#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyz s PHE 38 N 0.00 2.79 0.36 -0.72 0.08 -1.26 -4.43 117.98 114.80 3kyz s PHE 38 Ca 0.00 -0.10 -0.28 0.00 0.12 0.00 0.00 56.93 56.67 3kyz s PHE 38 Cb 0.00 -1.58 -0.11 0.00 -0.57 0.00 0.00 43.02 40.77 3kyz s PHE 38 CO 0.00 0.33 1.47 -0.51 -0.10 0.00 0.00 175.22 176.41 3kyz s LEU 39 N -1.37 4.33 0.56 -0.37 1.43 -1.26 -4.75 118.68 117.25 3kyz s LEU 39 Ca 0.16 2.99 -0.21 0.00 -1.03 0.00 0.00 54.13 56.04 3kyz s LEU 39 Cb -0.11 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 3kyz s LEU 39 CO 0.06 -0.84 1.35 0.00 0.23 0.00 0.00 176.35 177.16 3kyz s ALA 40 N -1.00 2.77 0.26 4.21 0.00 -1.26 -4.79 121.76 121.95 3kyz s ALA 40 Ca 0.53 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 3kyz s ALA 40 Cb -0.46 -3.57 0.54 0.00 0.00 0.00 0.00 23.12 19.63 3kyz s ALA 40 CO 0.60 -1.40 1.77 -1.35 0.00 0.00 0.00 175.76 175.38 3kyz h PRO 41 N 1.34 0.64 0.00 0.00 0.11 -1.99 -0.48 132.00 131.62 3kyz h PRO 41 Ca -0.51 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3kyz h PRO 41 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kyz h PRO 41 CO 0.57 0.43 -0.27 0.00 -0.21 0.00 0.00 178.00 178.51 3kyz h ALA 42 N 1.55 1.49 0.00 -0.75 0.00 -1.99 -1.18 119.26 118.38 3kyz h ALA 42 Ca 0.47 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3kyz h ALA 42 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kyz h ALA 42 CO -0.35 0.34 -0.92 -0.44 0.00 0.00 0.00 179.25 177.88 3kyz h ASP 43 N 0.00 0.43 -0.41 0.00 3.32 -1.48 -1.37 116.42 116.90 3kyz h ASP 43 Ca -0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 3kyz h ASP 43 Cb 0.50 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3kyz h ASP 43 CO 0.04 1.14 0.23 0.03 -1.72 0.00 0.00 179.24 178.95 3kyz h ARG 44 N 0.18 0.57 -0.73 3.56 3.08 -0.75 -1.62 114.38 118.67 3kyz h ARG 44 Ca -0.07 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3kyz h ARG 44 Cb 1.55 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.45 3kyz h ARG 44 CO 0.15 0.46 0.34 0.45 -1.07 0.00 0.00 179.97 180.30 3kyz h HIS 45 N 0.53 1.07 -0.06 3.04 3.86 -1.17 0.00 115.15 122.42 3kyz h HIS 45 Ca 0.15 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3kyz h HIS 45 Cb 0.05 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 3kyz h HIS 45 CO -0.02 0.79 0.02 -0.92 0.86 0.00 0.00 177.93 178.67 3kyz h TYR 46 N 1.03 0.05 -0.29 2.45 3.20 -1.04 -0.73 116.97 121.62 3kyz h TYR 46 Ca 0.25 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 3kyz h TYR 46 Cb 0.14 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3kyz h TYR 46 CO 0.01 0.03 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.12 3kyz h LEU 47 N 0.06 0.70 -1.39 2.82 3.38 -1.14 -2.49 115.31 117.25 3kyz h LEU 47 Ca 0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3kyz h LEU 47 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kyz h LEU 47 CO -0.02 0.99 0.31 0.00 0.09 0.00 0.00 178.44 179.82 3kyz h ALA 48 N 1.04 1.54 -0.42 1.53 0.00 -0.77 -1.61 119.26 120.57 3kyz h ALA 48 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kyz h ALA 48 Cb 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kyz h ALA 48 CO 0.08 0.39 0.06 0.22 0.00 0.00 0.00 179.25 180.00 3kyz h ASP 49 N 0.74 0.60 -0.68 0.00 3.58 -0.68 -1.56 116.42 118.41 3kyz h ASP 49 Ca 0.19 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 3kyz h ASP 49 Cb -0.01 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3kyz h ASP 49 CO -0.04 0.63 0.41 1.88 -2.88 0.00 0.00 179.24 179.25 3kyz h TYR 50 N 0.62 0.92 -0.47 0.28 0.05 -1.09 -0.75 116.97 116.53 3kyz h TYR 50 Ca 0.14 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.82 3kyz h TYR 50 Cb 0.30 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3kyz h TYR 50 CO 0.01 0.62 -0.07 0.00 -1.05 0.00 0.00 178.16 177.67 3kyz h ALA 51 N 1.49 0.98 -0.40 3.88 0.00 -1.03 0.22 119.26 124.40 3kyz h ALA 51 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kyz h ALA 51 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kyz h ALA 51 CO -0.05 0.61 0.20 -0.09 0.00 0.00 0.00 179.25 179.93 3kyz h ARG 52 N 0.76 0.58 -0.78 0.00 2.43 -0.88 -0.53 114.38 115.95 3kyz h ARG 52 Ca 0.13 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3kyz h ARG 52 Cb 0.57 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3kyz h ARG 52 CO 0.03 0.50 0.28 1.96 -1.51 0.00 0.00 179.97 181.23 3kyz h GLN 53 N 0.52 1.19 -0.24 0.20 4.20 -0.80 -1.06 115.11 119.11 3kyz h GLN 53 Ca 0.14 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kyz h GLN 53 Cb 0.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kyz h GLN 53 CO -0.02 0.98 0.15 0.00 -0.67 0.00 0.00 178.83 179.27 3kyz h ALA 54 N 1.15 0.31 -0.61 3.87 0.00 -0.31 -1.06 119.26 122.60 3kyz h ALA 54 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kyz h ALA 54 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kyz h ALA 54 CO -0.02 -0.20 0.38 1.49 0.00 0.00 0.00 179.25 180.91 3kyz h GLU 55 N 0.31 0.81 -0.86 0.00 4.81 -0.87 -1.49 114.58 117.29 3kyz h GLU 55 Ca 0.09 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3kyz h GLU 55 Cb -0.00 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 3kyz h GLU 55 CO -0.02 0.57 0.57 -0.44 -0.73 0.00 0.00 179.01 178.96 3kyz h ASP 56 N 0.82 0.99 -0.35 1.04 3.32 -0.87 0.14 116.42 121.51 3kyz h ASP 56 Ca 0.22 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3kyz h ASP 56 Cb -0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3kyz h ASP 56 CO -0.04 0.71 0.10 0.00 -1.72 0.00 0.00 179.24 178.29 3kyz h ALA 57 N 1.32 0.46 -0.19 3.45 0.00 -0.83 -0.41 119.26 123.05 3kyz h ALA 57 Ca 0.32 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kyz h ALA 57 Cb -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kyz h ALA 57 CO -0.07 0.11 0.08 2.35 0.00 0.00 0.00 179.25 181.71 3kyz h TRP 58 N 0.41 0.14 -0.69 0.00 2.91 -0.91 -1.09 115.95 116.71 3kyz h TRP 58 Ca 0.11 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.08 3kyz h TRP 58 Cb 0.27 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.86 3kyz h TRP 58 CO 0.01 0.08 0.21 0.00 -1.03 0.00 0.00 178.44 177.70 3kyz h ARG 59 N 0.17 1.09 0.03 2.65 3.08 -0.56 0.32 114.38 121.17 3kyz h ARG 59 Ca 0.08 -0.24 -0.26 0.00 0.07 0.00 0.00 59.98 59.63 3kyz h ARG 59 Cb 0.04 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.95 3kyz h ARG 59 CO -0.07 0.94 -1.06 0.00 -1.07 0.00 0.00 179.97 178.72 3kyz h ARG 60 N 1.02 0.54 0.00 0.04 3.08 -0.98 -3.40 114.38 114.69 3kyz h ARG 60 Ca 0.22 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3kyz h ARG 60 Cb 0.32 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3kyz h ARG 60 CO -0.00 1.24 0.00 0.39 -1.07 0.00 0.00 179.97 180.52 3kyz n GLU 61 N -3.77 0.18 0.00 0.04 1.02 -0.42 -5.06 120.64 112.63 3kyz n GLU 61 Ca -0.10 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 3kyz n GLU 61 Cb 0.89 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 3kyz n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kyz n GLY 62 N -0.08 1.48 0.26 0.62 0.00 0.11 -3.25 105.19 104.33 3kyz n GLY 62 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.45 3kyz n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyz h ALA 63 N -0.81 0.96 -0.76 4.61 0.00 -1.85 -0.14 119.26 121.27 3kyz h ALA 63 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kyz h ALA 63 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3kyz h ALA 63 CO 0.00 -0.19 0.38 0.00 0.00 0.00 0.00 179.25 179.44 3kyz h ALA 64 N 1.50 1.24 -0.34 0.00 0.00 -1.86 0.30 119.26 120.10 3kyz h ALA 64 Ca 0.37 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3kyz h ALA 64 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kyz h ALA 64 CO -0.36 0.59 -0.32 0.78 0.00 0.00 0.00 179.25 179.94 3kyz h GLY 65 N 1.11 0.89 1.10 0.00 0.00 -1.19 -1.99 103.07 102.99 3kyz h GLY 65 Ca 0.26 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3kyz h GLY 65 CO -0.04 0.81 0.34 0.00 0.00 0.00 0.00 176.54 177.66 3kyz h ALA 66 N 0.74 1.12 -0.10 3.60 0.00 -0.74 -0.85 119.26 123.03 3kyz h ALA 66 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kyz h ALA 66 Cb 0.90 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kyz h ALA 66 CO 0.08 0.64 0.02 1.49 0.00 0.00 0.00 179.25 181.48 3kyz h GLU 67 N 1.13 0.16 -0.53 0.00 4.57 -0.85 -0.79 114.58 118.28 3kyz h GLU 67 Ca 0.27 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3kyz h GLU 67 Cb 0.17 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3kyz h GLU 67 CO -0.03 0.35 0.29 -0.09 -1.18 0.00 0.00 179.01 178.35 3kyz h ARG 68 N -0.05 0.73 -0.38 1.92 2.43 -1.25 -2.22 114.38 115.55 3kyz h ARG 68 Ca 0.03 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3kyz h ARG 68 Cb 0.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3kyz h ARG 68 CO 0.00 0.57 0.19 0.35 -1.51 0.00 0.00 179.97 179.56 3kyz h PHE 69 N 0.70 0.55 -0.45 2.20 3.57 -1.03 -0.94 116.94 121.54 3kyz h PHE 69 Ca 0.19 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3kyz h PHE 69 Cb 0.05 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3kyz h PHE 69 CO -0.02 0.46 0.14 -0.09 -2.23 0.00 0.00 178.31 176.58 3kyz h ARG 70 N 0.48 0.30 -0.38 1.11 2.43 -0.97 -0.10 114.38 117.24 3kyz h ARG 70 Ca 0.13 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3kyz h ARG 70 Cb 0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3kyz h ARG 70 CO -0.02 0.20 0.14 0.87 -1.51 0.00 0.00 179.97 179.65 3kyz h LYS 71 N 0.31 0.58 -0.38 0.20 1.57 -1.14 -1.17 116.57 116.54 3kyz h LYS 71 Ca 0.22 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3kyz h LYS 71 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3kyz h LYS 71 CO -0.23 0.57 0.11 0.93 -0.57 0.00 0.00 179.45 180.26 3kyz h GLU 72 N 0.47 0.59 -0.38 3.15 5.08 -0.81 -1.74 114.58 120.94 3kyz h GLU 72 Ca 0.13 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3kyz h GLU 72 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kyz h GLU 72 CO -0.01 0.61 -0.31 1.25 -1.00 0.00 0.00 179.01 179.56 3kyz h LEU 73 N 0.47 0.94 -0.68 1.33 5.85 -0.97 -0.67 115.31 121.56 3kyz h LEU 73 Ca 0.12 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3kyz h LEU 73 Cb 0.27 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3kyz h LEU 73 CO -0.00 1.18 0.42 -1.28 -0.34 0.00 0.00 178.44 178.42 3kyz h SER 74 N 0.70 0.67 -0.31 1.25 0.87 -1.14 -0.92 113.55 114.66 3kyz h SER 74 Ca 0.07 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 3kyz h SER 74 Cb 0.89 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3kyz h SER 74 CO 0.08 0.45 -0.19 0.00 -0.53 0.00 0.00 176.83 176.65 3kyz h ALA 75 N 1.31 0.44 -0.32 6.23 0.00 -1.15 0.30 119.26 126.08 3kyz h ALA 75 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kyz h ALA 75 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kyz h ALA 75 CO -0.13 0.38 0.18 -0.22 0.00 0.00 0.00 179.25 179.46 3kyz h LYS 76 N 0.44 0.44 -0.13 0.00 3.64 -0.81 -3.09 116.57 117.06 3kyz h LYS 76 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kyz h LYS 76 Cb 0.73 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3kyz h LYS 76 CO 0.05 0.36 0.00 0.39 -2.27 0.00 0.00 179.45 177.98 3kyz n GLU 77 N -4.81 2.21 -3.83 1.90 -0.58 -0.38 -4.97 120.64 110.19 3kyz n GLU 77 Ca -0.01 -1.78 -0.26 0.00 -0.42 0.00 0.00 57.16 54.68 3kyz n GLU 77 Cb 0.07 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 3kyz n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kyz n ASP 78 N 1.10 -1.80 -3.55 1.62 2.03 0.05 -4.85 116.55 111.16 3kyz n ASP 78 Ca 0.16 -0.98 -0.11 0.00 0.52 0.00 0.00 54.79 54.39 3kyz n ASP 78 Cb 0.54 -3.32 -0.03 0.00 -0.72 0.00 0.00 41.12 37.58 3kyz n ASP 78 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3kyz s THR 79 N -3.78 0.04 0.26 5.18 -1.32 -0.96 -4.98 115.64 110.08 3kyz s THR 79 Ca 0.13 -0.35 -0.29 0.00 -1.21 0.00 0.00 61.69 59.96 3kyz s THR 79 Cb -0.05 -1.12 -0.09 0.00 -1.51 0.00 0.00 72.50 69.73 3kyz s THR 79 CO 0.87 -0.18 1.27 0.86 -2.21 0.00 0.00 174.62 175.23 3kyz s TRP 80 N -3.79 3.24 0.01 9.09 -0.00 -1.26 -4.38 118.94 121.85 3kyz s TRP 80 Ca 0.02 1.38 0.01 0.00 -0.00 0.00 0.00 56.10 57.51 3kyz s TRP 80 Cb 0.01 -3.57 -0.01 0.00 -0.00 0.00 0.00 33.47 29.89 3kyz s TRP 80 CO -0.12 -1.63 -0.04 0.08 -0.00 0.00 0.00 176.95 175.24 3kyz s VAL 81 N -0.56 0.30 -0.01 5.86 1.01 -1.26 -1.15 120.40 124.59 3kyz s VAL 81 Ca 0.52 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 3kyz s VAL 81 Cb -0.37 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3kyz s VAL 81 CO 0.44 -0.16 0.12 0.00 0.00 0.00 0.00 175.10 175.50 3kyz s ALA 82 N -0.69 -0.29 -0.22 5.51 0.00 -0.00 -4.99 121.76 121.08 3kyz s ALA 82 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 3kyz s ALA 82 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3kyz s ALA 82 CO -0.00 -0.18 -0.01 -0.51 0.00 0.00 0.00 175.76 175.06 3kyz s LEU 83 N -1.15 3.10 0.10 0.00 1.02 -1.26 -0.46 118.68 120.02 3kyz s LEU 83 Ca -0.12 -0.30 0.07 0.00 0.02 0.00 0.00 54.13 53.80 3kyz s LEU 83 Cb -0.07 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 3kyz s LEU 83 CO 0.01 0.00 -0.19 0.68 0.02 0.00 0.00 176.35 176.87 3kyz s VAL 84 N 1.35 1.57 0.00 -1.59 -7.23 -0.68 -0.74 120.40 113.08 3kyz s VAL 84 Ca 0.04 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3kyz s VAL 84 Cb -0.15 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.34 3kyz s VAL 84 CO -0.00 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 3kyz n GLY 85 N 1.08 0.82 0.28 2.32 0.00 0.14 -1.07 105.19 108.76 3kyz n GLY 85 Ca -0.20 -1.94 0.15 0.00 0.00 0.00 0.00 46.02 44.03 3kyz n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kyz h PRO 86 N 0.00 0.00 -0.68 1.61 0.11 -1.77 -1.13 132.00 130.14 3kyz h PRO 86 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kyz h PRO 86 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kyz h PRO 86 CO 0.00 0.07 0.00 0.72 -0.21 0.00 0.00 178.00 178.58 3kyz n HIS 87 N -3.53 1.32 -1.69 0.65 8.25 -1.26 -4.94 115.22 114.02 3kyz n HIS 87 Ca -0.02 -0.58 -0.14 0.00 -0.26 0.00 0.00 57.72 56.72 3kyz n HIS 87 Cb 0.20 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 3kyz n HIS 87 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kyz n LEU 88 N 1.29 -1.24 -4.93 2.41 4.77 -0.43 -5.02 117.00 113.84 3kyz n LEU 88 Ca 0.25 0.23 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 3kyz n LEU 88 Cb 0.81 -2.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.74 3kyz n LEU 88 CO 0.22 -0.55 0.11 -1.61 -1.33 0.00 0.00 177.39 174.23 3kyz s GLU 89 N -3.70 3.51 0.31 3.23 2.02 -1.26 -4.80 118.70 118.02 3kyz s GLU 89 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.37 3kyz s GLU 89 Cb 0.00 -2.73 -0.12 0.00 0.10 0.00 0.00 34.13 31.38 3kyz s GLU 89 CO 0.00 0.26 1.52 0.45 0.02 0.00 0.00 175.26 177.50 3kyz n SER 90 N -1.30 3.60 0.10 -0.19 2.88 -1.26 -0.69 113.62 116.76 3kyz n SER 90 Ca -0.05 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.79 3kyz n SER 90 Cb 0.55 -1.57 0.33 0.00 -0.75 0.00 0.00 64.21 62.78 3kyz n SER 90 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3kyz h LEU 91 N 4.02 0.00 0.00 2.46 3.38 -1.25 -3.44 115.31 120.48 3kyz h LEU 91 Ca -0.48 -0.06 -0.37 0.00 0.09 0.00 0.00 57.88 57.06 3kyz h LEU 91 Cb 1.24 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.14 3kyz h LEU 91 CO 0.73 0.03 0.34 0.61 0.09 0.00 0.00 178.44 180.24 3kyz n GLY 92 N 1.31 -1.27 0.22 0.83 0.00 -1.26 -4.01 105.19 101.01 3kyz n GLY 92 Ca 0.05 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.46 3kyz n GLY 92 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kyz h SER 93 N -1.42 0.00 -3.72 1.61 4.64 -1.91 -3.43 113.55 109.31 3kyz h SER 93 Ca -0.36 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.33 3kyz h SER 93 Cb 1.02 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 3kyz h SER 93 CO 0.27 0.03 -0.37 -0.89 -0.87 0.00 0.00 176.83 175.00 3kyz s THR 94 N -3.26 5.25 0.74 2.95 2.01 -1.26 -5.07 115.64 117.00 3kyz s THR 94 Ca 0.06 0.39 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 3kyz s THR 94 Cb 0.06 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.99 3kyz s THR 94 CO 0.66 0.23 1.09 -2.16 -0.69 0.00 0.00 174.62 173.75 3kyz s PRO 95 N 1.69 2.45 0.26 4.92 0.04 -1.26 -4.81 135.00 138.29 3kyz s PRO 95 Ca 0.12 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 3kyz s PRO 95 Cb -0.15 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3kyz s PRO 95 CO 0.09 -1.50 1.10 -0.51 0.04 0.00 0.00 177.00 176.21 3kyz s LEU 96 N -5.60 4.54 0.84 -3.56 1.43 -1.26 -5.00 118.68 110.08 3kyz s LEU 96 Ca 0.63 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 3kyz s LEU 96 Cb -0.18 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.52 3kyz s LEU 96 CO 0.52 -0.15 1.09 -0.94 0.23 0.00 0.00 176.35 177.10 3kyz s SER 97 N -0.75 4.01 0.29 2.29 1.04 -1.26 -4.84 113.70 114.49 3kyz s SER 97 Ca 0.45 1.41 -0.01 0.00 0.48 0.00 0.00 55.95 58.28 3kyz s SER 97 Cb -0.31 -2.12 0.45 0.00 0.10 0.00 0.00 66.02 64.14 3kyz s SER 97 CO 0.40 -2.29 1.93 0.00 0.98 0.00 0.00 173.24 174.27 3kyz h ALA 98 N -1.31 1.44 -0.76 5.32 0.00 -1.99 -0.39 119.26 121.57 3kyz h ALA 98 Ca -0.48 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.41 3kyz h ALA 98 Cb 1.27 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3kyz h ALA 98 CO 0.57 0.47 0.49 1.49 0.00 0.00 0.00 179.25 182.27 3kyz h GLU 99 N 1.12 0.93 -0.48 0.00 4.57 -2.00 -1.63 114.58 117.08 3kyz h GLU 99 Ca 0.36 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.37 3kyz h GLU 99 Cb 0.02 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3kyz h GLU 99 CO -0.11 0.62 -0.12 0.93 -1.18 0.00 0.00 179.01 179.15 3kyz h GLU 100 N 0.96 0.93 -0.60 1.92 5.08 -1.71 -2.71 114.58 118.45 3kyz h GLU 100 Ca 0.30 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3kyz h GLU 100 Cb -0.01 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3kyz h GLU 100 CO -0.10 1.01 0.40 0.77 -1.00 0.00 0.00 179.01 180.09 3kyz h SER 101 N 0.78 0.46 0.43 1.42 0.02 -0.68 -0.94 113.55 115.05 3kyz h SER 101 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kyz h SER 101 Cb 0.67 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3kyz h SER 101 CO 0.05 0.29 0.00 0.77 -1.14 0.00 0.00 176.83 176.80 3kyz h SER 102 N 0.52 0.00 0.97 3.07 4.64 -0.97 -1.41 113.55 120.37 3kyz h SER 102 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3kyz h SER 102 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kyz h SER 102 CO -0.08 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.29 3kyz n HIS 103 N -2.96 0.48 1.38 4.77 -0.00 -0.36 -3.75 115.22 114.79 3kyz n HIS 103 Ca -0.01 0.16 0.13 0.00 -0.00 0.00 0.00 57.72 58.00 3kyz n HIS 103 Cb 0.17 -0.76 0.45 0.00 -0.00 0.00 0.00 29.99 29.85 3kyz n HIS 103 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3kyz n LEU 104 N -1.91 1.75 -0.01 2.41 4.77 -0.53 -4.41 117.00 119.07 3kyz n LEU 104 Ca 0.05 -0.60 0.10 0.00 -0.03 0.00 0.00 56.01 55.52 3kyz n LEU 104 Cb 0.30 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.23 3kyz n LEU 104 CO 0.23 0.30 -0.58 0.35 -1.33 0.00 0.00 177.39 176.37 3kyz n THR 105 N 0.37 0.00 -3.65 -5.08 -2.24 -1.25 -5.10 114.28 97.33 3kyz n THR 105 Ca 0.18 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 3kyz n THR 105 Cb 0.39 0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 68.76 3kyz n THR 105 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kyz s PHE 106 N -3.26 1.79 -0.11 4.78 0.08 -1.26 -5.22 117.98 114.77 3kyz s PHE 106 Ca -0.04 -2.34 -0.19 0.00 0.12 0.00 0.00 56.93 54.48 3kyz s PHE 106 Cb 0.13 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 3kyz s PHE 106 CO 0.83 -0.78 0.48 1.03 -0.10 0.00 0.00 175.22 176.68 3kyz s ARG 108 N 0.33 0.69 0.55 0.44 1.81 -0.21 -4.72 118.95 117.83 3kyz s ARG 108 Ca 0.20 0.37 -0.06 0.00 -1.72 0.00 0.00 55.73 54.52 3kyz s ARG 108 Cb -0.20 0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 34.61 3kyz s ARG 108 CO -0.03 -0.15 0.87 0.15 -0.68 0.00 0.00 175.30 175.46 3kyz s LYS 109 N -0.44 3.28 0.52 3.54 1.02 -1.26 -1.04 119.74 125.36 3kyz s LYS 109 Ca -0.06 0.18 0.20 0.00 0.02 0.00 0.00 55.97 56.32 3kyz s LYS 109 Cb -0.03 -2.29 1.32 0.00 -0.52 0.00 0.00 37.83 36.30 3kyz s LYS 109 CO 0.03 -0.47 2.07 -0.07 -0.92 0.00 0.00 175.35 176.00 3kyz h LEU 110 N -0.02 0.02 -3.00 3.17 3.38 -1.98 -1.67 115.31 115.21 3kyz h LEU 110 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3kyz h LEU 110 Cb 1.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kyz h LEU 110 CO 0.61 0.01 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 3kyz n ASP 111 N -4.46 4.42 -4.92 -0.43 5.75 -1.26 -4.57 116.55 111.08 3kyz n ASP 111 Ca 0.03 -2.29 -0.26 0.00 -0.01 0.00 0.00 54.79 52.26 3kyz n ASP 111 Cb 0.34 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3kyz n ASP 111 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3kyz s TRP 112 N -1.54 3.50 0.00 2.11 0.52 -0.63 -5.00 118.94 117.90 3kyz s TRP 112 Ca 0.49 0.54 0.00 0.00 0.02 0.00 0.00 56.10 57.15 3kyz s TRP 112 Cb 0.30 -2.04 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 3kyz s TRP 112 CO 0.27 0.09 0.00 -2.30 0.02 0.00 0.00 176.95 175.03 3kyz n PRO 113 N -1.47 -1.33 0.00 4.98 -0.02 -1.26 -4.64 135.00 131.26 3kyz n PRO 113 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3kyz n PRO 113 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3kyz n PRO 113 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kyz n SER 115 N -2.48 0.00 0.16 2.55 3.41 -1.26 -4.99 113.62 111.00 3kyz n SER 115 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3kyz n SER 115 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3kyz n SER 115 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3kyz h ARG 116 N 0.00 0.00 0.00 4.33 3.08 -1.98 -3.41 114.38 116.40 3kyz h ARG 116 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kyz h ARG 116 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kyz h ARG 116 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3kyz n ARG 117 N -2.85 0.00 -0.27 0.04 5.12 -1.26 0.41 116.66 117.85 3kyz n ARG 117 Ca 0.02 0.54 0.17 0.00 -1.93 0.00 0.00 57.85 56.65 3kyz n ARG 117 Cb 0.54 -0.93 0.47 0.00 -1.16 0.00 0.00 32.46 31.37 3kyz n ARG 117 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kyz h LEU 118 N 0.00 0.50 -1.56 0.55 5.85 -1.95 -2.97 115.31 115.73 3kyz h LEU 118 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kyz h LEU 118 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3kyz h LEU 118 CO 0.00 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 3kyz n GLN 119 N -4.56 0.69 -3.75 1.25 6.02 -1.15 -5.03 117.38 110.85 3kyz n GLN 119 Ca 0.20 -0.78 -0.25 0.00 -0.01 0.00 0.00 57.00 56.16 3kyz n GLN 119 Cb 0.66 -0.86 0.04 0.00 1.02 0.00 0.00 30.24 31.10 3kyz n GLN 119 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kyz n ASP 120 N -0.18 -3.21 -3.48 1.08 2.03 0.17 -4.97 116.55 107.99 3kyz n ASP 120 Ca 0.00 -0.76 -0.10 0.00 0.52 0.00 0.00 54.79 54.45 3kyz n ASP 120 Cb 0.20 -4.18 -0.02 0.00 -0.72 0.00 0.00 41.12 36.40 3kyz n ASP 120 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3kyz s GLU 121 N -6.22 1.19 0.37 -0.67 -1.05 -1.22 -5.07 118.70 106.03 3kyz s GLU 121 Ca 0.32 -0.46 -0.28 0.00 -0.15 0.00 0.00 54.97 54.40 3kyz s GLU 121 Cb -0.16 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 33.96 3kyz s GLU 121 CO 0.80 -0.52 1.35 -0.51 0.95 0.00 0.00 175.26 177.33 3kyz s LEU 122 N -2.69 4.33 0.56 1.83 1.43 -1.26 -4.41 118.68 118.46 3kyz s LEU 122 Ca 0.03 2.78 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 3kyz s LEU 122 Cb -0.01 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3kyz s LEU 122 CO -0.10 -0.73 1.25 -2.84 0.23 0.00 0.00 176.35 174.16 3kyz s PRO 123 N -2.02 3.13 -0.22 1.29 0.02 -1.26 -4.67 135.00 131.26 3kyz s PRO 123 Ca 0.52 1.94 -0.19 0.00 0.02 0.00 0.00 61.00 63.29 3kyz s PRO 123 Cb -0.41 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 3kyz s PRO 123 CO 0.54 -1.11 0.57 0.71 -0.33 0.00 0.00 177.00 177.39 3kyz s TYR 124 N -1.49 3.33 -0.21 6.54 2.02 -1.26 -0.65 117.35 125.62 3kyz s TYR 124 Ca 0.74 0.80 -0.10 0.00 -0.37 0.00 0.00 57.07 58.14 3kyz s TYR 124 Cb -0.33 -2.76 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 3kyz s TYR 124 CO 0.38 -0.21 0.14 0.08 -1.57 0.00 0.00 175.55 174.36 3kyz s VAL 125 N 2.05 5.36 -0.24 0.71 1.01 0.10 -1.05 120.40 128.34 3kyz s VAL 125 Ca 0.25 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 3kyz s VAL 125 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3kyz s VAL 125 CO 0.09 0.41 0.13 -0.55 0.00 0.00 0.00 175.10 175.18 3kyz s SER 126 N 0.61 5.78 -0.21 3.32 0.15 -0.21 -1.48 113.70 121.67 3kyz s SER 126 Ca 0.08 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 3kyz s SER 126 Cb -0.12 -2.04 0.06 0.00 -1.71 0.00 0.00 66.02 62.21 3kyz s SER 126 CO 0.00 0.04 0.02 -0.63 1.20 0.00 0.00 173.24 173.88 3kyz s ILE 127 N 1.17 0.73 0.54 6.45 1.01 0.23 -4.38 121.20 126.94 3kyz s ILE 127 Ca 0.06 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3kyz s ILE 127 Cb -0.14 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 3kyz s ILE 127 CO 0.05 -0.20 1.33 -1.84 0.00 0.00 0.00 174.94 174.28 3kyz n GLU 128 N 4.97 1.68 -1.68 2.79 0.28 -1.26 -0.59 120.64 126.83 3kyz n GLU 128 Ca -0.09 0.62 -0.45 0.00 -0.16 0.00 0.00 57.16 57.07 3kyz n GLU 128 Cb 0.46 -2.54 -0.04 0.00 1.43 0.00 0.00 31.44 30.76 3kyz n GLU 128 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3kyz n PHE 129 N -0.99 2.44 0.02 -1.84 3.72 -0.62 -4.76 117.46 115.43 3kyz n PHE 129 Ca 0.10 0.13 -0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3kyz n PHE 129 Cb 0.44 -2.61 0.02 0.00 -0.94 0.00 0.00 39.48 36.39 3kyz n PHE 129 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kyz h PRO 130 N 6.81 0.53 -0.04 -1.08 0.13 -1.91 -2.53 132.00 133.90 3kyz h PRO 130 Ca -0.45 -0.39 -0.06 0.00 -0.87 0.00 0.00 66.00 64.23 3kyz h PRO 130 Cb 1.24 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3kyz h PRO 130 CO 0.92 1.01 -0.21 0.78 -0.23 0.00 0.00 178.00 180.27 3kyz h GLY 131 N 1.08 0.24 -6.54 1.56 0.00 -1.96 -3.41 103.07 94.05 3kyz h GLY 131 Ca -0.02 -0.34 -0.59 0.00 0.00 0.00 0.00 47.33 46.38 3kyz h GLY 131 CO 0.12 0.30 -0.89 0.30 0.00 0.00 0.00 176.54 176.38 3kyz s HIS 132 N -3.58 1.26 0.56 5.60 3.76 -1.25 -4.98 115.29 116.66 3kyz s HIS 132 Ca -0.15 -2.22 0.24 0.00 -0.15 0.00 0.00 55.06 52.78 3kyz s HIS 132 Cb 0.02 -1.14 1.56 0.00 1.11 0.00 0.00 32.58 34.13 3kyz s HIS 132 CO 0.74 -0.80 2.16 -1.35 -0.85 0.00 0.00 174.74 174.64 3kyz h PRO 133 N 6.10 0.00 0.00 8.40 0.11 -1.68 -0.47 132.00 144.45 3kyz h PRO 133 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kyz h PRO 133 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3kyz h PRO 133 CO 0.38 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.32 3kyz n GLU 134 N -4.12 0.15 0.12 1.05 0.00 -1.26 -2.65 120.64 113.93 3kyz n GLU 134 Ca -0.01 0.39 0.09 0.00 0.00 0.00 0.00 57.16 57.63 3kyz n GLU 134 Cb 0.19 -1.79 0.02 0.00 0.00 0.00 0.00 31.44 29.86 3kyz n GLU 134 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3kyz h GLN 135 N 0.00 0.00 0.00 3.44 4.20 -1.46 -3.39 115.11 117.90 3kyz h GLN 135 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kyz h GLN 135 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3kyz h GLN 135 CO 0.00 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 3kyz n GLY 136 N 1.21 -1.66 3.28 3.46 0.00 -1.08 -4.13 105.19 106.26 3kyz n GLY 136 Ca -0.01 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 3kyz n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kyz s ARG 137 N -1.98 0.95 -0.09 1.61 1.70 -0.23 -1.58 118.95 119.32 3kyz s ARG 137 Ca 0.00 -0.69 -0.17 0.00 -0.47 0.00 0.00 55.73 54.40 3kyz s ARG 137 Cb 0.00 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3kyz s ARG 137 CO 0.00 -0.34 0.43 -1.17 -1.08 0.00 0.00 175.30 173.14 3kyz s LEU 138 N -2.59 4.32 -0.13 -1.89 2.96 0.25 -1.69 118.68 119.91 3kyz s LEU 138 Ca 0.01 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 3kyz s LEU 138 Cb 0.02 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 3kyz s LEU 138 CO -0.09 0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.19 3kyz s VAL 139 N 0.15 2.75 -0.04 1.68 1.01 0.39 -0.60 120.40 125.74 3kyz s VAL 139 Ca 0.24 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kyz s VAL 139 Cb -0.15 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3kyz s VAL 139 CO 0.10 0.53 -0.03 -0.51 0.00 0.00 0.00 175.10 175.19 3kyz s ILE 140 N 0.46 0.42 0.07 2.22 2.07 -0.55 -0.82 121.20 125.07 3kyz s ILE 140 Ca -0.11 -0.04 -0.31 0.00 -1.41 0.00 0.00 60.65 58.78 3kyz s ILE 140 Cb -0.16 -0.48 -0.07 0.00 0.13 0.00 0.00 42.46 41.88 3kyz s ILE 140 CO 0.05 0.21 1.35 -1.58 -1.91 0.00 0.00 174.94 173.06 3kyz s GLN 141 N 1.06 4.34 0.05 3.50 0.74 -0.30 -0.72 119.66 128.32 3kyz s GLN 141 Ca -0.09 1.98 -0.34 0.00 0.05 0.00 0.00 55.36 56.96 3kyz s GLN 141 Cb -0.14 -3.35 -0.13 0.00 1.10 0.00 0.00 33.01 30.50 3kyz s GLN 141 CO -0.01 -0.43 1.74 -0.11 -0.55 0.00 0.00 175.29 175.93 3kyz n LEU 142 N 4.29 3.33 -4.76 3.68 7.94 0.17 -4.64 117.00 127.01 3kyz n LEU 142 Ca 0.11 1.02 -0.41 0.00 -1.11 0.00 0.00 56.01 55.62 3kyz n LEU 142 Cb 0.44 -1.41 -0.00 0.00 0.53 0.00 0.00 43.42 42.97 3kyz n LEU 142 CO 0.58 -0.15 1.13 -2.65 -1.11 0.00 0.00 177.39 175.19 3kyz n PRO 143 N 5.06 2.62 -0.15 1.96 -0.02 -1.26 -4.79 135.00 138.42 3kyz n PRO 143 Ca 0.20 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.72 3kyz n PRO 143 Cb 0.30 -2.64 0.46 0.00 -0.02 0.00 0.00 33.50 31.60 3kyz n PRO 143 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kyz h GLU 144 N 3.14 0.49 0.00 -0.52 4.81 -1.91 -1.07 114.58 119.51 3kyz h GLU 144 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3kyz h GLU 144 Cb 1.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3kyz h GLU 144 CO 0.66 0.32 0.00 0.07 -0.73 0.00 0.00 179.01 179.33 3kyz h ARG 145 N 0.50 0.00 -0.11 1.92 0.11 -1.99 -2.92 114.38 111.89 3kyz h ARG 145 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3kyz h ARG 145 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 3kyz h ARG 145 CO -0.11 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.24 3kyz n LEU 146 N -2.49 3.00 -4.71 0.08 4.77 -0.41 -4.95 117.00 112.30 3kyz n LEU 146 Ca 0.01 -1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 54.49 3kyz n LEU 146 Cb 0.20 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3kyz n LEU 146 CO 0.20 0.54 0.97 -0.22 -1.33 0.00 0.00 177.39 177.54 3kyz s LEU 147 N -1.88 4.35 0.00 2.23 2.96 -1.11 -4.87 118.68 120.37 3kyz s LEU 147 Ca 0.31 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 3kyz s LEU 147 Cb 0.21 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3kyz s LEU 147 CO 0.31 -0.56 0.28 -2.65 -1.32 0.00 0.00 176.35 172.40