#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 0.23 -0.43 4.38 0.15 -1.26 -4.33 113.70 112.44 1s6n s SER 2 Ca 0.00 -1.21 -0.27 0.00 0.70 0.00 0.00 55.95 55.17 1s6n s SER 2 Cb 0.00 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1s6n s SER 2 CO 0.00 -1.07 2.05 -1.61 1.20 0.00 0.00 173.24 173.80 1s6n s GLU 3 N -3.86 2.79 0.09 5.44 8.01 -1.26 -4.94 118.70 124.96 1s6n s GLU 3 Ca 0.30 1.31 -0.32 0.00 0.01 0.00 0.00 54.97 56.26 1s6n s GLU 3 Cb 0.02 -4.38 -0.14 0.00 -4.31 0.00 0.00 34.13 25.32 1s6n s GLU 3 CO 0.13 -2.51 1.60 0.35 0.01 0.00 0.00 175.26 174.84 1s6n h PHE 4 N 15.56 -1.07 0.00 1.61 3.57 -2.03 -3.04 116.94 131.54 1s6n h PHE 4 Ca -0.30 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 1s6n h PHE 4 Cb 1.20 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 1s6n h PHE 4 CO 0.98 -0.54 -0.05 -0.56 -2.23 0.00 0.00 178.31 175.91 1s6n h GLN 5 N -0.79 0.00 -0.00 1.11 -0.00 -2.06 -3.26 115.11 110.11 1s6n h GLN 5 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1s6n h GLN 5 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.19 1s6n h GLN 5 CO -0.08 0.05 -0.01 -0.11 -0.00 0.00 0.00 178.83 178.68 1s6n n LEU 6 N -3.15 0.07 -0.61 0.06 7.94 -1.15 -4.22 117.00 115.94 1s6n n LEU 6 Ca 0.01 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1s6n n LEU 6 Cb 0.37 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.15 1s6n n LEU 6 CO 0.30 0.01 0.11 0.29 -1.11 0.00 0.00 177.39 176.99 1s6n n LYS 7 N -1.13 0.35 -3.73 1.96 4.76 -1.23 -4.58 118.16 114.56 1s6n n LYS 7 Ca 0.18 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.38 1s6n n LYS 7 Cb 0.20 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1s6n n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s6n n GLY 8 N 0.44 -1.27 0.42 0.72 0.00 -1.26 -4.79 105.19 99.45 1s6n n GLY 8 Ca 0.00 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 1s6n n GLY 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1s6n h THR 9 N -0.42 0.00 0.00 2.61 1.35 -1.89 -3.05 112.91 111.51 1s6n h THR 9 Ca -0.58 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1s6n h THR 9 Cb 1.36 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1s6n h THR 9 CO 0.38 0.00 0.01 1.07 -0.25 0.00 0.00 175.52 176.72 1s6n n THR 10 N -5.29 0.75 -5.13 6.82 5.66 -1.26 -4.64 114.28 111.20 1s6n n THR 10 Ca 0.01 0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.90 1s6n n THR 10 Cb 0.28 -1.20 -0.15 0.00 -1.55 0.00 0.00 70.33 67.71 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 -2.35 2.34 0.89 1.09 2.02 -1.16 -5.10 117.35 115.07 1s6n s TYR 11 Ca 0.00 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 1s6n s TYR 11 Cb 0.00 -1.46 0.13 0.00 -0.40 0.00 0.00 41.96 40.23 1s6n s TYR 11 CO 0.00 0.04 1.19 0.20 -1.57 0.00 0.00 175.55 175.41 1s6n s GLY 12 N -0.88 1.62 -0.83 0.71 0.00 -1.26 -4.36 107.32 102.32 1s6n s GLY 12 Ca 0.11 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 1s6n s GLY 12 CO 0.00 -0.15 1.35 0.54 0.00 0.00 0.00 173.10 174.85 1s6n s VAL 13 N -3.52 3.77 0.25 1.40 0.11 -1.26 -0.47 120.40 120.68 1s6n s VAL 13 Ca 0.65 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.61 1s6n s VAL 13 Cb -0.11 -4.94 0.05 0.00 -1.53 0.00 0.00 36.38 29.85 1s6n s VAL 13 CO 0.51 -1.86 0.61 0.00 -3.33 0.00 0.00 175.10 171.04 1s6n n SER 15 N -1.33 0.00 0.00 0.00 7.64 -1.26 -3.29 113.62 115.39 1s6n n SER 15 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1s6n n SER 15 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1s6n n SER 15 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1s6n n LYS 16 N -0.21 0.00 -2.46 1.43 4.81 -1.26 -4.69 118.16 115.77 1s6n n LYS 16 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 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 0.00 4.88 -2.34 3.14 0.00 -1.26 -4.93 120.51 120.00 1s6n n ALA 17 Ca 0.00 -4.23 -0.16 0.00 0.00 0.00 0.00 53.44 49.04 1s6n n ALA 17 Cb 0.00 -3.08 -0.10 0.00 0.00 0.00 0.00 19.45 16.26 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 1.16 1.41 -0.04 0.00 0.08 -1.26 -1.05 117.98 118.28 1s6n s PHE 18 Ca 0.42 -0.65 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 1s6n s PHE 18 Cb 0.06 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.82 1s6n s PHE 18 CO -0.00 0.17 0.12 0.21 -0.10 0.00 0.00 175.22 175.62 1s6n s LYS 19 N -3.42 0.18 0.48 0.44 2.20 0.19 -4.77 119.74 115.04 1s6n s LYS 19 Ca 0.16 0.12 -0.22 0.00 -0.36 0.00 0.00 55.97 55.67 1s6n s LYS 19 Cb -0.00 0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1s6n s LYS 19 CO 0.03 -0.03 1.14 0.12 -0.36 0.00 0.00 175.35 176.25 1s6n s PHE 20 N -0.07 2.85 0.07 4.03 2.19 -1.26 -0.24 117.98 125.54 1s6n s PHE 20 Ca -0.01 1.55 0.00 0.00 0.33 0.00 0.00 56.93 58.79 1s6n s PHE 20 Cb -0.02 -3.32 0.00 0.00 -1.31 0.00 0.00 43.02 38.38 1s6n s PHE 20 CO 0.00 -1.43 0.00 -0.11 1.83 0.00 0.00 175.22 175.51 1s6n n LEU 21 N -0.74 0.06 -4.25 6.12 0.00 0.13 -4.79 117.00 113.53 1s6n n LEU 21 Ca 0.09 0.11 -0.37 0.00 0.00 0.00 0.00 56.01 55.83 1s6n n LEU 21 Cb 0.49 0.05 -0.12 0.00 0.00 0.00 0.00 43.42 43.84 1s6n n LEU 21 CO 0.45 -0.47 -0.26 -0.83 0.00 0.00 0.00 177.39 176.28 1s6n s GLY 22 N -4.91 1.84 0.38 -3.96 0.00 -0.01 -4.96 107.32 95.70 1s6n s GLY 22 Ca 0.00 -1.79 -0.26 0.00 0.00 0.00 0.00 44.72 42.67 1s6n s GLY 22 CO 0.00 0.78 1.07 -1.30 0.00 0.00 0.00 173.10 173.64 1s6n n THR 23 N 4.78 2.27 -1.69 0.90 -2.24 -1.26 -0.70 114.28 116.35 1s6n n THR 23 Ca -0.12 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.77 1s6n n THR 23 Cb 0.44 -1.21 0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1s6n n THR 23 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1s6n n PRO 24 N 0.33 1.53 -3.80 -0.78 -0.04 -1.26 -4.75 135.00 126.22 1s6n n PRO 24 Ca 0.08 0.56 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 1s6n n PRO 24 Cb 0.37 -2.40 -0.16 0.00 -0.04 0.00 0.00 33.50 31.27 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 -1.32 0.13 0.23 0.55 0.00 -0.18 -4.99 121.76 116.18 1s6n s ALA 25 Ca 0.70 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1s6n s ALA 25 Cb -0.45 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1s6n s ALA 25 CO 0.51 -0.10 1.31 0.34 0.00 0.00 0.00 175.76 177.82 1s6n s ASP 26 N 1.06 6.87 0.00 0.00 -1.08 -1.26 -0.98 116.67 121.28 1s6n s ASP 26 Ca -0.09 2.47 0.12 0.00 -0.52 0.00 0.00 52.55 54.53 1s6n s ASP 26 Cb -0.13 -2.62 0.62 0.00 -1.46 0.00 0.00 42.92 39.34 1s6n s ASP 26 CO -0.03 -0.52 1.31 0.35 0.52 0.00 0.00 175.17 176.80 1s6n n THR 27 N 2.24 0.68 0.00 1.71 -2.24 0.75 -4.85 114.28 112.57 1s6n n THR 27 Ca 0.05 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1s6n n THR 27 Cb 0.42 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.23 2.11 0.46 3.38 0.00 -1.26 -4.75 105.19 104.89 1s6n n GLY 28 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.98 0.00 0.00 1.61 8.25 -1.26 -4.97 115.22 116.86 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 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 1.35 0.48 3.94 -1.41 0.00 -1.26 -5.10 105.19 103.18 1s6n n GLY 30 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 5.17 -0.23 2.61 -4.23 -1.26 -4.18 115.64 111.52 1s6n s THR 31 Ca 0.00 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.00 1s6n s THR 31 Cb 0.00 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1s6n s THR 31 CO 0.00 -0.30 0.05 0.68 -0.54 0.00 0.00 174.62 174.50 1s6n s VAL 32 N -2.01 4.23 -0.09 2.29 -7.23 0.58 -0.17 120.40 117.99 1s6n s VAL 32 Ca 0.39 -0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 60.05 1s6n s VAL 32 Cb -0.10 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1s6n s VAL 32 CO 0.31 0.38 0.99 0.68 -0.31 0.00 0.00 175.10 177.15 1s6n s VAL 33 N 1.32 4.81 0.04 1.32 -7.23 -0.15 -1.38 120.40 119.12 1s6n s VAL 33 Ca 0.05 2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 62.21 1s6n s VAL 33 Cb -0.15 -4.31 -0.02 0.00 0.56 0.00 0.00 36.38 32.47 1s6n s VAL 33 CO 0.03 0.04 0.06 -1.48 -0.31 0.00 0.00 175.10 173.43 1s6n s LEU 34 N 1.80 2.00 -0.05 1.32 -0.00 0.18 -1.01 118.68 122.92 1s6n s LEU 34 Ca 0.49 -0.64 0.04 0.00 -0.00 0.00 0.00 54.13 54.01 1s6n s LEU 34 Cb -0.19 0.47 -0.00 0.00 -0.00 0.00 0.00 46.19 46.47 1s6n s LEU 34 CO 0.20 -0.52 -0.17 -0.70 -0.00 0.00 0.00 176.35 175.16 1s6n s GLU 35 N -2.84 1.83 0.37 1.48 2.12 0.13 -0.04 118.70 121.74 1s6n s GLU 35 Ca -0.03 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.77 1s6n s GLU 35 Cb 0.00 -1.57 -0.07 0.00 0.26 0.00 0.00 34.13 32.75 1s6n s GLU 35 CO -0.06 0.23 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.36 1s6n s LEU 36 N 0.09 2.75 0.02 2.70 1.02 -1.06 -0.69 118.68 123.50 1s6n s LEU 36 Ca -0.05 -1.31 0.06 0.00 0.02 0.00 0.00 54.13 52.85 1s6n s LEU 36 Cb -0.12 -0.86 -0.02 0.00 0.02 0.00 0.00 46.19 45.21 1s6n s LEU 36 CO 0.03 -0.39 -0.18 0.00 0.02 0.00 0.00 176.35 175.83 1s6n s GLN 37 N -3.70 1.29 -0.63 1.70 -2.07 0.67 -0.55 119.66 116.38 1s6n s GLN 37 Ca 0.34 -0.79 -0.18 0.00 -1.82 0.00 0.00 55.36 52.92 1s6n s GLN 37 Cb 0.07 -1.33 0.13 0.00 -1.09 0.00 0.00 33.01 30.79 1s6n s GLN 37 CO 0.17 0.35 0.68 -0.47 -1.32 0.00 0.00 175.29 174.70 1s6n s TYR 38 N -0.67 3.16 -2.00 9.60 6.14 0.09 -0.63 117.35 133.04 1s6n s TYR 38 Ca 0.06 -1.20 0.02 0.00 0.64 0.00 0.00 57.07 56.59 1s6n s TYR 38 Cb -0.08 -3.95 0.12 0.00 0.42 0.00 0.00 41.96 38.46 1s6n s TYR 38 CO 0.01 -1.20 0.99 0.25 0.64 0.00 0.00 175.55 176.24 1s6n n THR 39 N 5.28 0.00 -4.08 4.34 -2.24 -0.21 -4.42 114.28 112.95 1s6n n THR 39 Ca -0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1s6n n THR 39 Cb 0.43 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.15 1.11 0.00 3.38 0.00 -1.26 -4.96 107.32 104.44 1s6n s GLY 40 Ca 0.03 -1.30 0.25 0.00 0.00 0.00 0.00 44.72 43.70 1s6n s GLY 40 CO 0.02 -0.93 1.42 -1.30 0.00 0.00 0.00 173.10 172.31 1s6n n THR 41 N -0.43 0.00 -4.31 0.90 -2.24 -1.26 -4.60 114.28 102.33 1s6n n THR 41 Ca 0.00 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 1s6n n THR 41 Cb 0.63 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 1s6n n THR 41 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1s6n s ASP 42 N -2.14 1.28 0.00 3.42 -4.77 -1.26 -4.73 116.67 108.48 1s6n s ASP 42 Ca 0.29 -1.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.03 1s6n s ASP 42 Cb 0.20 0.36 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 1s6n s ASP 42 CO 0.38 -0.86 0.00 0.61 0.70 0.00 0.00 175.17 176.00 1s6n n GLY 43 N -0.52 0.94 3.46 2.12 0.00 -1.26 -4.79 105.19 105.13 1s6n n GLY 43 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 0.68 -3.56 1.61 -0.02 -1.26 -4.76 135.00 127.69 1s6n n PRO 44 Ca 0.00 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1s6n n PRO 44 Cb 0.00 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 -3.52 3.40 -0.10 0.00 2.20 0.37 -0.44 119.74 121.66 1s6n s LYS 46 Ca 0.05 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 1s6n s LYS 46 Cb -0.02 -4.79 -0.07 0.00 -1.51 0.00 0.00 37.83 31.44 1s6n s LYS 46 CO -0.07 -2.09 2.09 1.55 -0.36 0.00 0.00 175.35 176.47 1s6n n VAL 47 N 6.44 0.54 -2.60 4.02 3.14 -1.08 -2.39 118.33 126.39 1s6n n VAL 47 Ca 0.18 -0.29 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 1s6n n VAL 47 Cb 0.49 -2.38 -0.01 0.00 -1.06 0.00 0.00 33.84 30.88 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 5.39 3.87 -0.01 1.45 0.04 -1.26 -4.77 135.00 139.71 1s6n s PRO 48 Ca 0.96 -1.77 0.05 0.00 0.04 0.00 0.00 61.00 60.28 1s6n s PRO 48 Cb -0.42 -5.44 -0.01 0.00 0.04 0.00 0.00 34.50 28.66 1s6n s PRO 48 CO 0.40 -2.20 -0.17 -1.50 0.04 0.00 0.00 177.00 173.57 1s6n s ILE 49 N 4.26 1.31 0.16 0.56 2.07 -1.26 -0.59 121.20 127.70 1s6n s ILE 49 Ca 0.50 -0.72 -0.02 0.00 -1.41 0.00 0.00 60.65 59.00 1s6n s ILE 49 Cb 0.02 -1.09 -0.04 0.00 0.13 0.00 0.00 42.46 41.49 1s6n s ILE 49 CO 0.02 0.35 0.10 -0.55 -1.91 0.00 0.00 174.94 172.96 1s6n s SER 50 N -0.43 0.23 -0.24 4.50 0.15 -0.01 -4.97 113.70 112.95 1s6n s SER 50 Ca 0.06 -1.23 -0.04 0.00 0.70 0.00 0.00 55.95 55.44 1s6n s SER 50 Cb -0.06 0.34 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1s6n s SER 50 CO -0.01 -0.78 0.10 -0.55 1.20 0.00 0.00 173.24 173.20 1s6n s SER 51 N -3.08 3.06 0.27 5.45 0.15 -1.26 -2.78 113.70 115.52 1s6n s SER 51 Ca 0.28 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 55.94 1s6n s SER 51 Cb 0.07 -0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 1s6n s SER 51 CO 0.05 -0.39 0.07 0.68 1.20 0.00 0.00 173.24 174.85 1s6n s VAL 52 N 2.05 0.82 -1.28 4.45 -7.23 -0.51 -0.78 120.40 117.91 1s6n s VAL 52 Ca 0.05 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1s6n s VAL 52 Cb -0.16 -2.62 0.09 0.00 0.56 0.00 0.00 36.38 34.25 1s6n s VAL 52 CO -0.22 -0.07 0.85 0.00 -0.31 0.00 0.00 175.10 175.35 1s6n n ALA 53 N -0.51 2.47 -2.16 1.32 0.00 -1.26 -0.19 120.51 120.18 1s6n n ALA 53 Ca -0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 1s6n n ALA 53 Cb 0.66 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 0.58 -0.15 -0.06 0.00 7.64 -1.26 -4.57 113.62 115.80 1s6n n SER 54 Ca 0.06 -1.87 -0.01 0.00 1.01 0.00 0.00 58.87 58.06 1s6n n SER 54 Cb 0.27 0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.16 0.84 -2.46 -3.43 0.00 -1.26 -4.88 117.00 105.97 1s6n n LEU 55 Ca -0.11 0.02 -0.12 0.00 0.00 0.00 0.00 56.01 55.80 1s6n n LEU 55 Cb 0.82 -2.38 -0.08 0.00 0.00 0.00 0.00 43.42 41.78 1s6n n LEU 55 CO -0.08 -0.93 1.52 -0.46 0.00 0.00 0.00 177.39 177.43 1s6n n ASN 56 N -0.74 3.74 0.00 1.96 6.94 -1.26 -4.76 115.26 121.14 1s6n n ASN 56 Ca -0.01 -2.16 0.03 0.00 -0.02 0.00 0.00 54.58 52.42 1s6n n ASN 56 Cb 0.47 -0.94 0.16 0.00 -2.36 0.00 0.00 39.78 37.11 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 3.07 0.00 0.00 0.53 2.03 -1.26 -2.13 116.55 118.79 1s6n n ASP 57 Ca 0.32 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.94 1s6n n ASP 57 Cb 0.45 -0.37 0.02 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.37 0.00 -3.46 -2.67 -0.00 -1.26 -4.38 117.00 103.86 1s6n n LEU 58 Ca 0.03 0.29 -0.05 0.00 -0.00 0.00 0.00 56.01 56.28 1s6n n LEU 58 Cb 0.06 -0.29 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 1s6n n LEU 58 CO 0.05 -0.28 0.06 -0.89 -0.00 0.00 0.00 177.39 176.33 1s6n s THR 59 N -2.58 -0.76 -0.29 1.47 2.01 -0.91 -5.13 115.64 109.45 1s6n s THR 59 Ca 0.01 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1s6n s THR 59 Cb 0.01 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1s6n s THR 59 CO 0.01 -0.02 1.77 -2.16 -0.69 0.00 0.00 174.62 173.54 1s6n s PRO 60 N 2.68 3.45 0.08 4.92 0.04 -1.26 -4.88 135.00 140.03 1s6n s PRO 60 Ca 0.07 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 1s6n s PRO 60 Cb -0.14 -4.17 -0.22 0.00 0.04 0.00 0.00 34.50 30.02 1s6n s PRO 60 CO -0.16 -1.72 1.21 0.28 0.04 0.00 0.00 177.00 176.65 1s6n h VAL 61 N 6.66 1.29 -3.19 -0.36 2.07 -1.69 0.33 116.25 121.34 1s6n h VAL 61 Ca -0.34 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1s6n h VAL 61 Cb 1.17 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1s6n h VAL 61 CO 1.02 0.70 0.00 0.61 0.02 0.00 0.00 177.57 179.91 1s6n n GLY 62 N 1.05 2.64 3.47 2.17 0.00 0.04 -0.30 105.19 114.25 1s6n n GLY 62 Ca -0.10 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 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 1.81 1.85 -0.11 1.61 1.70 -0.15 0.14 118.95 125.80 1s6n s ARG 63 Ca 0.00 -2.11 -0.08 0.00 -0.47 0.00 0.00 55.73 53.07 1s6n s ARG 63 Cb 0.00 -0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 1s6n s ARG 63 CO 0.00 -0.45 0.16 -0.51 -1.08 0.00 0.00 175.30 173.42 1s6n s LEU 64 N -3.55 4.39 -0.10 -1.89 1.02 -1.26 -0.60 118.68 116.69 1s6n s LEU 64 Ca 0.27 0.50 -0.09 0.00 0.02 0.00 0.00 54.13 54.84 1s6n s LEU 64 Cb 0.03 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 1s6n s LEU 64 CO 0.16 0.39 -0.19 0.52 0.02 0.00 0.00 176.35 177.24 1s6n n VAL 65 N 2.03 1.12 0.11 -1.59 0.31 -0.45 -4.70 118.33 115.16 1s6n n VAL 65 Ca -0.19 0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 1s6n n VAL 65 Cb 0.55 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 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 -0.55 0.45 -3.46 2.52 2.02 -1.77 -3.43 112.91 108.70 1s6n h THR 66 Ca -0.19 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1s6n h THR 66 Cb 0.93 0.45 -0.21 0.00 -1.74 0.00 0.00 68.15 67.58 1s6n h THR 66 CO -0.11 0.00 -0.48 -0.69 0.37 0.00 0.00 175.52 174.61 1s6n s VAL 67 N -6.07 0.07 0.79 3.16 1.01 -1.26 -5.03 120.40 113.07 1s6n s VAL 67 Ca -0.15 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1s6n s VAL 67 Cb 0.08 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 36.10 1s6n s VAL 67 CO 0.65 -0.33 1.11 0.20 0.00 0.00 0.00 175.10 176.73 1s6n s ASN 68 N -1.22 4.25 -1.25 3.32 0.01 -1.26 -4.86 114.94 113.93 1s6n s ASN 68 Ca -0.13 1.93 -0.16 0.00 -0.71 0.00 0.00 52.86 53.79 1s6n s ASN 68 Cb -0.07 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1s6n s ASN 68 CO 0.02 -2.21 2.15 -0.81 -1.51 0.00 0.00 177.10 174.74 1s6n n PRO 69 N -3.51 2.45 -3.67 -0.60 -0.04 -1.26 -4.81 135.00 123.56 1s6n n PRO 69 Ca 0.10 -2.36 -0.16 0.00 -0.04 0.00 0.00 63.50 61.03 1s6n n PRO 69 Cb 0.53 -3.17 -0.15 0.00 -0.04 0.00 0.00 33.50 30.67 1s6n n PRO 69 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1s6n s PHE 70 N 3.73 -0.19 -0.84 0.54 -0.71 -1.26 -2.65 117.98 116.59 1s6n s PHE 70 Ca 0.50 0.63 -0.25 0.00 -1.04 0.00 0.00 56.93 56.78 1s6n s PHE 70 Cb 0.14 -0.24 0.05 0.00 -1.21 0.00 0.00 43.02 41.76 1s6n s PHE 70 CO -0.03 -0.27 1.30 0.08 -1.34 0.00 0.00 175.22 174.96 1s6n s VAL 71 N 2.28 3.92 -1.61 -2.49 1.01 0.41 -4.89 120.40 119.02 1s6n s VAL 71 Ca 0.03 -0.21 0.25 0.00 0.00 0.00 0.00 61.98 62.04 1s6n s VAL 71 Cb -0.12 -4.94 0.53 0.00 0.00 0.00 0.00 36.38 31.85 1s6n s VAL 71 CO -0.06 -1.82 1.84 -0.24 0.00 0.00 0.00 175.10 174.82 1s6n n SER 72 N 8.85 0.00 -3.83 3.32 2.88 -1.26 -0.78 113.62 122.80 1s6n n SER 72 Ca 0.14 -0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 1s6n n SER 72 Cb 0.49 -0.19 -0.11 0.00 -0.75 0.00 0.00 64.21 63.65 1s6n n SER 72 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1s6n s VAL 73 N -2.39 0.03 0.27 2.46 -7.23 -1.26 -4.89 120.40 107.39 1s6n s VAL 73 Ca 0.28 -0.26 0.35 0.00 -1.81 0.00 0.00 61.98 60.53 1s6n s VAL 73 Cb 0.17 -0.33 0.38 0.00 0.56 0.00 0.00 36.38 37.16 1s6n s VAL 73 CO 0.35 -0.15 2.07 0.00 -0.31 0.00 0.00 175.10 177.07 1s6n h ALA 74 N 5.23 1.04 0.00 1.32 0.00 -1.89 -3.23 119.26 121.73 1s6n h ALA 74 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s6n h ALA 74 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1s6n h ALA 74 CO 0.40 0.04 0.00 2.41 0.00 0.00 0.00 179.25 182.10 1s6n n THR 75 N -3.18 0.00 0.77 0.00 -1.04 -1.26 -4.22 114.28 105.35 1s6n n THR 75 Ca -0.01 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1s6n n THR 75 Cb 0.26 -0.53 0.07 0.00 -1.82 0.00 0.00 70.33 68.31 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 -0.77 1.90 0.24 2.41 0.00 -1.22 -4.62 120.51 118.46 1s6n n ALA 76 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1s6n n ALA 76 Cb 0.03 -1.04 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 -0.59 0.20 -4.71 0.00 4.13 -1.26 -4.59 115.26 108.43 1s6n n ASN 77 Ca 0.02 -0.44 -0.25 0.00 1.68 0.00 0.00 54.58 55.58 1s6n n ASN 77 Cb 0.01 -0.10 0.10 0.00 -1.54 0.00 0.00 39.78 38.25 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 -1.10 3.24 -0.47 5.41 0.00 -1.26 -4.57 121.76 123.02 1s6n s ALA 78 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1s6n s ALA 78 Cb 0.00 -2.39 0.11 0.00 0.00 0.00 0.00 23.12 20.83 1s6n s ALA 78 CO 0.00 -1.49 0.35 0.21 0.00 0.00 0.00 175.76 174.82 1s6n s LYS 79 N -5.28 2.62 -0.13 0.00 2.20 -1.26 -0.73 119.74 117.16 1s6n s LYS 79 Ca 0.64 -1.64 -0.03 0.00 -0.36 0.00 0.00 55.97 54.58 1s6n s LYS 79 Cb -0.08 -3.95 0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1s6n s LYS 79 CO 0.45 -1.13 0.04 0.54 -0.36 0.00 0.00 175.35 174.89 1s6n s VAL 80 N 1.43 0.29 0.13 4.02 0.11 0.29 -4.99 120.40 121.68 1s6n s VAL 80 Ca 0.04 -0.16 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 1s6n s VAL 80 Cb -0.26 -0.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 1s6n s VAL 80 CO 0.01 -0.03 1.50 -0.22 -3.33 0.00 0.00 175.10 173.04 1s6n s LEU 81 N 1.98 4.37 0.07 2.54 1.98 -1.26 -2.57 118.68 125.79 1s6n s LEU 81 Ca 0.02 2.47 0.06 0.00 -2.89 0.00 0.00 54.13 53.80 1s6n s LEU 81 Cb -0.15 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.09 1s6n s LEU 81 CO -0.07 -0.76 -0.17 -0.63 -1.89 0.00 0.00 176.35 172.83 1s6n s ILE 82 N 1.35 1.37 -0.12 6.68 1.01 0.94 -4.97 121.20 127.45 1s6n s ILE 82 Ca 0.68 -1.31 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1s6n s ILE 82 Cb -0.40 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1s6n s ILE 82 CO 0.31 -0.07 0.05 -1.61 0.00 0.00 0.00 174.94 173.62 1s6n s GLU 83 N -1.60 3.41 0.30 2.79 2.02 -1.26 -0.64 118.70 123.71 1s6n s GLU 83 Ca 0.03 -0.32 0.10 0.00 0.02 0.00 0.00 54.97 54.79 1s6n s GLU 83 Cb -0.09 -3.02 -0.06 0.00 0.10 0.00 0.00 34.13 31.06 1s6n s GLU 83 CO 0.03 0.58 -0.13 -0.51 0.02 0.00 0.00 175.26 175.25 1s6n s LEU 84 N -0.51 2.64 -0.28 1.80 1.02 -0.48 -1.34 118.68 121.52 1s6n s LEU 84 Ca 0.10 -1.13 0.03 0.00 0.02 0.00 0.00 54.13 53.15 1s6n s LEU 84 Cb -0.12 -0.96 0.07 0.00 0.02 0.00 0.00 46.19 45.20 1s6n s LEU 84 CO 0.02 -0.14 -0.06 -0.70 0.02 0.00 0.00 176.35 175.49 1s6n s GLU 85 N -3.59 1.95 -0.07 1.70 2.12 0.24 -0.31 118.70 120.72 1s6n s GLU 85 Ca 0.30 -1.43 -0.01 0.00 0.36 0.00 0.00 54.97 54.19 1s6n s GLU 85 Cb -0.00 -2.91 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 1s6n s GLU 85 CO 0.15 -0.67 0.00 -1.25 -0.54 0.00 0.00 175.26 172.94 1s6n s PRO 86 N 1.10 2.96 0.99 4.30 0.04 -1.26 -0.97 135.00 142.15 1s6n s PRO 86 Ca -0.03 -0.43 -0.14 0.00 0.04 0.00 0.00 61.00 60.43 1s6n s PRO 86 Cb -0.20 -2.78 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1s6n s PRO 86 CO -0.06 0.69 0.24 -2.30 0.04 0.00 0.00 177.00 175.61 1s6n n PRO 87 N 2.04 -0.55 -1.08 0.56 -0.02 -1.26 -4.80 135.00 129.89 1s6n n PRO 87 Ca -0.18 -0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 60.88 1s6n n PRO 87 Cb 0.53 -1.77 0.16 0.00 -0.02 0.00 0.00 33.50 32.41 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 -2.34 2.11 0.00 6.00 0.40 -1.26 -4.44 117.98 118.45 1s6n s PHE 88 Ca 0.55 1.23 0.00 0.00 -0.60 0.00 0.00 56.93 58.12 1s6n s PHE 88 Cb -0.19 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.16 1s6n s PHE 88 CO 0.68 -2.70 0.00 0.41 0.70 0.00 0.00 175.22 174.31 1s6n n GLY 89 N -0.80 1.38 3.48 4.36 0.00 -0.77 -4.91 105.19 107.94 1s6n n GLY 89 Ca 0.06 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 3.64 -0.25 1.61 1.11 -1.26 -0.10 116.67 117.42 1s6n s ASP 90 Ca 0.00 -1.00 -0.14 0.00 0.18 0.00 0.00 52.55 51.59 1s6n s ASP 90 Cb 0.00 -0.33 0.08 0.00 1.07 0.00 0.00 42.92 43.73 1s6n s ASP 90 CO 0.00 0.04 0.61 -0.44 1.18 0.00 0.00 175.17 176.56 1s6n s SER 91 N -3.49 -0.83 -0.06 0.27 0.01 0.03 -4.66 113.70 104.98 1s6n s SER 91 Ca 0.30 1.34 -0.01 0.00 1.31 0.00 0.00 55.95 58.89 1s6n s SER 91 Cb -0.05 1.24 0.03 0.00 0.21 0.00 0.00 66.02 67.44 1s6n s SER 91 CO 0.15 -0.23 -0.01 -0.31 0.41 0.00 0.00 173.24 173.26 1s6n s TYR 92 N 1.61 0.64 -0.30 2.43 2.02 0.74 0.09 117.35 124.58 1s6n s TYR 92 Ca -0.10 -0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 1s6n s TYR 92 Cb -0.06 -0.73 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 1s6n s TYR 92 CO -0.18 -0.28 0.06 0.42 -1.57 0.00 0.00 175.55 174.00 1s6n s ILE 93 N 1.70 3.73 -0.06 2.71 -1.09 0.28 -1.43 121.20 127.04 1s6n s ILE 93 Ca 0.01 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1s6n s ILE 93 Cb -0.13 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1s6n s ILE 93 CO -0.04 0.04 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.98 1s6n s VAL 94 N 1.44 3.95 -0.29 2.92 1.01 -1.12 -0.47 120.40 127.85 1s6n s VAL 94 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1s6n s VAL 94 Cb -0.18 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.65 1s6n s VAL 94 CO 0.01 0.57 0.09 -0.69 0.00 0.00 0.00 175.10 175.08 1s6n s VAL 95 N -0.87 0.75 0.00 2.92 1.01 0.38 -0.83 120.40 123.76 1s6n s VAL 95 Ca 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1s6n s VAL 95 Cb -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1s6n s VAL 95 CO 0.03 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.15 1s6n n GLY 96 N 4.91 2.29 2.85 4.51 0.00 0.24 -0.04 105.19 119.96 1s6n n GLY 96 Ca -0.04 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.92 0.55 0.00 1.61 1.70 0.33 -4.81 118.95 116.42 1s6n s ARG 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1s6n s ARG 97 Cb 0.00 -0.68 0.00 0.00 -0.57 0.00 0.00 34.95 33.70 1s6n s ARG 97 CO 0.00 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 1s6n n GLY 98 N 4.19 0.49 0.19 3.88 0.00 -1.26 -0.78 105.19 111.89 1s6n n GLY 98 Ca -0.24 0.56 0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.28 1.61 9.09 -2.03 -3.42 114.58 116.55 1s6n h GLU 99 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 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 -0.76 1.14 0.05 0.00 0.00 179.01 179.44 1s6n s GLN 100 N -3.53 0.45 0.11 1.06 -2.07 0.04 -5.14 119.66 110.57 1s6n s GLN 100 Ca 0.01 -0.51 -0.04 0.00 -1.82 0.00 0.00 55.36 53.00 1s6n s GLN 100 Cb 0.09 -1.82 -0.03 0.00 -1.09 0.00 0.00 33.01 30.16 1s6n s GLN 100 CO 0.38 -0.80 0.09 1.14 -1.32 0.00 0.00 175.29 174.78 1s6n s GLN 101 N 1.92 0.86 0.13 9.60 -2.07 -1.26 -0.51 119.66 128.33 1s6n s GLN 101 Ca 0.04 -1.26 -0.06 0.00 -1.82 0.00 0.00 55.36 52.26 1s6n s GLN 101 Cb -0.17 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 1s6n s GLN 101 CO -0.18 -0.25 0.19 0.42 -1.32 0.00 0.00 175.29 174.15 1s6n s ILE 102 N -3.97 0.10 0.18 3.63 1.01 0.95 -4.98 121.20 118.13 1s6n s ILE 102 Ca 0.15 -1.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.10 1s6n s ILE 102 Cb 0.06 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1s6n s ILE 102 CO -0.04 -0.45 0.54 0.54 0.00 0.00 0.00 174.94 175.52 1s6n s ASN 103 N -2.96 -0.32 0.01 3.58 2.20 -1.26 -0.47 114.94 115.71 1s6n s ASN 103 Ca 0.16 -0.36 -0.04 0.00 -0.94 0.00 0.00 52.86 51.68 1s6n s ASN 103 Cb 0.05 0.58 -0.01 0.00 -2.00 0.00 0.00 41.25 39.87 1s6n s ASN 103 CO -0.02 -1.03 0.05 -2.28 -2.94 0.00 0.00 177.10 170.89 1s6n s HIS 104 N -3.84 0.14 0.26 1.54 2.46 0.38 -5.00 115.29 111.23 1s6n s HIS 104 Ca 0.07 -0.30 0.06 0.00 0.47 0.00 0.00 55.06 55.36 1s6n s HIS 104 Cb -0.01 -0.11 -0.03 0.00 -0.13 0.00 0.00 32.58 32.30 1s6n s HIS 104 CO -0.06 -0.23 0.30 -3.38 -2.47 0.00 0.00 174.74 168.91 1s6n s HIS 105 N -1.34 3.24 0.10 3.88 -3.43 -1.26 -0.55 115.29 115.93 1s6n s HIS 105 Ca -0.14 -0.10 -0.15 0.00 -0.80 0.00 0.00 55.06 53.86 1s6n s HIS 105 Cb -0.08 -1.57 0.03 0.00 -1.43 0.00 0.00 32.58 29.53 1s6n s HIS 105 CO 0.00 0.40 0.37 -0.46 -2.00 0.00 0.00 174.74 173.06 1s6n s TRP 106 N -2.09 -0.17 -0.05 0.38 -0.00 0.11 -4.93 118.94 112.20 1s6n s TRP 106 Ca 0.35 -0.10 -0.07 0.00 -0.00 0.00 0.00 56.10 56.29 1s6n s TRP 106 Cb -0.08 0.20 0.01 0.00 -0.00 0.00 0.00 33.47 33.60 1s6n s TRP 106 CO 0.27 -0.64 0.17 -1.01 -0.00 0.00 0.00 176.95 175.74 1s6n s HIS 107 N -3.48 -0.14 -0.26 5.86 3.76 -1.26 -0.79 115.29 118.98 1s6n s HIS 107 Ca 0.01 0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 55.25 1s6n s HIS 107 Cb 0.02 0.04 0.14 0.00 1.11 0.00 0.00 32.58 33.89 1s6n s HIS 107 CO -0.10 -0.14 0.35 -1.59 -0.85 0.00 0.00 174.74 172.42 1s6n s LYS 108 N -0.25 0.34 0.00 1.40 -2.85 0.85 -4.86 119.74 114.38 1s6n s LYS 108 Ca -0.03 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.18 1s6n s LYS 108 Cb -0.03 -0.55 0.00 0.00 -2.06 0.00 0.00 37.83 35.20 1s6n s LYS 108 CO 0.01 -0.84 0.00 -1.13 0.10 0.00 0.00 175.35 173.49 1s6n n SER 109 N 5.35 0.00 0.00 0.03 3.41 -0.86 -1.84 113.62 119.71 1s6n n SER 109 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1s6n n SER 109 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 1.44 0.00 5.00 0.00 0.36 -4.88 105.19 107.11 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 -0.27 1.61 2.88 0.66 -4.43 113.62 114.07 1s6n n SER 111 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1s6n n SER 111 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.55 0.08 -3.46 4.64 -1.84 0.18 113.55 113.69 1s6n h SER 112 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1s6n h SER 112 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1s6n h SER 112 CO 0.00 0.24 -0.18 -0.38 -0.87 0.00 0.00 176.83 175.64 1s6n n ILE 113 N -4.57 0.00 -1.91 0.95 2.08 -1.26 -4.94 119.36 109.71 1s6n n ILE 113 Ca 0.19 -0.24 -0.01 0.00 0.56 0.00 0.00 62.75 63.25 1s6n n ILE 113 Cb 0.60 0.72 -0.00 0.00 -0.75 0.00 0.00 39.64 40.21 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 1.30 0.33 0.00 7.39 0.00 0.62 -5.10 105.19 109.74 1s6n n GLY 114 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1s6n n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49