#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 0.39 0.13 7.28 0.15 -1.25 -3.17 113.70 117.22 1s6n s SER 2 Ca 0.00 -1.26 0.03 0.00 0.70 0.00 0.00 55.95 55.42 1s6n s SER 2 Cb 0.00 0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 64.88 1s6n s SER 2 CO 0.00 -1.14 0.09 -1.84 1.20 0.00 0.00 173.24 171.55 1s6n n GLU 3 N -0.44 0.27 -0.02 5.44 0.00 -1.26 -5.07 120.64 119.57 1s6n n GLU 3 Ca 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 57.16 55.87 1s6n n GLU 3 Cb 0.63 0.95 -0.02 0.00 0.00 0.00 0.00 31.44 32.99 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 -0.25 0.00 -0.23 -1.84 3.72 -1.26 -4.85 117.46 112.75 1s6n n PHE 4 Ca 0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.39 1s6n n PHE 4 Cb 0.22 -0.20 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.25 -0.11 -0.02 -1.08 -0.00 -2.01 -2.46 115.11 109.18 1s6n h GLN 5 Ca -0.12 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.55 1s6n h GLN 5 Cb 0.84 0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.35 1s6n h GLN 5 CO -0.07 -0.07 0.02 1.25 -0.00 0.00 0.00 178.83 179.96 1s6n h LEU 6 N -0.11 0.00 -0.34 0.06 5.85 -2.00 -1.28 115.31 117.49 1s6n h LEU 6 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1s6n h LEU 6 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1s6n h LEU 6 CO -0.72 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 177.67 1s6n n LYS 7 N -4.40 0.23 0.00 1.25 5.02 -0.92 -4.32 118.16 115.01 1s6n n LYS 7 Ca -0.02 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1s6n n LYS 7 Cb 0.11 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 0.68 0.00 3.34 0.72 0.00 -0.48 -4.67 105.19 104.78 1s6n n GLY 8 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1s6n n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s6n n THR 9 N 0.00 0.50 0.28 2.61 -1.04 -1.26 -4.73 114.28 110.64 1s6n n THR 9 Ca 0.00 -0.42 0.16 0.00 -2.04 0.00 0.00 64.05 61.75 1s6n n THR 9 Cb 0.00 -2.04 0.83 0.00 -1.82 0.00 0.00 70.33 67.30 1s6n n THR 9 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1s6n h THR 10 N 4.75 0.27 -3.89 12.58 1.35 -1.93 -3.46 112.91 122.59 1s6n h THR 10 Ca 0.29 -0.42 -0.18 0.00 -0.55 0.00 0.00 66.41 65.55 1s6n h THR 10 Cb 0.62 1.32 -0.08 0.00 -1.73 0.00 0.00 68.15 68.29 1s6n h THR 10 CO 1.93 0.06 -0.14 -0.31 -0.25 0.00 0.00 175.52 176.81 1s6n s TYR 11 N -4.02 0.76 0.39 4.73 1.51 -1.26 -4.98 117.35 114.47 1s6n s TYR 11 Ca -0.02 -1.07 -0.26 0.00 -1.01 0.00 0.00 57.07 54.71 1s6n s TYR 11 Cb 0.12 0.07 -0.09 0.00 -0.11 0.00 0.00 41.96 41.95 1s6n s TYR 11 CO 0.53 -1.11 1.19 0.20 -1.11 0.00 0.00 175.55 175.25 1s6n s GLY 12 N -3.15 2.90 -0.75 0.71 0.00 -1.26 -4.36 107.32 101.41 1s6n s GLY 12 Ca 0.27 1.02 -0.26 0.00 0.00 0.00 0.00 44.72 45.75 1s6n s GLY 12 CO 0.15 1.57 1.63 0.54 0.00 0.00 0.00 173.10 177.00 1s6n s VAL 13 N -1.35 3.56 0.32 1.40 0.11 -1.26 -0.54 120.40 122.64 1s6n s VAL 13 Ca 0.55 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.48 1s6n s VAL 13 Cb -0.33 -4.41 0.03 0.00 -1.53 0.00 0.00 36.38 30.15 1s6n s VAL 13 CO 0.41 -1.35 0.75 0.00 -3.33 0.00 0.00 175.10 171.58 1s6n n SER 15 N -0.82 0.00 0.00 0.00 3.41 -1.26 -2.33 113.62 112.62 1s6n n SER 15 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1s6n n SER 15 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.12 0.00 -3.44 4.33 4.81 -1.26 -4.44 118.16 118.04 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 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 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 3.09 -2.71 3.14 0.00 -1.26 -4.99 120.51 117.78 1s6n n ALA 17 Ca 0.00 -3.82 -0.22 0.00 0.00 0.00 0.00 53.44 49.39 1s6n n ALA 17 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.15 2.89 0.02 0.00 0.08 -1.26 -0.73 117.98 117.82 1s6n s PHE 18 Ca 0.33 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.23 1s6n s PHE 18 Cb 0.09 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1s6n s PHE 18 CO -0.13 0.54 -0.08 0.21 -0.10 0.00 0.00 175.22 175.66 1s6n s LYS 19 N -3.77 0.62 0.34 0.44 2.20 0.29 -4.80 119.74 115.06 1s6n s LYS 19 Ca 0.33 -0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.18 1s6n s LYS 19 Cb -0.07 -0.56 -0.10 0.00 -1.51 0.00 0.00 37.83 35.60 1s6n s LYS 19 CO 0.23 0.14 1.27 -0.06 -0.36 0.00 0.00 175.35 176.56 1s6n s PHE 20 N -0.60 3.09 -0.07 4.03 0.08 -1.26 -0.28 117.98 122.96 1s6n s PHE 20 Ca -0.01 1.46 -0.09 0.00 0.12 0.00 0.00 56.93 58.42 1s6n s PHE 20 Cb -0.05 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.75 1s6n s PHE 20 CO 0.00 -1.67 -0.18 -0.11 -0.10 0.00 0.00 175.22 173.16 1s6n n LEU 21 N 0.71 1.39 -3.87 -0.37 -0.00 0.13 -4.77 117.00 110.21 1s6n n LEU 21 Ca 0.01 0.22 -0.30 0.00 -0.00 0.00 0.00 56.01 55.94 1s6n n LEU 21 Cb 0.43 -0.51 -0.16 0.00 -0.00 0.00 0.00 43.42 43.18 1s6n n LEU 21 CO 0.57 -0.27 -0.39 -0.83 -0.00 0.00 0.00 177.39 176.48 1s6n s GLY 22 N -4.71 1.20 0.17 -3.96 0.00 -0.11 -4.98 107.32 94.94 1s6n s GLY 22 Ca -0.17 -1.40 -0.31 0.00 0.00 0.00 0.00 44.72 42.84 1s6n s GLY 22 CO 0.23 1.14 0.79 2.41 0.00 0.00 0.00 173.10 177.68 1s6n n THR 23 N 4.73 1.45 -1.47 0.90 -1.04 -1.26 -0.98 114.28 116.61 1s6n n THR 23 Ca -0.08 -0.36 -0.36 0.00 -2.04 0.00 0.00 64.05 61.21 1s6n n THR 23 Cb 0.44 -0.27 0.08 0.00 -1.82 0.00 0.00 70.33 68.77 1s6n n THR 23 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1s6n n PRO 24 N 1.18 0.70 -3.69 -2.82 -0.04 -1.26 -4.76 135.00 124.31 1s6n n PRO 24 Ca 0.17 0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 63.75 1s6n n PRO 24 Cb 0.23 -2.35 -0.17 0.00 -0.04 0.00 0.00 33.50 31.17 1s6n n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6n s ALA 25 N -1.69 0.02 0.01 0.55 0.00 -0.11 -4.98 121.76 115.56 1s6n s ALA 25 Ca 0.77 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1s6n s ALA 25 Cb -0.36 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 1s6n s ALA 25 CO 0.47 -0.45 1.58 0.34 0.00 0.00 0.00 175.76 177.70 1s6n s ASP 26 N 2.02 6.69 0.42 0.00 -1.08 -1.26 -1.32 116.67 122.14 1s6n s ASP 26 Ca 0.02 2.31 0.29 0.00 -0.52 0.00 0.00 52.55 54.65 1s6n s ASP 26 Cb -0.12 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.26 1s6n s ASP 26 CO -0.04 -0.85 1.89 0.71 0.52 0.00 0.00 175.17 177.39 1s6n h THR 27 N 5.07 0.00 0.00 1.71 1.35 -0.99 -3.47 112.91 116.59 1s6n h THR 27 Ca -0.40 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1s6n h THR 27 Cb 1.19 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1s6n h THR 27 CO 0.93 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1s6n n GLY 28 N -0.80 2.74 0.00 5.82 0.00 -1.26 -4.84 105.19 106.85 1s6n n GLY 28 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -0.75 1.61 8.25 -1.26 -4.88 115.22 116.19 1s6n n HIS 29 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s6n n HIS 29 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.58 0.71 3.24 -1.41 0.00 -1.26 -5.05 105.19 102.00 1s6n n GLY 30 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.49 1.56 -0.00 2.61 -4.23 -1.26 -4.23 115.64 107.61 1s6n s THR 31 Ca 0.00 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 1s6n s THR 31 Cb 0.00 -1.39 -0.06 0.00 1.34 0.00 0.00 72.50 72.39 1s6n s THR 31 CO 0.00 0.08 0.46 0.68 -0.54 0.00 0.00 174.62 175.31 1s6n s VAL 32 N -0.92 4.98 0.01 2.29 -7.23 0.59 -0.26 120.40 119.85 1s6n s VAL 32 Ca 0.06 0.96 -0.24 0.00 -1.81 0.00 0.00 61.98 60.95 1s6n s VAL 32 Cb -0.09 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 1s6n s VAL 32 CO 0.02 0.53 0.72 0.68 -0.31 0.00 0.00 175.10 176.74 1s6n s VAL 33 N -0.78 4.84 -0.06 1.32 -7.23 -0.44 -1.08 120.40 116.97 1s6n s VAL 33 Ca 0.26 1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 61.93 1s6n s VAL 33 Cb -0.17 -4.07 0.04 0.00 0.56 0.00 0.00 36.38 32.74 1s6n s VAL 33 CO 0.14 0.34 0.12 -0.22 -0.31 0.00 0.00 175.10 175.18 1s6n s LEU 34 N 0.15 0.48 -0.10 1.32 0.20 0.40 -0.94 118.68 120.20 1s6n s LEU 34 Ca 0.37 0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.45 1s6n s LEU 34 Cb -0.19 0.22 -0.02 0.00 -0.43 0.00 0.00 46.19 45.77 1s6n s LEU 34 CO 0.21 -0.18 -0.12 -0.70 -0.29 0.00 0.00 176.35 175.27 1s6n s GLU 35 N 1.58 3.07 0.38 1.98 2.12 -0.15 -0.54 118.70 127.14 1s6n s GLU 35 Ca -0.04 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1s6n s GLU 35 Cb -0.12 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1s6n s GLU 35 CO -0.05 0.40 0.09 -0.51 -0.54 0.00 0.00 175.26 174.64 1s6n s LEU 36 N -0.13 2.10 -0.01 2.70 1.02 -0.20 -0.70 118.68 123.47 1s6n s LEU 36 Ca -0.01 -1.53 0.02 0.00 0.02 0.00 0.00 54.13 52.63 1s6n s LEU 36 Cb -0.13 -0.29 -0.00 0.00 0.02 0.00 0.00 46.19 45.79 1s6n s LEU 36 CO 0.03 -0.77 -0.05 0.00 0.02 0.00 0.00 176.35 175.57 1s6n s GLN 37 N -3.81 0.47 -0.59 1.70 -2.07 0.61 -0.28 119.66 115.68 1s6n s GLN 37 Ca 0.28 -0.19 -0.22 0.00 -1.82 0.00 0.00 55.36 53.41 1s6n s GLN 37 Cb 0.05 -0.46 0.06 0.00 -1.09 0.00 0.00 33.01 31.58 1s6n s GLN 37 CO 0.14 0.11 0.88 -0.47 -1.32 0.00 0.00 175.29 174.63 1s6n s TYR 38 N -0.07 2.80 -1.09 9.60 5.04 -0.15 -0.55 117.35 132.94 1s6n s TYR 38 Ca 0.01 -0.39 0.29 0.00 -2.44 0.00 0.00 57.07 54.54 1s6n s TYR 38 Cb -0.03 -4.06 1.27 0.00 0.35 0.00 0.00 41.96 39.49 1s6n s TYR 38 CO -0.00 -1.41 1.94 0.25 -1.34 0.00 0.00 175.55 174.98 1s6n n THR 39 N 5.93 0.00 -1.43 4.34 -2.24 0.09 -4.40 114.28 116.56 1s6n n THR 39 Ca -0.03 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 1s6n n THR 39 Cb 0.46 -0.47 0.12 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.91 1.61 -0.02 3.38 0.00 -0.82 -5.00 107.32 103.56 1s6n s GLY 40 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.70 1s6n s GLY 40 CO 0.52 0.24 1.06 2.41 0.00 0.00 0.00 173.10 177.33 1s6n n THR 41 N -3.66 1.17 -3.75 0.90 -1.04 -1.26 -4.65 114.28 101.99 1s6n n THR 41 Ca 0.07 -1.22 -0.09 0.00 -2.04 0.00 0.00 64.05 60.77 1s6n n THR 41 Cb 0.57 0.37 0.01 0.00 -1.82 0.00 0.00 70.33 69.46 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 -0.55 -1.85 -1.31 8.00 5.75 -1.23 -4.76 116.55 120.60 1s6n n ASP 42 Ca 0.04 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1s6n n ASP 42 Cb 0.34 3.13 0.00 0.00 -1.03 0.00 0.00 41.12 43.56 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 -0.48 0.87 3.47 6.12 0.00 -1.26 -4.63 105.19 109.28 1s6n n GLY 43 Ca -0.06 -0.34 -0.49 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.31 1.12 -3.49 1.61 -0.02 -1.26 -4.81 135.00 126.84 1s6n n PRO 44 Ca 0.00 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 1s6n n PRO 44 Cb 0.45 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 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 -2.50 3.54 -0.10 0.00 2.47 0.30 0.06 119.74 123.53 1s6n s LYS 46 Ca -0.02 -1.10 -0.31 0.00 -1.56 0.00 0.00 55.97 52.98 1s6n s LYS 46 Cb -0.01 -5.18 -0.08 0.00 -1.46 0.00 0.00 37.83 31.10 1s6n s LYS 46 CO -0.03 -2.15 2.05 1.55 0.16 0.00 0.00 175.35 176.93 1s6n n VAL 47 N 6.67 0.56 -2.49 4.02 3.14 -0.98 -1.83 118.33 127.41 1s6n n VAL 47 Ca 0.28 -0.24 -0.40 0.00 -2.96 0.00 0.00 64.34 61.02 1s6n n VAL 47 Cb 0.51 -2.27 -0.01 0.00 -1.06 0.00 0.00 33.84 31.00 1s6n n VAL 47 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1s6n s PRO 48 N 5.12 3.68 -0.00 1.45 0.04 -1.26 -4.67 135.00 139.35 1s6n s PRO 48 Ca 0.95 -1.68 0.00 0.00 0.04 0.00 0.00 61.00 60.32 1s6n s PRO 48 Cb -0.48 -5.45 -0.04 0.00 0.04 0.00 0.00 34.50 28.57 1s6n s PRO 48 CO 0.42 -2.51 0.04 -1.50 0.04 0.00 0.00 177.00 173.50 1s6n s ILE 49 N 5.42 4.47 0.26 0.56 2.07 -1.26 -0.10 121.20 132.62 1s6n s ILE 49 Ca 0.55 -0.49 -0.15 0.00 -1.41 0.00 0.00 60.65 59.15 1s6n s ILE 49 Cb 0.02 -3.02 0.00 0.00 0.13 0.00 0.00 42.46 39.60 1s6n s ILE 49 CO 0.05 0.37 0.55 -0.55 -1.91 0.00 0.00 174.94 173.44 1s6n s SER 50 N -1.64 -0.11 -0.12 4.50 0.15 0.37 -4.94 113.70 111.90 1s6n s SER 50 Ca 0.21 -0.86 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 1s6n s SER 50 Cb -0.12 0.63 0.06 0.00 -1.71 0.00 0.00 66.02 64.88 1s6n s SER 50 CO 0.12 -1.21 0.19 -0.55 1.20 0.00 0.00 173.24 172.99 1s6n s SER 51 N -3.00 0.90 0.19 5.45 0.15 -1.26 -1.47 113.70 114.67 1s6n s SER 51 Ca 0.19 0.21 -0.02 0.00 0.70 0.00 0.00 55.95 57.03 1s6n s SER 51 Cb -0.02 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1s6n s SER 51 CO 0.09 -0.27 0.14 0.68 1.20 0.00 0.00 173.24 175.08 1s6n s VAL 52 N 2.32 0.01 -1.62 4.45 -7.23 -0.22 -0.63 120.40 117.49 1s6n s VAL 52 Ca 0.04 -1.95 0.16 0.00 -1.81 0.00 0.00 61.98 58.42 1s6n s VAL 52 Cb -0.13 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1s6n s VAL 52 CO -0.08 -0.07 0.89 0.00 -0.31 0.00 0.00 175.10 175.54 1s6n n ALA 53 N -0.25 2.99 -2.18 1.32 0.00 -1.26 -0.23 120.51 120.90 1s6n n ALA 53 Ca 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.85 1s6n n ALA 53 Cb 0.65 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 0.14 -0.49 0.00 0.00 7.64 -1.26 -4.40 113.62 115.24 1s6n n SER 54 Ca 0.07 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1s6n n SER 54 Cb 0.36 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1s6n n SER 54 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s6n n LEU 55 N 0.01 0.96 -2.09 -3.43 0.00 -1.26 -4.88 117.00 106.31 1s6n n LEU 55 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.79 1s6n n LEU 55 Cb 0.82 -2.22 -0.05 0.00 0.00 0.00 0.00 43.42 41.97 1s6n n LEU 55 CO -0.11 -0.86 0.84 -0.46 0.00 0.00 0.00 177.39 176.79 1s6n n ASN 56 N -0.77 2.51 0.00 1.96 6.94 -1.26 -4.74 115.26 119.90 1s6n n ASN 56 Ca 0.00 -1.86 0.02 0.00 -0.02 0.00 0.00 54.58 52.72 1s6n n ASN 56 Cb 0.38 -0.63 0.10 0.00 -2.36 0.00 0.00 39.78 37.28 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 2.41 0.00 0.28 0.53 2.03 -1.26 -0.84 116.55 119.70 1s6n n ASP 57 Ca 0.13 0.33 0.18 0.00 0.52 0.00 0.00 54.79 55.96 1s6n n ASP 57 Cb 0.37 -0.37 0.96 0.00 -0.72 0.00 0.00 41.12 41.36 1s6n n ASP 57 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1s6n h LEU 58 N 0.00 0.00 -7.01 -2.67 3.38 -2.02 -3.39 115.31 103.60 1s6n h LEU 58 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1s6n h LEU 58 Cb 0.05 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.40 1s6n h LEU 58 CO 0.00 0.00 -0.76 -0.89 0.09 0.00 0.00 178.44 176.88 1s6n s THR 59 N -4.46 0.89 0.00 0.22 2.01 -0.02 -5.12 115.64 109.17 1s6n s THR 59 Ca -0.05 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 1s6n s THR 59 Cb 0.14 -1.66 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 1s6n s THR 59 CO 0.49 -0.79 1.58 -2.16 -0.69 0.00 0.00 174.62 173.05 1s6n s PRO 60 N 1.19 4.22 -0.05 4.92 0.04 -1.26 -4.89 135.00 139.16 1s6n s PRO 60 Ca 0.13 2.17 0.16 0.00 0.04 0.00 0.00 61.00 63.50 1s6n s PRO 60 Cb -0.20 -3.72 -0.24 0.00 0.04 0.00 0.00 34.50 30.38 1s6n s PRO 60 CO -0.15 -0.73 0.28 0.28 0.04 0.00 0.00 177.00 176.73 1s6n n VAL 61 N 4.97 0.24 -3.59 -0.36 0.31 -0.74 -4.57 118.33 114.60 1s6n n VAL 61 Ca 0.15 -0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 1s6n n VAL 61 Cb 0.42 -0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 1.70 3.22 3.27 2.92 0.00 0.20 -0.41 105.19 116.09 1s6n n GLY 62 Ca -0.08 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.05 1.43 -0.18 1.61 1.70 -1.18 -4.35 118.95 115.93 1s6n s ARG 63 Ca 0.01 -1.79 -0.16 0.00 -0.47 0.00 0.00 55.73 53.31 1s6n s ARG 63 Cb -0.00 0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1s6n s ARG 63 CO 0.00 -0.44 0.41 -0.51 -1.08 0.00 0.00 175.30 173.68 1s6n s LEU 64 N -3.27 4.19 -0.25 -1.89 2.01 -1.26 -0.59 118.68 117.62 1s6n s LEU 64 Ca 0.38 0.59 -0.02 0.00 0.01 0.00 0.00 54.13 55.09 1s6n s LEU 64 Cb 0.06 -2.55 -0.17 0.00 0.01 0.00 0.00 46.19 43.53 1s6n s LEU 64 CO 0.16 -0.05 -0.17 0.52 1.01 0.00 0.00 176.35 177.83 1s6n n VAL 65 N 4.12 1.53 0.04 -1.59 0.31 0.12 -4.62 118.33 118.24 1s6n n VAL 65 Ca -0.08 -0.54 -0.12 0.00 -0.01 0.00 0.00 64.34 63.58 1s6n n VAL 65 Cb 0.51 -1.54 -0.08 0.00 -0.91 0.00 0.00 33.84 31.83 1s6n n VAL 65 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1s6n h THR 66 N -0.16 1.09 -2.57 2.52 2.02 -1.92 -3.49 112.91 110.41 1s6n h THR 66 Ca -0.58 -0.35 0.11 0.00 0.77 0.00 0.00 66.41 66.36 1s6n h THR 66 Cb 1.86 1.33 -0.09 0.00 -1.74 0.00 0.00 68.15 69.51 1s6n h THR 66 CO -0.12 0.09 0.39 0.54 0.37 0.00 0.00 175.52 176.79 1s6n s VAL 67 N -5.57 0.00 -0.01 3.16 0.11 -1.26 -5.07 120.40 111.76 1s6n s VAL 67 Ca -0.14 -0.52 -0.34 0.00 -2.93 0.00 0.00 61.98 58.05 1s6n s VAL 67 Cb 0.05 -1.67 -0.13 0.00 -1.53 0.00 0.00 36.38 33.10 1s6n s VAL 67 CO 0.66 0.00 1.77 -3.20 -3.33 0.00 0.00 175.10 171.00 1s6n n ASN 68 N -0.41 3.31 -4.55 3.54 2.85 -1.26 -4.89 115.26 113.84 1s6n n ASN 68 Ca -0.08 1.01 -0.37 0.00 -0.11 0.00 0.00 54.58 55.04 1s6n n ASN 68 Cb 0.61 -1.39 -0.03 0.00 1.24 0.00 0.00 39.78 40.21 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 2.98 2.93 -0.06 1.20 0.04 -1.26 -4.94 135.00 135.89 1s6n s PRO 69 Ca 0.88 -0.13 -0.09 0.00 0.04 0.00 0.00 61.00 61.70 1s6n s PRO 69 Cb -0.69 -4.67 0.02 0.00 0.04 0.00 0.00 34.50 29.20 1s6n s PRO 69 CO 0.47 -2.64 0.22 -0.59 0.04 0.00 0.00 177.00 174.50 1s6n s PHE 70 N 7.71 -0.19 -0.85 0.56 -0.71 -1.26 -3.25 117.98 119.99 1s6n s PHE 70 Ca 0.56 0.45 -0.25 0.00 -1.04 0.00 0.00 56.93 56.64 1s6n s PHE 70 Cb -0.08 0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1s6n s PHE 70 CO 0.09 -0.18 1.37 0.08 -1.34 0.00 0.00 175.22 175.24 1s6n s VAL 71 N -0.30 3.79 0.15 -2.49 1.01 0.11 -4.86 120.40 117.81 1s6n s VAL 71 Ca -0.04 -0.07 0.29 0.00 0.00 0.00 0.00 61.98 62.16 1s6n s VAL 71 Cb -0.03 -4.94 0.32 0.00 0.00 0.00 0.00 36.38 31.73 1s6n s VAL 71 CO 0.01 -1.85 1.93 0.77 0.00 0.00 0.00 175.10 175.95 1s6n h SER 72 N 10.07 0.00 -5.08 3.32 4.64 -1.91 0.43 113.55 125.03 1s6n h SER 72 Ca -0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1s6n h SER 72 Cb 1.04 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.97 1s6n h SER 72 CO 1.34 0.11 -0.20 0.68 -0.87 0.00 0.00 176.83 177.88 1s6n s VAL 73 N -3.71 0.09 0.28 0.95 -7.23 -1.26 -4.84 120.40 104.68 1s6n s VAL 73 Ca 0.00 -0.72 0.30 0.00 -1.81 0.00 0.00 61.98 59.76 1s6n s VAL 73 Cb 0.10 -1.08 0.32 0.00 0.56 0.00 0.00 36.38 36.29 1s6n s VAL 73 CO 0.59 -0.40 2.02 0.00 -0.31 0.00 0.00 175.10 177.00 1s6n h ALA 74 N 2.87 1.10 0.00 1.32 0.00 -1.87 -2.88 119.26 119.80 1s6n h ALA 74 Ca -0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s6n h ALA 74 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s6n h ALA 74 CO 0.48 0.12 0.00 0.25 0.00 0.00 0.00 179.25 180.10 1s6n n THR 75 N -3.35 0.00 0.61 0.00 -2.24 -1.26 -3.53 114.28 104.51 1s6n n THR 75 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1s6n n THR 75 Cb 0.29 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.59 1.76 0.32 6.98 0.00 -1.09 -4.55 120.51 123.34 1s6n n ALA 76 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1s6n n ALA 76 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.27 0.22 -4.77 0.00 4.13 -1.26 -4.54 115.26 108.76 1s6n n ASN 77 Ca 0.00 -0.54 -0.30 0.00 1.68 0.00 0.00 54.58 55.42 1s6n n ASN 77 Cb 0.02 -0.11 0.10 0.00 -1.54 0.00 0.00 39.78 38.26 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 -1.20 2.08 -0.40 5.41 0.00 -1.26 -4.51 121.76 121.89 1s6n s ALA 78 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 1s6n s ALA 78 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1s6n s ALA 78 CO 0.00 -1.87 0.34 0.21 0.00 0.00 0.00 175.76 174.44 1s6n s LYS 79 N -5.02 3.12 -0.02 0.00 2.36 -1.26 -0.97 119.74 117.95 1s6n s LYS 79 Ca 0.61 -0.85 -0.02 0.00 -2.55 0.00 0.00 55.97 53.16 1s6n s LYS 79 Cb -0.16 -3.94 0.01 0.00 -1.05 0.00 0.00 37.83 32.68 1s6n s LYS 79 CO 0.56 -0.72 0.06 0.54 1.55 0.00 0.00 175.35 177.33 1s6n s VAL 80 N 1.84 0.00 -0.16 4.02 0.11 0.61 -4.98 120.40 121.85 1s6n s VAL 80 Ca 0.08 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1s6n s VAL 80 Cb -0.18 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1s6n s VAL 80 CO 0.11 -0.01 0.02 -0.22 -3.33 0.00 0.00 175.10 171.67 1s6n s LEU 81 N -0.01 3.61 0.12 2.54 1.98 -1.26 -1.03 118.68 124.62 1s6n s LEU 81 Ca -0.00 0.03 0.06 0.00 -2.89 0.00 0.00 54.13 51.32 1s6n s LEU 81 Cb -0.01 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 1s6n s LEU 81 CO 0.00 0.21 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.91 1s6n s ILE 82 N 0.15 1.28 -0.14 6.68 1.09 0.30 -4.97 121.20 125.59 1s6n s ILE 82 Ca 0.02 -1.73 -0.03 0.00 -1.10 0.00 0.00 60.65 57.81 1s6n s ILE 82 Cb -0.13 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.71 1s6n s ILE 82 CO 0.01 -0.46 -0.04 -1.61 -0.10 0.00 0.00 174.94 172.75 1s6n s GLU 83 N -2.76 3.49 0.21 2.79 8.01 -1.26 -0.45 118.70 128.73 1s6n s GLU 83 Ca 0.09 -0.51 0.07 0.00 0.01 0.00 0.00 54.97 54.63 1s6n s GLU 83 Cb -0.04 -2.86 -0.05 0.00 -4.31 0.00 0.00 34.13 26.87 1s6n s GLU 83 CO 0.03 0.34 -0.13 -0.51 0.01 0.00 0.00 175.26 175.00 1s6n s LEU 84 N 0.08 2.54 -0.47 1.80 1.02 -0.24 -0.70 118.68 122.71 1s6n s LEU 84 Ca -0.00 -1.05 -0.14 0.00 0.02 0.00 0.00 54.13 52.96 1s6n s LEU 84 Cb -0.13 -0.66 0.08 0.00 0.02 0.00 0.00 46.19 45.50 1s6n s LEU 84 CO 0.03 -0.20 0.37 -0.70 0.02 0.00 0.00 176.35 175.87 1s6n s GLU 85 N -3.66 2.89 -0.28 1.70 2.12 0.24 -0.30 118.70 121.41 1s6n s GLU 85 Ca 0.23 -1.41 -0.26 0.00 0.36 0.00 0.00 54.97 53.89 1s6n s GLU 85 Cb -0.00 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1s6n s GLU 85 CO 0.07 -1.04 0.91 -1.25 -0.54 0.00 0.00 175.26 173.42 1s6n s PRO 86 N 1.58 4.11 0.79 4.30 0.04 -1.26 -3.11 135.00 141.46 1s6n s PRO 86 Ca 0.04 0.95 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 1s6n s PRO 86 Cb -0.25 -3.69 0.07 0.00 0.04 0.00 0.00 34.50 30.67 1s6n s PRO 86 CO 0.05 -0.67 1.09 -1.25 0.04 0.00 0.00 177.00 176.26 1s6n s PRO 87 N 3.13 2.08 0.82 0.56 0.04 -1.26 -4.87 135.00 135.49 1s6n s PRO 87 Ca 0.38 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1s6n s PRO 87 Cb -0.14 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.61 1s6n s PRO 87 CO 0.10 -1.76 1.12 -0.06 0.04 0.00 0.00 177.00 176.44 1s6n s PHE 88 N -2.90 2.21 0.00 0.56 0.08 -1.26 -4.44 117.98 112.23 1s6n s PHE 88 Ca 0.62 1.65 0.00 0.00 0.12 0.00 0.00 56.93 59.31 1s6n s PHE 88 Cb -0.17 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1s6n s PHE 88 CO 0.56 -2.20 0.00 0.41 -0.10 0.00 0.00 175.22 173.90 1s6n n GLY 89 N -0.60 0.19 3.76 4.36 0.00 0.18 -4.83 105.19 108.25 1s6n n GLY 89 Ca 0.10 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 5.76 -0.30 1.61 1.11 -1.26 -0.22 116.67 119.37 1s6n s ASP 90 Ca 0.00 2.56 -0.02 0.00 0.18 0.00 0.00 52.55 55.27 1s6n s ASP 90 Cb 0.00 -2.62 0.10 0.00 1.07 0.00 0.00 42.92 41.47 1s6n s ASP 90 CO 0.00 -1.22 0.11 -0.44 1.18 0.00 0.00 175.17 174.80 1s6n s SER 91 N -1.10 3.77 -0.13 0.27 0.01 0.13 -4.35 113.70 112.29 1s6n s SER 91 Ca 0.67 -1.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.45 1s6n s SER 91 Cb -0.35 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 1s6n s SER 91 CO 0.42 -0.42 -0.04 -0.31 0.41 0.00 0.00 173.24 173.30 1s6n s TYR 92 N 1.83 3.02 -0.41 2.43 2.02 0.69 -0.53 117.35 126.39 1s6n s TYR 92 Ca 0.09 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1s6n s TYR 92 Cb -0.17 -1.90 0.11 0.00 -0.40 0.00 0.00 41.96 39.61 1s6n s TYR 92 CO -0.29 0.08 0.20 0.42 -1.57 0.00 0.00 175.55 174.39 1s6n s ILE 93 N 0.04 3.18 -0.12 2.71 -1.09 0.53 -1.05 121.20 125.40 1s6n s ILE 93 Ca 0.00 -2.16 -0.06 0.00 -2.23 0.00 0.00 60.65 56.20 1s6n s ILE 93 Cb -0.13 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 1s6n s ILE 93 CO 0.03 -0.69 0.12 -0.69 -1.23 0.00 0.00 174.94 172.47 1s6n s VAL 94 N 1.02 5.32 -0.41 2.92 1.01 -0.54 -0.25 120.40 129.48 1s6n s VAL 94 Ca 0.09 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1s6n s VAL 94 Cb -0.22 -3.31 0.15 0.00 0.00 0.00 0.00 36.38 32.99 1s6n s VAL 94 CO -0.05 0.61 0.26 -0.69 0.00 0.00 0.00 175.10 175.23 1s6n s VAL 95 N -0.93 0.72 0.00 2.92 1.01 0.25 -0.47 120.40 123.89 1s6n s VAL 95 Ca 0.14 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.85 1s6n s VAL 95 Cb -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1s6n s VAL 95 CO 0.03 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.74 1s6n n GLY 96 N 3.57 1.58 2.96 4.51 0.00 0.85 -0.17 105.19 118.48 1s6n n GLY 96 Ca 0.14 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 0.22 0.05 1.61 1.04 -0.10 -4.77 118.95 114.99 1s6n s ARG 97 Ca 0.00 -0.36 0.00 0.00 -1.04 0.00 0.00 55.73 54.33 1s6n s ARG 97 Cb 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 34.95 32.99 1s6n s ARG 97 CO 0.00 -0.04 0.00 0.41 -0.04 0.00 0.00 175.30 175.63 1s6n n GLY 98 N 2.12 0.62 0.04 3.88 0.00 -1.26 -0.65 105.19 109.95 1s6n n GLY 98 Ca -0.20 0.73 0.12 0.00 0.00 0.00 0.00 46.02 46.67 1s6n n GLY 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s6n n GLU 99 N 0.00 0.21 -3.94 1.61 0.00 -1.26 -4.72 120.64 112.54 1s6n n GLU 99 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 57.16 56.90 1s6n n GLU 99 Cb 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 31.44 29.68 1s6n n GLU 99 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1s6n s GLN 100 N -3.13 1.93 0.04 3.44 -2.07 0.18 -5.09 119.66 114.95 1s6n s GLN 100 Ca 0.07 -2.57 -0.02 0.00 -1.82 0.00 0.00 55.36 51.01 1s6n s GLN 100 Cb 0.15 -3.27 -0.02 0.00 -1.09 0.00 0.00 33.01 28.78 1s6n s GLN 100 CO 0.73 -1.11 0.02 1.14 -1.32 0.00 0.00 175.29 174.75 1s6n s GLN 101 N -0.22 0.51 0.18 9.60 1.03 -1.26 -0.93 119.66 128.57 1s6n s GLN 101 Ca 0.17 -0.86 -0.08 0.00 0.04 0.00 0.00 55.36 54.63 1s6n s GLN 101 Cb -0.26 0.19 -0.01 0.00 0.03 0.00 0.00 33.01 32.96 1s6n s GLN 101 CO -0.00 -0.11 0.28 0.42 -2.54 0.00 0.00 175.29 173.34 1s6n s ILE 102 N -2.69 0.05 0.07 3.63 1.01 0.75 -4.96 121.20 119.06 1s6n s ILE 102 Ca -0.04 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 58.92 1s6n s ILE 102 Cb -0.01 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.48 1s6n s ILE 102 CO -0.05 -0.21 0.41 0.54 0.00 0.00 0.00 174.94 175.62 1s6n s ASN 103 N -3.01 -0.27 0.17 3.58 4.22 -1.26 -0.59 114.94 117.79 1s6n s ASN 103 Ca 0.22 -0.10 0.05 0.00 -2.14 0.00 0.00 52.86 50.89 1s6n s ASN 103 Cb 0.03 0.44 -0.05 0.00 1.28 0.00 0.00 41.25 42.96 1s6n s ASN 103 CO 0.03 -0.72 -0.10 -1.00 -2.04 0.00 0.00 177.10 173.28 1s6n s HIS 104 N -2.89 1.41 0.01 1.54 3.76 0.66 -4.99 115.29 114.79 1s6n s HIS 104 Ca -0.03 -0.74 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 1s6n s HIS 104 Cb 0.00 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 1s6n s HIS 104 CO -0.05 0.13 -0.03 -1.01 -0.85 0.00 0.00 174.74 172.92 1s6n s HIS 105 N -3.25 0.30 0.21 1.40 3.76 -1.26 -0.35 115.29 116.10 1s6n s HIS 105 Ca 0.20 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1s6n s HIS 105 Cb 0.02 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.49 1s6n s HIS 105 CO 0.03 -0.07 0.24 -0.46 -0.85 0.00 0.00 174.74 173.63 1s6n s TRP 106 N -0.72 0.91 -0.10 1.40 -0.00 0.31 -4.93 118.94 115.81 1s6n s TRP 106 Ca -0.06 -1.17 -0.02 0.00 -0.00 0.00 0.00 56.10 54.84 1s6n s TRP 106 Cb -0.05 -0.33 0.04 0.00 -0.00 0.00 0.00 33.47 33.13 1s6n s TRP 106 CO -0.00 -0.75 0.02 -1.01 -0.00 0.00 0.00 176.95 175.21 1s6n s HIS 107 N -4.11 0.62 -0.37 5.86 3.76 -1.26 -0.70 115.29 119.09 1s6n s HIS 107 Ca 0.34 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 1s6n s HIS 107 Cb 0.05 -0.79 0.15 0.00 1.11 0.00 0.00 32.58 33.09 1s6n s HIS 107 CO 0.11 -0.38 0.27 0.21 -0.85 0.00 0.00 174.74 174.10 1s6n s LYS 108 N 1.99 0.65 -0.98 1.40 2.20 0.69 -4.96 119.74 120.74 1s6n s LYS 108 Ca 0.04 -1.48 -0.09 0.00 -0.36 0.00 0.00 55.97 54.08 1s6n s LYS 108 Cb -0.13 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 1s6n s LYS 108 CO -0.06 -1.26 0.79 0.43 -0.36 0.00 0.00 175.35 174.90 1s6n n SER 109 N 3.74 -6.34 0.00 1.43 7.64 -0.78 -0.64 113.62 118.67 1s6n n SER 109 Ca 0.17 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1s6n n SER 109 Cb 0.41 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6n n GLY 110 N -1.57 -0.56 3.82 0.23 0.00 0.83 -4.16 105.19 103.79 1s6n n GLY 110 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.14 5.64 0.48 1.61 0.15 0.96 -4.40 113.70 118.01 1s6n s SER 111 Ca 0.00 1.65 0.39 0.00 0.70 0.00 0.00 55.95 58.69 1s6n s SER 111 Cb 0.00 -2.50 1.58 0.00 -1.71 0.00 0.00 66.02 63.39 1s6n s SER 111 CO 0.00 -1.26 1.58 0.28 1.20 0.00 0.00 173.24 175.04 1s6n h SER 112 N -0.26 0.13 0.55 5.45 0.02 -1.89 0.71 113.55 118.27 1s6n h SER 112 Ca -0.45 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1s6n h SER 112 Cb 1.21 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1s6n h SER 112 CO 0.58 -0.16 -0.20 0.00 -1.14 0.00 0.00 176.83 175.91 1s6n n ILE 113 N -4.45 0.00 -0.16 3.27 3.06 -1.26 -4.96 119.36 114.86 1s6n n ILE 113 Ca 0.42 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.63 1s6n n ILE 113 Cb 1.72 -0.08 0.00 0.00 0.54 0.00 0.00 39.64 41.82 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 1.40 0.92 0.00 4.50 0.00 0.24 -5.18 105.19 107.07 1s6n n GLY 114 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90