#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxf s LYS 2 N 0.00 0.21 -0.08 2.61 2.20 -0.89 -5.01 119.74 118.78 3kxf s LYS 2 Ca 0.00 0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 3kxf s LYS 2 Cb 0.00 -0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.24 3kxf s LYS 2 CO 0.00 -0.15 -0.01 0.08 -0.36 0.00 0.00 175.35 174.91 3kxf s VAL 3 N 1.17 0.46 -0.16 4.02 1.01 -1.26 -0.17 120.40 125.47 3kxf s VAL 3 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3kxf s VAL 3 Cb -0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3kxf s VAL 3 CO -0.08 0.25 -0.10 -0.89 0.00 0.00 0.00 175.10 174.28 3kxf s THR 4 N 1.94 3.20 -0.62 3.92 2.01 0.43 -4.13 115.64 122.39 3kxf s THR 4 Ca 0.05 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3kxf s THR 4 Cb -0.12 -2.38 0.16 0.00 0.01 0.00 0.00 72.50 70.16 3kxf s THR 4 CO -0.06 0.50 0.41 -1.10 -0.69 0.00 0.00 174.62 173.68 3kxf s GLN 5 N 0.66 2.42 0.35 4.92 -0.21 -1.26 -0.91 119.66 125.62 3kxf s GLN 5 Ca -0.05 -2.68 0.09 0.00 0.02 0.00 0.00 55.36 52.74 3kxf s GLN 5 Cb -0.15 -3.59 0.81 0.00 1.00 0.00 0.00 33.01 31.08 3kxf s GLN 5 CO 0.02 -1.17 1.84 0.00 -2.12 0.00 0.00 175.29 173.87 3kxf h ALA 6 N 6.66 1.83 -2.74 6.09 0.00 -1.89 -3.43 119.26 125.77 3kxf h ALA 6 Ca -0.01 0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.42 3kxf h ALA 6 Cb 0.91 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.63 3kxf h ALA 6 CO 0.71 -0.11 0.50 -0.65 0.00 0.00 0.00 179.25 179.70 3kxf s GLN 7 N -5.71 4.31 0.02 0.00 -0.21 -1.26 -4.99 119.66 111.82 3kxf s GLN 7 Ca -0.10 1.83 -0.04 0.00 0.02 0.00 0.00 55.36 57.06 3kxf s GLN 7 Cb 0.23 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 3kxf s GLN 7 CO 0.79 -0.09 -0.08 2.41 -2.12 0.00 0.00 175.29 176.20 3kxf n THR 8 N 0.53 1.15 -4.69 -0.19 -1.04 -1.26 -4.23 114.28 104.55 3kxf n THR 8 Ca 0.02 0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 62.11 3kxf n THR 8 Cb 0.46 -1.71 -0.15 0.00 -1.82 0.00 0.00 70.33 67.11 3kxf n THR 8 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3kxf s GLU 9 N -2.09 1.20 -0.05 -2.82 8.01 -1.26 0.11 118.70 121.80 3kxf s GLU 9 Ca -0.07 -0.53 -0.02 0.00 0.01 0.00 0.00 54.97 54.37 3kxf s GLU 9 Cb 0.01 -1.16 0.03 0.00 -4.31 0.00 0.00 34.13 28.70 3kxf s GLU 9 CO 0.10 0.32 0.03 0.42 0.01 0.00 0.00 175.26 176.14 3kxf s ILE 10 N -0.35 0.13 -0.16 -1.63 1.01 0.14 -4.92 121.20 115.42 3kxf s ILE 10 Ca 0.06 0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 3kxf s ILE 10 Cb -0.06 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 3kxf s ILE 10 CO -0.01 0.22 0.03 -0.44 0.00 0.00 0.00 174.94 174.74 3kxf s SER 11 N 2.03 5.37 0.14 3.58 0.01 -1.26 -0.09 113.70 123.48 3kxf s SER 11 Ca 0.04 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.30 3kxf s SER 11 Cb -0.12 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 3kxf s SER 11 CO -0.04 0.21 0.16 0.68 0.41 0.00 0.00 173.24 174.66 3kxf s VAL 12 N 0.14 0.09 0.25 3.43 -7.23 -0.97 -5.01 120.40 111.09 3kxf s VAL 12 Ca 0.03 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 3kxf s VAL 12 Cb -0.13 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3kxf s VAL 12 CO 0.01 -0.40 0.33 -0.69 -0.31 0.00 0.00 175.10 174.04 3kxf s VAL 13 N -4.01 5.06 0.14 1.32 1.01 -1.26 -0.67 120.40 121.99 3kxf s VAL 13 Ca 0.20 -1.08 -0.32 0.00 0.00 0.00 0.00 61.98 60.78 3kxf s VAL 13 Cb 0.06 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.51 3kxf s VAL 13 CO 0.01 -0.33 0.82 -0.62 0.00 0.00 0.00 175.10 174.98 3kxf n GLU 14 N -1.37 0.27 0.00 2.72 1.02 -0.16 -2.24 120.64 120.88 3kxf n GLU 14 Ca -0.09 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kxf n GLU 14 Cb 0.57 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3kxf n GLU 14 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kxf n ASP 15 N 1.81 0.00 -4.74 1.62 8.00 -0.48 -4.86 116.55 117.90 3kxf n ASP 15 Ca 0.18 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 3kxf n ASP 15 Cb 0.20 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.40 3kxf n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kxf s GLU 16 N -0.17 2.17 -0.13 -1.24 2.02 -0.95 -3.74 118.70 116.66 3kxf s GLU 16 Ca 0.00 1.43 -0.08 0.00 0.02 0.00 0.00 54.97 56.34 3kxf s GLU 16 Cb 0.00 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 3kxf s GLU 16 CO 0.00 -1.75 0.16 -0.51 0.02 0.00 0.00 175.26 173.18 3kxf s ASP 17 N -2.72 6.38 -0.09 -0.19 1.01 -1.26 -1.80 116.67 118.00 3kxf s ASP 17 Ca 0.67 0.46 0.04 0.00 0.71 0.00 0.00 52.55 54.43 3kxf s ASP 17 Cb -0.22 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 3kxf s ASP 17 CO 0.50 0.36 -0.24 -0.69 0.21 0.00 0.00 175.17 175.31 3kxf s VAL 18 N -0.74 2.01 -0.35 -1.27 1.01 -0.55 -4.99 120.40 115.52 3kxf s VAL 18 Ca 0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3kxf s VAL 18 Cb -0.12 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.61 3kxf s VAL 18 CO 0.03 0.55 0.09 -0.89 0.00 0.00 0.00 175.10 174.89 3kxf s THR 19 N 0.23 2.90 -0.07 3.92 2.01 -1.26 -0.71 115.64 122.65 3kxf s THR 19 Ca -0.15 -1.91 -0.26 0.00 0.31 0.00 0.00 61.69 59.68 3kxf s THR 19 Cb -0.17 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 3kxf s THR 19 CO 0.07 -0.46 0.85 -0.76 -0.69 0.00 0.00 174.62 173.63 3kxf s LEU 20 N 1.11 4.29 -0.13 4.42 1.43 0.28 -4.91 118.68 125.17 3kxf s LEU 20 Ca 0.04 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.40 3kxf s LEU 20 Cb -0.21 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 3kxf s LEU 20 CO -0.04 -0.26 0.20 -1.81 0.23 0.00 0.00 176.35 174.67 3kxf s ASP 21 N 0.97 6.41 -0.01 2.29 1.01 -1.26 0.02 116.67 126.10 3kxf s ASP 21 Ca 0.43 0.49 0.03 0.00 0.71 0.00 0.00 52.55 54.21 3kxf s ASP 21 Cb -0.19 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 3kxf s ASP 21 CO 0.20 0.29 -0.09 0.00 0.21 0.00 0.00 175.17 175.78 3kxf s VAL 23 N -0.13 -0.04 0.35 0.00 1.01 -0.09 -2.96 120.40 118.53 3kxf s VAL 23 Ca 0.02 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3kxf s VAL 23 Cb -0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.98 3kxf s VAL 23 CO -0.00 0.07 0.03 -0.72 0.00 0.00 0.00 175.10 174.47 3kxf s TYR 24 N 1.15 2.16 -0.04 5.22 -0.85 -0.96 0.16 117.35 124.19 3kxf s TYR 24 Ca -0.09 -0.83 -0.02 0.00 -0.52 0.00 0.00 57.07 55.62 3kxf s TYR 24 Cb -0.11 -1.44 0.03 0.00 0.38 0.00 0.00 41.96 40.82 3kxf s TYR 24 CO -0.07 0.20 0.05 -1.21 -1.52 0.00 0.00 175.55 173.00 3kxf s GLU 25 N -3.81 -0.01 0.02 -3.49 2.02 0.75 -4.86 118.70 109.32 3kxf s GLU 25 Ca 0.35 0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.69 3kxf s GLU 25 Cb 0.09 -0.49 -0.01 0.00 0.10 0.00 0.00 34.13 33.81 3kxf s GLU 25 CO 0.16 -0.29 -0.11 0.99 0.02 0.00 0.00 175.26 176.03 3kxf s THR 26 N 1.92 0.82 -1.55 3.63 2.01 -1.26 -0.14 115.64 121.07 3kxf s THR 26 Ca 0.02 -0.69 0.29 0.00 0.31 0.00 0.00 61.69 61.61 3kxf s THR 26 Cb -0.12 -0.74 0.42 0.00 0.01 0.00 0.00 72.50 72.07 3kxf s THR 26 CO -0.03 0.05 1.85 -1.14 -0.69 0.00 0.00 174.62 174.66 3kxf n ARG 27 N 2.33 0.58 -2.64 4.92 3.00 -1.26 -4.94 116.66 118.66 3kxf n ARG 27 Ca -0.16 -0.19 -0.23 0.00 -0.00 0.00 0.00 57.85 57.27 3kxf n ARG 27 Cb 0.56 -1.50 0.08 0.00 0.00 0.00 0.00 32.46 31.61 3kxf n ARG 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3kxf s ASP 28 N -2.55 4.66 -0.01 6.15 1.11 -1.26 -5.05 116.67 119.73 3kxf s ASP 28 Ca 0.27 -0.32 0.02 0.00 0.18 0.00 0.00 52.55 52.70 3kxf s ASP 28 Cb 0.20 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.95 3kxf s ASP 28 CO 0.49 -1.62 0.02 0.35 1.18 0.00 0.00 175.17 175.59 3kxf n THR 29 N -2.65 0.05 -3.77 -1.27 -2.24 -1.26 -5.00 114.28 98.15 3kxf n THR 29 Ca 0.13 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 3kxf n THR 29 Cb 0.60 -0.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.45 3kxf n THR 29 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kxf s THR 30 N -2.08 0.43 0.31 4.28 2.01 -1.26 -4.92 115.64 114.40 3kxf s THR 30 Ca -0.01 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 3kxf s THR 30 Cb 0.01 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.89 3kxf s THR 30 CO 0.07 0.17 0.63 -0.72 -0.69 0.00 0.00 174.62 174.08 3kxf s TYR 31 N 1.94 0.25 0.07 4.92 -0.85 -1.26 -4.59 117.35 117.83 3kxf s TYR 31 Ca 0.04 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 55.91 3kxf s TYR 31 Cb -0.13 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 3kxf s TYR 31 CO -0.06 -1.24 -0.09 1.52 -1.52 0.00 0.00 175.55 174.15 3kxf s TYR 32 N -3.37 0.91 -0.02 -3.49 -0.85 0.29 -0.88 117.35 109.93 3kxf s TYR 32 Ca 0.19 -0.60 0.08 0.00 -0.52 0.00 0.00 57.07 56.21 3kxf s TYR 32 Cb -0.03 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.77 3kxf s TYR 32 CO 0.11 -0.05 -0.26 -0.51 -1.52 0.00 0.00 175.55 173.33 3kxf s LEU 33 N -2.08 2.05 0.05 -3.49 1.43 0.32 -1.48 118.68 115.48 3kxf s LEU 33 Ca -0.01 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3kxf s LEU 33 Cb -0.06 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 3kxf s LEU 33 CO -0.00 0.31 0.14 -0.36 0.23 0.00 0.00 176.35 176.66 3kxf s PHE 34 N -0.55 3.37 -0.10 0.29 0.08 0.72 -2.10 117.98 119.69 3kxf s PHE 34 Ca 0.08 0.20 0.03 0.00 0.12 0.00 0.00 56.93 57.35 3kxf s PHE 34 Cb -0.10 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3kxf s PHE 34 CO -0.00 0.57 -0.18 -1.58 -0.10 0.00 0.00 175.22 173.92 3kxf s TRP 35 N -1.39 2.15 0.07 0.36 0.52 -0.72 -0.99 118.94 118.95 3kxf s TRP 35 Ca 0.30 -0.94 0.09 0.00 0.02 0.00 0.00 56.10 55.56 3kxf s TRP 35 Cb -0.12 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 3kxf s TRP 35 CO 0.22 -0.43 -0.24 0.71 0.02 0.00 0.00 176.95 177.23 3kxf s TYR 36 N 0.68 2.09 -0.20 -1.98 1.51 0.76 -1.79 117.35 118.42 3kxf s TYR 36 Ca -0.12 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.48 3kxf s TYR 36 Cb -0.16 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 3kxf s TYR 36 CO 0.03 0.17 0.02 0.21 -1.11 0.00 0.00 175.55 174.87 3kxf s LYS 37 N -1.49 3.71 -0.49 -0.62 2.20 -0.00 -0.48 119.74 122.57 3kxf s LYS 37 Ca 0.10 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 3kxf s LYS 37 Cb -0.10 -3.13 0.13 0.00 -1.51 0.00 0.00 37.83 33.22 3kxf s LYS 37 CO 0.03 0.07 0.25 -1.14 -0.36 0.00 0.00 175.35 174.20 3kxf s GLN 38 N 0.88 2.02 0.87 4.03 0.74 0.39 0.29 119.66 128.88 3kxf s GLN 38 Ca 0.02 -2.35 -0.12 0.00 0.05 0.00 0.00 55.36 52.96 3kxf s GLN 38 Cb -0.14 -3.43 0.11 0.00 1.10 0.00 0.00 33.01 30.65 3kxf s GLN 38 CO 0.02 -1.08 1.11 -1.25 -0.55 0.00 0.00 175.29 173.54 3kxf s PRO 39 N 0.19 1.47 0.55 1.67 0.04 -1.26 -0.93 135.00 136.74 3kxf s PRO 39 Ca 0.15 0.52 0.28 0.00 0.04 0.00 0.00 61.00 61.98 3kxf s PRO 39 Cb -0.23 -1.86 1.46 0.00 0.04 0.00 0.00 34.50 33.92 3kxf s PRO 39 CO -0.03 -2.02 1.96 -1.35 0.04 0.00 0.00 177.00 175.60 3kxf h PRO 40 N -1.37 0.00 -1.01 0.56 0.11 -1.95 -0.99 132.00 127.34 3kxf h PRO 40 Ca -0.49 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.87 3kxf h PRO 40 Cb 1.30 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 3kxf h PRO 40 CO 0.60 0.00 0.61 1.03 -0.21 0.00 0.00 178.00 180.02 3kxf h SER 41 N 0.00 0.64 0.00 -2.05 0.87 -1.98 -3.47 113.55 107.56 3kxf h SER 41 Ca 0.26 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3kxf h SER 41 Cb 1.15 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3kxf h SER 41 CO -0.00 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 3kxf n GLY 42 N -1.34 3.30 3.57 5.77 0.00 -0.38 -5.12 105.19 111.00 3kxf n GLY 42 Ca 0.27 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 3kxf n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kxf s GLU 43 N 0.00 -0.57 -0.23 1.61 1.03 -1.26 -4.87 118.70 114.42 3kxf s GLU 43 Ca 0.00 0.52 -0.00 0.00 0.03 0.00 0.00 54.97 55.52 3kxf s GLU 43 Cb 0.00 -1.62 0.03 0.00 -0.80 0.00 0.00 34.13 31.73 3kxf s GLU 43 CO 0.00 -3.40 -0.11 -0.51 -1.33 0.00 0.00 175.26 169.91 3kxf s LEU 44 N -6.91 2.90 -0.22 1.83 1.43 -1.26 -4.09 118.68 112.35 3kxf s LEU 44 Ca 0.67 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3kxf s LEU 44 Cb -0.20 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3kxf s LEU 44 CO 0.60 -0.09 0.01 0.54 0.23 0.00 0.00 176.35 177.65 3kxf s VAL 45 N 1.30 3.93 0.20 -1.59 0.11 0.14 -4.89 120.40 119.61 3kxf s VAL 45 Ca 0.01 -0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 58.43 3kxf s VAL 45 Cb -0.16 -2.80 -0.13 0.00 -1.53 0.00 0.00 36.38 31.76 3kxf s VAL 45 CO -0.07 0.40 1.59 0.33 -3.33 0.00 0.00 175.10 174.01 3kxf n PHE 46 N 4.62 2.45 -0.01 1.54 7.35 -1.26 -0.82 117.46 131.33 3kxf n PHE 46 Ca -0.17 0.24 -0.02 0.00 -0.76 0.00 0.00 57.45 56.74 3kxf n PHE 46 Cb 0.51 -2.57 -0.01 0.00 0.35 0.00 0.00 39.48 37.77 3kxf n PHE 46 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3kxf n LEU 47 N 3.17 0.80 -3.97 -2.13 4.77 -0.74 -4.90 117.00 114.01 3kxf n LEU 47 Ca 0.15 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 3kxf n LEU 47 Cb 0.32 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 3kxf n LEU 47 CO 0.63 -0.52 -0.35 -0.51 -1.33 0.00 0.00 177.39 175.32 3kxf s ILE 48 N -1.76 0.11 0.05 -0.08 2.07 -1.18 -5.00 121.20 115.41 3kxf s ILE 48 Ca -0.07 -0.87 0.07 0.00 -1.41 0.00 0.00 60.65 58.37 3kxf s ILE 48 Cb 0.01 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 3kxf s ILE 48 CO 0.11 -0.48 -0.20 -0.60 -1.91 0.00 0.00 174.94 171.86 3kxf s ARG 49 N -1.42 1.33 -0.16 3.50 3.52 -1.26 -1.75 118.95 122.70 3kxf s ARG 49 Ca -0.16 -0.93 -0.10 0.00 -0.13 0.00 0.00 55.73 54.41 3kxf s ARG 49 Cb -0.10 -1.43 0.05 0.00 -1.56 0.00 0.00 34.95 31.91 3kxf s ARG 49 CO -0.01 0.36 0.40 0.50 -0.81 0.00 0.00 175.30 175.74 3kxf s ARG 50 N -1.20 0.40 0.03 5.12 6.06 -0.89 -4.97 118.95 123.51 3kxf s ARG 50 Ca 0.07 0.70 -0.13 0.00 -2.50 0.00 0.00 55.73 53.86 3kxf s ARG 50 Cb -0.09 0.05 -0.06 0.00 0.06 0.00 0.00 34.95 34.91 3kxf s ARG 50 CO 0.02 -0.13 0.42 -0.80 -2.50 0.00 0.00 175.30 172.31 3kxf s ASN 51 N 1.02 6.76 0.41 -2.12 0.01 -1.26 -0.52 114.94 119.24 3kxf s ASN 51 Ca -0.07 0.93 0.19 0.00 -0.71 0.00 0.00 52.86 53.20 3kxf s ASN 51 Cb -0.07 -2.23 1.06 0.00 0.41 0.00 0.00 41.25 40.42 3kxf s ASN 51 CO -0.08 0.27 1.54 0.77 -1.51 0.00 0.00 177.10 178.08 3kxf h SER 52 N 4.34 0.00 -0.48 -1.22 4.64 -1.38 -1.00 113.55 118.44 3kxf h SER 52 Ca -0.51 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 3kxf h SER 52 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 3kxf h SER 52 CO 0.63 0.00 0.06 2.22 -0.87 0.00 0.00 176.83 178.87 3kxf n PHE 53 N -2.31 1.68 -3.37 4.77 1.16 -1.26 -4.99 117.46 113.13 3kxf n PHE 53 Ca -0.01 -0.97 -0.19 0.00 -1.87 0.00 0.00 57.45 54.41 3kxf n PHE 53 Cb 0.27 -0.48 -0.01 0.00 -1.61 0.00 0.00 39.48 37.65 3kxf n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3kxf s ASP 54 N -1.42 5.53 0.76 5.98 1.01 -0.38 -5.13 116.67 123.02 3kxf s ASP 54 Ca 0.49 -0.46 -0.11 0.00 0.71 0.00 0.00 52.55 53.19 3kxf s ASP 54 Cb 0.40 -0.82 0.06 0.00 1.01 0.00 0.00 42.92 43.57 3kxf s ASP 54 CO 0.11 -0.60 1.12 -1.61 0.21 0.00 0.00 175.17 174.41 3kxf s GLU 55 N -4.20 2.26 -0.17 8.23 2.02 -1.26 -5.04 118.70 120.54 3kxf s GLU 55 Ca 0.49 0.13 -0.22 0.00 0.02 0.00 0.00 54.97 55.39 3kxf s GLU 55 Cb -0.08 -2.02 -0.23 0.00 0.10 0.00 0.00 34.13 31.91 3kxf s GLU 55 CO 0.30 -1.36 0.43 -0.56 0.02 0.00 0.00 175.26 174.09 3kxf h GLN 56 N -0.85 0.06 -4.25 1.61 -0.00 -1.91 -3.46 115.11 106.31 3kxf h GLN 56 Ca -0.45 -0.10 -0.37 0.00 -0.00 0.00 0.00 58.65 57.73 3kxf h GLN 56 Cb 1.31 0.04 -0.09 0.00 -0.00 0.00 0.00 27.48 28.73 3kxf h GLN 56 CO 0.64 1.05 1.61 -1.71 -0.00 0.00 0.00 178.83 180.42 3kxf n ASN 57 N -4.35 -0.47 -3.30 0.06 2.85 -1.26 -4.63 115.26 104.16 3kxf n ASN 57 Ca -0.25 -0.14 -0.25 0.00 -0.11 0.00 0.00 54.58 53.82 3kxf n ASN 57 Cb 0.69 -0.62 -0.09 0.00 1.24 0.00 0.00 39.78 41.00 3kxf n ASN 57 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3kxf n GLU 58 N 6.02 0.41 -1.64 1.20 4.07 -1.26 -5.02 120.64 124.43 3kxf n GLU 58 Ca 0.57 -3.17 -0.35 0.00 -0.06 0.00 0.00 57.16 54.15 3kxf n GLU 58 Cb 0.07 -1.47 -0.04 0.00 -0.06 0.00 0.00 31.44 29.94 3kxf n GLU 58 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3kxf n ILE 59 N 2.23 4.47 -2.22 6.31 5.41 -1.26 -3.28 119.36 131.02 3kxf n ILE 59 Ca 0.26 -3.38 -0.32 0.00 1.00 0.00 0.00 62.75 60.31 3kxf n ILE 59 Cb 0.50 -2.13 -0.04 0.00 -0.71 0.00 0.00 39.64 37.26 3kxf n ILE 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3kxf s SER 60 N 0.99 5.57 1.18 4.38 0.15 -0.85 -4.80 113.70 120.32 3kxf s SER 60 Ca 0.60 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.94 3kxf s SER 60 Cb 0.23 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 3kxf s SER 60 CO -0.10 -2.41 0.00 0.61 1.20 0.00 0.00 173.24 172.54 3kxf n GLY 61 N 6.39 1.83 0.26 9.45 0.00 -1.26 -2.87 105.19 118.99 3kxf n GLY 61 Ca 0.41 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3kxf n GLY 61 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kxf h ARG 62 N 0.00 0.80 -6.96 1.61 3.08 -1.89 -3.44 114.38 107.58 3kxf h ARG 62 Ca 0.00 -0.36 -0.51 0.00 0.07 0.00 0.00 59.98 59.18 3kxf h ARG 62 Cb 0.00 -0.02 0.05 0.00 0.08 0.00 0.00 29.97 30.09 3kxf h ARG 62 CO 0.00 0.99 0.49 0.71 -1.07 0.00 0.00 179.97 181.09 3kxf s TYR 63 N -4.51 3.02 -0.28 3.04 2.02 -1.14 -2.77 117.35 116.73 3kxf s TYR 63 Ca -0.10 1.55 -0.15 0.00 -0.37 0.00 0.00 57.07 58.01 3kxf s TYR 63 Cb 0.12 -3.37 0.09 0.00 -0.40 0.00 0.00 41.96 38.40 3kxf s TYR 63 CO 0.85 -1.34 0.71 -1.54 -1.57 0.00 0.00 175.55 172.66 3kxf s SER 64 N -1.22 -0.94 0.20 2.29 1.04 -0.95 -2.00 113.70 112.11 3kxf s SER 64 Ca 0.59 1.46 0.07 0.00 0.48 0.00 0.00 55.95 58.55 3kxf s SER 64 Cb -0.30 1.52 -0.04 0.00 0.10 0.00 0.00 66.02 67.30 3kxf s SER 64 CO 0.37 -0.23 0.09 0.26 0.98 0.00 0.00 173.24 174.72 3kxf s TRP 65 N 1.82 3.00 -0.39 5.02 0.51 -1.21 -2.23 118.94 125.46 3kxf s TRP 65 Ca -0.09 -0.09 0.01 0.00 -2.12 0.00 0.00 56.10 53.80 3kxf s TRP 65 Cb -0.06 -1.41 0.14 0.00 -0.81 0.00 0.00 33.47 31.33 3kxf s TRP 65 CO -0.19 0.53 0.23 1.21 -0.51 0.00 0.00 176.95 178.21 3kxf s ASN 66 N -3.28 3.18 -1.06 2.95 3.04 -0.97 -4.28 114.94 114.53 3kxf s ASN 66 Ca 0.30 -2.38 -0.19 0.00 0.04 0.00 0.00 52.86 50.63 3kxf s ASN 66 Cb -0.09 -0.64 0.10 0.00 -1.54 0.00 0.00 41.25 39.08 3kxf s ASN 66 CO 0.22 -0.29 1.37 0.12 -3.04 0.00 0.00 177.10 175.48 3kxf s PHE 67 N 0.76 2.95 -0.99 0.43 5.36 -1.26 -3.36 117.98 121.88 3kxf s PHE 67 Ca 0.18 -1.38 -0.19 0.00 -0.96 0.00 0.00 56.93 54.59 3kxf s PHE 67 Cb -0.23 -4.48 0.12 0.00 -0.34 0.00 0.00 43.02 38.09 3kxf s PHE 67 CO 0.00 -1.66 1.22 -0.65 -1.46 0.00 0.00 175.22 172.67 3kxf s GLN 68 N 3.42 3.67 0.51 10.12 -1.52 0.76 -4.65 119.66 131.98 3kxf s GLN 68 Ca 0.42 -1.80 0.21 0.00 -1.95 0.00 0.00 55.36 52.24 3kxf s GLN 68 Cb -0.02 -5.01 1.30 0.00 -0.22 0.00 0.00 33.01 29.07 3kxf s GLN 68 CO -0.06 -1.84 2.03 -0.22 -0.25 0.00 0.00 175.29 174.95 3kxf h LYS 69 N 8.70 0.07 -0.26 2.91 3.64 -1.93 -0.60 116.57 129.10 3kxf h LYS 69 Ca 0.19 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 3kxf h LYS 69 Cb 1.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3kxf h LYS 69 CO 1.17 0.05 -0.49 0.66 -2.27 0.00 0.00 179.45 178.57 3kxf h SER 70 N 0.07 0.77 -0.48 4.20 4.64 -1.94 -3.18 113.55 117.63 3kxf h SER 70 Ca 0.20 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3kxf h SER 70 Cb 0.71 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kxf h SER 70 CO -0.02 1.13 0.00 0.35 -0.87 0.00 0.00 176.83 177.42 3kxf n THR 71 N -4.00 0.72 -3.82 2.95 -2.24 -0.87 -4.97 114.28 102.04 3kxf n THR 71 Ca -0.03 -0.86 -0.25 0.00 -2.27 0.00 0.00 64.05 60.64 3kxf n THR 71 Cb 0.58 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.58 3kxf n THR 71 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kxf n SER 72 N 1.36 -1.38 -4.39 3.42 7.64 -0.33 -4.84 113.62 115.11 3kxf n SER 72 Ca 0.19 -0.94 -0.29 0.00 1.01 0.00 0.00 58.87 58.84 3kxf n SER 72 Cb 0.57 -3.46 -0.13 0.00 -1.01 0.00 0.00 64.21 60.18 3kxf n SER 72 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kxf s SER 73 N -4.23 3.33 -0.28 6.43 1.04 -0.61 -2.27 113.70 117.10 3kxf s SER 73 Ca 0.08 -0.69 0.21 0.00 0.48 0.00 0.00 55.95 56.03 3kxf s SER 73 Cb -0.03 -0.27 0.49 0.00 0.10 0.00 0.00 66.02 66.32 3kxf s SER 73 CO 0.86 0.20 1.08 0.33 0.98 0.00 0.00 173.24 176.69 3kxf n PHE 74 N 1.15 1.16 -1.61 5.02 7.35 -1.16 -0.17 117.46 129.21 3kxf n PHE 74 Ca -0.18 -2.31 -0.45 0.00 -0.76 0.00 0.00 57.45 53.76 3kxf n PHE 74 Cb 0.53 -0.23 -0.02 0.00 0.35 0.00 0.00 39.48 40.10 3kxf n PHE 74 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3kxf n ASN 75 N -0.47 1.60 -4.54 -2.13 3.02 -1.21 -4.64 115.26 106.88 3kxf n ASN 75 Ca 0.07 1.17 -0.34 0.00 -0.03 0.00 0.00 54.58 55.45 3kxf n ASN 75 Cb 0.81 -1.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 3kxf n ASN 75 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3kxf s PHE 76 N -0.77 3.05 -0.07 3.10 5.36 0.10 -2.30 117.98 126.45 3kxf s PHE 76 Ca 0.62 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 3kxf s PHE 76 Cb -0.71 -1.91 0.01 0.00 -0.34 0.00 0.00 43.02 40.07 3kxf s PHE 76 CO 0.57 0.09 -0.14 0.99 -1.46 0.00 0.00 175.22 175.28 3kxf s THR 77 N 0.04 1.30 -0.20 0.12 2.01 -0.95 0.99 115.64 118.96 3kxf s THR 77 Ca 0.01 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3kxf s THR 77 Cb -0.13 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 3kxf s THR 77 CO 0.02 0.39 0.04 -0.63 -0.69 0.00 0.00 174.62 173.75 3kxf s ILE 78 N 0.59 4.37 -0.03 1.82 1.01 0.11 -2.23 121.20 126.84 3kxf s ILE 78 Ca -0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3kxf s ILE 78 Cb -0.16 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3kxf s ILE 78 CO 0.05 0.43 0.20 0.42 0.00 0.00 0.00 174.94 176.04 3kxf s THR 79 N 0.78 5.41 -0.91 2.92 -4.23 -1.12 -1.47 115.64 117.01 3kxf s THR 79 Ca 0.02 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 3kxf s THR 79 Cb -0.14 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.19 3kxf s THR 79 CO 0.02 0.42 0.66 0.00 -0.54 0.00 0.00 174.62 175.18 3kxf n ALA 80 N 1.28 -2.69 -1.51 3.99 0.00 -1.24 -4.86 120.51 115.48 3kxf n ALA 80 Ca -0.13 -0.27 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 3kxf n ALA 80 Cb 0.53 -1.63 0.09 0.00 0.00 0.00 0.00 19.45 18.44 3kxf n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kxf s SER 81 N -3.14 4.26 0.11 0.00 1.04 -0.75 -4.52 113.70 110.70 3kxf s SER 81 Ca 0.14 2.52 0.05 0.00 0.48 0.00 0.00 55.95 59.15 3kxf s SER 81 Cb -0.07 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 3kxf s SER 81 CO 0.88 -2.23 -0.14 -1.10 0.98 0.00 0.00 173.24 171.63 3kxf s GLN 82 N -3.65 0.95 0.26 4.02 -0.21 -1.26 -1.38 119.66 118.40 3kxf s GLN 82 Ca 0.79 -1.16 -0.02 0.00 0.02 0.00 0.00 55.36 54.99 3kxf s GLN 82 Cb -0.34 -0.85 0.56 0.00 1.00 0.00 0.00 33.01 33.38 3kxf s GLN 82 CO 0.43 0.17 1.66 0.28 -2.12 0.00 0.00 175.29 175.71 3kxf h VAL 83 N 3.73 0.41 0.00 1.09 2.07 -1.90 0.15 116.25 121.79 3kxf h VAL 83 Ca -0.40 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kxf h VAL 83 Cb 1.19 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3kxf h VAL 83 CO 0.48 0.04 0.18 0.58 0.02 0.00 0.00 177.57 178.87 3kxf h VAL 84 N 0.22 0.00 0.00 2.57 2.07 -1.96 0.32 116.25 119.47 3kxf h VAL 84 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 3kxf h VAL 84 Cb 0.88 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kxf h VAL 84 CO -0.59 0.00 0.00 0.47 0.02 0.00 0.00 177.57 177.47 3kxf n ASP 85 N -2.69 0.03 -4.67 0.57 8.00 0.54 -4.87 116.55 113.46 3kxf n ASP 85 Ca -0.02 0.50 -0.44 0.00 0.71 0.00 0.00 54.79 55.55 3kxf n ASP 85 Cb 0.23 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3kxf n ASP 85 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kxf n SER 86 N -1.53 3.94 -3.61 -2.24 7.64 0.11 -4.91 113.62 113.03 3kxf n SER 86 Ca 0.07 0.95 -0.01 0.00 1.01 0.00 0.00 58.87 60.89 3kxf n SER 86 Cb 0.33 -1.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.04 3kxf n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kxf s ALA 87 N 3.78 -1.99 -0.27 -0.43 0.00 -0.66 -4.61 121.76 117.58 3kxf s ALA 87 Ca 0.88 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 3kxf s ALA 87 Cb -0.51 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3kxf s ALA 87 CO 0.43 -1.08 0.37 0.08 0.00 0.00 0.00 175.76 175.56 3kxf s VAL 88 N -2.38 5.18 -0.18 0.00 1.01 -0.11 -0.05 120.40 123.88 3kxf s VAL 88 Ca 0.20 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 3kxf s VAL 88 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3kxf s VAL 88 CO 0.01 0.15 0.02 -0.31 0.00 0.00 0.00 175.10 174.97 3kxf s TYR 89 N 2.06 3.15 -0.17 5.22 2.02 0.04 -0.46 117.35 129.21 3kxf s TYR 89 Ca 0.15 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 3kxf s TYR 89 Cb -0.16 -2.04 -0.00 0.00 -0.40 0.00 0.00 41.96 39.36 3kxf s TYR 89 CO 0.10 0.05 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.94 3kxf s PHE 90 N 0.44 2.83 -0.08 2.71 0.08 0.37 -2.31 117.98 122.03 3kxf s PHE 90 Ca 0.00 -1.06 -0.11 0.00 0.12 0.00 0.00 56.93 55.88 3kxf s PHE 90 Cb -0.13 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3kxf s PHE 90 CO 0.01 -0.51 0.28 0.00 -0.10 0.00 0.00 175.22 174.90 3kxf s ALA 92 N -0.79 -0.12 0.02 0.00 0.00 -0.16 -0.57 121.76 120.14 3kxf s ALA 92 Ca 0.19 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.85 3kxf s ALA 92 Cb -0.14 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3kxf s ALA 92 CO 0.08 -0.21 -0.19 -1.17 0.00 0.00 0.00 175.76 174.27 3kxf s LEU 93 N -1.53 2.12 -0.21 0.00 2.96 0.24 -0.20 118.68 122.06 3kxf s LEU 93 Ca -0.14 -0.45 -0.27 0.00 -0.22 0.00 0.00 54.13 53.06 3kxf s LEU 93 Cb -0.07 -0.93 0.08 0.00 0.50 0.00 0.00 46.19 45.76 3kxf s LEU 93 CO -0.00 0.17 0.74 -0.55 -1.32 0.00 0.00 176.35 175.39 3kxf s SER 94 N -0.92 -0.69 1.21 3.68 0.15 -0.55 -0.40 113.70 116.18 3kxf s SER 94 Ca 0.07 1.20 -0.19 0.00 0.70 0.00 0.00 55.95 57.72 3kxf s SER 94 Cb -0.08 1.16 0.29 0.00 -1.71 0.00 0.00 66.02 65.68 3kxf s SER 94 CO 0.01 -0.33 1.10 -0.83 1.20 0.00 0.00 173.24 174.39 3kxf s GLY 95 N -0.05 1.58 0.02 9.45 0.00 -1.26 -0.54 107.32 116.50 3kxf s GLY 95 Ca -0.02 -0.93 0.21 0.00 0.00 0.00 0.00 44.72 43.97 3kxf s GLY 95 CO 0.03 -0.05 0.61 0.69 0.00 0.00 0.00 173.10 174.38 3kxf n PHE 96 N -4.78 0.41 -3.49 1.90 3.01 -1.26 -4.75 117.46 108.50 3kxf n PHE 96 Ca 0.13 0.13 -0.23 0.00 1.01 0.00 0.00 57.45 58.49 3kxf n PHE 96 Cb 0.59 -0.80 -0.01 0.00 -0.01 0.00 0.00 39.48 39.26 3kxf n PHE 96 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3kxf s TYR 97 N -3.21 3.42 0.22 1.38 1.51 -1.26 -5.00 117.35 114.40 3kxf s TYR 97 Ca -0.06 0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.11 3kxf s TYR 97 Cb 0.11 -1.87 0.28 0.00 -0.11 0.00 0.00 41.96 40.37 3kxf s TYR 97 CO 0.85 0.13 1.81 -2.95 -1.11 0.00 0.00 175.55 174.29 3kxf h ASN 98 N 0.83 0.61 -0.04 2.29 -1.07 -2.04 -1.65 115.58 114.51 3kxf h ASN 98 Ca -0.50 0.03 0.01 0.00 0.07 0.00 0.00 56.30 55.92 3kxf h ASN 98 Cb 1.23 -0.09 -0.00 0.00 -2.07 0.00 0.00 38.32 37.39 3kxf h ASN 98 CO 0.60 0.38 0.07 0.71 0.07 0.00 0.00 177.43 179.27 3kxf h THR 99 N 0.74 0.31 -3.38 6.14 1.35 -1.99 -3.43 112.91 112.64 3kxf h THR 99 Ca 0.33 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.66 3kxf h THR 99 Cb 0.22 0.94 0.03 0.00 -1.73 0.00 0.00 68.15 67.61 3kxf h THR 99 CO -0.20 0.00 0.64 -1.81 -0.25 0.00 0.00 175.52 173.90 3kxf s ASP 100 N -5.62 6.93 0.47 5.36 1.01 -0.62 -5.03 116.67 119.17 3kxf s ASP 100 Ca -0.05 2.36 -0.13 0.00 0.71 0.00 0.00 52.55 55.44 3kxf s ASP 100 Cb 0.14 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 3kxf s ASP 100 CO 0.48 -0.51 0.89 -0.54 0.21 0.00 0.00 175.17 175.70 3kxf s LYS 101 N -0.05 3.84 -0.20 8.23 1.02 -1.26 -4.88 119.74 126.45 3kxf s LYS 101 Ca 0.56 0.71 -0.05 0.00 0.02 0.00 0.00 55.97 57.22 3kxf s LYS 101 Cb -0.36 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 3kxf s LYS 101 CO 0.37 -0.18 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.44 3kxf s LEU 102 N -4.05 3.17 -0.24 3.17 2.96 -1.26 -4.26 118.68 118.17 3kxf s LEU 102 Ca 0.55 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3kxf s LEU 102 Cb -0.10 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3kxf s LEU 102 CO 0.33 0.06 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.75 3kxf s ILE 103 N 1.02 3.26 0.01 6.68 -1.09 0.47 -4.97 121.20 126.58 3kxf s ILE 103 Ca 0.01 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.63 3kxf s ILE 103 Cb -0.14 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 3kxf s ILE 103 CO 0.01 0.32 0.37 -0.36 -1.23 0.00 0.00 174.94 174.05 3kxf s PHE 104 N 1.43 3.66 1.04 3.97 0.40 -1.26 -0.59 117.98 126.63 3kxf s PHE 104 Ca 0.04 0.86 -0.17 0.00 -0.60 0.00 0.00 56.93 57.05 3kxf s PHE 104 Cb -0.15 -2.19 0.25 0.00 0.51 0.00 0.00 43.02 41.44 3kxf s PHE 104 CO -0.03 0.62 1.00 0.41 0.70 0.00 0.00 175.22 177.91 3kxf n GLY 105 N 1.52 -2.50 0.87 4.36 0.00 0.27 -4.75 105.19 104.96 3kxf n GLY 105 Ca -0.13 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.44 3kxf n GLY 105 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kxf n THR 106 N -4.39 0.62 0.00 2.61 5.66 -1.26 -4.88 114.28 112.64 3kxf n THR 106 Ca 0.14 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3kxf n THR 106 Cb 0.51 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 3kxf n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kxf n GLY 107 N 1.26 -2.31 3.24 1.09 0.00 -1.26 -5.01 105.19 102.20 3kxf n GLY 107 Ca 0.16 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 3kxf n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxf s THR 108 N -2.56 -0.45 -0.25 2.61 2.01 -0.98 -4.59 115.64 111.44 3kxf s THR 108 Ca 0.00 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 3kxf s THR 108 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3kxf s THR 108 CO 0.00 0.07 0.67 -0.60 -0.69 0.00 0.00 174.62 174.07 3kxf s ARG 109 N 2.25 4.13 -0.29 4.92 3.52 0.30 -0.78 118.95 133.00 3kxf s ARG 109 Ca -0.04 0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 56.10 3kxf s ARG 109 Cb -0.11 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 3kxf s ARG 109 CO -0.12 -0.43 0.15 -1.17 -0.81 0.00 0.00 175.30 172.92 3kxf s LEU 110 N 2.55 4.00 -0.26 -0.88 2.96 0.93 0.26 118.68 128.24 3kxf s LEU 110 Ca 0.28 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3kxf s LEU 110 Cb -0.15 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.53 3kxf s LEU 110 CO 0.08 -0.14 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.87 3kxf s GLN 111 N 1.66 2.95 -0.28 1.98 -0.21 0.87 -1.66 119.66 124.97 3kxf s GLN 111 Ca 0.06 -0.92 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 3kxf s GLN 111 Cb -0.16 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3kxf s GLN 111 CO 0.07 -0.40 0.09 0.08 -2.12 0.00 0.00 175.29 173.01 3kxf s VAL 112 N 1.39 4.28 0.15 1.09 1.01 -1.26 -2.30 120.40 124.76 3kxf s VAL 112 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3kxf s VAL 112 Cb -0.17 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3kxf s VAL 112 CO -0.02 0.19 0.31 -0.36 0.00 0.00 0.00 175.10 175.23 3kxf s PHE 113 N 1.58 3.49 0.43 5.22 0.40 0.15 -4.48 117.98 124.77 3kxf s PHE 113 Ca 0.05 0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 56.43 3kxf s PHE 113 Cb -0.16 -1.75 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 3kxf s PHE 113 CO 0.04 0.48 0.89 -1.25 0.70 0.00 0.00 175.22 176.08 3kxf s PRO 114 N -3.14 4.03 -0.90 0.24 0.04 -1.26 -0.99 135.00 133.02 3kxf s PRO 114 Ca 0.36 0.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 3kxf s PRO 114 Cb -0.11 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.26 3kxf s PRO 114 CO 0.28 -0.07 1.23 1.21 0.04 0.00 0.00 177.00 179.70 3kxf s ASN 115 N -2.62 6.45 -0.48 6.66 3.84 -1.26 -4.44 114.94 123.09 3kxf s ASN 115 Ca 0.58 -1.48 -0.28 0.00 0.21 0.00 0.00 52.86 51.89 3kxf s ASN 115 Cb -0.10 -2.48 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 3kxf s ASN 115 CO 0.22 -1.37 1.67 -0.63 -2.79 0.00 0.00 177.10 174.20 3kxf s ILE 116 N 4.07 3.58 0.02 -5.21 -1.09 -1.26 -4.87 121.20 116.44 3kxf s ILE 116 Ca 0.36 0.51 -0.21 0.00 -2.23 0.00 0.00 60.65 59.07 3kxf s ILE 116 Cb -0.05 -4.00 -0.17 0.00 -1.58 0.00 0.00 42.46 36.66 3kxf s ILE 116 CO -0.04 -0.79 1.28 -0.61 -1.23 0.00 0.00 174.94 173.56 3kxf h GLN 117 N 12.75 0.29 -2.88 2.79 5.75 -1.93 -3.39 115.11 128.48 3kxf h GLN 117 Ca -0.29 -0.18 -0.64 0.00 -0.15 0.00 0.00 58.65 57.40 3kxf h GLN 117 Cb 1.14 0.02 -0.40 0.00 1.07 0.00 0.00 27.48 29.30 3kxf h GLN 117 CO 1.13 0.75 -0.43 0.09 -2.65 0.00 0.00 178.83 177.72 3kxf n ASN 118 N -4.57 3.59 -4.71 -0.69 3.02 -1.26 -5.09 115.26 105.56 3kxf n ASN 118 Ca -0.07 -3.27 -0.42 0.00 -0.03 0.00 0.00 54.58 50.79 3kxf n ASN 118 Cb 0.38 -0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 3kxf n ASN 118 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3kxf s PRO 119 N -1.79 4.18 -0.44 3.52 0.02 -1.26 -4.96 135.00 134.27 3kxf s PRO 119 Ca 0.30 2.44 0.09 0.00 0.02 0.00 0.00 61.00 63.85 3kxf s PRO 119 Cb 0.01 -3.34 0.33 0.00 0.02 0.00 0.00 34.50 31.51 3kxf s PRO 119 CO -0.11 -0.71 0.76 -3.47 -0.33 0.00 0.00 177.00 173.14 3kxf n ASP 120 N 4.73 1.83 -4.73 2.53 -0.08 0.13 -5.00 116.55 115.96 3kxf n ASP 120 Ca 0.15 -3.17 -0.42 0.00 -1.51 0.00 0.00 54.79 49.85 3kxf n ASP 120 Cb 0.38 -0.61 -0.02 0.00 2.34 0.00 0.00 41.12 43.21 3kxf n ASP 120 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3kxf s PRO 121 N -2.54 4.12 0.05 -0.67 0.04 -1.16 -4.45 135.00 130.39 3kxf s PRO 121 Ca 0.42 2.59 -0.20 0.00 0.04 0.00 0.00 61.00 63.84 3kxf s PRO 121 Cb 0.30 -3.06 0.05 0.00 0.04 0.00 0.00 34.50 31.83 3kxf s PRO 121 CO -0.09 -0.70 0.47 0.00 0.04 0.00 0.00 177.00 176.72 3kxf s ALA 122 N 0.69 -1.19 -0.27 8.56 0.00 -0.75 -0.72 121.76 128.09 3kxf s ALA 122 Ca 0.70 0.45 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3kxf s ALA 122 Cb -0.49 0.40 0.06 0.00 0.00 0.00 0.00 23.12 23.09 3kxf s ALA 122 CO 0.38 -0.50 -0.09 0.08 0.00 0.00 0.00 175.76 175.63 3kxf s VAL 123 N -2.58 2.30 0.09 0.00 1.01 0.55 -1.30 120.40 120.47 3kxf s VAL 123 Ca -0.05 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.38 3kxf s VAL 123 Cb -0.01 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kxf s VAL 123 CO -0.03 -0.04 0.05 -0.31 0.00 0.00 0.00 175.10 174.77 3kxf s TYR 124 N 1.13 3.09 -0.30 5.22 2.02 0.18 -4.27 117.35 124.42 3kxf s TYR 124 Ca -0.08 0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 56.55 3kxf s TYR 124 Cb -0.20 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3kxf s TYR 124 CO -0.04 0.50 0.13 -1.14 -1.57 0.00 0.00 175.55 173.43 3kxf s GLN 125 N -2.43 3.38 -0.38 -0.62 0.74 -1.26 0.12 119.66 119.21 3kxf s GLN 125 Ca 0.28 -0.68 -0.13 0.00 0.05 0.00 0.00 55.36 54.88 3kxf s GLN 125 Cb -0.12 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.51 3kxf s GLN 125 CO 0.21 -0.37 0.25 -0.51 -0.55 0.00 0.00 175.29 174.31 3kxf s LEU 126 N 1.60 4.80 1.09 3.68 1.02 0.61 -5.00 118.68 126.49 3kxf s LEU 126 Ca 0.05 -0.84 -0.12 0.00 0.02 0.00 0.00 54.13 53.23 3kxf s LEU 126 Cb -0.17 -2.09 0.24 0.00 0.02 0.00 0.00 46.19 44.19 3kxf s LEU 126 CO 0.05 -0.38 1.06 -0.60 0.02 0.00 0.00 176.35 176.50 3kxf s ARG 127 N 1.63 -0.34 0.39 1.70 3.52 -1.26 -2.70 118.95 121.89 3kxf s ARG 127 Ca 0.04 0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 56.51 3kxf s ARG 127 Cb -0.19 -1.62 0.08 0.00 -1.56 0.00 0.00 34.95 31.67 3kxf s ARG 127 CO 0.08 -3.35 0.53 -0.25 -0.81 0.00 0.00 175.30 171.50 3kxf n ASP 128 N -4.66 0.34 -3.49 -2.12 10.43 -1.26 -4.89 116.55 110.90 3kxf n ASP 128 Ca 0.05 -1.37 -0.18 0.00 2.57 0.00 0.00 54.79 55.85 3kxf n ASP 128 Cb 0.54 -0.38 0.07 0.00 1.84 0.00 0.00 41.12 43.20 3kxf n ASP 128 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3kxf n SER 129 N -3.17 -2.30 -0.36 -2.24 7.64 -1.26 -5.08 113.62 106.86 3kxf n SER 129 Ca 0.08 -0.69 0.02 0.00 1.01 0.00 0.00 58.87 59.29 3kxf n SER 129 Cb 0.27 -4.82 0.08 0.00 -1.01 0.00 0.00 64.21 58.73 3kxf n SER 129 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3kxf n LYS 130 N -4.08 -0.17 -1.41 1.43 3.00 -1.26 -4.27 118.16 111.41 3kxf n LYS 130 Ca -0.27 1.50 -0.10 0.00 -0.00 0.00 0.00 58.31 59.44 3kxf n LYS 130 Cb 0.67 -2.24 -0.09 0.00 0.00 0.00 0.00 35.03 33.37 3kxf n LYS 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3kxf n SER 131 N -5.50 0.22 -3.18 3.14 7.64 -1.26 -4.70 113.62 109.98 3kxf n SER 131 Ca 0.12 -1.90 -0.05 0.00 1.01 0.00 0.00 58.87 58.05 3kxf n SER 131 Cb 0.43 -1.31 0.02 0.00 -1.01 0.00 0.00 64.21 62.34 3kxf n SER 131 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kxf s SER 132 N 5.79 0.01 -0.12 6.43 0.01 -1.26 -5.07 113.70 119.48 3kxf s SER 132 Ca 0.64 -0.87 -0.18 0.00 1.31 0.00 0.00 55.95 56.86 3kxf s SER 132 Cb -0.11 0.64 -0.16 0.00 0.21 0.00 0.00 66.02 66.61 3kxf s SER 132 CO 0.15 -1.27 0.50 0.44 0.41 0.00 0.00 173.24 173.47 3kxf h ASP 133 N 2.00 -0.02 0.00 2.44 3.45 -1.90 -3.49 116.42 118.90 3kxf h ASP 133 Ca -0.29 -0.58 0.00 0.00 0.43 0.00 0.00 57.03 56.59 3kxf h ASP 133 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3kxf h ASP 133 CO 0.38 0.76 0.00 1.17 -1.57 0.00 0.00 179.24 179.98 3kxf n LYS 134 N -4.70 0.00 -0.77 3.56 4.81 -1.26 -5.10 118.16 114.71 3kxf n LYS 134 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3kxf n LYS 134 Cb 0.28 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.33 3kxf n LYS 134 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kxf n SER 135 N 0.00 0.00 -4.18 3.14 2.88 -1.26 -4.78 113.62 109.42 3kxf n SER 135 Ca 0.00 -0.46 -0.29 0.00 -1.33 0.00 0.00 58.87 56.79 3kxf n SER 135 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 3kxf n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kxf s VAL 136 N -1.97 1.71 -0.14 2.46 1.01 -1.10 -4.28 120.40 118.09 3kxf s VAL 136 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3kxf s VAL 136 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3kxf s VAL 136 CO 0.00 0.48 0.25 0.00 0.00 0.00 0.00 175.10 175.83 3kxf s LEU 138 N -0.08 2.42 -0.30 0.00 2.96 0.12 -1.30 118.68 122.49 3kxf s LEU 138 Ca 0.16 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3kxf s LEU 138 Cb -0.13 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.01 3kxf s LEU 138 CO 0.04 0.01 0.08 0.12 -1.32 0.00 0.00 176.35 175.28 3kxf s PHE 139 N 1.23 3.16 0.24 5.38 5.36 0.18 0.47 117.98 134.01 3kxf s PHE 139 Ca 0.03 -1.07 -0.00 0.00 -0.96 0.00 0.00 56.93 54.93 3kxf s PHE 139 Cb -0.14 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 3kxf s PHE 139 CO -0.07 -0.61 0.21 -0.08 -1.46 0.00 0.00 175.22 173.21 3kxf s THR 140 N 1.48 0.00 -0.73 0.12 -1.32 -0.42 0.31 115.64 115.08 3kxf s THR 140 Ca 0.02 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.57 3kxf s THR 140 Cb -0.18 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 3kxf s THR 140 CO 0.02 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.90 3kxf n ASP 141 N -0.65 -5.59 -4.87 8.08 8.00 -0.74 -1.81 116.55 118.97 3kxf n ASP 141 Ca 0.03 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.41 3kxf n ASP 141 Cb 0.65 -3.82 0.09 0.00 -0.02 0.00 0.00 41.12 38.01 3kxf n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3kxf s PHE 142 N -1.56 2.90 0.46 1.24 -0.12 -1.26 0.20 117.98 119.84 3kxf s PHE 142 Ca 0.00 0.83 -0.04 0.00 -0.05 0.00 0.00 56.93 57.68 3kxf s PHE 142 Cb 0.00 -3.40 -0.03 0.00 -0.63 0.00 0.00 43.02 38.96 3kxf s PHE 142 CO 0.00 -1.83 0.73 0.16 -0.05 0.00 0.00 175.22 174.23 3kxf s ASP 143 N -4.40 6.19 0.00 1.98 -4.77 -1.26 -4.33 116.67 110.09 3kxf s ASP 143 Ca 0.62 0.76 0.03 0.00 -3.30 0.00 0.00 52.55 50.66 3kxf s ASP 143 Cb -0.12 -2.11 0.16 0.00 -1.09 0.00 0.00 42.92 39.76 3kxf s ASP 143 CO 0.51 -0.56 0.88 -1.20 0.70 0.00 0.00 175.17 175.50 3kxf n SER 144 N -2.16 0.00 0.21 2.11 7.64 -1.26 -2.34 113.62 117.82 3kxf n SER 144 Ca -0.00 0.19 0.14 0.00 1.01 0.00 0.00 58.87 60.21 3kxf n SER 144 Cb 0.56 -0.24 0.46 0.00 -1.01 0.00 0.00 64.21 63.98 3kxf n SER 144 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3kxf h GLN 145 N 0.00 0.00 -6.75 1.43 1.08 -1.94 -3.46 115.11 105.48 3kxf h GLN 145 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 3kxf h GLN 145 Cb 0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3kxf h GLN 145 CO 0.00 0.00 0.22 0.99 -0.95 0.00 0.00 178.83 179.09 3kxf s THR 146 N -3.39 4.42 -0.02 -0.54 2.01 -0.99 -5.09 115.64 112.04 3kxf s THR 146 Ca 0.05 1.49 0.08 0.00 0.31 0.00 0.00 61.69 63.62 3kxf s THR 146 Cb 0.08 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 3kxf s THR 146 CO 0.56 0.11 -0.26 0.20 -0.69 0.00 0.00 174.62 174.54 3kxf s ASN 147 N -1.73 3.06 -0.14 3.53 0.01 -1.26 -5.02 114.94 113.40 3kxf s ASN 147 Ca 0.48 -0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 52.07 3kxf s ASN 147 Cb -0.16 -0.40 -0.05 0.00 0.41 0.00 0.00 41.25 41.05 3kxf s ASN 147 CO 0.21 0.31 0.18 -0.69 -1.51 0.00 0.00 177.10 175.60 3kxf s VAL 148 N -0.56 5.42 -0.05 1.60 1.01 -1.26 -4.35 120.40 122.21 3kxf s VAL 148 Ca 0.09 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.41 3kxf s VAL 148 Cb -0.10 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3kxf s VAL 148 CO -0.00 0.54 -0.19 -0.44 0.00 0.00 0.00 175.10 175.01 3kxf s SER 149 N -0.48 3.64 -0.22 3.32 0.01 -1.26 -4.92 113.70 113.80 3kxf s SER 149 Ca 0.14 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 3kxf s SER 149 Cb -0.12 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 3kxf s SER 149 CO 0.03 0.31 1.73 -1.10 0.41 0.00 0.00 173.24 174.62 3kxf s GLN 150 N -0.53 3.69 0.63 12.44 -1.52 -1.26 -4.73 119.66 128.39 3kxf s GLN 150 Ca 0.07 1.74 -0.16 0.00 -1.95 0.00 0.00 55.36 55.06 3kxf s GLN 150 Cb -0.11 -4.10 -0.01 0.00 -0.22 0.00 0.00 33.01 28.56 3kxf s GLN 150 CO 0.01 -1.43 1.13 -1.54 -0.25 0.00 0.00 175.29 173.21 3kxf s SER 151 N 4.91 5.21 0.41 5.90 1.04 -1.26 -4.93 113.70 124.98 3kxf s SER 151 Ca 0.77 2.09 0.15 0.00 0.48 0.00 0.00 55.95 59.44 3kxf s SER 151 Cb -0.27 -2.56 1.01 0.00 0.10 0.00 0.00 66.02 64.30 3kxf s SER 151 CO 0.31 -1.56 1.90 0.11 0.98 0.00 0.00 173.24 174.98 3kxf h LYS 152 N 0.36 0.45 -6.81 4.02 1.79 -1.93 -3.44 116.57 111.00 3kxf h LYS 152 Ca -0.48 -0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.44 3kxf h LYS 152 Cb 1.26 -0.10 0.07 0.00 -1.58 0.00 0.00 32.23 31.87 3kxf h LYS 152 CO 0.55 0.30 0.75 0.34 -1.08 0.00 0.00 179.45 180.30 3kxf s ASP 153 N -5.85 6.61 0.21 0.86 -1.08 -1.26 -4.94 116.67 111.22 3kxf s ASP 153 Ca -0.08 2.76 -0.05 0.00 -0.52 0.00 0.00 52.55 54.65 3kxf s ASP 153 Cb 0.22 -2.64 0.17 0.00 -1.46 0.00 0.00 42.92 39.21 3kxf s ASP 153 CO 0.77 -0.71 1.64 -1.28 0.52 0.00 0.00 175.17 176.12 3kxf h SER 154 N 4.31 0.85 -0.62 -0.34 0.87 -2.03 -3.08 113.55 113.51 3kxf h SER 154 Ca -0.48 -0.28 -0.36 0.00 -1.23 0.00 0.00 61.79 59.44 3kxf h SER 154 Cb 1.22 -0.23 -0.21 0.00 -0.44 0.00 0.00 62.40 62.74 3kxf h SER 154 CO 0.73 1.01 0.10 0.47 -0.53 0.00 0.00 176.83 178.60 3kxf n ASP 155 N -4.14 3.71 -4.10 6.23 8.00 -1.26 -4.85 116.55 120.15 3kxf n ASP 155 Ca 0.01 -3.76 -0.33 0.00 0.71 0.00 0.00 54.79 51.43 3kxf n ASP 155 Cb 0.41 -0.69 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 3kxf n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kxf s VAL 156 N -3.64 2.21 -0.16 2.53 1.01 -1.17 -4.19 120.40 116.99 3kxf s VAL 156 Ca 0.51 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 3kxf s VAL 156 Cb 0.44 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kxf s VAL 156 CO 0.02 0.17 0.05 -0.31 0.00 0.00 0.00 175.10 175.03 3kxf s TYR 157 N 1.18 3.24 -0.15 5.22 2.02 -0.72 -4.67 117.35 123.48 3kxf s TYR 157 Ca -0.04 0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 3kxf s TYR 157 Cb -0.17 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 3kxf s TYR 157 CO -0.07 0.21 -0.03 0.42 -1.57 0.00 0.00 175.55 174.51 3kxf s ILE 158 N 0.12 0.82 0.74 2.71 1.01 -1.26 -1.85 121.20 123.49 3kxf s ILE 158 Ca 0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3kxf s ILE 158 Cb -0.12 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.34 3kxf s ILE 158 CO 0.01 0.11 1.12 0.42 0.00 0.00 0.00 174.94 176.60 3kxf s THR 159 N 1.76 2.86 0.94 2.92 -4.23 -0.43 -4.72 115.64 114.74 3kxf s THR 159 Ca 0.02 0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 3kxf s THR 159 Cb -0.15 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.63 3kxf s THR 159 CO -0.07 -0.35 1.29 -0.62 -0.54 0.00 0.00 174.62 174.32 3kxf s ASP 160 N -4.45 3.12 0.61 3.99 3.68 -1.26 -4.41 116.67 117.95 3kxf s ASP 160 Ca 0.60 0.06 -0.16 0.00 2.13 0.00 0.00 52.55 55.18 3kxf s ASP 160 Cb -0.11 -0.09 -0.03 0.00 -1.45 0.00 0.00 42.92 41.25 3kxf s ASP 160 CO 0.50 -2.71 1.08 -1.59 0.13 0.00 0.00 175.17 172.58 3kxf s LYS 161 N -5.80 3.17 -0.04 4.34 -2.85 -1.26 -4.50 119.74 112.80 3kxf s LYS 161 Ca 0.75 1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 56.95 3kxf s LYS 161 Cb -0.03 -2.01 0.01 0.00 -2.06 0.00 0.00 37.83 33.75 3kxf s LYS 161 CO 0.52 -0.94 0.16 0.00 0.10 0.00 0.00 175.35 175.19 3kxf s VAL 163 N -0.53 3.97 0.45 0.00 1.01 -1.26 -2.16 120.40 121.88 3kxf s VAL 163 Ca -0.06 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 3kxf s VAL 163 Cb -0.04 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3kxf s VAL 163 CO 0.01 -0.09 0.87 -0.22 0.00 0.00 0.00 175.10 175.67 3kxf s LEU 164 N 1.46 3.77 -0.33 3.92 1.98 -0.02 -4.95 118.68 124.51 3kxf s LEU 164 Ca 0.00 1.38 0.02 0.00 -2.89 0.00 0.00 54.13 52.64 3kxf s LEU 164 Cb -0.19 -4.28 0.15 0.00 0.66 0.00 0.00 46.19 42.53 3kxf s LEU 164 CO 0.03 -0.46 0.34 -0.62 -1.89 0.00 0.00 176.35 173.75 3kxf s ASP 165 N -2.94 1.41 -1.11 3.68 2.15 -1.26 -3.04 116.67 115.56 3kxf s ASP 165 Ca 0.56 -1.23 -0.21 0.00 0.43 0.00 0.00 52.55 52.09 3kxf s ASP 165 Cb -0.10 0.52 0.05 0.00 -0.30 0.00 0.00 42.92 43.09 3kxf s ASP 165 CO 0.28 -0.32 1.58 -0.04 -0.17 0.00 0.00 175.17 176.50 3kxf s MET 166 N 1.83 3.65 0.29 4.34 -1.94 0.37 -4.84 119.30 123.01 3kxf s MET 166 Ca 0.14 -1.37 0.01 0.00 -1.71 0.00 0.00 55.69 52.76 3kxf s MET 166 Cb -0.15 -5.40 0.55 0.00 2.01 0.00 0.00 34.83 31.84 3kxf s MET 166 CO -0.16 -2.32 1.86 -0.09 -0.01 0.00 0.00 175.02 174.30 3kxf h ARG 167 N 9.14 0.97 -0.98 2.03 2.43 -1.97 -1.20 114.38 124.80 3kxf h ARG 167 Ca 0.28 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 3kxf h ARG 167 Cb 0.96 -0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.22 3kxf h ARG 167 CO 1.42 0.64 0.62 0.77 -1.51 0.00 0.00 179.97 181.92 3kxf h SER 168 N 1.00 0.95 -0.52 -3.80 0.02 -1.96 -2.44 113.55 106.80 3kxf h SER 168 Ca 0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3kxf h SER 168 Cb 0.40 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3kxf h SER 168 CO -0.22 0.56 0.00 0.23 -1.14 0.00 0.00 176.83 176.26 3kxf n MET 169 N -4.58 2.52 -4.18 3.45 2.81 -0.53 -4.97 117.12 111.64 3kxf n MET 169 Ca 0.17 -2.33 -0.39 0.00 -1.81 0.00 0.00 57.70 53.34 3kxf n MET 169 Cb 0.27 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.22 3kxf n MET 169 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kxf n ASP 170 N 1.46 -1.62 -3.91 7.83 9.92 -0.75 -4.95 116.55 124.52 3kxf n ASP 170 Ca 0.21 -1.27 -0.21 0.00 -0.53 0.00 0.00 54.79 52.99 3kxf n ASP 170 Cb 0.58 -1.55 -0.16 0.00 -0.64 0.00 0.00 41.12 39.35 3kxf n ASP 170 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3kxf s PHE 171 N -3.95 0.88 0.01 1.24 5.36 -1.04 -5.03 117.98 115.45 3kxf s PHE 171 Ca 0.25 -0.27 0.08 0.00 -0.96 0.00 0.00 56.93 56.04 3kxf s PHE 171 Cb -0.14 -0.74 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 3kxf s PHE 171 CO 0.97 -0.21 -0.25 0.15 -1.46 0.00 0.00 175.22 174.41 3kxf s LYS 172 N 0.90 1.91 -0.06 10.12 1.02 -1.26 -0.48 119.74 131.89 3kxf s LYS 172 Ca -0.11 -0.98 -0.05 0.00 0.02 0.00 0.00 55.97 54.85 3kxf s LYS 172 Cb -0.15 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 3kxf s LYS 172 CO 0.01 0.52 0.15 -1.54 -0.92 0.00 0.00 175.35 173.57 3kxf s SER 173 N -0.86 -0.15 0.47 2.83 1.04 -1.17 -4.91 113.70 110.95 3kxf s SER 173 Ca 0.10 0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 3kxf s SER 173 Cb -0.10 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 3kxf s SER 173 CO 0.00 -0.07 0.87 0.20 0.98 0.00 0.00 173.24 175.22 3kxf s ASN 174 N 0.28 6.48 0.19 7.02 0.01 -1.26 -0.84 114.94 126.81 3kxf s ASN 174 Ca -0.02 1.27 -0.17 0.00 -0.71 0.00 0.00 52.86 53.24 3kxf s ASN 174 Cb -0.03 -2.39 0.02 0.00 0.41 0.00 0.00 41.25 39.27 3kxf s ASN 174 CO -0.01 -0.54 0.50 -0.94 -1.51 0.00 0.00 177.10 174.61 3kxf s SER 175 N -3.38 -0.24 -0.05 -1.22 1.04 -0.92 -1.80 113.70 107.14 3kxf s SER 175 Ca 0.53 -0.51 -0.18 0.00 0.48 0.00 0.00 55.95 56.28 3kxf s SER 175 Cb -0.10 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.62 3kxf s SER 175 CO 0.36 -1.04 0.40 0.00 0.98 0.00 0.00 173.24 173.94 3kxf s ALA 176 N -3.88 -1.03 -0.09 5.32 0.00 0.15 -1.58 121.76 120.66 3kxf s ALA 176 Ca 0.10 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3kxf s ALA 176 Cb -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3kxf s ALA 176 CO -0.03 -0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.39 3kxf s VAL 177 N -0.98 1.43 -0.01 0.00 1.01 -1.26 -0.64 120.40 119.94 3kxf s VAL 177 Ca -0.10 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3kxf s VAL 177 Cb -0.04 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3kxf s VAL 177 CO 0.05 0.42 -0.19 0.00 0.00 0.00 0.00 175.10 175.38 3kxf s ALA 178 N 0.74 1.55 0.14 5.51 0.00 -0.42 -1.31 121.76 127.96 3kxf s ALA 178 Ca -0.12 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 3kxf s ALA 178 Cb -0.16 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3kxf s ALA 178 CO 0.03 0.38 0.37 1.67 0.00 0.00 0.00 175.76 178.20 3kxf s TRP 179 N -0.46 -0.04 -0.20 0.00 -2.14 -0.77 0.07 118.94 115.40 3kxf s TRP 179 Ca 0.07 -0.31 -0.28 0.00 2.66 0.00 0.00 56.10 58.24 3kxf s TRP 179 Cb -0.07 0.18 0.12 0.00 -3.10 0.00 0.00 33.47 30.59 3kxf s TRP 179 CO -0.01 -0.72 0.96 0.45 -2.66 0.00 0.00 176.95 174.97 3kxf s SER 180 N -2.85 -0.45 0.20 -2.66 0.15 -1.26 -1.75 113.70 105.08 3kxf s SER 180 Ca 0.06 0.66 0.15 0.00 0.70 0.00 0.00 55.95 57.52 3kxf s SER 180 Cb 0.02 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 3kxf s SER 180 CO -0.08 -0.30 1.26 -0.55 1.20 0.00 0.00 173.24 174.76 3kxf h ASN 181 N 3.32 0.00 -1.29 5.45 7.08 -1.93 -3.42 115.58 124.78 3kxf h ASN 181 Ca -0.23 0.00 -0.67 0.00 -3.08 0.00 0.00 56.30 52.32 3kxf h ASN 181 Cb 1.16 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.39 3kxf h ASN 181 CO 0.23 0.58 1.33 0.29 -2.08 0.00 0.00 177.43 177.79 3kxf n LYS 182 N -3.15 1.26 -0.33 4.14 4.76 -1.26 -4.71 118.16 118.87 3kxf n LYS 182 Ca -0.01 0.38 0.02 0.00 -2.87 0.00 0.00 58.31 55.82 3kxf n LYS 182 Cb 0.79 -2.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.56 3kxf n LYS 182 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3kxf n SER 183 N 9.12 -0.45 -0.27 4.39 7.64 -1.26 -0.83 113.62 131.96 3kxf n SER 183 Ca 0.37 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.76 3kxf n SER 183 Cb 0.24 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3kxf n SER 183 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kxf n ASP 184 N -5.35 0.28 -4.70 6.43 5.75 -1.26 -4.80 116.55 112.91 3kxf n ASP 184 Ca 0.11 -1.05 -0.42 0.00 -0.01 0.00 0.00 54.79 53.41 3kxf n ASP 184 Cb 0.39 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 3kxf n ASP 184 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kxf s PHE 185 N -1.46 3.03 -0.02 2.11 5.99 -0.01 -5.03 117.98 122.60 3kxf s PHE 185 Ca 0.00 0.93 0.03 0.00 0.00 0.00 0.00 56.93 57.89 3kxf s PHE 185 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 43.02 39.39 3kxf s PHE 185 CO 0.00 -2.21 -0.11 0.00 -0.00 0.00 0.00 175.22 172.89 3kxf s ALA 186 N 1.96 0.97 0.33 11.12 0.00 -1.26 -5.04 121.76 129.84 3kxf s ALA 186 Ca 0.63 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.20 3kxf s ALA 186 Cb -0.32 -0.28 0.78 0.00 0.00 0.00 0.00 23.12 23.30 3kxf s ALA 186 CO 0.27 0.21 1.82 0.00 0.00 0.00 0.00 175.76 178.07 3kxf h ALA 188 N 1.61 1.65 -0.00 0.00 0.00 -1.96 -2.33 119.26 118.22 3kxf h ALA 188 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3kxf h ALA 188 Cb 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kxf h ALA 188 CO -0.28 0.22 -0.55 0.27 0.00 0.00 0.00 179.25 178.91 3kxf n ASN 189 N -4.49 0.80 -0.26 0.00 2.04 -0.67 -4.44 115.26 108.24 3kxf n ASN 189 Ca 0.12 -0.60 0.01 0.00 -0.44 0.00 0.00 54.58 53.67 3kxf n ASN 189 Cb 0.23 0.39 0.13 0.00 -2.53 0.00 0.00 39.78 38.00 3kxf n ASN 189 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3kxf h ALA 190 N 3.19 1.04 -2.06 -2.53 0.00 -0.89 -3.17 119.26 114.83 3kxf h ALA 190 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.32 3kxf h ALA 190 Cb 0.52 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.79 3kxf h ALA 190 CO 0.00 0.06 -0.40 1.19 0.00 0.00 0.00 179.25 180.11 3kxf n PHE 191 N -4.77 3.82 -0.05 0.00 3.01 -1.26 -4.61 117.46 113.59 3kxf n PHE 191 Ca 0.11 -3.70 -0.04 0.00 1.01 0.00 0.00 57.45 54.83 3kxf n PHE 191 Cb 0.23 -0.56 -0.15 0.00 -0.01 0.00 0.00 39.48 39.00 3kxf n PHE 191 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3kxf n ASN 192 N -0.25 0.22 -0.05 4.37 4.13 -1.20 -4.16 115.26 118.32 3kxf n ASN 192 Ca 0.34 0.10 0.11 0.00 1.68 0.00 0.00 54.58 56.81 3kxf n ASN 192 Cb 0.39 0.98 0.60 0.00 -1.54 0.00 0.00 39.78 40.21 3kxf n ASN 192 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3kxf n ASN 193 N -2.69 0.16 -4.78 6.41 4.05 -1.26 -4.79 115.26 112.35 3kxf n ASN 193 Ca -0.22 -1.38 -0.27 0.00 0.45 0.00 0.00 54.58 53.16 3kxf n ASN 193 Cb 0.97 -0.01 -0.06 0.00 1.23 0.00 0.00 39.78 41.92 3kxf n ASN 193 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 3kxf s SER 194 N -1.65 4.37 -0.37 1.20 0.01 -1.26 -4.60 113.70 111.40 3kxf s SER 194 Ca 0.32 -1.29 -0.10 0.00 1.31 0.00 0.00 55.95 56.18 3kxf s SER 194 Cb 0.15 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.43 3kxf s SER 194 CO 0.25 -0.77 0.20 -0.63 0.41 0.00 0.00 173.24 172.70 3kxf s ILE 195 N -2.72 4.44 0.10 1.44 1.01 -1.26 -5.05 121.20 119.15 3kxf s ILE 195 Ca 0.30 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 60.09 3kxf s ILE 195 Cb 0.02 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3kxf s ILE 195 CO 0.17 -0.25 -0.17 0.27 0.00 0.00 0.00 174.94 174.96 3kxf s ILE 196 N 1.52 2.93 0.57 2.92 -4.36 -1.26 -4.64 121.20 118.89 3kxf s ILE 196 Ca 0.01 -1.39 -0.18 0.00 -0.26 0.00 0.00 60.65 58.84 3kxf s ILE 196 Cb -0.20 -2.33 -0.08 0.00 1.25 0.00 0.00 42.46 41.11 3kxf s ILE 196 CO 0.06 0.16 0.64 -2.65 0.24 0.00 0.00 174.94 173.39 3kxf n PRO 197 N 0.95 0.61 0.14 0.37 -0.02 -1.26 -4.88 135.00 130.92 3kxf n PRO 197 Ca -0.15 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3kxf n PRO 197 Cb 0.52 -1.82 0.47 0.00 -0.02 0.00 0.00 33.50 32.66 3kxf n PRO 197 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kxf h GLU 198 N 0.32 0.00 -0.02 -0.52 5.08 -2.01 -2.81 114.58 114.62 3kxf h GLU 198 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3kxf h GLU 198 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3kxf h GLU 198 CO 0.48 0.00 -0.32 -0.40 -1.00 0.00 0.00 179.01 177.77 3kxf n ASP 199 N -2.36 2.24 -4.65 1.42 5.75 -1.26 -5.01 116.55 112.68 3kxf n ASP 199 Ca 0.03 -1.62 -0.52 0.00 -0.01 0.00 0.00 54.79 52.67 3kxf n ASP 199 Cb 0.31 0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 40.65 3kxf n ASP 199 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3kxf n THR 200 N 0.33 0.16 -2.45 2.12 -1.04 -1.06 -4.88 114.28 107.45 3kxf n THR 200 Ca 0.11 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.66 3kxf n THR 200 Cb 0.50 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.82 3kxf n THR 200 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3kxf s PHE 201 N 1.86 2.90 -0.53 -1.42 5.36 0.10 -4.91 117.98 121.34 3kxf s PHE 201 Ca 0.89 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.93 3kxf s PHE 201 Cb -0.92 -3.48 0.14 0.00 -0.34 0.00 0.00 43.02 38.41 3kxf s PHE 201 CO 0.52 -1.57 0.29 -0.06 -1.46 0.00 0.00 175.22 172.93 3kxf s PHE 202 N 3.48 3.32 0.42 10.12 0.40 -1.26 -0.33 117.98 134.12 3kxf s PHE 202 Ca 0.54 -3.01 -0.26 0.00 -0.60 0.00 0.00 56.93 53.60 3kxf s PHE 202 Cb -0.21 -2.95 -0.10 0.00 0.51 0.00 0.00 43.02 40.28 3kxf s PHE 202 CO 0.14 -0.80 1.34 -0.35 0.70 0.00 0.00 175.22 176.25 3kxf n PRO 203 N 3.37 2.09 0.00 0.24 -0.04 -1.26 -5.06 135.00 134.34 3kxf n PRO 203 Ca 0.05 0.74 0.09 0.00 -0.04 0.00 0.00 63.50 64.34 3kxf n PRO 203 Cb 0.35 -2.48 0.51 0.00 -0.04 0.00 0.00 33.50 31.84 3kxf n PRO 203 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91