#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6c s VAL 2 N 0.00 1.16 -0.08 1.61 0.11 -1.26 -1.43 120.40 120.50 1b6c s VAL 2 Ca 0.00 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1b6c s VAL 2 Cb 0.00 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1b6c s VAL 2 CO 0.00 0.25 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.79 1b6c s GLN 3 N -0.54 2.87 -0.22 1.54 -0.21 -0.75 -4.95 119.66 117.40 1b6c s GLN 3 Ca 0.05 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 54.74 1b6c s GLN 3 Cb -0.06 -2.49 0.02 0.00 1.00 0.00 0.00 33.01 31.47 1b6c s GLN 3 CO -0.00 0.46 -0.11 0.08 -2.12 0.00 0.00 175.29 173.61 1b6c s VAL 4 N -0.31 2.69 -0.21 1.09 1.01 -1.26 -1.79 120.40 121.63 1b6c s VAL 4 Ca 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1b6c s VAL 4 Cb -0.13 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1b6c s VAL 4 CO 0.03 0.37 -0.11 -1.61 0.00 0.00 0.00 175.10 173.77 1b6c s GLU 5 N 1.34 3.18 0.33 2.72 2.02 -0.71 -4.95 118.70 122.64 1b6c s GLU 5 Ca 0.03 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 54.00 1b6c s GLU 5 Cb -0.15 -2.82 -0.10 0.00 0.10 0.00 0.00 34.13 31.16 1b6c s GLU 5 CO -0.07 -0.22 1.21 0.99 0.02 0.00 0.00 175.26 177.19 1b6c s THR 6 N 1.39 3.06 -0.10 3.63 2.01 -1.26 -0.53 115.64 123.84 1b6c s THR 6 Ca 0.05 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.11 1b6c s THR 6 Cb -0.14 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 1b6c s THR 6 CO -0.07 0.21 -0.04 -0.38 -0.69 0.00 0.00 174.62 173.64 1b6c n ILE 7 N 0.72 0.65 -3.67 1.82 5.41 0.12 -4.87 119.36 119.54 1b6c n ILE 7 Ca 0.01 -0.32 -0.09 0.00 1.00 0.00 0.00 62.75 63.35 1b6c n ILE 7 Cb 0.44 -0.84 -0.09 0.00 -0.71 0.00 0.00 39.64 38.43 1b6c n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1b6c s SER 8 N -4.65 -0.46 0.47 4.38 0.15 -0.55 -4.98 113.70 108.05 1b6c s SER 8 Ca -0.10 1.03 -0.24 0.00 0.70 0.00 0.00 55.95 57.33 1b6c s SER 8 Cb 0.03 1.18 -0.08 0.00 -1.71 0.00 0.00 66.02 65.45 1b6c s SER 8 CO 0.32 -0.22 1.37 -2.65 1.20 0.00 0.00 173.24 173.26 1b6c n PRO 9 N 4.86 2.02 -0.12 5.44 -0.02 -1.26 -0.30 135.00 145.63 1b6c n PRO 9 Ca -0.15 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1b6c n PRO 9 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1b6c n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b6c n GLY 10 N 0.69 1.68 0.00 -1.23 0.00 -1.26 -4.31 105.19 100.76 1b6c n GLY 10 Ca 0.07 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.19 1b6c n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b6c n ASP 11 N -0.39 0.00 0.00 1.61 5.68 -0.45 -4.85 116.55 118.15 1b6c n ASP 11 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1b6c n ASP 11 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1b6c n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b6c n GLY 12 N 0.68 1.98 0.00 6.12 0.00 -1.26 -4.78 105.19 107.92 1b6c n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1b6c n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b6c n ARG 13 N -2.00 3.63 -3.06 1.61 1.85 -1.26 -4.99 116.66 112.44 1b6c n ARG 13 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 1b6c n ARG 13 Cb 0.00 -0.34 -0.02 0.00 -1.05 0.00 0.00 32.46 31.05 1b6c n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1b6c s THR 14 N -0.09 5.01 -0.15 8.89 2.01 -1.26 -5.01 115.64 125.03 1b6c s THR 14 Ca 0.00 -1.84 -0.08 0.00 0.31 0.00 0.00 61.69 60.08 1b6c s THR 14 Cb 0.00 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 1b6c s THR 14 CO 0.00 -1.35 0.12 -0.36 -0.69 0.00 0.00 174.62 172.35 1b6c s PHE 15 N 1.90 3.49 0.49 4.92 0.08 -1.26 -1.31 117.98 126.29 1b6c s PHE 15 Ca 0.28 0.41 -0.22 0.00 0.12 0.00 0.00 56.93 57.52 1b6c s PHE 15 Cb -0.07 -2.02 -0.08 0.00 -0.57 0.00 0.00 43.02 40.29 1b6c s PHE 15 CO -0.09 0.53 1.10 -0.35 -0.10 0.00 0.00 175.22 176.31 1b6c n PRO 16 N 2.62 1.39 -4.41 0.24 -0.04 -1.26 -5.01 135.00 128.52 1b6c n PRO 16 Ca -0.18 0.51 -0.26 0.00 -0.04 0.00 0.00 63.50 63.53 1b6c n PRO 16 Cb 0.54 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 1b6c n PRO 16 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1b6c s LYS 17 N -2.39 1.72 0.21 0.54 1.02 -1.26 -4.89 119.74 114.68 1b6c s LYS 17 Ca 0.67 -1.56 -0.32 0.00 0.02 0.00 0.00 55.97 54.78 1b6c s LYS 17 Cb -0.48 -1.89 -0.14 0.00 -0.52 0.00 0.00 37.83 34.79 1b6c s LYS 17 CO 0.53 0.38 1.34 0.54 -0.92 0.00 0.00 175.35 177.22 1b6c n ARG 18 N -0.16 1.74 0.00 1.68 1.74 -1.26 -1.77 116.66 118.62 1b6c n ARG 18 Ca -0.09 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1b6c n ARG 18 Cb 0.58 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1b6c n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b6c n GLY 19 N 2.21 3.17 3.83 -0.13 0.00 -0.66 -5.02 105.19 108.59 1b6c n GLY 19 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1b6c n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b6c s GLN 20 N -0.34 3.64 -0.27 1.61 -0.21 -0.73 -4.79 119.66 118.58 1b6c s GLN 20 Ca 0.00 1.01 -0.11 0.00 0.02 0.00 0.00 55.36 56.28 1b6c s GLN 20 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1b6c s GLN 20 CO 0.00 -0.53 0.18 0.99 -2.12 0.00 0.00 175.29 173.81 1b6c s THR 21 N -2.67 5.29 0.03 -0.19 2.01 -0.94 -1.90 115.64 117.27 1b6c s THR 21 Ca 0.60 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.58 1b6c s THR 21 Cb -0.12 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 1b6c s THR 21 CO 0.37 0.28 0.50 0.00 -0.69 0.00 0.00 174.62 175.09 1b6c s VAL 23 N -0.91 2.64 0.27 0.00 1.01 -0.59 -1.73 120.40 121.09 1b6c s VAL 23 Ca 0.27 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1b6c s VAL 23 Cb -0.18 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1b6c s VAL 23 CO 0.16 0.51 0.25 0.68 0.00 0.00 0.00 175.10 176.70 1b6c s VAL 24 N 0.99 0.00 -0.05 2.92 -7.23 -0.00 -0.56 120.40 116.47 1b6c s VAL 24 Ca -0.02 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1b6c s VAL 24 Cb -0.15 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1b6c s VAL 24 CO -0.03 0.00 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.66 1b6c s HIS 25 N -3.74 1.23 0.23 2.82 3.76 -0.61 -0.82 115.29 118.15 1b6c s HIS 25 Ca 0.38 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.86 1b6c s HIS 25 Cb 0.04 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.78 1b6c s HIS 25 CO 0.19 -0.22 0.23 1.52 -0.85 0.00 0.00 174.74 175.61 1b6c s TYR 26 N 0.59 1.07 -0.21 1.40 1.13 -1.26 -1.22 117.35 118.85 1b6c s TYR 26 Ca -0.11 -1.28 -0.06 0.00 -1.41 0.00 0.00 57.07 54.20 1b6c s TYR 26 Cb -0.14 -0.41 0.10 0.00 -1.10 0.00 0.00 41.96 40.41 1b6c s TYR 26 CO 0.02 -0.75 0.43 0.99 -2.51 0.00 0.00 175.55 173.73 1b6c s THR 27 N -4.00 -0.67 -0.10 -3.49 2.01 -0.94 -2.23 115.64 106.20 1b6c s THR 27 Ca 0.36 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 1b6c s THR 27 Cb 0.05 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1b6c s THR 27 CO 0.13 0.04 0.04 -0.83 -0.69 0.00 0.00 174.62 173.31 1b6c s GLY 28 N 2.63 1.93 0.08 4.40 0.00 0.25 -1.08 107.32 115.52 1b6c s GLY 28 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1b6c s GLY 28 CO -0.14 -0.47 -0.06 1.06 0.00 0.00 0.00 173.10 173.50 1b6c s MET 29 N -0.80 0.72 0.63 2.90 -1.94 -0.00 -0.72 119.30 120.09 1b6c s MET 29 Ca 0.13 -1.18 -0.04 0.00 -1.71 0.00 0.00 55.69 52.88 1b6c s MET 29 Cb -0.12 -0.14 0.04 0.00 2.01 0.00 0.00 34.83 36.62 1b6c s MET 29 CO 0.03 -0.02 0.91 -0.51 -0.01 0.00 0.00 175.02 175.42 1b6c s LEU 30 N -2.69 3.04 0.31 -0.03 1.43 -0.44 -1.33 118.68 118.98 1b6c s LEU 30 Ca 0.06 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1b6c s LEU 30 Cb 0.02 -3.10 0.80 0.00 0.03 0.00 0.00 46.19 43.95 1b6c s LEU 30 CO -0.04 -1.35 1.77 -0.33 0.23 0.00 0.00 176.35 176.62 1b6c h GLU 31 N -0.30 0.67 0.00 1.70 5.08 -1.90 -0.29 114.58 119.54 1b6c h GLU 31 Ca -0.44 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1b6c h GLU 31 Cb 1.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1b6c h GLU 31 CO 0.58 0.45 0.00 -0.40 -1.00 0.00 0.00 179.01 178.63 1b6c n ASP 32 N -4.78 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 112.74 1b6c n ASP 32 Ca 0.24 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 1b6c n ASP 32 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1b6c n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b6c n GLY 33 N 0.27 0.65 3.66 6.12 0.00 -0.12 -5.05 105.19 110.73 1b6c n GLY 33 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1b6c n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6c s LYS 34 N -0.69 4.28 0.46 1.61 1.02 -1.26 -4.78 119.74 120.38 1b6c s LYS 34 Ca 0.00 1.09 -0.23 0.00 0.02 0.00 0.00 55.97 56.85 1b6c s LYS 34 Cb 0.00 -3.60 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 1b6c s LYS 34 CO 0.00 -0.41 1.16 0.21 -0.92 0.00 0.00 175.35 175.39 1b6c s LYS 35 N 2.45 3.75 0.00 1.68 2.20 -1.26 -1.32 119.74 127.23 1b6c s LYS 35 Ca 0.39 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 1b6c s LYS 35 Cb -0.16 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1b6c s LYS 35 CO 0.11 -0.56 0.05 1.97 -0.36 0.00 0.00 175.35 176.56 1b6c n PHE 36 N -0.51 0.00 -3.62 4.03 1.16 0.10 -4.92 117.46 113.69 1b6c n PHE 36 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.58 1b6c n PHE 36 Cb 0.48 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.29 1b6c n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1b6c s ASP 37 N -0.26 -0.27 -0.30 5.98 2.15 -1.24 -5.00 116.67 117.74 1b6c s ASP 37 Ca 0.00 0.43 -0.03 0.00 0.43 0.00 0.00 52.55 53.38 1b6c s ASP 37 Cb 0.00 0.40 0.19 0.00 -0.30 0.00 0.00 42.92 43.21 1b6c s ASP 37 CO 0.00 -0.16 0.70 -0.55 -0.17 0.00 0.00 175.17 174.99 1b6c s SER 38 N -0.42 -1.20 0.57 -0.34 0.15 -1.26 -0.58 113.70 110.62 1b6c s SER 38 Ca 0.04 0.69 0.34 0.00 0.70 0.00 0.00 55.95 57.72 1b6c s SER 38 Cb -0.03 1.98 1.68 0.00 -1.71 0.00 0.00 66.02 67.94 1b6c s SER 38 CO -0.06 -0.22 2.12 0.77 1.20 0.00 0.00 173.24 177.04 1b6c h SER 39 N 7.99 0.00 -0.26 5.45 4.64 -1.74 -2.24 113.55 127.39 1b6c h SER 39 Ca -0.19 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1b6c h SER 39 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1b6c h SER 39 CO 0.17 0.05 -0.02 0.03 -0.87 0.00 0.00 176.83 176.19 1b6c h ARG 40 N 0.00 0.47 -0.12 4.77 3.08 -1.83 -1.05 114.38 119.71 1b6c h ARG 40 Ca -0.00 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.92 1b6c h ARG 40 Cb 0.32 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1b6c h ARG 40 CO 0.01 0.66 0.09 -0.44 -1.07 0.00 0.00 179.97 179.21 1b6c h ASP 41 N 0.24 0.00 1.28 7.04 3.32 -1.72 0.14 116.42 126.72 1b6c h ASP 41 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1b6c h ASP 41 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1b6c h ASP 41 CO 0.02 0.00 -0.09 0.54 -1.72 0.00 0.00 179.24 177.99 1b6c n ARG 42 N -4.49 0.21 -3.74 3.56 1.74 -0.89 -4.93 116.66 108.12 1b6c n ARG 42 Ca -0.00 0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 56.96 1b6c n ARG 42 Cb 0.21 -1.72 0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1b6c n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1b6c n ASN 43 N -2.07 -5.54 -3.61 0.55 3.02 0.50 -4.97 115.26 103.14 1b6c n ASN 43 Ca 0.06 -0.65 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 1b6c n ASN 43 Cb 0.41 -4.39 -0.11 0.00 -0.61 0.00 0.00 39.78 35.08 1b6c n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1b6c s LYS 44 N -6.45 0.24 0.61 3.52 2.47 -1.05 -5.06 119.74 114.02 1b6c s LYS 44 Ca 0.62 0.80 -0.19 0.00 -1.56 0.00 0.00 55.97 55.63 1b6c s LYS 44 Cb -0.29 -0.02 -0.02 0.00 -1.46 0.00 0.00 37.83 36.03 1b6c s LYS 44 CO 0.76 -0.34 1.31 -2.14 0.16 0.00 0.00 175.35 175.11 1b6c s PRO 45 N 2.50 2.75 -0.07 4.03 0.02 -1.26 -4.66 135.00 138.30 1b6c s PRO 45 Ca 0.02 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.06 1b6c s PRO 45 Cb -0.13 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1b6c s PRO 45 CO -0.11 -1.46 0.24 0.12 -0.33 0.00 0.00 177.00 175.46 1b6c s PHE 46 N -1.37 3.65 -0.04 6.54 5.36 -0.00 -4.89 117.98 127.23 1b6c s PHE 46 Ca 0.79 0.70 0.05 0.00 -0.96 0.00 0.00 56.93 57.51 1b6c s PHE 46 Cb -0.38 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.22 1b6c s PHE 46 CO 0.42 0.70 -0.20 0.15 -1.46 0.00 0.00 175.22 174.83 1b6c s LYS 47 N -1.08 1.91 -0.01 10.12 1.02 -1.26 -0.82 119.74 129.62 1b6c s LYS 47 Ca 0.19 -0.70 -0.16 0.00 0.02 0.00 0.00 55.97 55.32 1b6c s LYS 47 Cb -0.14 -1.69 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1b6c s LYS 47 CO 0.08 0.32 0.33 -0.59 -0.92 0.00 0.00 175.35 174.57 1b6c s PHE 48 N -0.13 -0.20 -0.28 3.18 -0.71 -0.71 -4.97 117.98 114.16 1b6c s PHE 48 Ca -0.01 0.28 -0.16 0.00 -1.04 0.00 0.00 56.93 56.00 1b6c s PHE 48 Cb -0.11 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 1b6c s PHE 48 CO 0.02 -0.42 0.41 1.41 -1.34 0.00 0.00 175.22 175.29 1b6c s MET 49 N -1.51 3.95 0.26 1.99 -2.45 -1.26 -0.50 119.30 119.78 1b6c s MET 49 Ca -0.12 0.03 -0.30 0.00 -1.25 0.00 0.00 55.69 54.04 1b6c s MET 49 Cb -0.04 -3.68 -0.11 0.00 1.25 0.00 0.00 34.83 32.25 1b6c s MET 49 CO 0.03 -0.34 1.58 -1.17 1.05 0.00 0.00 175.02 176.17 1b6c s LEU 50 N 2.13 4.36 0.00 4.11 2.96 -0.80 -2.81 118.68 128.64 1b6c s LEU 50 Ca 0.16 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 1b6c s LEU 50 Cb -0.16 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1b6c s LEU 50 CO 0.10 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.87 1b6c n GLY 51 N 2.54 3.37 1.18 7.98 0.00 -1.26 -1.66 105.19 117.34 1b6c n GLY 51 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1b6c n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b6c n LYS 52 N -2.00 2.51 -3.91 1.61 5.02 -1.12 -4.95 118.16 115.32 1b6c n LYS 52 Ca 0.00 -2.28 -0.29 0.00 -2.02 0.00 0.00 58.31 53.72 1b6c n LYS 52 Cb 0.00 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 33.52 1b6c n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1b6c n GLN 53 N 1.33 -5.04 0.00 1.97 6.02 -1.26 -4.85 117.38 115.54 1b6c n GLN 53 Ca 0.21 0.57 0.14 0.00 -0.01 0.00 0.00 57.00 57.91 1b6c n GLN 53 Cb 0.55 -5.33 0.60 0.00 1.02 0.00 0.00 30.24 27.08 1b6c n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1b6c n GLU 54 N -4.56 0.26 -4.32 -1.09 1.02 -1.26 -4.82 120.64 105.87 1b6c n GLU 54 Ca -0.05 -0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 1b6c n GLU 54 Cb 0.56 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 1b6c n GLU 54 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1b6c s VAL 55 N -2.78 0.91 0.85 2.62 -7.23 -1.26 -5.08 120.40 108.43 1b6c s VAL 55 Ca 0.20 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 1b6c s VAL 55 Cb 0.19 -2.37 0.11 0.00 0.56 0.00 0.00 36.38 34.87 1b6c s VAL 55 CO 0.52 -0.29 1.18 0.27 -0.31 0.00 0.00 175.10 176.47 1b6c s ILE 56 N -3.50 2.10 0.20 -0.62 -4.36 -1.26 -4.75 121.20 109.01 1b6c s ILE 56 Ca 0.29 0.04 -0.10 0.00 -0.26 0.00 0.00 60.65 60.62 1b6c s ILE 56 Cb 0.06 -2.29 0.13 0.00 1.25 0.00 0.00 42.46 41.61 1b6c s ILE 56 CO 0.09 -0.04 1.78 -0.09 0.24 0.00 0.00 174.94 176.93 1b6c h ARG 57 N -1.28 0.55 -0.09 0.37 2.43 -1.86 -1.53 114.38 112.97 1b6c h ARG 57 Ca -0.45 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1b6c h ARG 57 Cb 1.28 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1b6c h ARG 57 CO 0.44 0.36 0.10 0.78 -1.51 0.00 0.00 179.97 180.15 1b6c h GLY 58 N 0.56 0.00 0.40 2.80 0.00 -1.10 -1.01 103.07 104.73 1b6c h GLY 58 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 1b6c h GLY 58 CO -0.21 0.00 -0.60 1.49 0.00 0.00 0.00 176.54 177.22 1b6c h TRP 59 N 0.00 0.32 -0.41 5.60 4.06 -1.55 0.11 115.95 124.08 1b6c h TRP 59 Ca 0.04 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1b6c h TRP 59 Cb 0.25 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 1b6c h TRP 59 CO 0.00 1.23 0.27 1.49 -3.56 0.00 0.00 178.44 177.87 1b6c h GLU 60 N -0.62 0.55 0.00 0.49 4.81 -1.02 0.15 114.58 118.95 1b6c h GLU 60 Ca -0.12 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.83 1b6c h GLU 60 Cb 1.41 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1b6c h GLU 60 CO 0.07 0.37 -1.68 0.39 -0.73 0.00 0.00 179.01 177.43 1b6c n GLU 61 N -4.47 0.63 -0.01 1.92 1.02 -0.42 -3.51 120.64 115.81 1b6c n GLU 61 Ca 0.03 0.22 -0.17 0.00 -0.02 0.00 0.00 57.16 57.23 1b6c n GLU 61 Cb 0.06 -1.76 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 1b6c n GLU 61 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1b6c h GLY 62 N 3.66 0.44 2.00 0.62 0.00 -0.41 -3.26 103.07 106.11 1b6c h GLY 62 Ca -0.26 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1b6c h GLY 62 CO 0.06 0.64 -0.04 -2.08 0.00 0.00 0.00 176.54 175.12 1b6c h VAL 63 N -0.11 0.09 0.00 4.60 2.07 -0.91 -2.69 116.25 119.30 1b6c h VAL 63 Ca -0.06 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1b6c h VAL 63 Cb 1.22 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1b6c h VAL 63 CO 0.10 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1b6c n ALA 64 N -2.11 1.80 0.36 1.67 0.00 -1.23 -2.49 120.51 118.51 1b6c n ALA 64 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1b6c n ALA 64 Cb 0.42 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1b6c n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b6c n GLN 65 N -1.17 3.88 -2.89 0.00 6.02 -1.01 -4.58 117.38 117.63 1b6c n GLN 65 Ca 0.07 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 1b6c n GLN 65 Cb 0.07 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.39 1b6c n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1b6c s MET 66 N -1.86 3.67 0.19 -1.09 -1.94 -1.04 -5.05 119.30 112.19 1b6c s MET 66 Ca 0.03 0.28 0.08 0.00 -1.71 0.00 0.00 55.69 54.37 1b6c s MET 66 Cb 0.06 -2.44 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 1b6c s MET 66 CO 0.34 -0.04 -0.03 -1.54 -0.01 0.00 0.00 175.02 173.75 1b6c s SER 67 N -3.48 4.56 0.08 3.03 1.04 -1.26 -4.39 113.70 113.30 1b6c s SER 67 Ca 0.48 -0.50 -0.37 0.00 0.48 0.00 0.00 55.95 56.05 1b6c s SER 67 Cb -0.10 -0.89 -0.17 0.00 0.10 0.00 0.00 66.02 64.95 1b6c s SER 67 CO 0.35 0.08 1.21 0.52 0.98 0.00 0.00 173.24 176.39 1b6c n VAL 68 N -0.21 0.22 0.00 5.02 0.31 -0.42 -1.15 118.33 122.11 1b6c n VAL 68 Ca -0.09 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1b6c n VAL 68 Cb 0.56 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1b6c n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b6c n GLY 69 N 2.16 1.13 3.80 2.92 0.00 0.34 -1.34 105.19 114.20 1b6c n GLY 69 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1b6c n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b6c s GLN 70 N -0.75 4.11 -0.10 1.61 0.74 -0.30 -4.34 119.66 120.62 1b6c s GLN 70 Ca 0.00 1.36 0.01 0.00 0.05 0.00 0.00 55.36 56.78 1b6c s GLN 70 Cb 0.00 -2.35 0.02 0.00 1.10 0.00 0.00 33.01 31.78 1b6c s GLN 70 CO 0.00 -0.16 -0.11 0.50 -0.55 0.00 0.00 175.29 174.97 1b6c s ARG 71 N -2.83 1.77 0.14 1.67 3.52 0.59 -1.97 118.95 121.84 1b6c s ARG 71 Ca 0.61 -0.38 -0.06 0.00 -0.13 0.00 0.00 55.73 55.77 1b6c s ARG 71 Cb -0.17 -1.63 -0.02 0.00 -1.56 0.00 0.00 34.95 31.57 1b6c s ARG 71 CO 0.21 -0.14 0.18 0.00 -0.81 0.00 0.00 175.30 174.75 1b6c s ALA 72 N 1.25 0.32 -0.32 6.12 0.00 0.69 0.11 121.76 129.92 1b6c s ALA 72 Ca -0.03 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 1b6c s ALA 72 Cb -0.14 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1b6c s ALA 72 CO -0.04 -0.57 0.22 0.21 0.00 0.00 0.00 175.76 175.58 1b6c s LYS 73 N -3.99 3.56 -0.27 0.00 2.20 0.31 -0.57 119.74 120.99 1b6c s LYS 73 Ca 0.18 -0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 1b6c s LYS 73 Cb 0.05 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 1b6c s LYS 73 CO -0.01 -0.39 0.17 -0.51 -0.36 0.00 0.00 175.35 174.25 1b6c s LEU 74 N 1.72 3.91 -0.32 5.43 1.43 0.26 -1.74 118.68 129.37 1b6c s LEU 74 Ca 0.06 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1b6c s LEU 74 Cb -0.17 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1b6c s LEU 74 CO 0.10 -0.05 0.12 -0.89 0.23 0.00 0.00 176.35 175.86 1b6c s THR 75 N 1.73 4.21 -0.15 5.49 2.01 -0.74 -0.06 115.64 128.14 1b6c s THR 75 Ca 0.07 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1b6c s THR 75 Cb -0.16 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1b6c s THR 75 CO 0.09 -0.02 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.31 1b6c s ILE 76 N 1.52 3.66 0.50 1.82 1.01 0.13 -1.81 121.20 128.04 1b6c s ILE 76 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1b6c s ILE 76 Cb -0.18 -2.58 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 1b6c s ILE 76 CO 0.04 0.50 0.96 -0.94 0.00 0.00 0.00 174.94 175.51 1b6c s SER 77 N 0.34 6.60 0.27 3.58 1.04 -0.51 -0.70 113.70 124.32 1b6c s SER 77 Ca -0.06 1.51 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 1b6c s SER 77 Cb -0.15 -2.49 0.54 0.00 0.10 0.00 0.00 66.02 64.03 1b6c s SER 77 CO 0.04 -0.57 1.60 -0.65 0.98 0.00 0.00 173.24 174.63 1b6c h PRO 78 N 0.92 0.05 0.00 4.02 0.11 -1.87 0.34 132.00 135.57 1b6c h PRO 78 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b6c h PRO 78 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b6c h PRO 78 CO 0.62 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1b6c n ASP 79 N -5.45 0.34 -0.56 -2.05 5.75 -1.26 -0.07 116.55 113.25 1b6c n ASP 79 Ca 0.17 0.61 0.06 0.00 -0.01 0.00 0.00 54.79 55.63 1b6c n ASP 79 Cb 0.57 -0.67 0.08 0.00 -1.03 0.00 0.00 41.12 40.07 1b6c n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1b6c n TYR 80 N -1.91 0.13 0.00 2.11 4.02 0.11 -4.86 117.16 116.77 1b6c n TYR 80 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1b6c n TYR 80 Cb 0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1b6c n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1b6c n ALA 81 N 0.70 0.00 -0.89 -0.72 0.00 -0.24 -0.42 120.51 118.93 1b6c n ALA 81 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1b6c n ALA 81 Cb 0.35 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.18 1b6c n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b6c n TYR 82 N 0.00 2.14 -0.48 0.00 4.02 -1.19 -4.80 117.16 116.85 1b6c n TYR 82 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 57.90 57.08 1b6c n TYR 82 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 1b6c n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1b6c n GLY 83 N 0.46 1.17 0.27 2.72 0.00 0.90 -0.23 105.19 110.48 1b6c n GLY 83 Ca 0.30 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1b6c n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6c h ALA 84 N -0.10 0.67 -0.71 4.61 0.00 -1.93 0.37 119.26 122.17 1b6c h ALA 84 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1b6c h ALA 84 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1b6c h ALA 84 CO 0.00 0.53 0.34 1.15 0.00 0.00 0.00 179.25 181.27 1b6c h THR 85 N 0.77 1.23 -0.52 0.00 2.02 -1.94 -3.34 112.91 111.13 1b6c h THR 85 Ca 0.13 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1b6c h THR 85 Cb 0.59 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1b6c h THR 85 CO 0.04 0.28 0.00 0.61 0.37 0.00 0.00 175.52 176.81 1b6c n GLY 86 N -0.96 -1.30 2.94 2.16 0.00 0.68 -4.39 105.19 104.31 1b6c n GLY 86 Ca 0.06 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1b6c n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1b6c s HIS 87 N 0.00 1.81 -0.46 1.61 5.04 0.17 -4.90 115.29 118.56 1b6c s HIS 87 Ca 0.00 -1.04 -0.41 0.00 -1.54 0.00 0.00 55.06 52.07 1b6c s HIS 87 Cb 0.00 -1.39 -0.18 0.00 0.04 0.00 0.00 32.58 31.05 1b6c s HIS 87 CO 0.00 -0.60 1.86 -2.30 -2.34 0.00 0.00 174.74 171.36 1b6c n PRO 88 N 4.86 0.00 0.00 2.88 -0.02 -1.26 -0.74 135.00 140.71 1b6c n PRO 88 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1b6c n PRO 88 Cb 0.49 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1b6c n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b6c n GLY 89 N 6.18 3.02 0.76 -1.23 0.00 -1.26 -4.77 105.19 107.89 1b6c n GLY 89 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.40 1b6c n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b6c n ILE 90 N -2.00 0.59 -4.03 -0.61 5.41 0.08 -5.02 119.36 113.78 1b6c n ILE 90 Ca 0.00 -0.03 -0.34 0.00 1.00 0.00 0.00 62.75 63.38 1b6c n ILE 90 Cb 0.00 -1.64 -0.15 0.00 -0.71 0.00 0.00 39.64 37.14 1b6c n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1b6c s ILE 91 N -2.16 2.55 0.72 1.39 1.01 0.08 -4.95 121.20 119.84 1b6c s ILE 91 Ca -0.10 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 1b6c s ILE 91 Cb 0.04 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1b6c s ILE 91 CO 0.13 0.36 0.95 -2.65 0.00 0.00 0.00 174.94 173.73 1b6c n PRO 92 N 4.65 0.49 -1.83 2.79 -0.02 -1.26 0.45 135.00 140.27 1b6c n PRO 92 Ca -0.18 0.22 -0.35 0.00 -2.02 0.00 0.00 63.50 61.17 1b6c n PRO 92 Cb 0.48 -2.20 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1b6c n PRO 92 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1b6c s PRO 93 N -3.32 2.74 -1.49 0.52 0.04 -1.26 -3.18 135.00 129.06 1b6c s PRO 93 Ca 0.73 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 1b6c s PRO 93 Cb -0.34 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.35 1b6c s PRO 93 CO 0.51 -1.36 0.87 0.72 0.04 0.00 0.00 177.00 177.78 1b6c n HIS 94 N -2.04 -2.13 -3.65 0.56 8.25 0.13 -4.92 115.22 111.43 1b6c n HIS 94 Ca 0.13 0.87 -0.37 0.00 -0.26 0.00 0.00 57.72 58.09 1b6c n HIS 94 Cb 0.50 -3.98 -0.06 0.00 1.12 0.00 0.00 29.99 27.57 1b6c n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b6c s ALA 95 N -3.43 3.74 -0.21 -1.41 0.00 -1.19 -4.84 121.76 114.42 1b6c s ALA 95 Ca 0.47 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 1b6c s ALA 95 Cb -0.24 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1b6c s ALA 95 CO 0.84 0.46 0.34 0.99 0.00 0.00 0.00 175.76 178.38 1b6c s THR 96 N -0.76 5.24 0.06 0.00 2.01 -1.26 -3.18 115.64 117.74 1b6c s THR 96 Ca 0.19 0.58 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1b6c s THR 96 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1b6c s THR 96 CO 0.08 0.28 0.12 -0.76 -0.69 0.00 0.00 174.62 173.65 1b6c s LEU 97 N 1.19 4.00 -0.16 4.42 1.43 0.12 -3.22 118.68 126.45 1b6c s LEU 97 Ca 0.16 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1b6c s LEU 97 Cb -0.14 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.51 1b6c s LEU 97 CO 0.07 0.19 -0.12 -0.69 0.23 0.00 0.00 176.35 176.03 1b6c s VAL 98 N -1.39 1.54 0.01 -1.59 1.01 -0.44 0.22 120.40 119.75 1b6c s VAL 98 Ca 0.30 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1b6c s VAL 98 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1b6c s VAL 98 CO 0.22 0.35 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 1b6c s PHE 99 N 1.48 2.68 -0.42 5.22 0.40 0.92 -0.82 117.98 127.43 1b6c s PHE 99 Ca 0.03 -0.18 -0.10 0.00 -0.60 0.00 0.00 56.93 56.08 1b6c s PHE 99 Cb -0.14 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1b6c s PHE 99 CO -0.10 0.26 0.28 0.34 0.70 0.00 0.00 175.22 176.70 1b6c s ASP 100 N -1.22 5.73 0.03 1.36 -1.08 -0.24 -0.57 116.67 120.68 1b6c s ASP 100 Ca 0.14 -1.42 0.06 0.00 -0.52 0.00 0.00 52.55 50.82 1b6c s ASP 100 Cb -0.11 -2.02 -0.03 0.00 -1.46 0.00 0.00 42.92 39.30 1b6c s ASP 100 CO 0.04 -0.54 -0.16 -0.69 0.52 0.00 0.00 175.17 174.34 1b6c s VAL 101 N 1.48 2.91 -0.12 1.11 1.01 0.27 -2.22 120.40 124.83 1b6c s VAL 101 Ca 0.03 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1b6c s VAL 101 Cb -0.23 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1b6c s VAL 101 CO 0.03 0.35 0.02 -0.70 0.00 0.00 0.00 175.10 174.80 1b6c s GLU 102 N -1.42 0.59 -0.80 2.72 2.12 -0.35 -0.22 118.70 121.33 1b6c s GLU 102 Ca 0.15 -0.07 -0.24 0.00 0.36 0.00 0.00 54.97 55.16 1b6c s GLU 102 Cb -0.11 -1.39 0.05 0.00 0.26 0.00 0.00 34.13 32.94 1b6c s GLU 102 CO 0.05 -0.44 1.23 -1.17 -0.54 0.00 0.00 175.26 174.40 1b6c s LEU 103 N 1.95 3.71 0.09 2.70 2.96 -0.83 -1.58 118.68 127.68 1b6c s LEU 103 Ca 0.03 -0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 52.81 1b6c s LEU 103 Cb -0.14 -2.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.97 1b6c s LEU 103 CO -0.06 -1.60 1.52 -0.07 -1.32 0.00 0.00 176.35 174.82 1b6c h LEU 104 N 12.33 0.51 -7.75 -0.68 3.38 -1.16 0.99 115.31 122.93 1b6c h LEU 104 Ca -0.13 -0.32 0.23 0.00 0.09 0.00 0.00 57.88 57.74 1b6c h LEU 104 Cb 1.04 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1b6c h LEU 104 CO 1.27 0.71 0.66 -1.59 0.09 0.00 0.00 178.44 179.59 1b6c s LYS 105 N -4.94 0.96 0.18 1.13 -2.85 -1.16 -4.48 119.74 108.58 1b6c s LYS 105 Ca -0.13 -0.59 0.10 0.00 -1.00 0.00 0.00 55.97 54.35 1b6c s LYS 105 Cb 0.08 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1b6c s LYS 105 CO 0.76 -0.45 -0.22 -0.51 0.10 0.00 0.00 175.35 175.04 1b6c s LEU 106 N -3.29 2.43 0.00 2.77 1.43 -1.26 -1.54 118.68 119.21 1b6c s LEU 106 Ca 0.20 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1b6c s LEU 106 Cb -0.01 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1b6c s LEU 106 CO 0.02 0.07 0.06 -0.62 0.23 0.00 0.00 176.35 176.10