#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 -0.02 -0.33 4.38 0.15 -1.26 -3.07 113.70 113.55 1s6n s SER 2 Ca 0.00 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 1s6n s SER 2 Cb 0.00 0.23 0.07 0.00 -1.71 0.00 0.00 66.02 64.61 1s6n s SER 2 CO 0.00 -0.38 0.06 -1.83 1.20 0.00 0.00 173.24 172.29 1s6n s GLU 3 N -1.33 2.20 0.34 5.44 1.03 -1.26 -5.03 118.70 120.08 1s6n s GLU 3 Ca -0.14 -1.49 0.18 0.00 0.03 0.00 0.00 54.97 53.55 1s6n s GLU 3 Cb -0.07 -3.28 0.28 0.00 -0.80 0.00 0.00 34.13 30.26 1s6n s GLU 3 CO 0.02 -0.78 1.55 0.74 -1.33 0.00 0.00 175.26 175.46 1s6n h PHE 4 N 7.96 0.00 -0.30 4.83 0.04 -2.02 -3.32 116.94 124.13 1s6n h PHE 4 Ca -0.17 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.43 1s6n h PHE 4 Cb 1.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 1s6n h PHE 4 CO 0.58 0.38 -0.49 -0.56 -0.60 0.00 0.00 178.31 177.61 1s6n h GLN 5 N 0.00 0.83 0.00 1.51 -0.00 -2.06 -3.15 115.11 112.24 1s6n h GLN 5 Ca -0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 1s6n h GLN 5 Cb 1.20 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 1s6n h GLN 5 CO 0.05 1.13 0.00 1.28 -0.00 0.00 0.00 178.83 181.29 1s6n n LEU 6 N -4.01 0.00 0.15 0.06 4.77 -1.25 -4.26 117.00 112.46 1s6n n LEU 6 Ca -0.03 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 1s6n n LEU 6 Cb 0.60 -0.28 0.51 0.00 -2.33 0.00 0.00 43.42 41.91 1s6n n LEU 6 CO 0.49 -0.09 0.88 0.11 -1.33 0.00 0.00 177.39 177.45 1s6n h LYS 7 N 0.00 0.00 -3.61 3.23 1.79 -1.72 -3.47 116.57 112.80 1s6n h LYS 7 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s6n h LYS 7 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1s6n h LYS 7 CO 0.00 0.00 -0.20 0.41 -1.08 0.00 0.00 179.45 178.58 1s6n n GLY 8 N 0.14 -2.03 1.07 3.86 0.00 -1.26 -3.90 105.19 103.08 1s6n n GLY 8 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.13 1.17 0.15 2.61 -2.24 -1.26 -4.63 114.28 109.95 1s6n n THR 9 Ca 0.02 -0.63 0.06 0.00 -2.27 0.00 0.00 64.05 61.22 1s6n n THR 9 Cb 0.06 -0.29 0.28 0.00 -2.10 0.00 0.00 70.33 68.28 1s6n n THR 9 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1s6n n THR 10 N 0.34 1.45 -4.37 4.28 5.66 -1.26 -4.62 114.28 115.76 1s6n n THR 10 Ca 0.13 0.52 -0.19 0.00 -3.05 0.00 0.00 64.05 61.46 1s6n n THR 10 Cb 0.63 -1.49 -0.10 0.00 -1.55 0.00 0.00 70.33 67.82 1s6n n THR 10 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1s6n s TYR 11 N -3.21 1.70 0.60 1.09 2.02 -1.26 -5.08 117.35 113.21 1s6n s TYR 11 Ca 0.00 -1.13 -0.09 0.00 -0.37 0.00 0.00 57.07 55.49 1s6n s TYR 11 Cb 0.04 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1s6n s TYR 11 CO 0.13 -0.24 0.96 0.20 -1.57 0.00 0.00 175.55 175.03 1s6n s GLY 12 N -3.39 1.60 -0.90 0.71 0.00 -1.26 -4.43 107.32 99.65 1s6n s GLY 12 Ca 0.36 -0.37 -0.24 0.00 0.00 0.00 0.00 44.72 44.47 1s6n s GLY 12 CO 0.15 -0.11 1.80 0.54 0.00 0.00 0.00 173.10 175.48 1s6n s VAL 13 N -3.07 3.56 0.13 1.40 0.11 -1.26 -0.68 120.40 120.58 1s6n s VAL 13 Ca 0.54 -0.38 -0.07 0.00 -2.93 0.00 0.00 61.98 59.14 1s6n s VAL 13 Cb -0.11 -4.28 -0.01 0.00 -1.53 0.00 0.00 36.38 30.45 1s6n s VAL 13 CO 0.49 -1.21 0.19 0.00 -3.33 0.00 0.00 175.10 171.25 1s6n n SER 15 N -0.12 0.00 0.00 0.00 3.41 -1.26 -2.76 113.62 112.89 1s6n n SER 15 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1s6n n SER 15 Cb 0.63 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.96 0.00 -3.31 4.33 4.81 -1.26 -4.68 118.16 116.09 1s6n n LYS 16 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1s6n n LYS 16 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.05 4.34 -2.51 3.14 0.00 -1.26 -4.98 120.51 119.29 1s6n n ALA 17 Ca 0.00 -4.68 -0.13 0.00 0.00 0.00 0.00 53.44 48.62 1s6n n ALA 17 Cb 0.00 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 16.96 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 -1.52 0.93 -0.05 0.00 0.40 -1.26 -1.66 117.98 114.82 1s6n s PHE 18 Ca 0.31 -0.67 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1s6n s PHE 18 Cb -0.08 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 42.94 1s6n s PHE 18 CO -0.06 -0.05 0.21 0.21 0.70 0.00 0.00 175.22 176.23 1s6n s LYS 19 N -2.71 0.36 0.19 0.44 2.20 -0.04 -4.77 119.74 115.41 1s6n s LYS 19 Ca 0.03 0.05 -0.32 0.00 -0.36 0.00 0.00 55.97 55.37 1s6n s LYS 19 Cb -0.03 0.16 -0.11 0.00 -1.51 0.00 0.00 37.83 36.34 1s6n s LYS 19 CO -0.01 -0.07 1.66 -0.06 -0.36 0.00 0.00 175.35 176.51 1s6n s PHE 20 N -0.46 2.94 -0.15 4.03 0.08 -1.26 -0.46 117.98 122.70 1s6n s PHE 20 Ca -0.06 0.45 -0.08 0.00 0.12 0.00 0.00 56.93 57.36 1s6n s PHE 20 Cb -0.04 -4.06 -0.06 0.00 -0.57 0.00 0.00 43.02 38.29 1s6n s PHE 20 CO 0.01 -3.97 -0.20 -0.11 -0.10 0.00 0.00 175.22 170.85 1s6n n LEU 21 N 4.04 1.16 -3.86 -0.37 -0.00 0.36 -4.81 117.00 113.51 1s6n n LEU 21 Ca 0.15 0.20 -0.30 0.00 -0.00 0.00 0.00 56.01 56.06 1s6n n LEU 21 Cb 0.37 -0.47 -0.15 0.00 -0.00 0.00 0.00 43.42 43.16 1s6n n LEU 21 CO 0.63 0.24 -0.37 -0.83 -0.00 0.00 0.00 177.39 177.06 1s6n s GLY 22 N -5.20 1.29 0.79 -3.96 0.00 -0.48 -4.98 107.32 94.78 1s6n s GLY 22 Ca -0.21 -1.64 -0.12 0.00 0.00 0.00 0.00 44.72 42.74 1s6n s GLY 22 CO 0.27 1.22 1.15 -0.51 0.00 0.00 0.00 173.10 175.23 1s6n s THR 23 N 1.42 2.54 0.34 0.90 -4.23 -1.26 -0.11 115.64 115.24 1s6n s THR 23 Ca 0.03 0.22 -0.27 0.00 -1.18 0.00 0.00 61.69 60.49 1s6n s THR 23 Cb -0.18 -2.59 -0.13 0.00 1.34 0.00 0.00 72.50 70.94 1s6n s THR 23 CO -0.13 -0.19 1.06 -2.65 -0.54 0.00 0.00 174.62 172.17 1s6n n PRO 24 N -3.33 1.51 -3.96 3.99 -0.02 -1.26 -4.74 135.00 127.18 1s6n n PRO 24 Ca 0.12 0.53 -0.24 0.00 -2.02 0.00 0.00 63.50 61.89 1s6n n PRO 24 Cb 0.52 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 1s6n n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6n s ALA 25 N -1.13 0.93 0.04 3.55 0.00 0.04 -4.98 121.76 120.20 1s6n s ALA 25 Ca 0.59 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 1s6n s ALA 25 Cb -0.63 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 1s6n s ALA 25 CO 0.60 -0.30 1.72 0.34 0.00 0.00 0.00 175.76 178.11 1s6n s ASP 26 N 1.56 6.58 0.19 0.00 -1.08 -1.26 -1.19 116.67 121.47 1s6n s ASP 26 Ca -0.00 2.48 0.23 0.00 -0.52 0.00 0.00 52.55 54.74 1s6n s ASP 26 Cb -0.13 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.69 1s6n s ASP 26 CO -0.04 -0.93 1.71 0.35 0.52 0.00 0.00 175.17 176.77 1s6n n THR 27 N 5.02 0.74 -0.08 1.71 -2.24 0.65 -4.90 114.28 115.19 1s6n n THR 27 Ca 0.17 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1s6n n THR 27 Cb 0.41 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1s6n n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s6n n GLY 28 N 0.40 1.24 0.73 3.38 0.00 -1.26 -4.81 105.19 104.87 1s6n n GLY 28 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 0.55 -0.42 1.61 8.25 -1.26 -4.86 115.22 117.09 1s6n n HIS 29 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1s6n n HIS 29 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 0.97 0.78 3.30 -1.41 0.00 -1.26 -5.09 105.19 102.48 1s6n n GLY 30 Ca 0.12 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 1.12 -0.17 2.61 -4.23 -1.26 -4.22 115.64 107.49 1s6n s THR 31 Ca 0.00 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1s6n s THR 31 Cb 0.00 -2.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.68 1s6n s THR 31 CO 0.00 -0.48 -0.13 0.68 -0.54 0.00 0.00 174.62 174.14 1s6n s VAL 32 N -3.36 2.75 -0.10 2.29 -7.23 0.58 -0.25 120.40 115.07 1s6n s VAL 32 Ca 0.24 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 1s6n s VAL 32 Cb 0.04 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1s6n s VAL 32 CO 0.06 0.50 1.07 0.68 -0.31 0.00 0.00 175.10 177.10 1s6n s VAL 33 N 1.03 4.61 0.02 1.32 -7.23 -0.34 -1.18 120.40 118.64 1s6n s VAL 33 Ca -0.01 1.90 0.02 0.00 -1.81 0.00 0.00 61.98 62.07 1s6n s VAL 33 Cb -0.15 -4.22 -0.02 0.00 0.56 0.00 0.00 36.38 32.56 1s6n s VAL 33 CO -0.03 -0.02 -0.06 -1.48 -0.31 0.00 0.00 175.10 173.20 1s6n s LEU 34 N 2.22 2.17 -0.07 1.32 -0.00 0.19 -0.78 118.68 123.73 1s6n s LEU 34 Ca 0.50 -0.39 0.04 0.00 -0.00 0.00 0.00 54.13 54.28 1s6n s LEU 34 Cb -0.20 -0.14 -0.02 0.00 -0.00 0.00 0.00 46.19 45.84 1s6n s LEU 34 CO 0.18 -0.14 -0.19 -0.70 -0.00 0.00 0.00 176.35 175.50 1s6n s GLU 35 N -1.09 2.74 0.29 1.48 2.12 0.85 -0.33 118.70 124.76 1s6n s GLU 35 Ca -0.07 -0.80 0.11 0.00 0.36 0.00 0.00 54.97 54.57 1s6n s GLU 35 Cb -0.07 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.93 1s6n s GLU 35 CO 0.00 0.41 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.52 1s6n s LEU 36 N -0.19 2.85 -0.02 2.70 1.43 -1.17 -0.49 118.68 123.78 1s6n s LEU 36 Ca -0.01 -0.91 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 1s6n s LEU 36 Cb -0.13 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1s6n s LEU 36 CO 0.03 -0.03 -0.25 0.00 0.23 0.00 0.00 176.35 176.33 1s6n s GLN 37 N -3.60 2.12 -0.82 1.70 -2.07 0.39 -0.75 119.66 116.62 1s6n s GLN 37 Ca 0.31 -0.91 -0.19 0.00 -1.82 0.00 0.00 55.36 52.75 1s6n s GLN 37 Cb -0.04 -2.02 0.12 0.00 -1.09 0.00 0.00 33.01 29.98 1s6n s GLN 37 CO 0.17 0.53 1.02 -0.47 -1.32 0.00 0.00 175.29 175.22 1s6n s TYR 38 N -0.56 3.06 0.00 9.60 6.14 0.29 -0.86 117.35 135.01 1s6n s TYR 38 Ca 0.09 -1.21 0.00 0.00 0.64 0.00 0.00 57.07 56.59 1s6n s TYR 38 Cb -0.10 -4.22 0.00 0.00 0.42 0.00 0.00 41.96 38.06 1s6n s TYR 38 CO -0.01 -1.46 0.78 0.25 0.64 0.00 0.00 175.55 175.75 1s6n n THR 39 N 5.49 0.78 -3.92 4.34 -2.24 -0.67 -4.57 114.28 113.48 1s6n n THR 39 Ca 0.13 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1s6n n THR 39 Cb 0.47 -0.93 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 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 1.22 -0.06 0.19 3.38 0.00 -1.26 -4.88 107.32 105.91 1s6n s GLY 40 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 44.72 44.82 1s6n s GLY 40 CO 0.00 4.03 1.19 -0.91 0.00 0.00 0.00 173.10 177.42 1s6n h THR 41 N 2.00 0.67 -3.58 0.90 1.35 -1.88 -3.42 112.91 108.95 1s6n h THR 41 Ca -0.25 -2.05 -0.09 0.00 -0.55 0.00 0.00 66.41 63.47 1s6n h THR 41 Cb 1.20 2.22 -0.07 0.00 -1.73 0.00 0.00 68.15 69.77 1s6n h THR 41 CO 0.33 0.38 -0.03 1.51 -0.25 0.00 0.00 175.52 177.46 1s6n s ASP 42 N -6.14 0.15 0.00 5.36 -4.77 -1.26 -4.69 116.67 105.33 1s6n s ASP 42 Ca 0.01 -1.07 0.00 0.00 -3.30 0.00 0.00 52.55 48.19 1s6n s ASP 42 Cb 0.08 0.67 0.00 0.00 -1.09 0.00 0.00 42.92 42.58 1s6n s ASP 42 CO 0.77 -1.30 0.00 0.61 0.70 0.00 0.00 175.17 175.95 1s6n n GLY 43 N -0.46 0.92 3.52 2.12 0.00 -1.26 -4.72 105.19 105.31 1s6n n GLY 43 Ca -0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.34 -4.02 1.61 -0.02 -1.26 -4.80 135.00 126.85 1s6n n PRO 44 Ca 0.00 -0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 60.62 1s6n n PRO 44 Cb 0.00 -3.03 -0.06 0.00 -0.02 0.00 0.00 33.50 30.39 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 -4.03 3.45 0.02 0.00 2.36 0.15 -0.24 119.74 121.44 1s6n s LYS 46 Ca 0.24 -1.64 -0.30 0.00 -2.55 0.00 0.00 55.97 51.72 1s6n s LYS 46 Cb 0.01 -4.66 -0.09 0.00 -1.05 0.00 0.00 37.83 32.04 1s6n s LYS 46 CO 0.09 -1.69 1.98 1.55 1.55 0.00 0.00 175.35 178.82 1s6n n VAL 47 N 5.39 0.75 -2.40 4.02 3.14 -1.11 -2.54 118.33 125.58 1s6n n VAL 47 Ca 0.14 -0.14 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1s6n n VAL 47 Cb 0.47 -2.29 -0.03 0.00 -1.06 0.00 0.00 33.84 30.93 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 4.48 3.31 0.04 1.45 0.04 -1.26 -4.70 135.00 138.35 1s6n s PRO 48 Ca 0.90 -1.01 0.07 0.00 0.04 0.00 0.00 61.00 61.00 1s6n s PRO 48 Cb -0.45 -5.30 -0.02 0.00 0.04 0.00 0.00 34.50 28.76 1s6n s PRO 48 CO 0.43 -2.62 -0.22 -1.50 0.04 0.00 0.00 177.00 173.13 1s6n s ILE 49 N 6.56 1.73 0.23 0.56 2.07 -1.26 -0.38 121.20 130.71 1s6n s ILE 49 Ca 0.54 -1.18 -0.16 0.00 -1.41 0.00 0.00 60.65 58.44 1s6n s ILE 49 Cb -0.01 -1.49 0.01 0.00 0.13 0.00 0.00 42.46 41.10 1s6n s ILE 49 CO -0.04 0.27 0.53 -0.55 -1.91 0.00 0.00 174.94 173.24 1s6n s SER 50 N -1.09 -0.18 -0.06 4.50 0.15 0.32 -4.94 113.70 112.40 1s6n s SER 50 Ca 0.08 -0.70 -0.02 0.00 0.70 0.00 0.00 55.95 56.01 1s6n s SER 50 Cb -0.09 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1s6n s SER 50 CO 0.01 -1.14 0.11 -0.55 1.20 0.00 0.00 173.24 172.88 1s6n s SER 51 N -2.94 0.36 0.17 5.45 0.15 -1.26 -1.11 113.70 114.52 1s6n s SER 51 Ca 0.15 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 1s6n s SER 51 Cb -0.02 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1s6n s SER 51 CO 0.04 -0.19 0.09 0.68 1.20 0.00 0.00 173.24 175.06 1s6n s VAL 52 N 1.63 0.13 -0.85 4.45 -7.23 0.14 -0.60 120.40 118.07 1s6n s VAL 52 Ca -0.04 -1.96 0.22 0.00 -1.81 0.00 0.00 61.98 58.39 1s6n s VAL 52 Cb -0.12 -2.30 -0.20 0.00 0.56 0.00 0.00 36.38 34.32 1s6n s VAL 52 CO -0.05 -0.22 0.93 0.00 -0.31 0.00 0.00 175.10 175.45 1s6n n ALA 53 N -0.21 4.27 -2.48 1.32 0.00 -1.26 -0.30 120.51 121.85 1s6n n ALA 53 Ca -0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1s6n n ALA 53 Cb 0.65 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.63 -0.67 -0.00 0.00 7.64 -1.26 -4.38 113.62 113.31 1s6n n SER 54 Ca 0.03 -2.10 -0.00 0.00 1.01 0.00 0.00 58.87 57.81 1s6n n SER 54 Cb 0.37 0.31 -0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.76 0.90 -2.09 -3.43 0.00 -1.26 -4.88 117.00 105.47 1s6n n LEU 55 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.83 1s6n n LEU 55 Cb 0.84 -2.32 -0.05 0.00 0.00 0.00 0.00 43.42 41.89 1s6n n LEU 55 CO -0.11 -0.91 0.79 -0.46 0.00 0.00 0.00 177.39 176.70 1s6n n ASN 56 N -0.64 2.32 0.00 1.96 6.94 -1.26 -4.73 115.26 119.86 1s6n n ASN 56 Ca -0.00 -1.81 0.05 0.00 -0.02 0.00 0.00 54.58 52.79 1s6n n ASN 56 Cb 0.45 -0.58 0.27 0.00 -2.36 0.00 0.00 39.78 37.57 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 0.07 0.53 2.03 -1.26 -1.58 116.55 118.75 1s6n n ASP 57 Ca 0.12 -0.11 0.04 0.00 0.52 0.00 0.00 54.79 55.36 1s6n n ASP 57 Cb 0.34 -0.12 0.23 0.00 -0.72 0.00 0.00 41.12 40.85 1s6n n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6n n LEU 58 N -1.12 0.22 -3.25 -2.67 -0.00 -1.26 -4.32 117.00 104.60 1s6n n LEU 58 Ca 0.06 0.56 -0.04 0.00 -0.00 0.00 0.00 56.01 56.59 1s6n n LEU 58 Cb 0.05 -0.57 -0.04 0.00 -0.00 0.00 0.00 43.42 42.86 1s6n n LEU 58 CO 0.06 -0.63 -0.01 -0.89 -0.00 0.00 0.00 177.39 175.92 1s6n s THR 59 N -3.15 -0.77 -0.02 1.47 2.01 -0.61 -5.14 115.64 109.42 1s6n s THR 59 Ca -0.01 -0.19 -0.38 0.00 0.31 0.00 0.00 61.69 61.42 1s6n s THR 59 Cb 0.02 -0.98 -0.16 0.00 0.01 0.00 0.00 72.50 71.39 1s6n s THR 59 CO 0.08 -0.18 1.48 -2.65 -0.69 0.00 0.00 174.62 172.66 1s6n n PRO 60 N 5.36 1.22 -0.07 4.92 -0.02 -1.26 -4.90 135.00 140.24 1s6n n PRO 60 Ca 0.02 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1s6n n PRO 60 Cb 0.51 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 1s6n n PRO 60 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1s6n n VAL 61 N 3.23 0.89 -2.25 -1.45 0.31 -0.20 -4.86 118.33 114.00 1s6n n VAL 61 Ca 0.21 -0.46 -0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1s6n n VAL 61 Cb 0.18 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 2.42 0.78 3.33 2.92 0.00 0.23 0.14 105.19 115.01 1s6n n GLY 62 Ca -0.24 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.40 1.49 -0.19 1.61 1.70 -1.17 -4.45 118.95 115.54 1s6n s ARG 63 Ca 0.01 -1.83 -0.20 0.00 -0.47 0.00 0.00 55.73 53.24 1s6n s ARG 63 Cb -0.00 -0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.16 1s6n s ARG 63 CO 0.00 -0.37 0.58 -0.51 -1.08 0.00 0.00 175.30 173.92 1s6n s LEU 64 N -3.34 4.16 -0.22 -1.89 2.01 -1.26 -0.40 118.68 117.74 1s6n s LEU 64 Ca 0.37 0.77 -0.16 0.00 0.01 0.00 0.00 54.13 55.12 1s6n s LEU 64 Cb 0.07 -2.81 -0.11 0.00 0.01 0.00 0.00 46.19 43.35 1s6n s LEU 64 CO 0.15 -0.22 -0.18 0.52 1.01 0.00 0.00 176.35 177.64 1s6n n VAL 65 N 4.56 1.51 -0.33 -1.59 0.31 -0.10 -4.59 118.33 118.09 1s6n n VAL 65 Ca -0.03 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.19 1s6n n VAL 65 Cb 0.50 -2.11 0.10 0.00 -0.91 0.00 0.00 33.84 31.42 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 -1.00 1.20 -2.54 2.52 2.02 -1.67 -3.45 112.91 109.99 1s6n h THR 66 Ca -0.34 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1s6n h THR 66 Cb 1.22 -0.07 -0.19 0.00 -1.74 0.00 0.00 68.15 67.36 1s6n h THR 66 CO -0.21 0.21 -0.05 0.54 0.37 0.00 0.00 175.52 176.39 1s6n s VAL 67 N -6.12 0.03 0.49 3.16 0.11 -1.26 -5.02 120.40 111.79 1s6n s VAL 67 Ca -0.13 -0.25 -0.22 0.00 -2.93 0.00 0.00 61.98 58.46 1s6n s VAL 67 Cb 0.17 -0.80 -0.07 0.00 -1.53 0.00 0.00 36.38 34.15 1s6n s VAL 67 CO 0.80 -0.14 1.17 0.20 -3.33 0.00 0.00 175.10 173.81 1s6n s ASN 68 N -1.27 5.93 -1.32 3.54 0.01 -1.26 -4.78 114.94 115.79 1s6n s ASN 68 Ca -0.12 2.32 -0.17 0.00 -0.71 0.00 0.00 52.86 54.17 1s6n s ASN 68 Cb -0.03 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1s6n s ASN 68 CO 0.07 -1.08 1.90 -0.81 -1.51 0.00 0.00 177.10 175.67 1s6n n PRO 69 N -0.79 2.93 -3.71 -0.60 -0.04 -1.25 -4.87 135.00 126.68 1s6n n PRO 69 Ca 0.09 -2.98 -0.15 0.00 -0.04 0.00 0.00 63.50 60.41 1s6n n PRO 69 Cb 0.49 -3.44 -0.15 0.00 -0.04 0.00 0.00 33.50 30.36 1s6n n PRO 69 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1s6n s PHE 70 N 4.44 -0.17 -0.92 0.54 2.19 -1.26 -2.92 117.98 119.88 1s6n s PHE 70 Ca 0.53 0.54 -0.21 0.00 0.33 0.00 0.00 56.93 58.12 1s6n s PHE 70 Cb 0.07 -0.18 0.10 0.00 -1.31 0.00 0.00 43.02 41.70 1s6n s PHE 70 CO 0.04 -0.22 1.20 0.08 1.83 0.00 0.00 175.22 178.15 1s6n s VAL 71 N 1.73 4.44 0.55 3.12 1.01 0.67 -4.88 120.40 127.04 1s6n s VAL 71 Ca -0.03 -1.17 0.23 0.00 0.00 0.00 0.00 61.98 61.02 1s6n s VAL 71 Cb -0.12 -4.85 0.34 0.00 0.00 0.00 0.00 36.38 31.75 1s6n s VAL 71 CO -0.06 -1.63 2.11 -1.28 0.00 0.00 0.00 175.10 174.24 1s6n h SER 72 N 9.21 0.00 -5.09 3.32 0.87 -1.90 -2.36 113.55 117.59 1s6n h SER 72 Ca 0.11 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1s6n h SER 72 Cb 1.03 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.85 1s6n h SER 72 CO 1.21 0.00 -0.17 0.68 -0.53 0.00 0.00 176.83 178.02 1s6n s VAL 73 N -4.89 0.09 0.43 2.23 -7.23 -1.26 -4.86 120.40 104.91 1s6n s VAL 73 Ca -0.05 -0.72 0.30 0.00 -1.81 0.00 0.00 61.98 59.70 1s6n s VAL 73 Cb 0.17 -1.15 0.32 0.00 0.56 0.00 0.00 36.38 36.28 1s6n s VAL 73 CO 0.64 -0.40 2.11 0.00 -0.31 0.00 0.00 175.10 177.14 1s6n h ALA 74 N 2.64 1.26 0.00 1.32 0.00 -1.87 -3.19 119.26 119.41 1s6n h ALA 74 Ca -0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s6n h ALA 74 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s6n h ALA 74 CO 0.49 0.11 0.00 2.41 0.00 0.00 0.00 179.25 182.26 1s6n n THR 75 N -3.56 0.00 1.10 0.00 -1.04 -1.26 -4.04 114.28 105.47 1s6n n THR 75 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1s6n n THR 75 Cb 0.21 -0.88 0.05 0.00 -1.82 0.00 0.00 70.33 67.90 1s6n n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6n n ALA 76 N -0.97 2.06 0.10 2.41 0.00 -1.21 -4.58 120.51 118.33 1s6n n ALA 76 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s6n n ALA 76 Cb 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.55 0.07 -4.45 0.00 4.13 -1.26 -4.61 115.26 108.58 1s6n n ASN 77 Ca 0.01 -0.16 -0.29 0.00 1.68 0.00 0.00 54.58 55.82 1s6n n ASN 77 Cb 0.01 -0.03 0.14 0.00 -1.54 0.00 0.00 39.78 38.36 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 -1.17 2.51 -0.36 5.41 0.00 -1.26 -4.60 121.76 122.29 1s6n s ALA 78 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1s6n s ALA 78 Cb 0.00 -2.77 0.11 0.00 0.00 0.00 0.00 23.12 20.45 1s6n s ALA 78 CO 0.00 -2.07 0.11 0.21 0.00 0.00 0.00 175.76 174.01 1s6n s LYS 79 N -5.71 1.16 -0.11 0.00 2.36 -1.26 -0.55 119.74 115.63 1s6n s LYS 79 Ca 0.69 -1.62 -0.04 0.00 -2.55 0.00 0.00 55.97 52.45 1s6n s LYS 79 Cb -0.07 -2.57 0.06 0.00 -1.05 0.00 0.00 37.83 34.20 1s6n s LYS 79 CO 0.51 -1.01 0.21 0.54 1.55 0.00 0.00 175.35 177.15 1s6n s VAL 80 N 1.03 -0.33 0.44 4.02 0.11 0.07 -4.98 120.40 120.76 1s6n s VAL 80 Ca 0.12 0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 1s6n s VAL 80 Cb -0.20 -0.39 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1s6n s VAL 80 CO -0.13 0.10 1.42 0.18 -3.33 0.00 0.00 175.10 173.34 1s6n n LEU 81 N 5.34 4.96 -4.02 2.54 4.77 -1.26 -3.05 117.00 126.27 1s6n n LEU 81 Ca -0.05 1.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.93 1s6n n LEU 81 Cb 0.50 -1.59 -0.12 0.00 -2.33 0.00 0.00 43.42 39.87 1s6n n LEU 81 CO 0.04 -0.17 -0.39 -0.63 -1.33 0.00 0.00 177.39 174.90 1s6n s ILE 82 N -1.18 0.43 -0.11 -0.08 1.01 0.55 -4.97 121.20 116.85 1s6n s ILE 82 Ca 0.60 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 1s6n s ILE 82 Cb -0.46 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1s6n s ILE 82 CO 0.58 -0.31 0.17 -1.61 0.00 0.00 0.00 174.94 173.78 1s6n s GLU 83 N -1.26 3.53 0.33 2.79 2.02 -1.26 -0.64 118.70 124.21 1s6n s GLU 83 Ca -0.09 -0.07 0.08 0.00 0.02 0.00 0.00 54.97 54.91 1s6n s GLU 83 Cb -0.08 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.88 1s6n s GLU 83 CO 0.00 0.75 -0.06 -0.51 0.02 0.00 0.00 175.26 175.45 1s6n s LEU 84 N -0.96 2.64 -0.32 1.80 1.02 -0.32 -0.92 118.68 121.61 1s6n s LEU 84 Ca 0.16 -1.23 -0.16 0.00 0.02 0.00 0.00 54.13 52.92 1s6n s LEU 84 Cb -0.13 -0.84 -0.02 0.00 0.02 0.00 0.00 46.19 45.23 1s6n s LEU 84 CO 0.05 -0.30 0.41 -0.70 0.02 0.00 0.00 176.35 175.83 1s6n s GLU 85 N -3.68 3.75 -0.46 1.70 2.12 0.47 -0.31 118.70 122.30 1s6n s GLU 85 Ca 0.32 -0.17 -0.16 0.00 0.36 0.00 0.00 54.97 55.32 1s6n s GLU 85 Cb 0.04 -3.75 0.05 0.00 0.26 0.00 0.00 34.13 30.73 1s6n s GLU 85 CO 0.15 -0.47 0.43 -1.25 -0.54 0.00 0.00 175.26 173.58 1s6n s PRO 86 N 2.15 3.02 0.58 4.30 0.04 -1.26 -3.68 135.00 140.16 1s6n s PRO 86 Ca 0.15 -1.09 -0.18 0.00 0.04 0.00 0.00 61.00 59.92 1s6n s PRO 86 Cb -0.16 -4.06 -0.11 0.00 0.04 0.00 0.00 34.50 30.21 1s6n s PRO 86 CO 0.11 -0.97 0.24 -2.30 0.04 0.00 0.00 177.00 174.12 1s6n n PRO 87 N 5.44 0.28 -2.04 0.56 -0.02 -1.26 -4.91 135.00 133.05 1s6n n PRO 87 Ca -0.10 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 1s6n n PRO 87 Cb 0.45 -1.44 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 1s6n n PRO 87 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1s6n s PHE 88 N -1.85 3.47 0.00 6.00 0.40 -1.26 -3.82 117.98 120.91 1s6n s PHE 88 Ca 0.63 1.06 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 1s6n s PHE 88 Cb -0.44 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1s6n s PHE 88 CO 0.60 -0.82 0.00 0.41 0.70 0.00 0.00 175.22 176.11 1s6n n GLY 89 N -2.76 1.89 3.46 4.36 0.00 -1.15 -4.78 105.19 106.22 1s6n n GLY 89 Ca 0.05 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 3.79 -0.21 1.61 1.11 -1.26 -0.36 116.67 117.35 1s6n s ASP 90 Ca 0.00 -0.53 -0.05 0.00 0.18 0.00 0.00 52.55 52.16 1s6n s ASP 90 Cb 0.00 -0.53 0.07 0.00 1.07 0.00 0.00 42.92 43.53 1s6n s ASP 90 CO 0.00 0.21 0.10 -0.44 1.18 0.00 0.00 175.17 176.22 1s6n s SER 91 N -1.86 2.76 -0.16 0.27 0.01 0.20 -4.39 113.70 110.54 1s6n s SER 91 Ca 0.16 -0.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 1s6n s SER 91 Cb -0.10 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1s6n s SER 91 CO 0.08 -0.38 -0.05 -0.31 0.41 0.00 0.00 173.24 172.99 1s6n s TYR 92 N 2.10 2.98 -0.27 2.43 2.02 0.58 -0.13 117.35 127.07 1s6n s TYR 92 Ca 0.04 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1s6n s TYR 92 Cb -0.16 -1.95 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1s6n s TYR 92 CO -0.18 -0.10 -0.05 0.42 -1.57 0.00 0.00 175.55 174.07 1s6n s ILE 93 N 0.45 2.75 -0.06 2.71 -1.09 0.38 -0.68 121.20 125.66 1s6n s ILE 93 Ca -0.05 -1.33 0.05 0.00 -2.23 0.00 0.00 60.65 57.10 1s6n s ILE 93 Cb -0.15 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1s6n s ILE 93 CO 0.03 0.01 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.83 1s6n s VAL 94 N 1.24 2.21 -0.30 2.92 1.01 -0.27 -0.53 120.40 126.68 1s6n s VAL 94 Ca -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1s6n s VAL 94 Cb -0.19 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.48 1s6n s VAL 94 CO -0.03 0.57 0.11 -0.69 0.00 0.00 0.00 175.10 175.06 1s6n s VAL 95 N -0.18 0.37 -3.24 2.92 1.01 0.34 -0.52 120.40 121.09 1s6n s VAL 95 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1s6n s VAL 95 Cb -0.14 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1s6n s VAL 95 CO 0.03 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.05 1s6n n GLY 96 N 5.06 0.87 2.91 4.51 0.00 0.49 -0.19 105.19 118.83 1s6n n GLY 96 Ca -0.04 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.13 0.15 0.00 1.61 1.70 -0.25 -4.75 118.95 116.28 1s6n s ARG 97 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 1s6n s ARG 97 Cb 0.00 -0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 1s6n s ARG 97 CO 0.00 0.03 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 1s6n n GLY 98 N 2.88 0.00 0.27 3.88 0.00 -1.26 -0.12 105.19 110.84 1s6n n GLY 98 Ca -0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.76 1.61 9.09 -2.05 -3.41 114.58 117.07 1s6n h GLU 99 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 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 0.02 -0.80 1.14 0.05 0.00 0.00 179.01 179.42 1s6n s GLN 100 N -3.69 0.34 0.07 1.06 -2.07 0.82 -5.14 119.66 111.06 1s6n s GLN 100 Ca 0.01 -0.82 -0.06 0.00 -1.82 0.00 0.00 55.36 52.66 1s6n s GLN 100 Cb 0.09 -1.25 -0.01 0.00 -1.09 0.00 0.00 33.01 30.75 1s6n s GLN 100 CO 0.55 -1.08 0.12 1.14 -1.32 0.00 0.00 175.29 174.70 1s6n s GLN 101 N 1.73 0.74 0.17 9.60 1.03 -1.26 -1.09 119.66 130.59 1s6n s GLN 101 Ca 0.12 -0.98 0.02 0.00 0.04 0.00 0.00 55.36 54.56 1s6n s GLN 101 Cb -0.18 0.29 -0.05 0.00 0.03 0.00 0.00 33.01 33.10 1s6n s GLN 101 CO -0.24 -0.21 -0.01 0.96 -2.54 0.00 0.00 175.29 173.26 1s6n s ILE 102 N -3.65 0.72 0.11 3.63 -0.00 0.73 -4.98 121.20 117.77 1s6n s ILE 102 Ca 0.04 -1.99 -0.11 0.00 -0.00 0.00 0.00 60.65 58.59 1s6n s ILE 102 Cb 0.05 -2.10 0.01 0.00 -0.00 0.00 0.00 42.46 40.41 1s6n s ILE 102 CO -0.10 -0.50 0.26 0.54 -0.00 0.00 0.00 174.94 175.15 1s6n s ASN 103 N -3.18 0.01 0.20 4.36 2.20 -1.26 -0.51 114.94 116.77 1s6n s ASN 103 Ca 0.23 -0.59 0.01 0.00 -0.94 0.00 0.00 52.86 51.57 1s6n s ASN 103 Cb 0.06 0.39 -0.05 0.00 -2.00 0.00 0.00 41.25 39.65 1s6n s ASN 103 CO 0.04 -0.79 0.06 -2.28 -2.94 0.00 0.00 177.10 171.19 1s6n s HIS 104 N -3.86 1.28 0.29 1.54 2.46 0.31 -5.00 115.29 112.31 1s6n s HIS 104 Ca 0.06 -1.16 0.11 0.00 0.47 0.00 0.00 55.06 54.53 1s6n s HIS 104 Cb 0.04 -0.72 -0.05 0.00 -0.13 0.00 0.00 32.58 31.71 1s6n s HIS 104 CO -0.10 -0.36 -0.16 -3.38 -2.47 0.00 0.00 174.74 168.27 1s6n s HIS 105 N -3.82 2.25 0.08 3.88 -3.43 -1.26 -0.47 115.29 112.52 1s6n s HIS 105 Ca 0.31 -0.41 -0.14 0.00 -0.80 0.00 0.00 55.06 54.02 1s6n s HIS 105 Cb 0.07 -1.08 0.02 0.00 -1.43 0.00 0.00 32.58 30.17 1s6n s HIS 105 CO 0.08 0.63 0.34 -1.58 -2.00 0.00 0.00 174.74 172.22 1s6n s TRP 106 N -2.60 -0.12 -0.01 0.38 0.52 0.82 -4.86 118.94 113.06 1s6n s TRP 106 Ca 0.30 -0.12 -0.08 0.00 0.02 0.00 0.00 56.10 56.23 1s6n s TRP 106 Cb -0.02 0.15 0.01 0.00 -1.15 0.00 0.00 33.47 32.45 1s6n s TRP 106 CO 0.14 -0.60 0.16 -1.01 0.02 0.00 0.00 176.95 175.67 1s6n s HIS 107 N -3.23 -0.02 -0.22 -1.98 3.76 -1.26 -0.63 115.29 111.71 1s6n s HIS 107 Ca -0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 55.06 54.85 1s6n s HIS 107 Cb 0.01 -0.02 0.11 0.00 1.11 0.00 0.00 32.58 33.79 1s6n s HIS 107 CO -0.08 -0.26 0.44 -1.59 -0.85 0.00 0.00 174.74 172.40 1s6n s LYS 108 N -1.11 0.36 0.00 1.40 -2.85 0.52 -4.92 119.74 113.14 1s6n s LYS 108 Ca -0.12 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 55.79 1s6n s LYS 108 Cb -0.06 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1s6n s LYS 108 CO 0.01 -0.37 0.00 -1.13 0.10 0.00 0.00 175.35 173.97 1s6n n SER 109 N 5.39 0.00 0.00 0.03 3.41 -1.00 -2.95 113.62 118.51 1s6n n SER 109 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1s6n n SER 109 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.03 0.96 0.00 5.00 0.00 0.35 -4.94 105.19 106.53 1s6n n GLY 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s6n n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6n n SER 111 N 0.00 0.00 -0.37 1.61 2.88 0.84 -4.62 113.62 113.96 1s6n n SER 111 Ca 0.00 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 57.90 1s6n n SER 111 Cb 0.00 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.18 1s6n n SER 111 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1s6n h SER 112 N 0.00 0.08 -0.26 -3.46 4.64 -1.87 0.18 113.55 112.86 1s6n h SER 112 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1s6n h SER 112 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1s6n h SER 112 CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58 1s6n n ILE 113 N -4.25 1.15 -2.13 0.95 2.08 -1.26 -4.98 119.36 110.91 1s6n n ILE 113 Ca 0.28 -1.12 0.00 0.00 0.56 0.00 0.00 62.75 62.48 1s6n n ILE 113 Cb 1.29 0.41 0.00 0.00 -0.75 0.00 0.00 39.64 40.59 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s6n n GLY 114 N 0.17 0.67 0.00 7.39 0.00 0.62 -5.13 105.19 108.91 1s6n n GLY 114 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1s6n n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49