#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6n s SER 2 N 0.00 -0.01 0.19 7.28 0.15 -1.26 -3.21 113.70 116.83 1s6n s SER 2 Ca 0.00 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 55.90 1s6n s SER 2 Cb 0.00 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 1s6n s SER 2 CO 0.00 -0.91 0.08 -1.84 1.20 0.00 0.00 173.24 171.78 1s6n n GLU 3 N -0.22 0.64 -0.07 5.44 0.00 -1.26 -5.09 120.64 120.08 1s6n n GLU 3 Ca -0.09 -1.62 -0.12 0.00 0.00 0.00 0.00 57.16 55.33 1s6n n GLU 3 Cb 0.63 0.98 -0.04 0.00 0.00 0.00 0.00 31.44 33.01 1s6n n GLU 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1s6n n PHE 4 N -0.41 0.00 -0.13 -1.84 3.72 -1.26 -4.82 117.46 112.72 1s6n n PHE 4 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1s6n n PHE 4 Cb 0.29 -0.50 0.01 0.00 -0.94 0.00 0.00 39.48 38.34 1s6n n PHE 4 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1s6n h GLN 5 N -0.78 -0.15 -0.20 -1.08 -0.00 -2.01 -2.65 115.11 108.25 1s6n h GLN 5 Ca -0.16 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.52 1s6n h GLN 5 Cb 0.98 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.49 1s6n h GLN 5 CO -0.10 -0.10 0.14 1.25 -0.00 0.00 0.00 178.83 180.02 1s6n h LEU 6 N -0.15 0.16 -0.13 0.06 5.85 -2.00 -0.81 115.31 118.28 1s6n h LEU 6 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1s6n h LEU 6 Cb 0.47 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1s6n h LEU 6 CO -0.52 0.11 0.00 0.29 -0.34 0.00 0.00 178.44 177.98 1s6n n LYS 7 N -4.50 0.12 0.00 1.25 5.02 -1.00 -4.38 118.16 114.67 1s6n n LYS 7 Ca 0.01 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1s6n n LYS 7 Cb 0.14 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1s6n n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s6n n GLY 8 N 0.89 0.00 3.25 0.72 0.00 -0.31 -4.69 105.19 105.04 1s6n n GLY 8 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1s6n n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s6n n THR 9 N 0.00 2.57 -0.13 2.61 -2.24 -1.26 -4.76 114.28 111.06 1s6n n THR 9 Ca 0.00 -2.45 -0.08 0.00 -2.27 0.00 0.00 64.05 59.25 1s6n n THR 9 Cb 0.00 -2.34 0.01 0.00 -2.10 0.00 0.00 70.33 65.89 1s6n n THR 9 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1s6n h THR 10 N 5.04 1.10 -1.68 4.28 1.35 -1.96 -3.45 112.91 117.58 1s6n h THR 10 Ca 0.40 -0.19 -0.60 0.00 -0.55 0.00 0.00 66.41 65.47 1s6n h THR 10 Cb 0.77 0.49 -0.13 0.00 -1.73 0.00 0.00 68.15 67.56 1s6n h THR 10 CO 1.66 0.10 -0.56 -0.31 -0.25 0.00 0.00 175.52 176.16 1s6n s TYR 11 N -6.16 2.04 0.42 4.73 2.02 -1.26 -5.06 117.35 114.07 1s6n s TYR 11 Ca -0.13 -0.95 -0.22 0.00 -0.37 0.00 0.00 57.07 55.40 1s6n s TYR 11 Cb 0.11 -1.49 -0.10 0.00 -0.40 0.00 0.00 41.96 40.07 1s6n s TYR 11 CO 0.73 0.13 0.96 0.20 -1.57 0.00 0.00 175.55 176.00 1s6n s GLY 12 N -3.70 2.48 -0.46 0.71 0.00 -1.26 -4.28 107.32 100.81 1s6n s GLY 12 Ca 0.23 0.46 -0.27 0.00 0.00 0.00 0.00 44.72 45.14 1s6n s GLY 12 CO 0.12 0.78 1.83 0.54 0.00 0.00 0.00 173.10 176.37 1s6n s VAL 13 N -2.04 3.42 -0.05 1.40 0.11 -1.26 -0.34 120.40 121.63 1s6n s VAL 13 Ca 0.61 0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 59.72 1s6n s VAL 13 Cb -0.12 -3.77 0.09 0.00 -1.53 0.00 0.00 36.38 31.05 1s6n s VAL 13 CO 0.16 -0.63 0.77 0.00 -3.33 0.00 0.00 175.10 172.08 1s6n n SER 15 N 0.63 0.00 0.00 0.00 3.41 -1.26 -2.53 113.62 113.87 1s6n n SER 15 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1s6n n SER 15 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1s6n n SER 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1s6n n LYS 16 N -0.86 0.00 -3.36 4.33 4.81 -1.26 -4.25 118.16 117.57 1s6n n LYS 16 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1s6n n LYS 16 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1s6n n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6n n ALA 17 N 0.00 3.05 -2.56 3.14 0.00 -1.26 -5.05 120.51 117.83 1s6n n ALA 17 Ca 0.00 -3.84 -0.24 0.00 0.00 0.00 0.00 53.44 49.37 1s6n n ALA 17 Cb 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 1s6n n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6n s PHE 18 N -1.35 2.53 -0.01 0.00 0.08 -1.26 -0.26 117.98 117.71 1s6n s PHE 18 Ca 0.35 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 1s6n s PHE 18 Cb 0.12 -1.18 -0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1s6n s PHE 18 CO -0.10 0.63 0.06 0.21 -0.10 0.00 0.00 175.22 175.91 1s6n s LYS 19 N -3.63 0.21 0.51 0.44 2.20 0.09 -4.80 119.74 114.76 1s6n s LYS 19 Ca 0.32 -0.16 -0.21 0.00 -0.36 0.00 0.00 55.97 55.55 1s6n s LYS 19 Cb -0.05 0.09 -0.06 0.00 -1.51 0.00 0.00 37.83 36.30 1s6n s LYS 19 CO 0.18 -0.04 1.19 -0.06 -0.36 0.00 0.00 175.35 176.27 1s6n s PHE 20 N -0.58 2.68 0.00 4.03 0.08 -1.26 -0.33 117.98 122.59 1s6n s PHE 20 Ca -0.07 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.50 1s6n s PHE 20 Cb -0.04 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1s6n s PHE 20 CO 0.00 -1.83 0.00 -0.11 -0.10 0.00 0.00 175.22 173.18 1s6n n LEU 21 N -0.89 0.78 -3.77 -0.37 -0.00 0.11 -4.74 117.00 108.12 1s6n n LEU 21 Ca 0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.83 1s6n n LEU 21 Cb 0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.74 1s6n n LEU 21 CO 0.47 0.07 -0.38 -0.83 -0.00 0.00 0.00 177.39 176.72 1s6n s GLY 22 N -4.62 0.79 0.54 -3.96 0.00 -0.15 -4.97 107.32 94.95 1s6n s GLY 22 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 44.72 43.73 1s6n s GLY 22 CO 0.00 1.33 1.24 -0.37 0.00 0.00 0.00 173.10 175.29 1s6n n THR 23 N 4.99 3.64 -1.25 0.90 5.66 -1.26 -0.98 114.28 125.98 1s6n n THR 23 Ca -0.09 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.07 1s6n n THR 23 Cb 0.47 -1.50 0.11 0.00 -1.55 0.00 0.00 70.33 67.86 1s6n n THR 23 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1s6n s PRO 24 N -2.75 1.84 0.01 1.09 0.02 -1.26 -4.80 135.00 129.15 1s6n s PRO 24 Ca 0.71 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.50 1s6n s PRO 24 Cb -0.44 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 1s6n s PRO 24 CO 0.50 -2.06 -0.03 0.00 -0.33 0.00 0.00 177.00 175.07 1s6n s ALA 25 N -2.08 0.22 0.16 -1.55 0.00 0.09 -4.98 121.76 113.61 1s6n s ALA 25 Ca 0.74 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1s6n s ALA 25 Cb -0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 1s6n s ALA 25 CO 0.49 0.01 1.30 0.34 0.00 0.00 0.00 175.76 177.90 1s6n s ASP 26 N -0.43 6.92 0.34 0.00 2.15 -1.26 -0.59 116.67 123.79 1s6n s ASP 26 Ca -0.03 2.31 0.18 0.00 0.43 0.00 0.00 52.55 55.44 1s6n s ASP 26 Cb -0.03 -2.60 0.31 0.00 -0.30 0.00 0.00 42.92 40.30 1s6n s ASP 26 CO -0.00 -0.54 1.56 0.71 -0.17 0.00 0.00 175.17 176.73 1s6n h THR 27 N 3.99 0.70 0.00 1.71 1.35 -1.37 -3.47 112.91 115.83 1s6n h THR 27 Ca -0.44 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1s6n h THR 27 Cb 1.21 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 1s6n h THR 27 CO 0.80 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 1s6n n GLY 28 N 0.94 2.37 0.04 5.82 0.00 -1.26 -4.86 105.19 108.24 1s6n n GLY 28 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1s6n n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s6n n HIS 29 N -2.00 0.31 0.00 1.61 8.25 -1.26 -4.90 115.22 117.23 1s6n n HIS 29 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1s6n n HIS 29 Cb 0.00 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1s6n n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s6n n GLY 30 N 0.75 1.50 3.92 -1.41 0.00 -1.26 -5.08 105.19 103.61 1s6n n GLY 30 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1s6n n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6n s THR 31 N -2.37 2.21 -0.17 2.61 -4.23 -1.26 -4.50 115.64 107.93 1s6n s THR 31 Ca 0.00 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 1s6n s THR 31 Cb 0.00 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1s6n s THR 31 CO 0.00 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.65 1s6n s VAL 32 N -3.32 3.01 -0.04 2.29 -7.23 0.23 -0.89 120.40 114.45 1s6n s VAL 32 Ca 0.61 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 1s6n s VAL 32 Cb -0.11 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1s6n s VAL 32 CO 0.46 0.49 1.02 0.68 -0.31 0.00 0.00 175.10 177.43 1s6n s VAL 33 N 0.95 4.73 0.06 1.32 -7.23 0.24 -0.63 120.40 119.84 1s6n s VAL 33 Ca -0.02 1.98 0.00 0.00 -1.81 0.00 0.00 61.98 62.13 1s6n s VAL 33 Cb -0.15 -4.27 -0.04 0.00 0.56 0.00 0.00 36.38 32.48 1s6n s VAL 33 CO -0.01 0.09 -0.04 -1.48 -0.31 0.00 0.00 175.10 173.35 1s6n s LEU 34 N 1.45 2.48 -0.03 1.32 -0.00 0.13 -0.73 118.68 123.30 1s6n s LEU 34 Ca 0.51 -0.97 0.02 0.00 -0.00 0.00 0.00 54.13 53.70 1s6n s LEU 34 Cb -0.21 0.10 0.00 0.00 -0.00 0.00 0.00 46.19 46.08 1s6n s LEU 34 CO 0.24 -0.53 -0.09 -0.70 -0.00 0.00 0.00 176.35 175.27 1s6n s GLU 35 N -3.72 0.99 0.30 1.48 2.12 -0.16 -0.73 118.70 118.98 1s6n s GLU 35 Ca 0.07 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.14 1s6n s GLU 35 Cb 0.06 -0.92 -0.06 0.00 0.26 0.00 0.00 34.13 33.47 1s6n s GLU 35 CO -0.08 0.10 0.02 -0.51 -0.54 0.00 0.00 175.26 174.26 1s6n s LEU 36 N 0.25 2.24 0.09 2.70 1.02 -0.97 -0.71 118.68 123.30 1s6n s LEU 36 Ca -0.04 -1.31 0.09 0.00 0.02 0.00 0.00 54.13 52.89 1s6n s LEU 36 Cb -0.09 -0.41 -0.03 0.00 0.02 0.00 0.00 46.19 45.68 1s6n s LEU 36 CO 0.01 -0.54 -0.22 0.00 0.02 0.00 0.00 176.35 175.62 1s6n s GLN 37 N -3.85 1.29 -0.43 1.70 -2.07 0.55 -0.56 119.66 116.29 1s6n s GLN 37 Ca 0.33 -1.13 -0.17 0.00 -1.82 0.00 0.00 55.36 52.58 1s6n s GLN 37 Cb 0.07 -1.55 0.03 0.00 -1.09 0.00 0.00 33.01 30.47 1s6n s GLN 37 CO 0.13 0.38 0.43 -0.47 -1.32 0.00 0.00 175.29 174.43 1s6n s TYR 38 N -1.02 3.18 -2.35 9.60 5.04 0.06 -0.73 117.35 131.13 1s6n s TYR 38 Ca 0.08 -0.51 0.28 0.00 -2.44 0.00 0.00 57.07 54.49 1s6n s TYR 38 Cb -0.10 -2.94 1.22 0.00 0.35 0.00 0.00 41.96 40.49 1s6n s TYR 38 CO 0.04 -0.73 1.83 0.25 -1.34 0.00 0.00 175.55 175.60 1s6n n THR 39 N 5.37 0.02 -3.81 4.34 -2.24 0.65 -4.43 114.28 114.18 1s6n n THR 39 Ca -0.09 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 1s6n n THR 39 Cb 0.47 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1s6n n THR 39 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s6n s GLY 40 N -1.95 2.27 -0.03 3.38 0.00 -1.20 -5.00 107.32 104.80 1s6n s GLY 40 Ca 0.39 -1.72 0.05 0.00 0.00 0.00 0.00 44.72 43.44 1s6n s GLY 40 CO 0.33 -1.84 1.07 2.41 0.00 0.00 0.00 173.10 175.08 1s6n n THR 41 N -1.56 1.17 -3.82 0.90 -1.04 -1.26 -4.56 114.28 104.12 1s6n n THR 41 Ca 0.01 -1.22 -0.08 0.00 -2.04 0.00 0.00 64.05 60.72 1s6n n THR 41 Cb 0.63 0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 69.49 1s6n n THR 41 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1s6n n ASP 42 N -0.48 -0.78 -1.18 8.00 5.75 -1.24 -4.67 116.55 121.95 1s6n n ASP 42 Ca 0.05 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1s6n n ASP 42 Cb 0.36 1.44 0.00 0.00 -1.03 0.00 0.00 41.12 41.89 1s6n n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s6n n GLY 43 N -0.32 0.78 3.53 6.12 0.00 -1.26 -4.69 105.19 109.34 1s6n n GLY 43 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1s6n n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s6n n PRO 44 N -1.18 0.39 -4.07 1.61 -0.02 -1.26 -4.83 135.00 125.64 1s6n n PRO 44 Ca 0.00 -0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1s6n n PRO 44 Cb 0.44 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1s6n n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6n s LYS 46 N -4.06 3.05 -0.13 0.00 2.20 0.54 0.26 119.74 121.59 1s6n s LYS 46 Ca 0.28 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 1s6n s LYS 46 Cb 0.03 -4.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.06 1s6n s LYS 46 CO 0.08 -1.42 1.90 0.54 -0.36 0.00 0.00 175.35 176.10 1s6n s VAL 47 N 2.44 3.28 -1.04 4.02 0.11 -1.05 -1.47 120.40 126.69 1s6n s VAL 47 Ca 0.10 0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 59.24 1s6n s VAL 47 Cb -0.24 -3.27 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1s6n s VAL 47 CO 0.07 -0.11 1.57 -2.16 -3.33 0.00 0.00 175.10 171.14 1s6n s PRO 48 N 5.05 3.47 -0.00 1.54 0.04 -1.26 -4.61 135.00 139.22 1s6n s PRO 48 Ca 0.85 -1.12 0.01 0.00 0.04 0.00 0.00 61.00 60.78 1s6n s PRO 48 Cb -0.33 -5.34 -0.04 0.00 0.04 0.00 0.00 34.50 28.83 1s6n s PRO 48 CO 0.35 -2.43 0.03 -1.50 0.04 0.00 0.00 177.00 173.49 1s6n s ILE 49 N 5.75 4.34 0.19 0.56 2.07 -1.26 -0.45 121.20 132.41 1s6n s ILE 49 Ca 0.51 -0.54 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1s6n s ILE 49 Cb -0.00 -2.95 -0.02 0.00 0.13 0.00 0.00 42.46 39.62 1s6n s ILE 49 CO -0.06 0.37 0.27 -0.55 -1.91 0.00 0.00 174.94 173.06 1s6n s SER 50 N -1.61 0.06 -0.16 4.50 0.15 0.23 -4.95 113.70 111.93 1s6n s SER 50 Ca 0.20 -1.07 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 1s6n s SER 50 Cb -0.12 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 1s6n s SER 50 CO 0.11 -0.93 0.09 -0.55 1.20 0.00 0.00 173.24 173.16 1s6n s SER 51 N -3.04 2.24 0.10 5.45 0.15 -1.26 -2.51 113.70 114.83 1s6n s SER 51 Ca 0.25 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1s6n s SER 51 Cb 0.04 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1s6n s SER 51 CO 0.06 -0.34 -0.03 0.68 1.20 0.00 0.00 173.24 174.81 1s6n s VAL 52 N 2.13 0.49 -1.27 4.45 -7.23 -0.53 -0.60 120.40 117.85 1s6n s VAL 52 Ca 0.02 -1.91 0.23 0.00 -1.81 0.00 0.00 61.98 58.51 1s6n s VAL 52 Cb -0.16 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.92 1s6n s VAL 52 CO -0.08 -0.79 1.09 0.00 -0.31 0.00 0.00 175.10 175.01 1s6n n ALA 53 N -0.04 4.15 -2.51 1.32 0.00 -1.26 0.00 120.51 122.17 1s6n n ALA 53 Ca -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 1s6n n ALA 53 Cb 0.62 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 19.25 1s6n n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s6n n SER 54 N -1.14 -0.73 0.00 0.00 7.64 -1.26 -4.20 113.62 113.92 1s6n n SER 54 Ca 0.06 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1s6n n SER 54 Cb 0.36 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1s6n n SER 54 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s6n n LEU 55 N -0.86 0.95 -1.84 -3.43 4.77 -1.26 -4.87 117.00 110.46 1s6n n LEU 55 Ca -0.15 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1s6n n LEU 55 Cb 0.84 -2.24 -0.01 0.00 -2.33 0.00 0.00 43.42 39.68 1s6n n LEU 55 CO -0.11 -0.87 0.44 -0.46 -1.33 0.00 0.00 177.39 175.05 1s6n n ASN 56 N -0.67 2.12 0.00 -1.43 6.94 -1.26 -4.77 115.26 116.20 1s6n n ASN 56 Ca 0.00 -1.59 0.03 0.00 -0.02 0.00 0.00 54.58 53.00 1s6n n ASN 56 Cb 0.40 -0.46 0.16 0.00 -2.36 0.00 0.00 39.78 37.52 1s6n n ASN 56 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1s6n n ASP 57 N 1.88 0.00 0.26 0.53 2.03 -1.26 -0.84 116.55 119.15 1s6n n ASP 57 Ca 0.01 -0.19 0.17 0.00 0.52 0.00 0.00 54.79 55.31 1s6n n ASP 57 Cb 0.21 0.00 0.78 0.00 -0.72 0.00 0.00 41.12 41.40 1s6n n ASP 57 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1s6n h LEU 58 N 0.00 0.00 -7.35 -2.67 8.10 -2.02 -3.40 115.31 107.97 1s6n h LEU 58 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.39 1s6n h LEU 58 Cb 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 39.82 1s6n h LEU 58 CO 0.00 0.00 -0.75 -0.89 -4.11 0.00 0.00 178.44 172.69 1s6n s THR 59 N -3.72 1.29 -0.10 0.15 2.01 -0.02 -5.11 115.64 110.14 1s6n s THR 59 Ca -0.00 -1.59 -0.29 0.00 0.31 0.00 0.00 61.69 60.11 1s6n s THR 59 Cb 0.10 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1s6n s THR 59 CO 0.46 -0.58 1.72 -2.16 -0.69 0.00 0.00 174.62 173.37 1s6n s PRO 60 N 1.42 3.99 -0.16 4.92 0.04 -1.26 -4.87 135.00 139.09 1s6n s PRO 60 Ca 0.08 2.07 0.15 0.00 0.04 0.00 0.00 61.00 63.34 1s6n s PRO 60 Cb -0.18 -4.05 -0.24 0.00 0.04 0.00 0.00 34.50 30.08 1s6n s PRO 60 CO -0.18 -1.08 0.23 0.28 0.04 0.00 0.00 177.00 176.30 1s6n n VAL 61 N 5.92 1.47 -2.68 -0.36 0.31 -0.72 -4.56 118.33 117.71 1s6n n VAL 61 Ca 0.19 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1s6n n VAL 61 Cb 0.43 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1s6n n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s6n n GLY 62 N 1.73 2.85 3.21 2.92 0.00 0.23 -0.18 105.19 115.95 1s6n n GLY 62 Ca -0.29 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 1s6n n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 63 N 0.45 1.20 -0.35 1.61 1.70 -1.20 -4.29 118.95 118.06 1s6n s ARG 63 Ca 0.00 -1.63 -0.19 0.00 -0.47 0.00 0.00 55.73 53.44 1s6n s ARG 63 Cb 0.00 0.22 -0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1s6n s ARG 63 CO 0.00 -0.37 0.55 -0.51 -1.08 0.00 0.00 175.30 173.89 1s6n s LEU 64 N -3.17 4.32 -0.18 -1.89 2.01 -1.26 -0.65 118.68 117.87 1s6n s LEU 64 Ca 0.38 0.02 -0.20 0.00 0.01 0.00 0.00 54.13 54.34 1s6n s LEU 64 Cb 0.07 -2.65 -0.18 0.00 0.01 0.00 0.00 46.19 43.45 1s6n s LEU 64 CO 0.11 -0.52 0.28 0.58 1.01 0.00 0.00 176.35 177.82 1s6n h VAL 65 N 5.63 0.95 -0.55 -1.59 2.07 -1.31 -3.41 116.25 118.05 1s6n h VAL 65 Ca -0.27 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.25 1s6n h VAL 65 Cb 1.12 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1s6n h VAL 65 CO 0.79 0.32 0.34 0.74 0.02 0.00 0.00 177.57 179.78 1s6n h THR 66 N -1.00 1.16 -2.91 2.57 2.02 -1.88 -3.47 112.91 109.40 1s6n h THR 66 Ca -0.20 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1s6n h THR 66 Cb 1.05 0.41 -0.13 0.00 -1.74 0.00 0.00 68.15 67.74 1s6n h THR 66 CO -0.12 0.16 0.20 0.54 0.37 0.00 0.00 175.52 176.67 1s6n s VAL 67 N -6.01 0.00 0.10 3.16 0.11 -1.26 -5.05 120.40 111.45 1s6n s VAL 67 Ca -0.13 -0.01 -0.34 0.00 -2.93 0.00 0.00 61.98 58.57 1s6n s VAL 67 Cb 0.12 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.84 1s6n s VAL 67 CO 0.75 -0.01 1.68 -3.20 -3.33 0.00 0.00 175.10 170.99 1s6n n ASN 68 N -0.25 3.28 -4.56 3.54 2.85 -1.26 -4.86 115.26 114.00 1s6n n ASN 68 Ca -0.17 1.05 -0.34 0.00 -0.11 0.00 0.00 54.58 55.00 1s6n n ASN 68 Cb 0.64 -1.43 -0.04 0.00 1.24 0.00 0.00 39.78 40.20 1s6n n ASN 68 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1s6n s PRO 69 N 1.84 3.10 -0.04 1.20 0.04 -1.26 -4.91 135.00 134.97 1s6n s PRO 69 Ca 0.82 -0.76 -0.05 0.00 0.04 0.00 0.00 61.00 61.05 1s6n s PRO 69 Cb -0.66 -5.22 0.01 0.00 0.04 0.00 0.00 34.50 28.66 1s6n s PRO 69 CO 0.41 -2.79 0.14 -0.59 0.04 0.00 0.00 177.00 174.21 1s6n s PHE 70 N 7.44 -0.09 -1.07 0.56 -0.71 -1.26 -3.39 117.98 119.46 1s6n s PHE 70 Ca 0.58 0.23 -0.22 0.00 -1.04 0.00 0.00 56.93 56.47 1s6n s PHE 70 Cb -0.03 0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.82 1s6n s PHE 70 CO -0.05 -0.13 1.68 0.08 -1.34 0.00 0.00 175.22 175.46 1s6n s VAL 71 N -0.34 3.81 0.54 -2.49 1.01 0.14 -4.84 120.40 118.24 1s6n s VAL 71 Ca -0.04 -0.94 0.20 0.00 0.00 0.00 0.00 61.98 61.20 1s6n s VAL 71 Cb -0.03 -4.79 0.29 0.00 0.00 0.00 0.00 36.38 31.85 1s6n s VAL 71 CO 0.00 -1.62 2.18 0.77 0.00 0.00 0.00 175.10 176.43 1s6n h SER 72 N 9.65 0.00 -5.13 3.32 4.64 -1.91 -2.38 113.55 121.74 1s6n h SER 72 Ca 0.23 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 1s6n h SER 72 Cb 0.97 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.93 1s6n h SER 72 CO 1.36 0.00 -0.19 0.68 -0.87 0.00 0.00 176.83 177.81 1s6n s VAL 73 N -4.95 0.09 0.53 0.95 -7.23 -1.26 -4.89 120.40 103.64 1s6n s VAL 73 Ca -0.05 -0.90 0.21 0.00 -1.81 0.00 0.00 61.98 59.43 1s6n s VAL 73 Cb 0.16 -1.35 0.29 0.00 0.56 0.00 0.00 36.38 36.04 1s6n s VAL 73 CO 0.64 -0.40 2.16 0.00 -0.31 0.00 0.00 175.10 177.18 1s6n h ALA 74 N 2.50 1.75 0.00 1.32 0.00 -1.87 -2.06 119.26 120.90 1s6n h ALA 74 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1s6n h ALA 74 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s6n h ALA 74 CO 0.49 0.04 0.00 0.25 0.00 0.00 0.00 179.25 180.03 1s6n n THR 75 N -4.21 0.00 0.34 0.00 -2.24 -1.26 -3.65 114.28 103.26 1s6n n THR 75 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1s6n n THR 75 Cb 0.12 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1s6n n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6n n ALA 76 N -0.73 1.54 0.27 6.98 0.00 -0.77 -4.54 120.51 123.24 1s6n n ALA 76 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1s6n n ALA 76 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1s6n n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s6n n ASN 77 N -0.08 0.14 -4.80 0.00 4.13 -1.26 -4.55 115.26 108.84 1s6n n ASN 77 Ca 0.00 -0.41 -0.29 0.00 1.68 0.00 0.00 54.58 55.56 1s6n n ASN 77 Cb 0.03 -0.07 0.13 0.00 -1.54 0.00 0.00 39.78 38.32 1s6n n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s6n s ALA 78 N -1.30 1.90 -0.33 5.41 0.00 -1.26 -4.54 121.76 121.63 1s6n s ALA 78 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 1s6n s ALA 78 Cb 0.00 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.12 1s6n s ALA 78 CO 0.00 -2.18 0.11 0.21 0.00 0.00 0.00 175.76 173.90 1s6n s LYS 79 N -5.30 2.75 -0.04 0.00 2.36 -1.26 -0.76 119.74 117.48 1s6n s LYS 79 Ca 0.63 -1.09 -0.00 0.00 -2.55 0.00 0.00 55.97 52.96 1s6n s LYS 79 Cb -0.14 -3.47 0.03 0.00 -1.05 0.00 0.00 37.83 33.19 1s6n s LYS 79 CO 0.53 -0.62 -0.00 0.54 1.55 0.00 0.00 175.35 177.35 1s6n s VAL 80 N 1.44 0.27 -0.09 4.02 0.11 0.28 -4.99 120.40 121.44 1s6n s VAL 80 Ca -0.00 0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 1s6n s VAL 80 Cb -0.19 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1s6n s VAL 80 CO 0.03 0.19 0.51 -0.22 -3.33 0.00 0.00 175.10 172.29 1s6n s LEU 81 N 1.32 4.30 0.01 2.54 0.20 -1.26 -2.28 118.68 123.51 1s6n s LEU 81 Ca -0.05 0.90 0.03 0.00 0.69 0.00 0.00 54.13 55.69 1s6n s LEU 81 Cb -0.13 -2.76 -0.01 0.00 -0.43 0.00 0.00 46.19 42.86 1s6n s LEU 81 CO -0.02 0.01 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.33 1s6n s ILE 82 N 0.48 0.66 -0.00 6.68 1.01 0.09 -4.98 121.20 125.13 1s6n s ILE 82 Ca 0.28 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.16 1s6n s ILE 82 Cb -0.16 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 1s6n s ILE 82 CO 0.12 0.04 0.60 -1.61 0.00 0.00 0.00 174.94 174.08 1s6n s GLU 83 N -0.59 4.31 0.24 2.79 2.02 -1.26 -0.69 118.70 125.53 1s6n s GLU 83 Ca 0.00 0.74 0.11 0.00 0.02 0.00 0.00 54.97 55.84 1s6n s GLU 83 Cb -0.05 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 1s6n s GLU 83 CO 0.00 0.37 -0.16 -0.51 0.02 0.00 0.00 175.26 174.98 1s6n s LEU 84 N -0.21 2.71 -0.38 1.80 1.02 0.19 -0.84 118.68 122.97 1s6n s LEU 84 Ca 0.31 -0.86 -0.21 0.00 0.02 0.00 0.00 54.13 53.40 1s6n s LEU 84 Cb -0.18 -1.30 0.01 0.00 0.02 0.00 0.00 46.19 44.73 1s6n s LEU 84 CO 0.17 0.06 0.64 -0.70 0.02 0.00 0.00 176.35 176.55 1s6n s GLU 85 N -3.23 3.58 -0.15 1.70 2.12 0.18 -0.60 118.70 122.29 1s6n s GLU 85 Ca 0.27 -0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 1s6n s GLU 85 Cb -0.07 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 1s6n s GLU 85 CO 0.15 -0.81 1.05 -1.25 -0.54 0.00 0.00 175.26 173.86 1s6n s PRO 86 N 2.76 4.34 0.91 4.30 0.04 -1.26 -3.63 135.00 142.47 1s6n s PRO 86 Ca 0.24 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1s6n s PRO 86 Cb -0.14 -3.60 0.14 0.00 0.04 0.00 0.00 34.50 30.94 1s6n s PRO 86 CO 0.16 -0.48 1.09 -1.25 0.04 0.00 0.00 177.00 176.57 1s6n s PRO 87 N 2.60 1.09 0.32 0.56 0.04 -1.26 -4.92 135.00 133.42 1s6n s PRO 87 Ca 0.48 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 1s6n s PRO 87 Cb -0.18 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1s6n s PRO 87 CO 0.13 -2.39 0.91 -0.06 0.04 0.00 0.00 177.00 175.63 1s6n s PHE 88 N -2.84 3.65 0.00 0.56 0.08 -1.26 -4.49 117.98 113.67 1s6n s PHE 88 Ca 0.64 1.70 0.00 0.00 0.12 0.00 0.00 56.93 59.39 1s6n s PHE 88 Cb -0.19 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1s6n s PHE 88 CO 0.58 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 176.31 1s6n n GLY 89 N 0.46 0.89 3.82 4.36 0.00 0.68 -4.94 105.19 110.46 1s6n n GLY 89 Ca 0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1s6n n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s6n s ASP 90 N -4.00 4.50 -0.33 1.61 1.01 -1.26 -0.56 116.67 117.64 1s6n s ASP 90 Ca 0.00 -1.22 0.04 0.00 0.71 0.00 0.00 52.55 52.08 1s6n s ASP 90 Cb 0.00 0.04 0.17 0.00 1.01 0.00 0.00 42.92 44.13 1s6n s ASP 90 CO 0.00 -0.83 0.45 -0.44 0.21 0.00 0.00 175.17 174.57 1s6n s SER 91 N -4.07 0.09 -0.20 0.27 0.01 0.39 -4.42 113.70 105.77 1s6n s SER 91 Ca 0.33 -0.66 -0.14 0.00 1.31 0.00 0.00 55.95 56.79 1s6n s SER 91 Cb 0.01 1.20 -0.04 0.00 0.21 0.00 0.00 66.02 67.39 1s6n s SER 91 CO 0.19 -0.30 0.29 -0.31 0.41 0.00 0.00 173.24 173.52 1s6n s TYR 92 N 2.21 3.39 -0.51 2.43 2.02 0.10 -0.36 117.35 126.64 1s6n s TYR 92 Ca 0.12 0.50 -0.05 0.00 -0.37 0.00 0.00 57.07 57.27 1s6n s TYR 92 Cb -0.11 -2.38 0.13 0.00 -0.40 0.00 0.00 41.96 39.20 1s6n s TYR 92 CO -0.20 0.12 0.34 0.42 -1.57 0.00 0.00 175.55 174.65 1s6n s ILE 93 N 0.89 3.81 -0.05 2.71 -1.09 -0.25 -1.45 121.20 125.77 1s6n s ILE 93 Ca 0.15 -2.23 -0.10 0.00 -2.23 0.00 0.00 60.65 56.23 1s6n s ILE 93 Cb -0.14 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1s6n s ILE 93 CO 0.05 -0.79 0.27 -0.69 -1.23 0.00 0.00 174.94 172.55 1s6n s VAL 94 N 0.84 5.29 -0.31 2.92 1.01 -1.04 -0.53 120.40 128.58 1s6n s VAL 94 Ca 0.10 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1s6n s VAL 94 Cb -0.22 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.71 1s6n s VAL 94 CO -0.03 0.56 0.12 -0.69 0.00 0.00 0.00 175.10 175.06 1s6n s VAL 95 N -1.10 0.45 0.00 2.92 1.01 0.26 -0.60 120.40 123.35 1s6n s VAL 95 Ca 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1s6n s VAL 95 Cb -0.14 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1s6n s VAL 95 CO 0.10 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1s6n n GLY 96 N 4.95 1.97 2.76 4.51 0.00 0.41 -0.29 105.19 119.50 1s6n n GLY 96 Ca -0.03 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 1s6n n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 97 N -2.00 0.31 0.00 1.61 1.70 0.27 -4.71 118.95 116.13 1s6n s ARG 97 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1s6n s ARG 97 Cb 0.00 -0.66 0.00 0.00 -0.57 0.00 0.00 34.95 33.72 1s6n s ARG 97 CO 0.00 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 1s6n n GLY 98 N 4.79 0.55 0.19 3.88 0.00 -1.26 -0.80 105.19 112.53 1s6n n GLY 98 Ca -0.14 0.64 0.14 0.00 0.00 0.00 0.00 46.02 46.66 1s6n n GLY 98 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s6n h GLU 99 N 0.00 0.00 -4.11 1.61 9.09 -2.04 -3.40 114.58 115.72 1s6n h GLU 99 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.79 1s6n h GLU 99 Cb 0.00 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 26.70 1s6n h GLU 99 CO 0.00 0.00 -0.73 1.14 0.05 0.00 0.00 179.01 179.47 1s6n s GLN 100 N -3.44 1.14 0.04 1.06 -2.07 0.02 -5.11 119.66 111.30 1s6n s GLN 100 Ca 0.04 -1.54 -0.02 0.00 -1.82 0.00 0.00 55.36 52.01 1s6n s GLN 100 Cb 0.09 -2.64 -0.03 0.00 -1.09 0.00 0.00 33.01 29.34 1s6n s GLN 100 CO 0.48 -0.97 0.02 1.14 -1.32 0.00 0.00 175.29 174.64 1s6n s GLN 101 N 1.18 0.55 0.13 9.60 1.03 -1.26 -0.56 119.66 130.33 1s6n s GLN 101 Ca 0.11 -0.94 -0.03 0.00 0.04 0.00 0.00 55.36 54.54 1s6n s GLN 101 Cb -0.18 0.20 -0.03 0.00 0.03 0.00 0.00 33.01 33.02 1s6n s GLN 101 CO -0.15 -0.11 0.11 0.96 -2.54 0.00 0.00 175.29 173.55 1s6n s ILE 102 N -2.99 0.10 0.11 3.63 -4.36 0.60 -4.97 121.20 113.32 1s6n s ILE 102 Ca -0.02 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 58.49 1s6n s ILE 102 Cb 0.01 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.79 1s6n s ILE 102 CO -0.06 -0.47 0.29 0.54 0.24 0.00 0.00 174.94 175.47 1s6n s ASN 103 N -3.02 -0.03 0.32 4.36 2.20 -1.26 -0.57 114.94 116.94 1s6n s ASN 103 Ca 0.21 -0.55 0.03 0.00 -0.94 0.00 0.00 52.86 51.61 1s6n s ASN 103 Cb 0.06 0.41 -0.05 0.00 -2.00 0.00 0.00 41.25 39.67 1s6n s ASN 103 CO 0.00 -0.81 0.08 -1.00 -2.94 0.00 0.00 177.10 172.44 1s6n s HIS 104 N -3.85 1.82 0.03 1.54 3.76 0.32 -4.99 115.29 113.91 1s6n s HIS 104 Ca 0.06 -1.09 0.05 0.00 -0.15 0.00 0.00 55.06 53.93 1s6n s HIS 104 Cb 0.03 -1.15 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 1s6n s HIS 104 CO -0.10 -0.15 -0.15 -1.01 -0.85 0.00 0.00 174.74 172.48 1s6n s HIS 105 N -3.40 1.31 0.16 1.40 3.76 -1.26 -1.09 115.29 116.16 1s6n s HIS 105 Ca 0.34 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 54.82 1s6n s HIS 105 Cb 0.07 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.97 1s6n s HIS 105 CO 0.15 0.03 0.32 -0.46 -0.85 0.00 0.00 174.74 173.93 1s6n s TRP 106 N -0.71 0.23 -0.17 1.40 -0.00 0.51 -4.81 118.94 115.39 1s6n s TRP 106 Ca 0.03 -0.59 -0.04 0.00 -0.00 0.00 0.00 56.10 55.50 1s6n s TRP 106 Cb -0.07 0.05 0.08 0.00 -0.00 0.00 0.00 33.47 33.53 1s6n s TRP 106 CO 0.01 -0.73 0.24 -1.01 -0.00 0.00 0.00 176.95 175.46 1s6n s HIS 107 N -3.92 -0.37 -0.33 5.86 3.76 -1.26 -0.46 115.29 118.56 1s6n s HIS 107 Ca 0.13 0.58 0.03 0.00 -0.15 0.00 0.00 55.06 55.65 1s6n s HIS 107 Cb 0.03 -0.20 0.16 0.00 1.11 0.00 0.00 32.58 33.68 1s6n s HIS 107 CO -0.03 -0.50 0.44 0.21 -0.85 0.00 0.00 174.74 174.01 1s6n s LYS 108 N 2.38 0.53 -0.40 1.40 2.20 0.27 -4.94 119.74 121.19 1s6n s LYS 108 Ca 0.05 -0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.35 1s6n s LYS 108 Cb -0.14 -0.33 0.02 0.00 -1.51 0.00 0.00 37.83 35.87 1s6n s LYS 108 CO -0.11 -1.10 0.48 -1.13 -0.36 0.00 0.00 175.35 173.14 1s6n n SER 109 N 4.96 -7.60 0.00 1.43 3.41 -0.75 -0.23 113.62 114.84 1s6n n SER 109 Ca 0.05 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1s6n n SER 109 Cb 0.50 -4.75 0.00 0.00 -0.26 0.00 0.00 64.21 59.69 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6n n GLY 110 N -0.04 1.82 3.78 5.00 0.00 0.11 -2.26 105.19 113.60 1s6n n GLY 110 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1s6n n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6n s SER 111 N -2.00 5.03 0.60 1.61 0.15 0.42 -4.54 113.70 114.98 1s6n s SER 111 Ca 0.00 1.89 0.30 0.00 0.70 0.00 0.00 55.95 58.84 1s6n s SER 111 Cb 0.00 -2.53 1.62 0.00 -1.71 0.00 0.00 66.02 63.39 1s6n s SER 111 CO 0.00 -1.68 1.90 0.28 1.20 0.00 0.00 173.24 174.94 1s6n h SER 112 N -0.34 0.00 -0.23 5.45 0.02 -1.90 -0.21 113.55 116.34 1s6n h SER 112 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1s6n h SER 112 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1s6n h SER 112 CO 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.23 1s6n n ILE 113 N -2.78 1.75 -0.56 3.27 3.06 -1.26 -5.01 119.36 117.83 1s6n n ILE 113 Ca -0.02 -1.61 0.00 0.00 -2.50 0.00 0.00 62.75 58.63 1s6n n ILE 113 Cb 0.30 0.03 0.00 0.00 0.54 0.00 0.00 39.64 40.51 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6n n GLY 114 N -0.35 0.75 0.14 4.50 0.00 -0.09 -5.16 105.19 104.98 1s6n n GLY 114 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90