#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iml s LYS 2 N 0.00 0.57 -0.31 0.54 2.20 -1.26 -1.84 119.74 119.64 1iml s LYS 2 Ca 0.00 -0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 55.03 1iml s LYS 2 Cb 0.00 -0.53 0.01 0.00 -1.51 0.00 0.00 37.83 35.80 1iml s LYS 2 CO 0.00 0.14 0.97 0.00 -0.36 0.00 0.00 175.35 176.11 1iml h PRO 4 N 8.04 0.00 0.00 0.00 0.14 -1.84 -1.63 132.00 136.70 1iml h PRO 4 Ca -0.22 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.92 1iml h PRO 4 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.21 1iml h PRO 4 CO 0.98 0.01 0.00 1.17 0.14 0.00 0.00 178.00 180.30 1iml n LYS 5 N -3.35 0.00 0.00 0.86 0.00 -1.24 -4.58 118.16 109.85 1iml n LYS 5 Ca -0.03 0.44 0.06 0.00 0.00 0.00 0.00 58.31 58.78 1iml n LYS 5 Cb 0.10 -1.03 -0.12 0.00 0.00 0.00 0.00 35.03 33.97 1iml n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iml n ASP 7 N -2.52 -2.97 -1.85 0.00 2.03 -0.61 -5.08 116.55 105.55 1iml n ASP 7 Ca -0.09 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1iml n ASP 7 Cb 0.72 -2.26 0.00 0.00 -0.72 0.00 0.00 41.12 38.85 1iml n ASP 7 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1iml n LYS 8 N -2.16 2.03 -3.97 -0.67 4.01 -1.26 -4.95 118.16 111.18 1iml n LYS 8 Ca -0.06 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.42 1iml n LYS 8 Cb 0.55 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.02 1iml n LYS 8 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1iml s GLU 9 N -1.76 3.25 -0.33 1.97 0.41 -1.26 -1.32 118.70 119.67 1iml s GLU 9 Ca 0.00 -0.48 -0.06 0.00 -0.41 0.00 0.00 54.97 54.02 1iml s GLU 9 Cb 0.00 -2.95 0.03 0.00 -1.78 0.00 0.00 34.13 29.43 1iml s GLU 9 CO 0.00 0.62 0.09 0.08 -0.49 0.00 0.00 175.26 175.56 1iml s VAL 10 N -1.39 3.76 0.68 2.63 1.01 -0.77 -4.91 120.40 121.41 1iml s VAL 10 Ca 0.30 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1iml s VAL 10 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1iml s VAL 10 CO 0.22 -0.11 1.06 -0.47 0.00 0.00 0.00 175.10 175.80 1iml s TYR 11 N 1.41 3.08 0.04 5.22 6.14 -1.26 -4.86 117.35 127.13 1iml s TYR 11 Ca -0.01 1.44 -0.28 0.00 0.64 0.00 0.00 57.07 58.86 1iml s TYR 11 Cb -0.19 -2.90 -0.16 0.00 0.42 0.00 0.00 41.96 39.13 1iml s TYR 11 CO 0.02 -1.22 1.39 0.74 0.64 0.00 0.00 175.55 177.13 1iml h PHE 12 N -0.51 -0.94 0.00 4.97 -1.00 -1.98 -0.86 116.94 116.61 1iml h PHE 12 Ca -0.44 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1iml h PHE 12 Cb 1.21 0.31 0.00 0.00 3.61 0.00 0.00 35.95 41.08 1iml h PHE 12 CO 0.61 -0.58 0.00 0.00 -1.61 0.00 0.00 178.31 176.73 1iml n ALA 13 N -2.52 2.05 -0.58 2.45 0.00 -1.26 0.60 120.51 121.25 1iml n ALA 13 Ca -0.13 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.31 1iml n ALA 13 Cb 0.40 -1.27 0.33 0.00 0.00 0.00 0.00 19.45 18.91 1iml n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iml n GLU 14 N -1.09 3.48 -3.72 0.00 1.02 -0.34 -4.97 120.64 115.03 1iml n GLU 14 Ca 0.11 -2.78 -0.30 0.00 -0.02 0.00 0.00 57.16 54.17 1iml n GLU 14 Cb 0.08 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 29.67 1iml n GLU 14 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1iml s ARG 15 N -1.73 3.56 -0.02 3.49 1.70 0.20 -1.24 118.95 124.91 1iml s ARG 15 Ca 0.48 -0.22 -0.05 0.00 -0.47 0.00 0.00 55.73 55.46 1iml s ARG 15 Cb 0.30 -2.87 0.01 0.00 -0.57 0.00 0.00 34.95 31.81 1iml s ARG 15 CO 0.24 0.47 0.12 0.14 -1.08 0.00 0.00 175.30 175.19 1iml s VAL 16 N -1.70 0.04 -0.07 4.99 -7.23 -0.25 -4.71 120.40 111.47 1iml s VAL 16 Ca 0.39 -0.37 0.03 0.00 -1.81 0.00 0.00 61.98 60.23 1iml s VAL 16 Cb -0.12 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.50 1iml s VAL 16 CO 0.27 -0.20 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.79 1iml s THR 17 N -0.67 2.79 -0.30 5.32 2.01 -1.26 0.61 115.64 124.14 1iml s THR 17 Ca -0.08 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1iml s THR 17 Cb -0.05 -2.09 0.21 0.00 0.01 0.00 0.00 72.50 70.58 1iml s THR 17 CO 0.01 0.57 1.26 -0.55 -0.69 0.00 0.00 174.62 175.21 1iml s SER 18 N -0.31 -0.08 -1.57 3.53 0.15 -0.85 -4.94 113.70 109.63 1iml s SER 18 Ca 0.02 0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 1iml s SER 18 Cb -0.13 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1iml s SER 18 CO 0.03 -0.02 0.59 0.18 1.20 0.00 0.00 173.24 175.21 1iml n LEU 19 N 3.30 -2.67 -1.08 3.45 7.99 -1.26 -2.15 117.00 124.57 1iml n LEU 19 Ca -0.16 -0.28 -0.14 0.00 -0.01 0.00 0.00 56.01 55.42 1iml n LEU 19 Cb 0.56 -2.99 -0.06 0.00 -0.11 0.00 0.00 43.42 40.83 1iml n LEU 19 CO 0.05 0.22 -0.13 0.61 -1.51 0.00 0.00 177.39 176.62 1iml n GLY 20 N -1.51 1.41 3.07 -0.72 0.00 -1.26 -4.96 105.19 101.22 1iml n GLY 20 Ca -0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1iml n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iml s LYS 21 N -3.13 0.52 0.72 1.61 2.20 -0.91 -5.11 119.74 115.63 1iml s LYS 21 Ca 0.00 -0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 54.71 1iml s LYS 21 Cb 0.00 0.19 0.12 0.00 -1.51 0.00 0.00 37.83 36.63 1iml s LYS 21 CO 0.00 -0.11 0.99 -0.51 -0.36 0.00 0.00 175.35 175.37 1iml s ASP 22 N -2.22 4.39 0.29 1.43 1.01 -1.26 -2.01 116.67 118.30 1iml s ASP 22 Ca -0.04 -0.25 -0.03 0.00 0.71 0.00 0.00 52.55 52.95 1iml s ASP 22 Cb -0.00 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.76 1iml s ASP 22 CO -0.06 -1.83 0.43 0.79 0.21 0.00 0.00 175.17 174.71 1iml n TRP 23 N -2.85 -1.36 -3.86 4.23 7.02 0.20 -4.18 117.44 116.65 1iml n TRP 23 Ca 0.14 -1.88 -0.34 0.00 -1.02 0.00 0.00 57.50 54.40 1iml n TRP 23 Cb 0.60 0.48 -0.05 0.00 -2.42 0.00 0.00 31.31 29.93 1iml n TRP 23 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1iml s HIS 24 N -3.32 3.55 0.10 -5.99 3.76 -1.26 -1.09 115.29 111.04 1iml s HIS 24 Ca 0.23 0.42 -0.21 0.00 -0.15 0.00 0.00 55.06 55.34 1iml s HIS 24 Cb -0.01 -1.88 -0.11 0.00 1.11 0.00 0.00 32.58 31.70 1iml s HIS 24 CO 0.16 0.63 1.71 0.00 -0.85 0.00 0.00 174.74 176.39 1iml h ARG 25 N 3.80 0.17 -0.36 1.40 3.08 -1.45 -2.51 114.38 118.51 1iml h ARG 25 Ca -0.49 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.49 1iml h ARG 25 Cb 1.19 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1iml h ARG 25 CO 0.69 0.18 0.01 -1.00 -1.07 0.00 0.00 179.97 178.77 1iml h PRO 26 N 0.12 0.56 -0.35 0.04 0.13 -1.95 -3.28 132.00 127.28 1iml h PRO 26 Ca 0.04 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1iml h PRO 26 Cb 0.05 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1iml h PRO 26 CO -0.01 0.58 0.11 0.00 -0.23 0.00 0.00 178.00 178.45 1iml s LEU 28 N -9.71 3.08 0.03 0.00 2.96 -1.18 -4.84 118.68 109.02 1iml s LEU 28 Ca -0.13 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1iml s LEU 28 Cb 0.09 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1iml s LEU 28 CO 0.75 -3.48 0.00 -0.54 -1.32 0.00 0.00 176.35 171.77 1iml s LYS 29 N 8.62 0.45 -0.01 1.98 1.02 -1.26 -1.89 119.74 128.65 1iml s LYS 29 Ca 0.94 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 1iml s LYS 29 Cb -0.14 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 1iml s LYS 29 CO 0.15 -0.09 1.27 0.00 -0.92 0.00 0.00 175.35 175.76 1iml n GLU 31 N 4.94 2.13 0.03 0.00 1.02 -1.25 -1.05 120.64 126.45 1iml n GLU 31 Ca 0.11 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 1iml n GLU 31 Cb 0.45 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1iml n GLU 31 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1iml n LYS 32 N -0.70 0.00 -0.00 3.49 3.00 -1.26 -4.88 118.16 117.81 1iml n LYS 32 Ca 0.49 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.85 1iml n LYS 32 Cb 1.16 -0.30 -0.08 0.00 0.00 0.00 0.00 35.03 35.82 1iml n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iml n GLY 34 N 1.82 0.50 3.82 0.00 0.00 -0.22 -5.04 105.19 106.08 1iml n GLY 34 Ca -0.01 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1iml n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iml s LYS 35 N -4.88 3.64 0.52 1.61 -0.14 -1.26 -4.86 119.74 114.38 1iml s LYS 35 Ca 0.07 -0.17 -0.21 0.00 -1.36 0.00 0.00 55.97 54.30 1iml s LYS 35 Cb -0.03 -3.24 -0.06 0.00 -1.68 0.00 0.00 37.83 32.82 1iml s LYS 35 CO 0.09 0.63 1.20 0.99 -0.76 0.00 0.00 175.35 177.51 1iml s THR 36 N -0.61 2.81 0.17 2.17 2.01 -1.26 -1.51 115.64 119.42 1iml s THR 36 Ca 0.13 0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.77 1iml s THR 36 Cb -0.12 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1iml s THR 36 CO 0.02 -0.05 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.08 1iml s LEU 37 N -3.52 3.09 0.10 4.42 1.43 -0.79 -4.89 118.68 118.52 1iml s LEU 37 Ca 0.70 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 1iml s LEU 37 Cb -0.30 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1iml s LEU 37 CO 0.35 0.10 0.43 -0.89 0.23 0.00 0.00 176.35 176.57 1iml s THR 38 N -1.69 0.06 -0.43 5.49 2.01 -1.26 -4.90 115.64 114.92 1iml s THR 38 Ca 0.26 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1iml s THR 38 Cb -0.09 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1iml s THR 38 CO 0.16 -0.26 0.00 -1.20 -0.69 0.00 0.00 174.62 172.63 1iml n SER 39 N -0.00 -5.82 -3.39 3.53 7.64 -1.26 0.98 113.62 115.30 1iml n SER 39 Ca -0.17 0.10 -0.17 0.00 1.01 0.00 0.00 58.87 59.64 1iml n SER 39 Cb 0.63 -3.67 0.08 0.00 -1.01 0.00 0.00 64.21 60.23 1iml n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iml n GLY 40 N 0.62 -0.71 0.55 0.23 0.00 -1.26 -4.91 105.19 99.70 1iml n GLY 40 Ca -0.04 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1iml n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iml n GLY 41 N -1.22 0.32 0.86 -0.02 0.00 0.27 -4.91 105.19 100.49 1iml n GLY 41 Ca -0.19 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 1iml n GLY 41 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iml n HIS 42 N 0.32 -1.74 -3.16 1.61 -0.00 -1.26 -1.72 115.22 109.27 1iml n HIS 42 Ca 0.14 -0.51 0.00 0.00 -0.00 0.00 0.00 57.72 57.35 1iml n HIS 42 Cb 0.29 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1iml n HIS 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iml n ALA 43 N -2.77 0.00 -3.51 1.59 0.00 0.20 -4.02 120.51 112.00 1iml n ALA 43 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1iml n ALA 43 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 1iml n ALA 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iml s GLU 44 N 0.08 0.28 -0.06 0.00 2.12 -1.26 -1.23 118.70 118.63 1iml s GLU 44 Ca 0.00 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 1iml s GLU 44 Cb 0.00 0.00 0.03 0.00 0.26 0.00 0.00 34.13 34.42 1iml s GLU 44 CO 0.00 -0.11 -0.02 -1.58 -0.54 0.00 0.00 175.26 173.00 1iml s HIS 45 N 0.86 0.68 0.00 5.30 2.46 -0.85 -4.95 115.29 118.79 1iml s HIS 45 Ca -0.06 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.29 1iml s HIS 45 Cb -0.07 -0.71 0.00 0.00 -0.13 0.00 0.00 32.58 31.67 1iml s HIS 45 CO -0.06 -0.25 0.00 -1.91 -2.47 0.00 0.00 174.74 170.05 1iml n GLU 46 N 4.55 0.00 -1.03 2.88 4.07 -1.26 -1.87 120.64 127.98 1iml n GLU 46 Ca -0.17 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.72 1iml n GLU 46 Cb 0.50 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 32.01 1iml n GLU 46 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iml n GLY 47 N 0.00 4.30 3.05 8.31 0.00 -1.26 -4.76 105.19 114.83 1iml n GLY 47 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1iml n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iml s LYS 48 N -2.74 1.69 1.07 1.61 -2.85 -0.78 -3.72 119.74 114.01 1iml s LYS 48 Ca 0.47 -1.92 -0.12 0.00 -1.00 0.00 0.00 55.97 53.39 1iml s LYS 48 Cb 0.39 -3.34 0.21 0.00 -2.06 0.00 0.00 37.83 33.03 1iml s LYS 48 CO 0.06 -0.99 0.94 -0.35 0.10 0.00 0.00 175.35 175.11 1iml n PRO 49 N 4.26 -1.58 -0.72 1.78 -0.04 -1.26 -2.00 135.00 135.45 1iml n PRO 49 Ca 0.02 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1iml n PRO 49 Cb 0.41 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1iml n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iml n TYR 50 N -4.61 -0.37 -1.70 0.54 4.02 -0.37 -3.83 117.16 110.84 1iml n TYR 50 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.52 1iml n TYR 50 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 1iml n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iml h ASN 52 N 5.16 0.12 -5.01 0.00 -0.73 -1.47 -1.34 115.58 112.31 1iml h ASN 52 Ca -0.45 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 57.71 1iml h ASN 52 Cb 1.24 -0.03 -0.11 0.00 0.27 0.00 0.00 38.32 39.70 1iml h ASN 52 CO 0.83 0.12 0.19 -1.00 -0.37 0.00 0.00 177.43 177.19 1iml s HIS 53 N -5.09 -0.43 -0.35 0.67 3.76 -1.26 -4.03 115.29 108.56 1iml s HIS 53 Ca -0.06 0.16 0.27 0.00 -0.15 0.00 0.00 55.06 55.28 1iml s HIS 53 Cb 0.17 0.56 0.93 0.00 1.11 0.00 0.00 32.58 35.35 1iml s HIS 53 CO 0.69 -0.92 1.79 -1.00 -0.85 0.00 0.00 174.74 174.45 1iml h PRO 54 N 2.03 0.00 -0.74 8.40 0.13 -1.99 -3.46 132.00 136.37 1iml h PRO 54 Ca -0.31 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1iml h PRO 54 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1iml h PRO 54 CO 0.35 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 178.61 1iml h TYR 56 N 0.93 -1.04 0.00 0.00 3.20 -1.44 -2.39 116.97 116.23 1iml h TYR 56 Ca 0.29 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1iml h TYR 56 Cb 0.00 0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1iml h TYR 56 CO -0.00 -0.65 0.00 0.77 -1.64 0.00 0.00 178.16 176.64 1iml h SER 57 N -1.24 0.00 0.04 -2.11 0.02 -1.24 0.57 113.55 109.59 1iml h SER 57 Ca -0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1iml h SER 57 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1iml h SER 57 CO 0.19 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.86 1iml h ALA 58 N 2.17 -0.05 0.16 3.77 0.00 0.09 -3.34 119.26 122.05 1iml h ALA 58 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 1iml h ALA 58 Cb 0.50 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1iml h ALA 58 CO 0.00 -0.16 -1.13 1.98 0.00 0.00 0.00 179.25 179.94 1iml h MET 59 N -0.80 0.33 -4.92 0.00 1.85 -0.93 -3.42 114.93 107.05 1iml h MET 59 Ca -0.01 -0.57 -0.67 0.00 -0.61 0.00 0.00 59.70 57.84 1iml h MET 59 Cb 0.67 0.21 -0.35 0.00 0.43 0.00 0.00 31.60 32.57 1iml h MET 59 CO 0.01 1.27 -0.79 -0.06 -0.40 0.00 0.00 176.91 176.94 1iml s PHE 60 N -2.48 3.10 0.41 1.39 0.08 0.20 -5.09 117.98 115.59 1iml s PHE 60 Ca -0.14 -1.90 -0.27 0.00 0.12 0.00 0.00 56.93 54.74 1iml s PHE 60 Cb 0.03 -1.98 -0.10 0.00 -0.57 0.00 0.00 43.02 40.40 1iml s PHE 60 CO 0.84 -0.81 1.44 0.20 -0.10 0.00 0.00 175.22 176.79 1iml s GLY 61 N 1.22 2.93 -0.56 4.36 0.00 -1.25 -3.61 107.32 110.42 1iml s GLY 61 Ca -0.03 1.50 -0.26 0.00 0.00 0.00 0.00 44.72 45.93 1iml s GLY 61 CO -0.06 2.14 2.28 -4.14 0.00 0.00 0.00 173.10 173.32 1iml s PRO 62 N -2.27 2.16 -0.00 2.90 0.02 -1.26 -4.63 135.00 131.93 1iml s PRO 62 Ca 0.57 1.10 0.03 0.00 0.02 0.00 0.00 61.00 62.72 1iml s PRO 62 Cb -0.45 -4.58 -0.04 0.00 0.02 0.00 0.00 34.50 29.45 1iml s PRO 62 CO 0.59 -3.30 0.08 1.63 -0.33 0.00 0.00 177.00 175.67 1iml n LYS 63 N 9.03 1.47 0.00 5.54 4.76 -1.26 -5.13 118.16 132.57 1iml n LYS 63 Ca 0.34 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1iml n LYS 63 Cb 0.53 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1iml n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iml n GLY 64 N 2.04 -1.97 1.32 0.72 0.00 -1.26 -5.05 105.19 100.99 1iml n GLY 64 Ca -0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1iml n GLY 64 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iml n PHE 65 N -0.03 -0.23 0.00 1.61 -1.74 -1.26 -5.16 117.46 110.66 1iml n PHE 65 Ca 0.00 -1.13 0.00 0.00 -0.56 0.00 0.00 57.45 55.76 1iml n PHE 65 Cb 0.00 0.09 0.00 0.00 1.52 0.00 0.00 39.48 41.09 1iml n PHE 65 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1iml n GLY 66 N 0.07 4.16 2.54 4.97 0.00 -1.26 -5.10 105.19 110.58 1iml n GLY 66 Ca 0.02 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 1iml n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1iml n ARG 67 N -1.78 -1.89 -2.82 1.61 3.00 -1.26 -4.94 116.66 108.58 1iml n ARG 67 Ca 0.00 1.79 -0.43 0.00 -0.00 0.00 0.00 57.85 59.21 1iml n ARG 67 Cb 0.00 -4.74 -0.04 0.00 0.00 0.00 0.00 32.46 27.68 1iml n ARG 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1iml s GLY 68 N -2.20 1.36 0.00 5.14 0.00 -1.26 -5.03 107.32 105.33 1iml s GLY 68 Ca 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1iml s GLY 68 CO 0.60 2.10 0.00 0.61 0.00 0.00 0.00 173.10 176.41 1iml n GLY 69 N 5.17 -0.36 2.57 0.20 0.00 -1.26 -4.92 105.19 106.60 1iml n GLY 69 Ca 0.01 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1iml n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iml n ALA 70 N -3.00 -3.55 0.17 4.61 0.00 -1.26 -4.81 120.51 112.68 1iml n ALA 70 Ca 0.00 1.17 0.09 0.00 0.00 0.00 0.00 53.44 54.69 1iml n ALA 70 Cb 0.00 -2.29 0.44 0.00 0.00 0.00 0.00 19.45 17.59 1iml n ALA 70 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iml n GLU 71 N 1.01 0.11 -3.12 0.00 2.13 -1.26 -4.83 120.64 114.68 1iml n GLU 71 Ca -0.15 0.56 -0.17 0.00 0.66 0.00 0.00 57.16 58.06 1iml n GLU 71 Cb 0.24 -1.83 0.05 0.00 0.27 0.00 0.00 31.44 30.17 1iml n GLU 71 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1iml n SER 72 N -2.06 -5.11 -4.55 4.31 7.64 -1.26 -4.90 113.62 107.69 1iml n SER 72 Ca -0.00 -0.33 -0.33 0.00 1.01 0.00 0.00 58.87 59.22 1iml n SER 72 Cb 0.06 -3.80 -0.04 0.00 -1.01 0.00 0.00 64.21 59.42 1iml n SER 72 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iml s HIS 73 N -3.15 1.15 -0.27 1.43 3.76 -1.26 -4.72 115.29 112.23 1iml s HIS 73 Ca 0.35 1.53 0.12 0.00 -0.15 0.00 0.00 55.06 56.91 1iml s HIS 73 Cb -0.16 -3.62 0.61 0.00 1.11 0.00 0.00 32.58 30.52 1iml s HIS 73 CO 0.44 -2.37 1.59 2.41 -0.85 0.00 0.00 174.74 175.96 1iml n THR 74 N 8.01 2.63 -3.63 1.30 -1.04 -1.26 -4.95 114.28 115.34 1iml n THR 74 Ca 0.36 -2.04 -0.32 0.00 -2.04 0.00 0.00 64.05 60.01 1iml n THR 74 Cb 0.53 -0.32 -0.05 0.00 -1.82 0.00 0.00 70.33 68.67 1iml n THR 74 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1iml s PHE 75 N -3.03 3.48 -2.00 -1.42 0.08 -1.26 -5.34 117.98 108.49 1iml s PHE 75 Ca 0.48 0.62 0.02 0.00 0.12 0.00 0.00 56.93 58.17 1iml s PHE 75 Cb 0.40 -2.05 0.10 0.00 -0.57 0.00 0.00 43.02 40.90 1iml s PHE 75 CO 0.08 0.42 0.59 0.36 -0.10 0.00 0.00 175.22 176.58