#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6n s VAL 5 N 0.00 1.35 -0.01 1.61 0.11 -1.26 -0.97 120.40 121.23 3b6n s VAL 5 Ca 0.00 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 3b6n s VAL 5 Cb 0.00 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 3b6n s VAL 5 CO 0.00 0.38 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.97 3b6n s ARG 6 N -0.31 0.53 0.12 1.54 1.81 0.06 -4.98 118.95 117.71 3b6n s ARG 6 Ca 0.05 -0.19 -0.21 0.00 -1.72 0.00 0.00 55.73 53.66 3b6n s ARG 6 Cb -0.07 -0.53 -0.07 0.00 -0.45 0.00 0.00 34.95 33.83 3b6n s ARG 6 CO -0.00 0.09 0.64 -1.50 -0.68 0.00 0.00 175.30 173.85 3b6n s ILE 7 N 0.07 4.62 0.09 1.52 2.07 -1.26 0.89 121.20 129.20 3b6n s ILE 7 Ca -0.00 1.34 0.03 0.00 -1.41 0.00 0.00 60.65 60.60 3b6n s ILE 7 Cb -0.05 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 3b6n s ILE 7 CO -0.00 0.49 -0.09 -0.83 -1.91 0.00 0.00 174.94 172.60 3b6n s GLY 8 N -1.21 0.78 -0.05 1.50 0.00 -0.03 -3.74 107.32 104.57 3b6n s GLY 8 Ca 0.33 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 3b6n s GLY 8 CO 0.21 -1.22 0.17 1.62 0.00 0.00 0.00 173.10 173.87 3b6n s GLN 9 N -2.78 0.29 0.09 2.90 0.74 -1.23 -1.00 119.66 118.67 3b6n s GLN 9 Ca 0.04 0.05 -0.08 0.00 0.05 0.00 0.00 55.36 55.42 3b6n s GLN 9 Cb -0.03 0.13 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 3b6n s GLN 9 CO -0.01 -0.05 0.17 0.20 -0.55 0.00 0.00 175.29 175.05 3b6n s GLY 10 N -0.35 0.14 -0.05 2.59 0.00 0.33 -3.26 107.32 106.72 3b6n s GLY 10 Ca -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.91 3b6n s GLY 10 CO 0.01 -0.86 0.19 -0.47 0.00 0.00 0.00 173.10 171.97 3b6n s TYR 11 N -3.87 -0.16 -0.03 1.90 6.14 -1.26 -1.49 117.35 118.59 3b6n s TYR 11 Ca 0.06 0.37 -0.15 0.00 0.64 0.00 0.00 57.07 57.99 3b6n s TYR 11 Cb 0.05 0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.50 3b6n s TYR 11 CO -0.10 -0.16 0.32 0.34 0.64 0.00 0.00 175.55 176.58 3b6n s ASP 12 N -0.29 -0.21 -0.00 4.32 2.15 -0.32 -4.60 116.67 117.71 3b6n s ASP 12 Ca -0.04 0.15 0.01 0.00 0.43 0.00 0.00 52.55 53.10 3b6n s ASP 12 Cb -0.03 0.35 -0.00 0.00 -0.30 0.00 0.00 42.92 42.94 3b6n s ASP 12 CO 0.01 -0.42 -0.03 -0.51 -0.17 0.00 0.00 175.17 174.05 3b6n s ILE 13 N -1.17 0.21 0.04 4.11 2.07 -1.26 -0.67 121.20 124.53 3b6n s ILE 13 Ca -0.12 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 3b6n s ILE 13 Cb -0.05 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 3b6n s ILE 13 CO 0.04 0.04 -0.06 -1.00 -1.91 0.00 0.00 174.94 172.05 3b6n s HIS 14 N -0.12 0.51 0.20 3.50 3.76 -0.05 -4.98 115.29 118.11 3b6n s HIS 14 Ca 0.00 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 54.06 3b6n s HIS 14 Cb -0.01 -0.32 -0.09 0.00 1.11 0.00 0.00 32.58 33.27 3b6n s HIS 14 CO -0.00 -0.14 1.28 -1.14 -0.85 0.00 0.00 174.74 173.89 3b6n s GLN 15 N -1.71 4.41 0.29 1.40 0.74 -1.26 -0.18 119.66 123.34 3b6n s GLN 15 Ca -0.11 2.01 0.11 0.00 0.05 0.00 0.00 55.36 57.42 3b6n s GLN 15 Cb -0.09 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 3b6n s GLN 15 CO -0.01 -0.21 -0.16 0.96 -0.55 0.00 0.00 175.29 175.32 3b6n s ILE 16 N 0.05 2.31 -0.01 -2.34 -4.36 0.10 -0.92 121.20 116.04 3b6n s ILE 16 Ca 0.56 -2.33 0.05 0.00 -0.26 0.00 0.00 60.65 58.66 3b6n s ILE 16 Cb -0.36 -2.35 -0.01 0.00 1.25 0.00 0.00 42.46 40.99 3b6n s ILE 16 CO 0.38 -0.37 -0.15 -0.13 0.24 0.00 0.00 174.94 174.91 3b6n s ARG 17 N -3.56 1.18 0.21 0.37 0.52 -0.80 -4.31 118.95 112.56 3b6n s ARG 17 Ca 0.30 -0.56 0.18 0.00 -0.52 0.00 0.00 55.73 55.13 3b6n s ARG 17 Cb -0.03 -1.15 0.85 0.00 0.52 0.00 0.00 34.95 35.15 3b6n s ARG 17 CO 0.14 0.31 1.55 0.28 0.02 0.00 0.00 175.30 177.61 3b6n n VAL 18 N 2.63 1.10 -1.43 3.52 0.31 -1.26 -0.88 118.33 122.32 3b6n n VAL 18 Ca -0.15 0.46 -0.37 0.00 -0.01 0.00 0.00 64.34 64.27 3b6n n VAL 18 Cb 0.55 -1.40 0.07 0.00 -0.91 0.00 0.00 33.84 32.15 3b6n n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3b6n n GLY 19 N -0.69 -0.73 3.76 2.92 0.00 -1.26 -4.40 105.19 104.78 3b6n n GLY 19 Ca 0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3b6n n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b6n s PRO 20 N -2.94 3.45 0.28 1.61 0.04 -1.26 -2.00 135.00 134.18 3b6n s PRO 20 Ca 0.72 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.92 3b6n s PRO 20 Cb -0.37 -2.40 0.59 0.00 0.04 0.00 0.00 34.50 32.35 3b6n s PRO 20 CO 0.51 -0.91 1.80 -1.00 0.04 0.00 0.00 177.00 177.44 3b6n h PRO 21 N 1.85 0.79 -5.16 0.56 0.13 -1.85 -3.47 132.00 124.85 3b6n h PRO 21 Ca -0.50 -0.05 -0.69 0.00 -0.87 0.00 0.00 66.00 63.89 3b6n h PRO 21 Cb 1.28 -0.18 -0.16 0.00 0.13 0.00 0.00 31.00 32.07 3b6n h PRO 21 CO 0.59 0.52 1.20 -1.21 -0.23 0.00 0.00 178.00 178.87 3b6n s GLU 22 N -5.94 3.78 0.00 0.86 8.01 -1.26 -4.97 118.70 119.18 3b6n s GLU 22 Ca -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 54.97 52.92 3b6n s GLU 22 Cb 0.23 -5.07 0.00 0.00 -4.31 0.00 0.00 34.13 24.97 3b6n s GLU 22 CO 0.80 -1.87 0.00 0.36 0.01 0.00 0.00 175.26 174.56 3b6n n LYS 41 N 6.75 0.00 -4.13 1.61 2.85 -1.26 -5.22 118.16 118.77 3b6n n LYS 41 Ca 0.31 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.23 3b6n n LYS 41 Cb 0.47 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.78 3b6n n LYS 41 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3b6n s GLN 42 N 0.00 3.13 0.11 -1.58 -0.21 -1.26 -4.23 119.66 115.62 3b6n s GLN 42 Ca 0.00 -0.39 -0.07 0.00 0.02 0.00 0.00 55.36 54.92 3b6n s GLN 42 Cb 0.00 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 31.08 3b6n s GLN 42 CO 0.00 0.69 0.17 -1.54 -2.12 0.00 0.00 175.29 172.49 3b6n s SER 43 N -1.37 0.17 -0.15 5.90 1.04 -0.87 -4.86 113.70 113.57 3b6n s SER 43 Ca 0.19 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.51 3b6n s SER 43 Cb -0.12 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 3b6n s SER 43 CO 0.09 -0.75 1.07 -0.36 0.98 0.00 0.00 173.24 174.27 3b6n s PHE 44 N -3.92 3.33 0.34 5.02 0.08 -1.25 -2.17 117.98 119.41 3b6n s PHE 44 Ca 0.10 1.43 0.04 0.00 0.12 0.00 0.00 56.93 58.62 3b6n s PHE 44 Cb 0.05 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 3b6n s PHE 44 CO -0.07 -0.64 0.18 -1.59 -0.10 0.00 0.00 175.22 173.00 3b6n s LYS 45 N 2.66 1.71 0.12 0.44 -2.85 -0.11 -4.87 119.74 116.84 3b6n s LYS 45 Ca 0.48 -2.00 -0.33 0.00 -1.00 0.00 0.00 55.97 53.13 3b6n s LYS 45 Cb -0.18 -0.14 -0.12 0.00 -2.06 0.00 0.00 37.83 35.33 3b6n s LYS 45 CO 0.14 -0.50 1.74 -2.13 0.10 0.00 0.00 175.35 174.69 3b6n n ARG 46 N -0.67 2.48 -1.70 1.78 0.63 -1.26 0.83 116.66 118.75 3b6n n ARG 46 Ca 0.01 0.90 -0.43 0.00 -0.92 0.00 0.00 57.85 57.40 3b6n n ARG 46 Cb 0.64 -2.74 -0.02 0.00 0.45 0.00 0.00 32.46 30.79 3b6n n ARG 46 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3b6n n LEU 47 N 4.74 3.61 -4.27 6.15 7.94 0.97 -4.65 117.00 131.49 3b6n n LEU 47 Ca 0.18 1.15 -0.32 0.00 -1.11 0.00 0.00 56.01 55.91 3b6n n LEU 47 Cb 0.33 -1.49 -0.16 0.00 0.53 0.00 0.00 43.42 42.62 3b6n n LEU 47 CO 0.66 -0.24 -0.54 -0.89 -1.11 0.00 0.00 177.39 175.26 3b6n s THR 48 N -0.10 2.22 -0.06 1.96 2.01 -1.25 -0.80 115.64 119.61 3b6n s THR 48 Ca 0.66 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 3b6n s THR 48 Cb -0.59 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.13 3b6n s THR 48 CO 0.50 0.56 0.11 -0.51 -0.69 0.00 0.00 174.62 174.59 3b6n s ILE 49 N 0.04 -0.17 -1.85 1.82 2.07 -0.19 -3.80 121.20 119.12 3b6n s ILE 49 Ca -0.09 0.36 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 3b6n s ILE 49 Cb -0.15 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.22 3b6n s ILE 49 CO 0.06 0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.84 3b6n n GLY 50 N 5.12 0.74 2.16 1.50 0.00 -1.26 -1.71 105.19 111.75 3b6n n GLY 50 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3b6n n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b6n n GLY 51 N -0.81 0.81 3.51 -0.02 0.00 -1.26 -4.52 105.19 102.90 3b6n n GLY 51 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 3b6n n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b6n s VAL 52 N -3.13 4.64 0.38 1.61 1.01 -0.69 -5.08 120.40 119.13 3b6n s VAL 52 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 3b6n s VAL 52 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3b6n s VAL 52 CO 0.00 0.33 1.23 -2.84 0.00 0.00 0.00 175.10 173.82 3b6n s PRO 53 N 1.50 4.15 -0.41 2.72 0.02 -1.26 -1.02 135.00 140.69 3b6n s PRO 53 Ca 0.06 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.11 3b6n s PRO 53 Cb -0.15 -2.83 0.12 0.00 0.02 0.00 0.00 34.50 31.66 3b6n s PRO 53 CO 0.05 -0.29 0.17 0.08 -0.33 0.00 0.00 177.00 176.68 3b6n s VAL 54 N -1.29 1.88 -0.56 3.83 1.01 0.02 -4.94 120.40 120.35 3b6n s VAL 54 Ca 0.54 -2.50 0.19 0.00 0.00 0.00 0.00 61.98 60.21 3b6n s VAL 54 Cb -0.35 -2.35 0.20 0.00 0.00 0.00 0.00 36.38 33.88 3b6n s VAL 54 CO 0.45 -0.75 1.59 1.21 0.00 0.00 0.00 175.10 177.60 3b6n n GLU 55 N 3.86 0.13 -0.23 2.72 4.07 -1.26 -2.39 120.64 127.54 3b6n n GLU 55 Ca 0.04 0.45 0.10 0.00 -0.06 0.00 0.00 57.16 57.69 3b6n n GLU 55 Cb 0.37 -1.79 0.26 0.00 -0.06 0.00 0.00 31.44 30.22 3b6n n GLU 55 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3b6n n THR 56 N -2.04 0.61 -4.13 6.31 -2.24 -1.26 -4.32 114.28 107.20 3b6n n THR 56 Ca 0.01 -0.67 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 3b6n n THR 56 Cb 0.15 0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 3b6n n THR 56 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3b6n s ILE 57 N -1.39 0.38 0.16 2.28 1.01 -1.01 -4.03 121.20 118.60 3b6n s ILE 57 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3b6n s ILE 57 Cb 0.19 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 3b6n s ILE 57 CO 0.26 0.11 0.33 -0.44 0.00 0.00 0.00 174.94 175.21 3b6n s SER 58 N -0.05 6.37 -0.02 3.58 0.01 -0.06 -0.02 113.70 123.51 3b6n s SER 58 Ca 0.01 0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.63 3b6n s SER 58 Cb -0.03 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 3b6n s SER 58 CO -0.00 0.02 -0.13 0.54 0.41 0.00 0.00 173.24 174.08 3b6n s VAL 59 N -1.77 1.08 -0.56 3.43 0.11 0.24 -1.91 120.40 121.03 3b6n s VAL 59 Ca 0.37 -0.56 -0.24 0.00 -2.93 0.00 0.00 61.98 58.62 3b6n s VAL 59 Cb -0.11 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 3b6n s VAL 59 CO 0.28 0.31 0.94 -0.22 -3.33 0.00 0.00 175.10 173.09 3b6n s LEU 60 N -0.14 4.13 0.00 2.54 2.96 -0.09 -0.94 118.68 127.15 3b6n s LEU 60 Ca 0.02 -0.40 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 3b6n s LEU 60 Cb -0.07 -2.79 0.05 0.00 0.50 0.00 0.00 46.19 43.87 3b6n s LEU 60 CO 0.00 -1.24 0.49 -0.94 -1.32 0.00 0.00 176.35 173.34 3b6n s SER 61 N 2.90 -0.40 0.02 3.68 1.04 -0.92 -4.35 113.70 115.66 3b6n s SER 61 Ca 0.30 0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.72 3b6n s SER 61 Cb -0.13 0.44 -0.16 0.00 0.10 0.00 0.00 66.02 66.27 3b6n s SER 61 CO 0.18 -0.60 1.25 1.12 0.98 0.00 0.00 173.24 176.17 3b6n h HIS 62 N 3.18 -0.68 -2.51 5.02 2.07 -1.87 -2.32 115.15 118.04 3b6n h HIS 62 Ca -0.30 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 3b6n h HIS 62 Cb 1.18 0.23 0.00 0.00 2.57 0.00 0.00 27.41 31.39 3b6n h HIS 62 CO 0.42 -0.35 0.00 -1.13 -3.07 0.00 0.00 177.93 173.80 3b6n n SER 63 N -5.31 0.00 0.06 3.10 3.41 -1.26 -4.90 113.62 108.71 3b6n n SER 63 Ca -0.11 -0.47 0.07 0.00 -0.26 0.00 0.00 58.87 58.09 3b6n n SER 63 Cb 0.33 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.59 3b6n n SER 63 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3b6n n ASP 64 N -1.41 0.25 -0.24 4.04 5.68 -0.50 -4.88 116.55 119.49 3b6n n ASP 64 Ca 0.00 0.59 -0.03 0.00 -0.50 0.00 0.00 54.79 54.86 3b6n n ASP 64 Cb 0.00 -0.63 -0.01 0.00 -1.14 0.00 0.00 41.12 39.34 3b6n n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b6n n GLY 65 N -0.79 0.45 3.55 6.12 0.00 -1.26 -3.94 105.19 109.32 3b6n n GLY 65 Ca 0.01 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3b6n n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b6n s ASP 66 N -2.94 5.47 0.39 1.61 -1.08 -1.25 -4.79 116.67 114.09 3b6n s ASP 66 Ca 0.00 -0.00 0.06 0.00 -0.52 0.00 0.00 52.55 52.09 3b6n s ASP 66 Cb 0.00 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.70 3b6n s ASP 66 CO 0.00 -2.28 2.01 0.58 0.52 0.00 0.00 175.17 176.00 3b6n h VAL 67 N 6.76 1.13 0.10 1.11 2.07 -1.92 -0.91 116.25 124.59 3b6n h VAL 67 Ca -0.20 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3b6n h VAL 67 Cb 1.12 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3b6n h VAL 67 CO 1.24 0.15 -0.05 0.40 0.02 0.00 0.00 177.57 179.32 3b6n h ILE 68 N 0.57 1.09 -0.52 4.57 2.04 -1.90 -2.10 117.51 121.26 3b6n h ILE 68 Ca 0.15 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 3b6n h ILE 68 Cb 0.03 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3b6n h ILE 68 CO -0.02 0.28 -0.02 -0.26 0.00 0.00 0.00 178.15 178.13 3b6n h PHE 69 N -0.76 0.96 -0.08 1.37 -1.00 -1.92 -1.18 116.94 114.32 3b6n h PHE 69 Ca -0.01 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.61 3b6n h PHE 69 Cb 0.56 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 3b6n h PHE 69 CO 0.11 0.88 0.04 0.45 -1.61 0.00 0.00 178.31 178.17 3b6n h HIS 70 N 0.82 0.12 -0.05 -0.55 3.86 -1.24 -0.20 115.15 117.91 3b6n h HIS 70 Ca 0.15 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 3b6n h HIS 70 Cb 0.51 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3b6n h HIS 70 CO 0.03 0.19 -0.65 0.00 0.86 0.00 0.00 177.93 178.36 3b6n h ALA 71 N 0.91 0.81 -0.15 2.45 0.00 -1.30 -1.95 119.26 120.04 3b6n h ALA 71 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 3b6n h ALA 71 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3b6n h ALA 71 CO -0.00 0.77 -0.08 1.25 0.00 0.00 0.00 179.25 181.19 3b6n h LEU 72 N 0.14 0.33 -0.89 0.00 5.85 -1.18 -0.02 115.31 119.54 3b6n h LEU 72 Ca -0.01 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.41 3b6n h LEU 72 Cb 1.17 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 3b6n h LEU 72 CO 0.10 0.67 0.52 0.58 -0.34 0.00 0.00 178.44 179.97 3b6n h VAL 73 N -0.01 0.86 -0.51 1.05 2.07 -0.97 -1.46 116.25 117.29 3b6n h VAL 73 Ca 0.03 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3b6n h VAL 73 Cb 0.55 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3b6n h VAL 73 CO 0.02 0.15 -0.07 0.44 0.02 0.00 0.00 177.57 178.13 3b6n h ASP 74 N 0.81 0.90 -0.26 0.57 3.32 -1.18 -2.28 116.42 118.30 3b6n h ASP 74 Ca 0.45 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.26 3b6n h ASP 74 Cb 0.49 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3b6n h ASP 74 CO -0.28 1.00 0.08 0.00 -1.72 0.00 0.00 179.24 178.32 3b6n h ALA 75 N 1.09 0.28 -0.17 3.45 0.00 -0.20 -1.15 119.26 122.56 3b6n h ALA 75 Ca 0.14 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3b6n h ALA 75 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3b6n h ALA 75 CO 0.04 -0.33 -0.03 -0.07 0.00 0.00 0.00 179.25 178.86 3b6n h LEU 76 N 0.20 0.31 -0.36 0.00 3.38 -1.09 0.27 115.31 118.02 3b6n h LEU 76 Ca 0.11 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3b6n h LEU 76 Cb 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3b6n h LEU 76 CO -0.12 0.59 0.16 -0.07 0.09 0.00 0.00 178.44 179.09 3b6n h LEU 77 N 0.03 0.21 -1.01 1.67 3.38 -1.48 -2.46 115.31 115.66 3b6n h LEU 77 Ca 0.04 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3b6n h LEU 77 Cb 0.44 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 3b6n h LEU 77 CO 0.01 0.16 0.63 1.23 0.09 0.00 0.00 178.44 180.57 3b6n h GLY 78 N 0.33 1.67 1.77 0.83 0.00 -1.07 0.14 103.07 106.73 3b6n h GLY 78 Ca 0.16 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3b6n h GLY 78 CO -0.13 0.13 0.09 -1.33 0.00 0.00 0.00 176.54 175.29 3b6n h GLY 79 N 0.96 0.00 -1.95 4.60 0.00 -0.48 -1.86 103.07 104.34 3b6n h GLY 79 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3b6n h GLY 79 CO -0.28 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.29 3b6n n MET 80 N -4.17 2.39 -3.53 4.80 2.00 0.32 -4.73 117.12 114.19 3b6n n MET 80 Ca -0.01 -2.16 -0.25 0.00 0.00 0.00 0.00 57.70 55.28 3b6n n MET 80 Cb 0.20 -1.43 -0.02 0.00 0.00 0.00 0.00 33.22 31.98 3b6n n MET 80 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3b6n n SER 81 N 1.18 -3.19 -4.84 7.83 7.64 -0.37 -5.03 113.62 116.84 3b6n n SER 81 Ca 0.17 -0.49 -0.22 0.00 1.01 0.00 0.00 58.87 59.34 3b6n n SER 81 Cb 0.52 -2.66 0.08 0.00 -1.01 0.00 0.00 64.21 61.14 3b6n n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b6n n SER 83 N -2.53 0.00 0.14 0.00 7.64 -1.26 -3.76 113.62 113.84 3b6n n SER 83 Ca 0.13 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 3b6n n SER 83 Cb 0.61 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.65 3b6n n SER 83 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3b6n h LYS 99 N 0.00 0.51 -6.27 1.43 1.79 -1.97 -3.44 116.57 108.63 3b6n h LYS 99 Ca 0.00 -0.87 -0.57 0.00 -2.18 0.00 0.00 60.65 57.03 3b6n h LYS 99 Cb 0.00 0.32 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3b6n h LYS 99 CO 0.00 1.42 1.26 1.21 -1.08 0.00 0.00 179.45 182.26 3b6n s ASN 100 N -7.53 5.87 0.00 0.86 3.04 -1.26 -1.41 114.94 114.51 3b6n s ASN 100 Ca -0.09 1.13 0.30 0.00 0.04 0.00 0.00 52.86 54.23 3b6n s ASN 100 Cb 0.04 -2.53 1.53 0.00 -1.54 0.00 0.00 41.25 38.76 3b6n s ASN 100 CO 0.93 -1.76 2.03 -1.54 -3.04 0.00 0.00 177.10 173.72 3b6n n SER 101 N 10.40 0.40 -0.05 -4.21 3.41 -1.26 -2.15 113.62 120.16 3b6n n SER 101 Ca 0.22 -0.89 0.02 0.00 -0.26 0.00 0.00 58.87 57.95 3b6n n SER 101 Cb 0.48 -0.05 0.35 0.00 -0.26 0.00 0.00 64.21 64.72 3b6n n SER 101 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3b6n h LEU 102 N 0.59 0.57 -0.44 1.04 5.85 -1.97 -2.35 115.31 118.60 3b6n h LEU 102 Ca 0.00 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3b6n h LEU 102 Cb 0.22 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3b6n h LEU 102 CO 0.00 0.47 0.15 0.28 -0.34 0.00 0.00 178.44 179.00 3b6n h SER 103 N 0.65 0.14 -0.73 1.25 0.02 -1.85 -0.70 113.55 112.34 3b6n h SER 103 Ca 0.17 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3b6n h SER 103 Cb 0.04 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3b6n h SER 103 CO -0.03 0.11 0.45 -0.26 -1.14 0.00 0.00 176.83 175.96 3b6n h PHE 104 N 0.31 0.95 -0.22 3.45 -1.00 -1.62 -2.29 116.94 116.52 3b6n h PHE 104 Ca 0.21 0.01 -0.19 0.00 2.81 0.00 0.00 57.97 60.80 3b6n h PHE 104 Cb 0.21 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.46 3b6n h PHE 104 CO -0.16 0.63 -0.63 1.25 -1.61 0.00 0.00 178.31 177.79 3b6n h LEU 105 N 1.01 0.90 -0.95 1.54 5.85 -1.00 -1.55 115.31 121.11 3b6n h LEU 105 Ca 0.26 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3b6n h LEU 105 Cb -0.05 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3b6n h LEU 105 CO -0.05 1.31 0.16 0.03 -0.34 0.00 0.00 178.44 179.55 3b6n h ARG 106 N 0.58 0.93 -0.60 1.25 3.08 -1.05 -2.14 114.38 116.43 3b6n h ARG 106 Ca -0.01 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3b6n h ARG 106 Cb 1.24 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 3b6n h ARG 106 CO 0.13 0.82 0.21 1.88 -1.07 0.00 0.00 179.97 181.94 3b6n h TYR 107 N 0.89 0.95 -0.67 3.04 0.05 -1.21 -2.64 116.97 117.38 3b6n h TYR 107 Ca 0.20 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.98 3b6n h TYR 107 Cb 0.30 -0.28 -0.07 0.00 1.01 0.00 0.00 36.73 37.69 3b6n h TYR 107 CO 0.02 0.77 0.33 0.00 -1.05 0.00 0.00 178.16 178.23 3b6n h ALA 108 N 1.07 0.91 -0.79 3.88 0.00 -1.20 0.33 119.26 123.45 3b6n h ALA 108 Ca 0.20 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.31 3b6n h ALA 108 Cb 0.25 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 3b6n h ALA 108 CO -0.01 -0.06 0.35 -0.09 0.00 0.00 0.00 179.25 179.44 3b6n h ARG 109 N 0.57 0.49 -0.04 0.00 2.43 -1.04 0.05 114.38 116.85 3b6n h ARG 109 Ca 0.33 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 3b6n h ARG 109 Cb 0.32 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3b6n h ARG 109 CO -0.25 0.32 -0.73 -0.07 -1.51 0.00 0.00 179.97 177.73 3b6n h LEU 110 N 0.51 0.71 -0.45 3.80 3.38 -0.85 -2.88 115.31 119.52 3b6n h LEU 110 Ca 0.44 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3b6n h LEU 110 Cb 0.66 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3b6n h LEU 110 CO -0.39 1.32 0.22 0.25 0.09 0.00 0.00 178.44 179.93 3b6n h LEU 111 N 0.16 0.30 -0.21 1.67 5.85 -0.19 0.35 115.31 123.24 3b6n h LEU 111 Ca -0.08 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3b6n h LEU 111 Cb 1.40 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 3b6n h LEU 111 CO 0.15 0.22 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.22 3b6n h LEU 112 N 0.43 -0.57 -0.30 2.25 3.38 -1.05 0.38 115.31 119.84 3b6n h LEU 112 Ca 0.20 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.32 3b6n h LEU 112 Cb 0.12 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3b6n h LEU 112 CO -0.15 -0.22 0.07 0.22 0.09 0.00 0.00 178.44 178.45 3b6n h TYR 113 N -0.18 0.11 -0.73 1.13 3.20 -1.38 0.11 116.97 119.23 3b6n h TYR 113 Ca 0.13 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.06 3b6n h TYR 113 Cb 0.37 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 3b6n h TYR 113 CO -0.33 0.03 0.48 0.87 -1.64 0.00 0.00 178.16 177.57 3b6n h LYS 114 N 0.18 0.82 -0.12 1.82 1.79 0.06 -2.50 116.57 118.62 3b6n h LYS 114 Ca 0.14 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3b6n h LYS 114 Cb 0.14 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3b6n h LYS 114 CO -0.18 0.54 0.00 0.54 -1.08 0.00 0.00 179.45 179.28 3b6n n ARG 115 N -4.46 1.86 -2.55 3.15 1.74 0.09 -4.96 116.66 111.53 3b6n n ARG 115 Ca 0.10 -1.28 -0.09 0.00 -0.77 0.00 0.00 57.85 55.81 3b6n n ARG 115 Cb 0.16 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3b6n n ARG 115 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b6n n ASN 116 N 0.52 -3.29 -4.42 0.55 2.85 -0.32 -5.00 115.26 106.15 3b6n n ASN 116 Ca 0.17 -0.11 -0.31 0.00 -0.11 0.00 0.00 54.58 54.23 3b6n n ASN 116 Cb 0.40 -2.21 -0.13 0.00 1.24 0.00 0.00 39.78 39.08 3b6n n ASN 116 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3b6n s TYR 117 N -2.77 2.49 0.14 1.20 1.51 0.24 -1.18 117.35 118.98 3b6n s TYR 117 Ca 0.12 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 3b6n s TYR 117 Cb -0.05 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3b6n s TYR 117 CO 0.14 0.22 -0.07 0.00 -1.11 0.00 0.00 175.55 174.73 3b6n s ALA 118 N -0.89 3.02 -0.12 3.71 0.00 0.51 -4.16 121.76 123.83 3b6n s ALA 118 Ca 0.14 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 3b6n s ALA 118 Cb -0.10 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3b6n s ALA 118 CO 0.04 0.55 1.05 0.42 0.00 0.00 0.00 175.76 177.82 3b6n s ILE 119 N -1.50 4.67 -0.01 0.00 1.01 -1.26 0.16 121.20 124.28 3b6n s ILE 119 Ca 0.24 1.96 -0.20 0.00 0.00 0.00 0.00 60.65 62.65 3b6n s ILE 119 Cb -0.10 -4.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.00 3b6n s ILE 119 CO 0.15 -0.03 0.89 0.00 0.00 0.00 0.00 174.94 175.95 3b6n h ALA 120 N 7.25 -0.79 -2.95 9.38 0.00 -1.32 -3.46 119.26 127.36 3b6n h ALA 120 Ca -0.29 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.53 3b6n h ALA 120 Cb 1.13 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3b6n h ALA 120 CO 0.88 -0.73 0.25 0.54 0.00 0.00 0.00 179.25 180.19 3b6n s ASN 121 N -4.40 -0.28 0.04 0.00 4.22 -1.22 -4.82 114.94 108.48 3b6n s ASN 121 Ca -0.11 -0.55 0.04 0.00 -2.14 0.00 0.00 52.86 50.10 3b6n s ASN 121 Cb 0.01 0.70 -0.02 0.00 1.28 0.00 0.00 41.25 43.22 3b6n s ASN 121 CO 0.32 -1.29 -0.12 0.68 -2.04 0.00 0.00 177.10 174.65 3b6n s VAL 122 N -3.86 0.92 -0.06 3.54 -7.23 0.05 -1.28 120.40 112.47 3b6n s VAL 122 Ca 0.10 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3b6n s VAL 122 Cb -0.05 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 36.04 3b6n s VAL 122 CO 0.05 -0.14 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.05 3b6n s ASP 123 N -1.31 1.32 -0.05 4.85 -1.08 -0.47 -1.22 116.67 118.71 3b6n s ASP 123 Ca -0.02 -0.14 0.05 0.00 -0.52 0.00 0.00 52.55 51.92 3b6n s ASP 123 Cb -0.08 -0.50 -0.01 0.00 -1.46 0.00 0.00 42.92 40.87 3b6n s ASP 123 CO 0.01 -0.11 -0.21 -0.63 0.52 0.00 0.00 175.17 174.76 3b6n s ILE 124 N 1.35 1.73 -0.13 4.11 1.01 0.95 -1.68 121.20 128.54 3b6n s ILE 124 Ca -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3b6n s ILE 124 Cb -0.13 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3b6n s ILE 124 CO -0.02 0.49 -0.18 -0.63 0.00 0.00 0.00 174.94 174.59 3b6n s ILE 125 N -0.05 1.77 -0.22 2.92 1.01 0.05 -1.35 121.20 125.34 3b6n s ILE 125 Ca -0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 3b6n s ILE 125 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3b6n s ILE 125 CO 0.03 0.49 0.28 -0.69 0.00 0.00 0.00 174.94 175.05 3b6n s VAL 126 N 0.95 5.28 -0.37 2.92 1.01 -0.07 -1.22 120.40 128.90 3b6n s VAL 126 Ca -0.06 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 3b6n s VAL 126 Cb -0.15 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3b6n s VAL 126 CO -0.03 0.29 0.19 -0.63 0.00 0.00 0.00 175.10 174.93 3b6n s ILE 127 N 1.24 4.46 -0.28 2.22 1.01 -0.11 -1.00 121.20 128.75 3b6n s ILE 127 Ca 0.13 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 3b6n s ILE 127 Cb -0.14 -3.50 0.08 0.00 0.01 0.00 0.00 42.46 38.91 3b6n s ILE 127 CO 0.06 -0.23 0.69 0.00 0.00 0.00 0.00 174.94 175.46 3b6n s ALA 128 N 1.53 -1.85 0.06 9.38 0.00 -0.48 -1.88 121.76 128.53 3b6n s ALA 128 Ca 0.01 2.35 -0.23 0.00 0.00 0.00 0.00 51.96 54.09 3b6n s ALA 128 Cb -0.19 -1.38 -0.15 0.00 0.00 0.00 0.00 23.12 21.39 3b6n s ALA 128 CO 0.06 -0.37 1.58 1.49 0.00 0.00 0.00 175.76 178.52 3b6n h GLU 129 N 6.68 0.06 -4.37 0.00 4.57 -1.81 -3.33 114.58 116.38 3b6n h GLU 129 Ca -0.30 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.63 3b6n h GLU 129 Cb 1.22 -0.01 -0.21 0.00 -0.16 0.00 0.00 28.75 29.59 3b6n h GLU 129 CO 0.15 0.22 -0.72 0.14 -1.18 0.00 0.00 179.01 177.61 3b6n s VAL 130 N -5.48 0.40 0.52 0.32 -7.23 -1.26 -4.53 120.40 103.14 3b6n s VAL 130 Ca -0.14 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 3b6n s VAL 130 Cb 0.05 -0.49 -0.07 0.00 0.56 0.00 0.00 36.38 36.43 3b6n s VAL 130 CO 0.67 -0.40 0.96 -2.16 -0.31 0.00 0.00 175.10 173.86 3b6n s PRO 131 N -1.50 3.84 0.34 4.82 0.04 -1.26 -4.93 135.00 136.35 3b6n s PRO 131 Ca -0.11 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 3b6n s PRO 131 Cb -0.10 -2.16 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 3b6n s PRO 131 CO -0.00 -0.30 1.36 1.63 0.04 0.00 0.00 177.00 179.73 3b6n n LYS 132 N -1.81 2.27 0.01 4.56 4.01 -1.26 -4.89 118.16 121.05 3b6n n LYS 132 Ca 0.06 0.80 -0.14 0.00 -0.51 0.00 0.00 58.31 58.52 3b6n n LYS 132 Cb 0.54 -2.43 -0.14 0.00 -0.51 0.00 0.00 35.03 32.49 3b6n n LYS 132 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 3b6n h ILE 133 N 2.73 0.89 -0.46 -0.18 1.08 -1.95 -3.41 117.51 116.22 3b6n h ILE 133 Ca -0.47 -2.66 0.09 0.00 -0.39 0.00 0.00 64.86 61.43 3b6n h ILE 133 Cb 1.27 2.54 -0.09 0.00 -3.07 0.00 0.00 36.82 37.46 3b6n h ILE 133 CO 0.65 0.69 -0.16 -1.28 -0.69 0.00 0.00 178.15 177.36 3b6n h SER 134 N 0.03 -0.58 -0.93 1.72 0.87 -1.96 -1.17 113.55 111.53 3b6n h SER 134 Ca -0.30 0.16 0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3b6n h SER 134 Cb 2.01 0.34 -0.07 0.00 -0.44 0.00 0.00 62.40 64.24 3b6n h SER 134 CO 0.10 -0.20 0.60 -0.65 -0.53 0.00 0.00 176.83 176.15 3b6n h PRO 135 N -0.06 0.89 -0.39 2.24 0.11 -2.01 -2.94 132.00 129.83 3b6n h PRO 135 Ca 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3b6n h PRO 135 Cb 0.40 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3b6n h PRO 135 CO -0.51 0.59 0.00 0.44 -0.21 0.00 0.00 178.00 178.31 3b6n n ILE 136 N -4.56 0.59 0.03 4.15 -5.35 -0.90 -4.63 119.36 108.70 3b6n n ILE 136 Ca 0.17 -0.80 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 3b6n n ILE 136 Cb 0.33 0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 39.03 3b6n n ILE 136 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3b6n h ARG 137 N 3.88 -0.02 -0.99 6.28 2.43 -1.04 -1.30 114.38 123.63 3b6n h ARG 137 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3b6n h ARG 137 Cb 0.90 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.38 3b6n h ARG 137 CO 0.00 0.15 0.63 0.93 -1.51 0.00 0.00 179.97 180.16 3b6n h GLU 138 N -0.18 0.96 -0.30 0.20 5.08 -1.82 -1.08 114.58 117.44 3b6n h GLU 138 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3b6n h GLU 138 Cb 0.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3b6n h GLU 138 CO 0.00 0.63 -0.03 1.49 -1.00 0.00 0.00 179.01 180.10 3b6n h GLU 139 N 0.99 0.55 -0.23 2.33 4.81 -1.79 -1.08 114.58 120.15 3b6n h GLU 139 Ca 0.48 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3b6n h GLU 139 Cb 0.46 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3b6n h GLU 139 CO -0.24 0.72 0.07 0.82 -0.73 0.00 0.00 179.01 179.65 3b6n h ILE 140 N 0.32 1.20 -0.82 2.32 2.04 -0.94 0.67 117.51 122.30 3b6n h ILE 140 Ca 0.08 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.38 3b6n h ILE 140 Cb 0.49 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 3b6n h ILE 140 CO 0.02 0.20 0.50 0.58 0.00 0.00 0.00 178.15 179.45 3b6n h VAL 141 N 0.20 1.01 -0.47 1.67 2.07 -1.13 0.42 116.25 120.02 3b6n h VAL 141 Ca 0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3b6n h VAL 141 Cb 0.24 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3b6n h VAL 141 CO -0.00 0.16 0.20 0.03 0.02 0.00 0.00 177.57 177.98 3b6n h ARG 142 N 0.90 0.69 -0.92 1.57 3.08 -0.91 0.55 114.38 119.33 3b6n h ARG 142 Ca 0.37 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.32 3b6n h ARG 142 Cb 0.20 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 3b6n h ARG 142 CO -0.19 0.60 0.61 -0.91 -1.07 0.00 0.00 179.97 179.02 3b6n h ASN 143 N 0.61 1.04 0.06 7.04 2.35 0.29 -2.10 115.58 124.87 3b6n h ASN 143 Ca 0.16 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3b6n h ASN 143 Cb 0.16 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3b6n h ASN 143 CO -0.02 0.74 -0.03 0.40 -1.65 0.00 0.00 177.43 176.87 3b6n h ILE 144 N 1.22 1.24 -0.55 2.81 2.04 -0.86 -2.73 117.51 120.67 3b6n h ILE 144 Ca 0.35 -1.47 0.05 0.00 1.00 0.00 0.00 64.86 64.79 3b6n h ILE 144 Cb -0.09 2.14 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3b6n h ILE 144 CO -0.09 0.34 -0.32 -1.20 0.00 0.00 0.00 178.15 176.88 3b6n n SER 145 N -4.81 -0.58 -0.15 1.72 7.64 0.18 -2.38 113.62 115.24 3b6n n SER 145 Ca -0.08 1.40 -0.08 0.00 1.01 0.00 0.00 58.87 61.12 3b6n n SER 145 Cb 0.31 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 3b6n n SER 145 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3b6n h SER 146 N 0.00 -1.23 0.47 6.43 0.87 -1.50 -0.68 113.55 117.91 3b6n h SER 146 Ca 0.09 0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 3b6n h SER 146 Cb 0.23 0.57 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3b6n h SER 146 CO -0.52 -0.33 -0.39 0.00 -0.53 0.00 0.00 176.83 175.06 3b6n h ALA 147 N 0.71 1.26 -0.01 6.23 0.00 -1.36 -2.88 119.26 123.21 3b6n h ALA 147 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3b6n h ALA 147 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3b6n h ALA 147 CO -0.59 0.49 -0.76 1.28 0.00 0.00 0.00 179.25 179.67 3b6n n LEU 148 N -3.94 1.45 -1.92 0.00 4.77 -1.00 -4.49 117.00 111.87 3b6n n LEU 148 Ca -0.02 -0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 55.25 3b6n n LEU 148 Cb 0.44 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3b6n n LEU 148 CO 0.38 0.30 0.09 0.61 -1.33 0.00 0.00 177.39 177.45 3b6n n GLY 149 N 1.46 0.24 3.47 -0.72 0.00 -0.34 -4.93 105.19 104.36 3b6n n GLY 149 Ca 0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3b6n n GLY 149 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b6n s ILE 150 N -3.15 1.04 0.49 -0.61 -4.36 -0.72 -5.05 121.20 108.84 3b6n s ILE 150 Ca 0.19 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.54 3b6n s ILE 150 Cb -0.08 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 3b6n s ILE 150 CO 0.32 0.00 0.78 -0.94 0.24 0.00 0.00 174.94 175.34 3b6n s SER 151 N -3.51 6.09 0.50 4.36 1.04 -1.26 -4.33 113.70 116.59 3b6n s SER 151 Ca 0.33 0.78 0.16 0.00 0.48 0.00 0.00 55.95 57.70 3b6n s SER 151 Cb 0.07 -2.05 1.22 0.00 0.10 0.00 0.00 66.02 65.36 3b6n s SER 151 CO 0.15 -0.66 2.10 -0.33 0.98 0.00 0.00 173.24 175.48 3b6n h GLU 152 N 0.21 0.10 0.00 4.02 5.08 -1.93 -1.06 114.58 121.00 3b6n h GLU 152 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3b6n h GLU 152 Cb 1.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3b6n h GLU 152 CO 0.61 0.07 0.00 -1.13 -1.00 0.00 0.00 179.01 177.56 3b6n n SER 153 N -4.50 0.00 -0.81 1.42 3.41 -1.26 -2.40 113.62 109.48 3b6n n SER 153 Ca 0.01 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.12 3b6n n SER 153 Cb 0.20 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 63.98 3b6n n SER 153 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b6n n GLN 154 N -1.44 2.11 -4.87 4.33 6.02 -0.40 -4.91 117.38 118.22 3b6n n GLN 154 Ca 0.05 -1.62 -0.32 0.00 -0.01 0.00 0.00 57.00 55.10 3b6n n GLN 154 Cb 0.17 -1.47 -0.17 0.00 1.02 0.00 0.00 30.24 29.80 3b6n n GLN 154 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3b6n s VAL 155 N -1.90 1.99 -0.02 5.09 1.01 -1.01 -0.77 120.40 124.79 3b6n s VAL 155 Ca 0.33 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3b6n s VAL 155 Cb 0.20 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3b6n s VAL 155 CO 0.31 0.54 -0.22 -0.44 0.00 0.00 0.00 175.10 175.29 3b6n s SER 156 N 0.64 2.60 -0.02 3.32 0.01 -0.35 -4.97 113.70 114.92 3b6n s SER 156 Ca -0.12 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 3b6n s SER 156 Cb -0.16 -0.33 0.01 0.00 0.21 0.00 0.00 66.02 65.75 3b6n s SER 156 CO 0.02 0.27 0.04 -0.22 0.41 0.00 0.00 173.24 173.76 3b6n s LEU 157 N -0.48 1.52 -0.12 2.44 2.96 -1.26 -0.04 118.68 123.71 3b6n s LEU 157 Ca 0.07 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.95 3b6n s LEU 157 Cb -0.09 0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.70 3b6n s LEU 157 CO -0.01 -0.06 0.31 -0.75 -1.32 0.00 0.00 176.35 174.52 3b6n s LYS 158 N 0.46 0.36 -0.12 1.98 2.47 -0.45 -4.96 119.74 119.47 3b6n s LYS 158 Ca -0.04 0.43 -0.02 0.00 -1.56 0.00 0.00 55.97 54.78 3b6n s LYS 158 Cb -0.05 0.17 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 3b6n s LYS 158 CO -0.01 -0.05 -0.03 0.20 0.16 0.00 0.00 175.35 175.62 3b6n s GLY 159 N 0.19 1.75 0.02 5.54 0.00 -1.26 -0.89 107.32 112.67 3b6n s GLY 159 Ca -0.00 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.94 3b6n s GLY 159 CO 0.00 -0.35 -0.16 0.54 0.00 0.00 0.00 173.10 173.14 3b6n s LYS 160 N -0.25 1.13 0.76 2.90 -0.14 -0.17 -4.97 119.74 119.01 3b6n s LYS 160 Ca 0.04 -0.73 -0.10 0.00 -1.36 0.00 0.00 55.97 53.83 3b6n s LYS 160 Cb -0.13 -1.15 0.07 0.00 -1.68 0.00 0.00 37.83 34.94 3b6n s LYS 160 CO 0.02 0.30 1.11 0.95 -0.76 0.00 0.00 175.35 176.97 3b6n s THR 161 N -0.67 2.29 -0.35 2.17 -4.23 -1.25 -1.38 115.64 112.22 3b6n s THR 161 Ca 0.04 -0.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.61 3b6n s THR 161 Cb -0.07 -3.06 0.71 0.00 1.34 0.00 0.00 72.50 71.41 3b6n s THR 161 CO 0.01 -0.08 1.75 1.57 -0.54 0.00 0.00 174.62 177.32 3b6n n HIS 162 N -3.14 2.33 -3.20 3.99 -0.00 -1.26 -4.71 115.22 109.22 3b6n n HIS 162 Ca 0.08 -1.13 -0.22 0.00 0.46 0.00 0.00 57.72 56.91 3b6n n HIS 162 Cb 0.60 -0.66 0.01 0.00 -0.12 0.00 0.00 29.99 29.82 3b6n n HIS 162 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3b6n n GLU 163 N -0.09 -3.72 -1.43 1.57 -0.58 -1.26 -1.70 120.64 113.43 3b6n n GLU 163 Ca 0.38 0.60 -0.15 0.00 -0.42 0.00 0.00 57.16 57.58 3b6n n GLU 163 Cb 1.33 -5.34 -0.06 0.00 -0.57 0.00 0.00 31.44 26.79 3b6n n GLU 163 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3b6n n GLN 164 N -3.74 -1.17 -4.02 3.49 6.02 -1.26 -5.00 117.38 111.69 3b6n n GLN 164 Ca -0.05 1.01 -0.36 0.00 -0.01 0.00 0.00 57.00 57.59 3b6n n GLN 164 Cb 0.57 -5.19 -0.07 0.00 1.02 0.00 0.00 30.24 26.56 3b6n n GLN 164 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3b6n s LEU 165 N -3.35 4.10 0.00 1.08 1.43 -0.69 -4.32 118.68 116.93 3b6n s LEU 165 Ca 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3b6n s LEU 165 Cb 0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3b6n s LEU 165 CO 0.00 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.56 3b6n n GLY 166 N 2.25 -2.02 0.33 -3.19 0.00 -1.26 -0.95 105.19 100.34 3b6n n GLY 166 Ca -0.19 -1.29 0.20 0.00 0.00 0.00 0.00 46.02 44.74 3b6n n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3b6n h PRO 167 N 0.00 0.31 -0.09 1.61 0.11 -1.96 0.12 132.00 132.10 3b6n h PRO 167 Ca 0.02 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3b6n h PRO 167 Cb 0.83 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3b6n h PRO 167 CO 0.01 0.20 -0.09 0.28 -0.21 0.00 0.00 178.00 178.19 3b6n h VAL 168 N 0.32 1.37 -0.68 3.15 2.07 -1.79 0.54 116.25 121.23 3b6n h VAL 168 Ca 0.67 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3b6n h VAL 168 Cb 1.45 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 3b6n h VAL 168 CO -0.61 0.36 0.45 1.23 0.02 0.00 0.00 177.57 179.02 3b6n h GLY 169 N -0.21 0.83 -0.36 2.17 0.00 0.03 -2.17 103.07 103.35 3b6n h GLY 169 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3b6n h GLY 169 CO 0.02 0.17 0.00 -1.06 0.00 0.00 0.00 176.54 175.67 3b6n n GLN 170 N -4.48 1.30 -1.99 4.80 6.02 0.31 -4.40 117.38 118.93 3b6n n GLN 170 Ca 0.11 -0.46 -0.10 0.00 -0.01 0.00 0.00 57.00 56.54 3b6n n GLN 170 Cb 0.30 -1.15 -0.01 0.00 1.02 0.00 0.00 30.24 30.39 3b6n n GLN 170 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3b6n n LYS 171 N -0.17 -0.80 0.02 -1.09 5.02 -0.82 -4.92 118.16 115.40 3b6n n LYS 171 Ca 0.07 0.58 0.11 0.00 -2.02 0.00 0.00 58.31 57.05 3b6n n LYS 171 Cb 0.12 -4.62 -0.02 0.00 -0.02 0.00 0.00 35.03 30.49 3b6n n LYS 171 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3b6n n LYS 172 N -2.15 0.27 -3.63 1.97 4.76 0.17 -4.37 118.16 115.18 3b6n n LYS 172 Ca -0.12 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.17 3b6n n LYS 172 Cb 0.54 -1.56 -0.05 0.00 -1.84 0.00 0.00 35.03 32.11 3b6n n LYS 172 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b6n s ALA 173 N -3.19 -1.08 0.06 7.82 0.00 -1.17 -0.72 121.76 123.47 3b6n s ALA 173 Ca 0.03 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3b6n s ALA 173 Cb 0.15 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 3b6n s ALA 173 CO 0.82 -0.53 -0.10 0.96 0.00 0.00 0.00 175.76 176.92 3b6n s ILE 174 N -2.86 0.73 0.20 0.00 -4.36 0.74 -4.49 121.20 111.16 3b6n s ILE 174 Ca -0.03 -1.20 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 3b6n s ILE 174 Cb -0.00 -0.82 -0.05 0.00 1.25 0.00 0.00 42.46 42.85 3b6n s ILE 174 CO -0.05 -0.36 0.07 -1.61 0.24 0.00 0.00 174.94 173.23 3b6n s GLU 175 N -1.77 1.22 -0.17 0.37 2.02 -0.79 -0.87 118.70 118.72 3b6n s GLU 175 Ca -0.06 -1.63 -0.13 0.00 0.02 0.00 0.00 54.97 53.17 3b6n s GLU 175 Cb -0.09 -0.09 0.05 0.00 0.10 0.00 0.00 34.13 34.10 3b6n s GLU 175 CO 0.01 -0.26 0.43 0.00 0.02 0.00 0.00 175.26 175.46 3b6n s PHE 177 N 0.63 2.80 0.03 0.00 0.08 -0.36 -1.17 117.98 119.99 3b6n s PHE 177 Ca -0.03 -0.90 0.06 0.00 0.12 0.00 0.00 56.93 56.17 3b6n s PHE 177 Cb -0.05 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3b6n s PHE 177 CO -0.04 -0.39 -0.18 0.00 -0.10 0.00 0.00 175.22 174.51 3b6n s ALA 178 N 0.70 1.52 0.01 5.36 0.00 -0.56 -0.77 121.76 128.03 3b6n s ALA 178 Ca -0.07 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3b6n s ALA 178 Cb -0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3b6n s ALA 178 CO 0.02 0.33 -0.16 -0.80 0.00 0.00 0.00 175.76 175.15 3b6n s ASN 179 N -1.03 1.88 -0.00 0.00 -0.87 -0.68 -0.51 114.94 113.73 3b6n s ASN 179 Ca 0.05 -0.38 0.02 0.00 -1.57 0.00 0.00 52.86 50.99 3b6n s ASN 179 Cb -0.08 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.25 40.97 3b6n s ASN 179 CO 0.01 0.14 -0.05 0.00 -2.57 0.00 0.00 177.10 174.62 3b6n s ALA 180 N -0.59 0.45 -0.15 0.60 0.00 -0.17 -1.37 121.76 120.54 3b6n s ALA 180 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 3b6n s ALA 180 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3b6n s ALA 180 CO 0.00 0.11 -0.05 -1.17 0.00 0.00 0.00 175.76 174.65 3b6n s LEU 181 N -0.14 3.17 0.12 0.00 2.96 -0.41 -0.85 118.68 123.53 3b6n s LEU 181 Ca 0.02 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.86 3b6n s LEU 181 Cb -0.02 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3b6n s LEU 181 CO -0.00 0.17 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.27 3b6n s LEU 182 N 0.38 2.77 -0.12 -0.68 1.43 0.26 -0.88 118.68 121.84 3b6n s LEU 182 Ca -0.05 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3b6n s LEU 182 Cb -0.14 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.49 3b6n s LEU 182 CO 0.03 0.18 -0.14 0.27 0.23 0.00 0.00 176.35 176.92 3b6n s ILE 183 N -1.16 1.49 0.02 -0.59 -5.25 0.12 -0.76 121.20 115.06 3b6n s ILE 183 Ca 0.19 -0.61 -0.37 0.00 -0.99 0.00 0.00 60.65 58.87 3b6n s ILE 183 Cb -0.11 -1.38 -0.16 0.00 2.95 0.00 0.00 42.46 43.76 3b6n s ILE 183 CO 0.11 0.44 1.50 0.54 -1.79 0.00 0.00 174.94 175.74 3b6n n ARG 184 N 4.49 1.41 -2.35 0.37 5.12 -0.14 -0.36 116.66 125.20 3b6n n ARG 184 Ca -0.18 0.51 -0.41 0.00 -1.93 0.00 0.00 57.85 55.84 3b6n n ARG 184 Cb 0.51 -2.20 -0.03 0.00 -1.16 0.00 0.00 32.46 29.57 3b6n n ARG 184 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3b6n s LYS 185 N 1.42 4.50 0.00 5.56 1.02 -0.32 -4.85 119.74 127.06 3b6n s LYS 185 Ca 0.87 1.91 0.00 0.00 0.02 0.00 0.00 55.97 58.77 3b6n s LYS 185 Cb -0.91 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 3b6n s LYS 185 CO 0.49 -0.06 0.00 0.00 -0.92 0.00 0.00 175.35 174.86