR 177 N 1.36 2.46 -0.94 2.92 -4.23 -1.26 -4.99 115.64 110.95 3tgk s THR 177 Ca 0.13 -1.13 0.12 0.00 -1.18 0.00 0.00 61.69 59.62 3tgk s THR 177 Cb -0.14 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 71.21 3tgk s THR 177 CO 0.07 0.00 1.39 -0.67 -0.54 0.00 0.00 174.62 174.87 3tgk n ASP 178 N -1.92 0.06 -1.37 3.99 2.03 -1.26 -2.05 116.55 116.05 3tgk n ASP 178 Ca 0.09 0.52 0.09 0.00 0.52 0.00 0.00 54.79 56.01 3tgk n ASP 178 Cb 0.61 -0.53 0.31 0.00 -0.72 0.00 0.00 41.12 40.79 3tgk n ASP 178 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3tgk n ASN 179 N -1.57 4.01 -4.31 1.67 3.02 -1.26 -4.91 115.26 111.90 3tgk n ASN 179 Ca 0.03 -2.24 -0.20 0.00 -0.03 0.00 0.00 54.58 52.14 3tgk n ASN 179 Cb 0.13 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 3tgk n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3tgk s MET 180 N -1.53 1.21 -0.06 3.52 -1.94 -0.87 -0.83 119.30 118.80 3tgk s MET 180 Ca 0.45 -1.38 -0.09 0.00 -1.71 0.00 0.00 55.69 52.97 3tgk s MET 180 Cb 0.27 -1.18 0.02 0.00 2.01 0.00 0.00 34.83 35.94 3tgk s MET 180 CO 0.25 0.23 0.22 0.54 -0.01 0.00 0.00 175.02 176.25 3tgk s VAL 181 N -2.19 0.03 -0.00 -6.03 0.11 -0.26 -4.78 120.40 107.28 3tgk s VAL 181 Ca 0.15 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.87 3tgk s VAL 181 Cb -0.05 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3tgk s VAL 181 CO 0.06 -0.12 0.33 0.00 -3.33 0.00 0.00 175.10 172.04 3tgk s VAL 183 N -1.18 0.15 -1.00 0.00 1.01 -0.87 -0.85 120.40 117.66 3tgk s VAL 183 Ca 0.25 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3tgk s VAL 183 Cb -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3tgk s VAL 183 CO 0.13 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3tgk n GLY 184 N 4.22 0.42 2.94 4.51 0.00 -0.82 -3.53 105.19 112.93 3tgk n GLY 184 Ca -0.25 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 3tgk n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3tgk s PHE 184 N -4.00 0.80 0.15 1.61 0.40 -1.26 -4.36 117.98 111.31 3tgk s PHE 184 Ca 0.00 -0.21 0.34 0.00 -0.60 0.00 0.00 56.93 56.46 3tgk s PHE 184 Cb 0.00 -0.64 1.61 0.00 0.51 0.00 0.00 43.02 44.50 3tgk s PHE 184 CO 0.00 -0.15 2.03 -0.07 0.70 0.00 0.00 175.22 177.73 3tgk h LEU 185 N 6.81 0.00 -1.03 -0.37 3.38 -1.97 -1.40 115.31 120.73 3tgk h LEU 185 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3tgk h LEU 185 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3tgk h LEU 185 CO 0.48 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 177.17 3tgk n GLU 186 N -2.87 1.69 0.00 1.13 0.00 -1.26 0.49 120.64 119.83 3tgk n GLU 186 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 57.16 56.13 3tgk n GLU 186 Cb 0.20 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.20 3tgk n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3tgk n GLY 187 N 1.15 0.16 0.74 -1.84 0.00 -0.53 -4.27 105.19 100.59 3tgk n GLY 187 Ca 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3tgk n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tgk n GLY 188 N 0.00 2.74 2.94 -0.02 0.00 -0.08 -4.83 105.19 105.93 3tgk n GLY 188 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 3tgk n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3tgk s LYS 188 N 0.00 1.07 0.04 1.61 1.02 -1.26 -3.93 119.74 118.29 3tgk s LYS 188 Ca 0.00 -0.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.51 3tgk s LYS 188 Cb 0.00 -0.99 0.10 0.00 -0.52 0.00 0.00 37.83 36.42 3tgk s LYS 188 CO 0.00 -0.04 1.09 0.34 -0.92 0.00 0.00 175.35 175.82 3tgk s ASP 189 N 0.78 -0.15 0.41 2.83 -1.08 -0.86 -4.45 116.67 114.15 3tgk s ASP 189 Ca -0.12 -0.23 -0.04 0.00 -0.52 0.00 0.00 52.55 51.64 3tgk s ASP 189 Cb -0.14 0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 41.60 3tgk s ASP 189 CO 0.01 -0.60 0.68 -0.94 0.52 0.00 0.00 175.17 174.85 3tgk s SER 190 N -2.84 6.33 0.07 -0.34 1.04 -1.26 -4.57 113.70 112.12 3tgk s SER 190 Ca 0.12 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3tgk s SER 190 Cb 0.01 -2.18 -0.00 0.00 0.10 0.00 0.00 66.02 63.95 3tgk s SER 190 CO -0.02 -0.42 0.08 0.00 0.98 0.00 0.00 173.24 173.86 3tgk n GLN 192 N -0.11 1.89 0.00 0.00 3.00 -1.26 -1.21 117.38 119.68 3tgk n GLN 192 Ca 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 3tgk n GLN 192 Cb 0.11 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 27.97 3tgk n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3tgk n GLY 193 N 2.86 2.30 0.16 1.08 0.00 -1.26 -2.85 105.19 107.49 3tgk n GLY 193 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3tgk n GLY 193 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3tgk h ASN 194 N 0.49 0.00 -1.54 1.61 -0.26 -1.10 -3.35 115.58 111.43 3tgk h ASN 194 Ca 0.00 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 55.08 3tgk h ASN 194 Cb 0.00 0.00 0.10 0.00 -1.06 0.00 0.00 38.32 37.36 3tgk h ASN 194 CO 0.00 0.30 -0.16 -1.20 -1.06 0.00 0.00 177.43 175.31 3tgk n SER 195 N -3.13 -0.02 0.00 5.81 7.64 -1.26 -1.64 113.62 121.02 3tgk n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3tgk n SER 195 Cb 0.66 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3tgk n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3tgk n GLY 196 N 1.75 2.67 3.69 0.23 0.00 0.14 0.38 105.19 114.04 3tgk n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3tgk n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3tgk s GLY 197 N -1.80 1.56 0.36 -0.02 0.00 -0.65 -3.27 107.32 103.49 3tgk s GLY 197 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 44.72 44.08 3tgk s GLY 197 CO 0.00 0.19 0.88 2.56 0.00 0.00 0.00 173.10 176.73 3tgk s PRO 198 N -5.03 4.26 -0.30 2.90 0.04 -1.26 -1.39 135.00 134.23 3tgk s PRO 198 Ca 0.65 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.74 3tgk s PRO 198 Cb -0.18 -2.45 0.09 0.00 0.04 0.00 0.00 34.50 32.00 3tgk s PRO 198 CO 0.57 0.13 0.05 0.08 0.04 0.00 0.00 177.00 177.86 3tgk s VAL 199 N -1.94 1.42 -0.19 -0.36 1.01 -0.54 -3.19 120.40 116.61 3tgk s VAL 199 Ca 0.56 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 3tgk s VAL 199 Cb -0.12 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3tgk s VAL 199 CO 0.17 -0.51 0.03 -0.69 0.00 0.00 0.00 175.10 174.10 3tgk s VAL 200 N 1.37 4.33 -0.12 2.92 1.01 -0.38 -0.91 120.40 128.61 3tgk s VAL 200 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3tgk s VAL 200 Cb -0.18 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.27 3tgk s VAL 200 CO -0.15 0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.32 3tgk n ASN 202 N 4.94 -4.87 0.00 0.00 3.02 -1.26 -2.32 115.26 114.77 3tgk n ASN 202 Ca -0.12 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 3tgk n ASN 202 Cb 0.50 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 3tgk n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3tgk n GLY 203 N -1.74 0.45 3.25 7.41 0.00 -1.26 -5.01 105.19 108.28 3tgk n GLY 203 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3tgk n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tgk s GLU 204 N -0.49 1.83 -0.50 1.61 2.02 -0.98 -3.84 118.70 118.34 3tgk s GLU 204 Ca 0.00 -0.81 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 3tgk s GLU 204 Cb 0.00 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.47 3tgk s GLU 204 CO 0.00 0.48 1.49 -1.17 0.02 0.00 0.00 175.26 176.08 3tgk s LEU 209 N -0.54 3.46 -0.02 1.80 2.96 -0.08 -1.17 118.68 125.09 3tgk s LEU 209 Ca 0.09 0.56 0.17 0.00 -0.22 0.00 0.00 54.13 54.72 3tgk s LEU 209 Cb -0.09 -3.21 -0.24 0.00 0.50 0.00 0.00 46.19 43.16 3tgk s LEU 209 CO -0.01 -1.68 0.45 0.00 -1.32 0.00 0.00 176.35 173.80 3tgk n GLN 210 N 8.50 0.82 -3.80 1.98 1.13 -0.09 -3.85 117.38 122.06 3tgk n GLN 210 Ca 0.15 -0.11 -0.09 0.00 -1.94 0.00 0.00 57.00 55.01 3tgk n GLN 210 Cb 0.49 -1.36 -0.06 0.00 0.11 0.00 0.00 30.24 29.42 3tgk n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3tgk s GLY 211 N -3.54 0.04 -0.08 1.08 0.00 -0.95 -1.95 107.32 101.92 3tgk s GLY 211 Ca -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.23 3tgk s GLY 211 CO 0.69 -0.64 -0.15 -0.42 0.00 0.00 0.00 173.10 172.58 3tgk s ILE 212 N -3.86 1.36 0.05 0.90 1.01 -0.97 -1.47 121.20 118.22 3tgk s ILE 212 Ca 0.07 -0.60 -0.32 0.00 0.00 0.00 0.00 60.65 59.80 3tgk s ILE 212 Cb 0.03 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 41.17 3tgk s ILE 212 CO -0.09 0.41 1.84 0.52 0.00 0.00 0.00 174.94 177.62 3tgk n VAL 213 N 3.85 0.46 0.00 2.92 0.31 -0.48 -1.34 118.33 124.04 3tgk n VAL 213 Ca -0.21 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3tgk n VAL 213 Cb 0.52 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3tgk n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3tgk n SER 214 N 6.00 0.00 -2.99 4.52 2.88 -1.14 -0.69 113.62 122.20 3tgk n SER 214 Ca 0.20 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.60 3tgk n SER 214 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 3tgk n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3tgk n TRP 215 N -2.09 -1.58 0.00 0.66 4.27 -0.96 -4.90 117.44 112.85 3tgk n TRP 215 Ca 0.00 -2.31 0.00 0.00 -3.89 0.00 0.00 57.50 51.30 3tgk n TRP 215 Cb 0.00 0.60 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 3tgk n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3tgk n GLY 216 N -0.58 1.22 3.47 -1.67 0.00 -1.26 -0.11 105.19 106.25 3tgk n GLY 216 Ca -0.01 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 3tgk n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3tgk s TYR 217 N -2.00 2.96 0.00 1.61 2.02 -1.26 -4.87 117.35 115.80 3tgk s TYR 217 Ca 0.00 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 3tgk s TYR 217 Cb 0.00 -3.73 0.00 0.00 -0.40 0.00 0.00 41.96 37.83 3tgk s TYR 217 CO 0.00 -1.15 0.00 0.41 -1.57 0.00 0.00 175.55 173.24 3tgk n GLY 219 N 5.16 -0.67 2.78 0.71 0.00 -1.26 -4.70 105.19 107.21 3tgk n GLY 219 Ca -0.04 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 3tgk n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tgk n ALA 221 N 4.13 -0.34 -2.13 0.00 0.00 -1.26 -4.75 120.51 116.16 3tgk n ALA 221 Ca -0.27 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 3tgk n ALA 221 Cb 0.51 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 3tgk n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3tgk s LEU 221 N -4.20 4.56 0.55 0.00 1.43 -1.26 -0.91 118.68 118.86 3tgk s LEU 221 Ca 0.00 1.50 -0.21 0.00 -1.03 0.00 0.00 54.13 54.39 3tgk s LEU 221 Cb 0.00 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 3tgk s LEU 221 CO 0.00 0.21 1.28 -2.16 0.23 0.00 0.00 176.35 175.90 3tgk s PRO 222 N -0.99 3.14 -0.64 1.29 0.04 -1.26 -2.27 135.00 134.31 3tgk s PRO 222 Ca 0.34 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3tgk s PRO 222 Cb -0.22 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3tgk s PRO 222 CO 0.23 -1.13 0.00 -3.47 0.04 0.00 0.00 177.00 172.68 3tgk n ASP 223 N -1.18 -4.74 -2.98 6.66 2.03 0.18 -4.89 116.55 111.63 3tgk n ASP 223 Ca 0.11 0.15 -0.16 0.00 0.52 0.00 0.00 54.79 55.42 3tgk n ASP 223 Cb 0.47 -2.77 -0.01 0.00 -0.72 0.00 0.00 41.12 38.08 3tgk n ASP 223 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3tgk n ASN 224 N -0.39 -1.55 -4.81 1.67 3.02 -0.96 -4.64 115.26 107.60 3tgk n ASN 224 Ca -0.06 -2.95 -0.30 0.00 -0.03 0.00 0.00 54.58 51.24 3tgk n ASN 224 Cb 0.37 0.66 0.08 0.00 -0.61 0.00 0.00 39.78 40.28 3tgk n ASN 224 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3tgk s PRO 225 N -0.08 2.19 0.51 3.52 0.04 -1.26 -4.27 135.00 135.66 3tgk s PRO 225 Ca 0.33 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 3tgk s PRO 225 Cb 0.17 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 3tgk s PRO 225 CO -0.17 -1.55 1.26 0.20 0.04 0.00 0.00 177.00 176.78 3tgk s GLY 226 N -3.94 2.83 -0.09 0.56 0.00 -1.23 -4.77 107.32 100.68 3tgk s GLY 226 Ca 0.60 1.13 -0.02 0.00 0.00 0.00 0.00 44.72 46.44 3tgk s GLY 226 CO 0.54 1.62 -0.00 0.14 0.00 0.00 0.00 173.10 175.40 3tgk s VAL 227 N -1.43 4.29 0.06 1.40 1.01 0.84 -2.06 120.40 124.50 3tgk s VAL 227 Ca 0.69 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3tgk s VAL 227 Cb -0.34 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3tgk s VAL 227 CO 0.41 0.60 -0.11 -0.31 0.00 0.00 0.00 175.10 175.68 3tgk s TYR 228 N -0.78 0.97 0.10 5.22 1.51 0.98 -2.26 117.35 123.08 3tgk s TYR 228 Ca 0.12 -0.47 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 3tgk s TYR 228 Cb -0.11 -0.56 -0.07 0.00 -0.11 0.00 0.00 41.96 41.11 3tgk s TYR 228 CO 0.02 -0.01 1.33 0.99 -1.11 0.00 0.00 175.55 176.78 3tgk s THR 229 N -1.29 3.50 -0.86 -0.71 2.01 -0.45 -1.10 115.64 116.73 3tgk s THR 229 Ca -0.05 1.08 -0.24 0.00 0.31 0.00 0.00 61.69 62.79 3tgk s THR 229 Cb -0.10 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.76 3tgk s THR 229 CO 0.01 0.09 1.32 -0.75 -0.69 0.00 0.00 174.62 174.60 3tgk s LYS 230 N 1.04 3.38 0.51 4.92 2.20 -0.01 -2.29 119.74 129.49 3tgk s LYS 230 Ca 0.63 -0.75 0.17 0.00 -0.36 0.00 0.00 55.97 55.66 3tgk s LYS 230 Cb -0.35 -4.72 1.26 0.00 -1.51 0.00 0.00 37.83 32.51 3tgk s LYS 230 CO 0.30 -2.13 2.10 0.28 -0.36 0.00 0.00 175.35 175.55 3tgk h VAL 231 N 6.34 0.94 0.00 4.02 2.07 -1.69 -2.77 116.25 125.16 3tgk h VAL 231 Ca -0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3tgk h VAL 231 Cb 1.03 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3tgk h VAL 231 CO 1.32 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.92 3tgk n ASN 233 N -3.01 0.13 0.00 0.00 3.02 -1.04 -3.98 115.26 110.37 3tgk n ASN 233 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3tgk n ASN 233 Cb 0.10 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3tgk n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3tgk n TYR 234 N -1.31 0.00 -0.22 3.10 4.01 -0.21 -4.80 117.16 117.72 3tgk n TYR 234 Ca 0.11 -0.47 -0.02 0.00 -0.16 0.00 0.00 57.90 57.37 3tgk n TYR 234 Cb 0.29 -0.05 0.10 0.00 -0.31 0.00 0.00 39.34 39.37 3tgk n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3tgk h VAL 235 N 0.01 0.95 -0.56 -0.72 2.07 -1.68 -0.14 116.25 116.18 3tgk h VAL 235 Ca 0.00 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3tgk h VAL 235 Cb 0.47 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3tgk h VAL 235 CO 0.00 0.12 -0.08 0.44 0.02 0.00 0.00 177.57 178.07 3tgk h ASP 236 N 0.65 1.03 -0.59 0.57 3.32 -1.90 -1.00 116.42 118.51 3tgk h ASP 236 Ca 0.29 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3tgk h ASP 236 Cb 0.20 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3tgk h ASP 236 CO -0.19 1.13 0.23 -0.25 -1.72 0.00 0.00 179.24 178.44 3tgk h TRP 237 N 0.93 0.91 0.27 4.55 7.01 -1.78 0.12 115.95 127.96 3tgk h TRP 237 Ca 0.15 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3tgk h TRP 237 Cb 0.65 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 3tgk h TRP 237 CO 0.04 0.74 -0.13 0.82 -2.79 0.00 0.00 178.44 177.12 3tgk h ILE 238 N 0.82 0.75 -0.76 2.65 2.04 -0.75 -0.26 117.51 122.00 3tgk h ILE 238 Ca 0.20 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3tgk h ILE 238 Cb 0.22 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3tgk h ILE 238 CO -0.01 0.02 0.43 1.56 0.00 0.00 0.00 178.15 180.15 3tgk h GLN 239 N -0.41 1.05 -0.64 2.37 4.20 -1.05 -1.14 115.11 119.48 3tgk h GLN 239 Ca -0.04 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 3tgk h GLN 239 Cb 0.31 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3tgk h GLN 239 CO 0.06 0.76 0.10 -0.44 -0.67 0.00 0.00 178.83 178.64 3tgk h ASP 240 N 1.05 1.01 -0.46 1.46 3.32 -0.65 -2.15 116.42 120.00 3tgk h ASP 240 Ca 0.27 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3tgk h ASP 240 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3tgk h ASP 240 CO -0.05 1.01 -0.27 0.74 -1.72 0.00 0.00 179.24 178.96 3tgk h THR 241 N 0.99 1.27 -0.57 0.35 2.02 -0.63 -2.40 112.91 113.94 3tgk h THR 241 Ca 0.20 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.85 3tgk h THR 241 Cb 0.43 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3tgk h THR 241 CO 0.01 0.49 0.02 0.40 0.37 0.00 0.00 175.52 176.81 3tgk h ILE 242 N 0.84 1.26 -0.27 3.11 2.04 -1.12 -2.51 117.51 120.85 3tgk h ILE 242 Ca 0.10 -1.10 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 3tgk h ILE 242 Cb 0.85 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3tgk h ILE 242 CO 0.08 0.40 -0.20 0.00 0.00 0.00 0.00 178.15 178.42 3tgk h ALA 243 N 0.98 1.15 -0.01 1.87 0.00 -1.34 -2.86 119.26 119.05 3tgk h ALA 243 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3tgk h ALA 243 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3tgk h ALA 243 CO 0.03 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 3tgk n ALA 244 N -2.48 2.83 -0.51 0.00 0.00 -0.91 -5.11 120.51 114.33 3tgk n ALA 244 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3tgk n ALA 244 Cb 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3tgk n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59