#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 1.16 -0.09 2.61 2.20 -0.98 -5.00 119.74 119.64 3kxf s LYS 2 Ca 0.00 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 3kxf s LYS 2 Cb 0.00 -1.16 0.03 0.00 -1.51 0.00 0.00 37.83 35.19 3kxf s LYS 2 CO 0.00 0.31 -0.03 0.08 -0.36 0.00 0.00 175.35 175.35 3kxf s VAL 3 N -0.57 0.65 -0.13 4.02 1.01 -1.26 -0.03 120.40 124.09 3kxf s VAL 3 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3kxf s VAL 3 Cb -0.07 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3kxf s VAL 3 CO 0.00 0.30 -0.16 -0.89 0.00 0.00 0.00 175.10 174.36 3kxf s THR 4 N 1.86 2.78 -0.40 3.92 2.01 0.66 -4.36 115.64 122.11 3kxf s THR 4 Ca 0.05 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.33 3kxf s THR 4 Cb -0.12 -2.15 0.11 0.00 0.01 0.00 0.00 72.50 70.35 3kxf s THR 4 CO -0.06 0.53 0.12 -1.10 -0.69 0.00 0.00 174.62 173.41 3kxf s GLN 5 N 0.40 1.65 0.57 4.92 -0.21 -1.26 -1.42 119.66 124.31 3kxf s GLN 5 Ca -0.12 -2.11 0.32 0.00 0.02 0.00 0.00 55.36 53.47 3kxf s GLN 5 Cb -0.16 -3.25 1.76 0.00 1.00 0.00 0.00 33.01 32.35 3kxf s GLN 5 CO 0.06 -0.99 2.19 0.00 -2.12 0.00 0.00 175.29 174.42 3kxf h ALA 6 N 7.28 1.31 -2.55 6.09 0.00 -1.90 -3.43 119.26 126.05 3kxf h ALA 6 Ca -0.05 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 3kxf h ALA 6 Cb 0.98 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3kxf h ALA 6 CO 0.58 0.06 0.29 -0.65 0.00 0.00 0.00 179.25 179.52 3kxf s GLN 7 N -4.32 4.57 -0.01 0.00 -0.21 -1.26 -4.99 119.66 113.44 3kxf s GLN 7 Ca -0.04 1.28 -0.01 0.00 0.02 0.00 0.00 55.36 56.61 3kxf s GLN 7 Cb 0.14 -3.41 -0.00 0.00 1.00 0.00 0.00 33.01 30.73 3kxf s GLN 7 CO 0.54 0.11 -0.02 2.41 -2.12 0.00 0.00 175.29 176.21 3kxf n THR 8 N 3.32 0.10 -5.08 -0.19 -1.04 -1.26 -4.27 114.28 105.85 3kxf n THR 8 Ca 0.02 0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 62.20 3kxf n THR 8 Cb 0.50 -1.53 -0.16 0.00 -1.82 0.00 0.00 70.33 67.32 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 -1.12 2.19 -0.00 -2.82 8.01 -1.26 -0.93 118.70 122.76 3kxf s GLU 9 Ca -0.02 -0.78 0.02 0.00 0.01 0.00 0.00 54.97 54.20 3kxf s GLU 9 Cb 0.00 -1.89 -0.01 0.00 -4.31 0.00 0.00 34.13 27.93 3kxf s GLU 9 CO 0.03 0.33 -0.06 0.42 0.01 0.00 0.00 175.26 175.98 3kxf s ILE 10 N -0.11 0.51 -0.07 -1.63 1.01 0.42 -4.96 121.20 116.37 3kxf s ILE 10 Ca -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3kxf s ILE 10 Cb -0.12 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 3kxf s ILE 10 CO 0.03 0.13 -0.21 -0.44 0.00 0.00 0.00 174.94 174.45 3kxf s SER 11 N -0.19 3.43 0.02 3.58 0.01 -1.26 -1.02 113.70 118.27 3kxf s SER 11 Ca 0.02 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.81 3kxf s SER 11 Cb -0.03 -1.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.17 3kxf s SER 11 CO -0.00 0.24 0.07 0.68 0.41 0.00 0.00 173.24 174.65 3kxf s VAL 12 N -0.14 0.12 0.38 3.43 -7.23 -1.08 -5.01 120.40 110.87 3kxf s VAL 12 Ca -0.03 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 3kxf s VAL 12 Cb -0.14 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.11 3kxf s VAL 12 CO 0.04 -0.53 0.72 -0.69 -0.31 0.00 0.00 175.10 174.33 3kxf s VAL 13 N -2.02 4.86 0.22 1.32 1.01 -1.26 -1.41 120.40 123.12 3kxf s VAL 13 Ca -0.10 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 3kxf s VAL 13 Cb -0.05 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3kxf s VAL 13 CO -0.02 -0.50 0.06 -0.62 0.00 0.00 0.00 175.10 174.02 3kxf n GLU 14 N -1.29 0.00 0.00 2.72 1.02 0.45 -2.25 120.64 121.28 3kxf n GLU 14 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kxf n GLU 14 Cb 0.54 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 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 1.32 0.00 -4.78 1.62 8.00 0.15 -4.87 116.55 118.00 3kxf n ASP 15 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 3kxf n ASP 15 Cb 0.22 -0.54 0.12 0.00 -0.02 0.00 0.00 41.12 40.90 3kxf n ASP 15 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3kxf s GLU 16 N 0.00 1.44 0.07 -1.24 2.12 -0.96 -3.81 118.70 116.33 3kxf s GLU 16 Ca 0.00 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.84 3kxf s GLU 16 Cb 0.00 -1.86 -0.04 0.00 0.26 0.00 0.00 34.13 32.49 3kxf s GLU 16 CO 0.00 -2.03 0.11 -0.51 -0.54 0.00 0.00 175.26 172.29 3kxf s ASP 17 N -3.87 5.73 0.00 -1.70 1.01 -1.26 -1.75 116.67 114.83 3kxf s ASP 17 Ca 0.63 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.97 3kxf s ASP 17 Cb -0.15 -1.60 -0.01 0.00 1.01 0.00 0.00 42.92 42.17 3kxf s ASP 17 CO 0.54 0.17 -0.07 -0.69 0.21 0.00 0.00 175.17 175.34 3kxf s VAL 18 N -1.42 0.51 -0.23 -1.27 1.01 -0.81 -5.00 120.40 113.19 3kxf s VAL 18 Ca 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3kxf s VAL 18 Cb -0.12 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.86 3kxf s VAL 18 CO 0.23 0.07 -0.04 -0.89 0.00 0.00 0.00 175.10 174.48 3kxf s THR 19 N -0.32 1.42 -0.38 3.92 2.01 -1.26 -1.49 115.64 119.54 3kxf s THR 19 Ca 0.01 -1.18 -0.23 0.00 0.31 0.00 0.00 61.69 60.60 3kxf s THR 19 Cb -0.03 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.76 3kxf s THR 19 CO -0.00 -0.14 0.76 -0.76 -0.69 0.00 0.00 174.62 173.79 3kxf s LEU 20 N 1.44 4.17 0.40 4.42 1.43 0.40 -4.97 118.68 125.97 3kxf s LEU 20 Ca -0.04 0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3kxf s LEU 20 Cb -0.19 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 42.96 3kxf s LEU 20 CO -0.07 -0.74 0.96 -1.81 0.23 0.00 0.00 176.35 174.92 3kxf s ASP 21 N 1.89 7.01 -0.25 2.29 1.01 -1.26 -2.64 116.67 124.72 3kxf s ASP 21 Ca 0.30 1.78 -0.11 0.00 0.71 0.00 0.00 52.55 55.23 3kxf s ASP 21 Cb -0.13 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.34 3kxf s ASP 21 CO 0.18 -0.31 0.56 0.00 0.21 0.00 0.00 175.17 175.81 3kxf s VAL 23 N 2.23 1.50 0.32 0.00 1.01 -0.50 -1.10 120.40 123.86 3kxf s VAL 23 Ca -0.07 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.19 3kxf s VAL 23 Cb -0.10 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 3kxf s VAL 23 CO -0.17 0.42 -0.11 -0.72 0.00 0.00 0.00 175.10 174.52 3kxf s TYR 24 N -0.46 2.40 -0.12 5.22 -0.85 -0.77 -0.25 117.35 122.53 3kxf s TYR 24 Ca 0.07 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.16 3kxf s TYR 24 Cb -0.07 -1.28 0.04 0.00 0.38 0.00 0.00 41.96 41.03 3kxf s TYR 24 CO -0.01 0.61 0.04 -1.21 -1.52 0.00 0.00 175.55 173.46 3kxf s GLU 25 N -3.60 0.39 0.02 -3.49 2.02 0.95 -4.86 118.70 110.14 3kxf s GLU 25 Ca 0.32 -0.01 -0.02 0.00 0.02 0.00 0.00 54.97 55.28 3kxf s GLU 25 Cb -0.00 -1.34 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 3kxf s GLU 25 CO 0.17 -0.46 0.02 0.99 0.02 0.00 0.00 175.26 175.99 3kxf s THR 26 N 2.01 0.12 -0.82 3.63 2.01 -1.26 0.11 115.64 121.44 3kxf s THR 26 Ca 0.03 -0.99 0.24 0.00 0.31 0.00 0.00 61.69 61.28 3kxf s THR 26 Cb -0.14 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 3kxf s THR 26 CO -0.06 -0.54 1.27 -1.14 -0.69 0.00 0.00 174.62 173.45 3kxf n ARG 27 N 1.31 0.14 -2.04 4.92 3.00 -1.26 -4.97 116.66 117.77 3kxf n ARG 27 Ca -0.22 0.02 -0.32 0.00 -0.00 0.00 0.00 57.85 57.32 3kxf n ARG 27 Cb 0.56 -1.57 0.01 0.00 0.00 0.00 0.00 32.46 31.47 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 -3.51 5.82 -0.11 6.15 1.01 -1.26 -5.00 116.67 119.78 3kxf s ASP 28 Ca 0.08 1.78 0.09 0.00 0.71 0.00 0.00 52.55 55.21 3kxf s ASP 28 Cb 0.16 -2.53 -0.24 0.00 1.01 0.00 0.00 42.92 41.32 3kxf s ASP 28 CO 0.74 -1.14 0.40 0.35 0.21 0.00 0.00 175.17 175.73 3kxf n THR 29 N -2.08 1.59 -5.13 -1.27 -2.24 -1.26 -4.90 114.28 98.99 3kxf n THR 29 Ca 0.08 -0.76 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 3kxf n THR 29 Cb 0.53 -1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 67.51 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 -2.56 2.47 -0.07 4.28 2.01 -1.26 -4.90 115.64 115.62 3kxf s THR 30 Ca -0.12 -0.95 -0.32 0.00 0.31 0.00 0.00 61.69 60.61 3kxf s THR 30 Cb 0.07 -1.91 0.12 0.00 0.01 0.00 0.00 72.50 70.80 3kxf s THR 30 CO 0.79 0.58 1.24 -0.72 -0.69 0.00 0.00 174.62 175.83 3kxf s TYR 31 N -0.64 -0.08 0.09 4.92 -0.85 -1.26 -4.83 117.35 114.70 3kxf s TYR 31 Ca 0.10 -0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.66 3kxf s TYR 31 Cb -0.10 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3kxf s TYR 31 CO -0.00 -0.28 -0.09 1.52 -1.52 0.00 0.00 175.55 175.18 3kxf s TYR 32 N -2.47 0.94 -0.06 -3.49 -0.85 -0.88 0.23 117.35 110.78 3kxf s TYR 32 Ca 0.12 -0.71 0.06 0.00 -0.52 0.00 0.00 57.07 56.02 3kxf s TYR 32 Cb 0.03 -0.53 -0.01 0.00 0.38 0.00 0.00 41.96 41.82 3kxf s TYR 32 CO -0.04 -0.06 -0.23 -0.51 -1.52 0.00 0.00 175.55 173.19 3kxf s LEU 33 N -2.49 2.18 0.06 -3.49 1.43 0.21 -2.40 118.68 114.19 3kxf s LEU 33 Ca 0.05 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3kxf s LEU 33 Cb -0.02 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3kxf s LEU 33 CO -0.01 0.26 0.28 -0.36 0.23 0.00 0.00 176.35 176.75 3kxf s PHE 34 N -0.27 3.53 -0.08 0.29 0.08 0.15 -1.41 117.98 120.27 3kxf s PHE 34 Ca -0.00 0.48 0.01 0.00 0.12 0.00 0.00 56.93 57.54 3kxf s PHE 34 Cb -0.13 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 3kxf s PHE 34 CO 0.03 0.55 -0.11 -1.58 -0.10 0.00 0.00 175.22 174.01 3kxf s TRP 35 N -1.47 1.52 -0.00 0.36 0.52 -0.28 -1.51 118.94 118.08 3kxf s TRP 35 Ca 0.34 -0.64 0.04 0.00 0.02 0.00 0.00 56.10 55.86 3kxf s TRP 35 Cb -0.13 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 3kxf s TRP 35 CO 0.22 -0.36 -0.14 0.71 0.02 0.00 0.00 176.95 177.40 3kxf s TYR 36 N 0.97 1.23 -0.18 -1.98 1.51 0.25 -1.33 117.35 117.82 3kxf s TYR 36 Ca -0.09 -0.25 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 3kxf s TYR 36 Cb -0.15 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 3kxf s TYR 36 CO -0.00 -0.01 0.07 0.21 -1.11 0.00 0.00 175.55 174.71 3kxf s LYS 37 N -0.43 3.96 -0.44 -0.62 2.20 0.00 -0.07 119.74 124.34 3kxf s LYS 37 Ca 0.05 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 3kxf s LYS 37 Cb -0.06 -3.22 0.12 0.00 -1.51 0.00 0.00 37.83 33.16 3kxf s LYS 37 CO -0.00 0.31 0.19 -1.14 -0.36 0.00 0.00 175.35 174.35 3kxf s GLN 38 N 0.28 1.87 1.12 4.03 0.74 0.11 -0.60 119.66 127.22 3kxf s GLN 38 Ca 0.04 -2.16 -0.12 0.00 0.05 0.00 0.00 55.36 53.17 3kxf s GLN 38 Cb -0.12 -3.39 0.26 0.00 1.10 0.00 0.00 33.01 30.86 3kxf s GLN 38 CO -0.00 -1.05 1.01 -0.35 -0.55 0.00 0.00 175.29 174.36 3kxf n PRO 39 N 3.91 -2.05 0.00 1.67 -0.04 -1.25 -1.56 135.00 135.68 3kxf n PRO 39 Ca 0.03 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 3kxf n PRO 39 Cb 0.39 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3kxf n PRO 39 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kxf n PRO 40 N -4.74 0.00 0.00 0.54 -0.02 -1.26 -2.23 135.00 127.29 3kxf n PRO 40 Ca 0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 3kxf n PRO 40 Cb 0.54 -1.42 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 3kxf n PRO 40 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kxf h SER 41 N 0.00 0.07 0.00 2.55 0.87 -1.97 -3.49 113.55 111.58 3kxf h SER 41 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3kxf h SER 41 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3kxf h SER 41 CO 0.00 1.11 0.00 0.61 -0.53 0.00 0.00 176.83 178.02 3kxf n GLY 42 N 1.56 3.00 3.75 5.77 0.00 -0.95 -5.10 105.19 113.23 3kxf n GLY 42 Ca -0.15 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 1.66 -0.26 1.61 1.03 -1.26 -4.89 118.70 116.58 3kxf s GLU 43 Ca 0.00 0.84 -0.03 0.00 0.03 0.00 0.00 54.97 55.81 3kxf s GLU 43 Cb 0.00 -1.85 0.02 0.00 -0.80 0.00 0.00 34.13 31.50 3kxf s GLU 43 CO 0.00 -1.97 -0.02 -0.51 -1.33 0.00 0.00 175.26 171.43 3kxf s LEU 44 N -6.05 3.38 -0.17 1.83 1.43 -1.26 -3.94 118.68 113.90 3kxf s LEU 44 Ca 0.62 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3kxf s LEU 44 Cb -0.17 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3kxf s LEU 44 CO 0.56 -0.14 0.04 0.54 0.23 0.00 0.00 176.35 177.57 3kxf s VAL 45 N 1.38 4.55 0.11 -1.59 0.11 0.23 -4.93 120.40 120.27 3kxf s VAL 45 Ca 0.01 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.63 3kxf s VAL 45 Cb -0.17 -3.04 -0.08 0.00 -1.53 0.00 0.00 36.38 31.56 3kxf s VAL 45 CO -0.02 0.47 1.47 0.12 -3.33 0.00 0.00 175.10 173.81 3kxf s PHE 46 N 0.34 3.07 -0.21 1.54 5.36 -1.26 -0.82 117.98 126.00 3kxf s PHE 46 Ca 0.01 0.78 -0.12 0.00 -0.96 0.00 0.00 56.93 56.64 3kxf s PHE 46 Cb -0.13 -3.78 -0.09 0.00 -0.34 0.00 0.00 43.02 38.69 3kxf s PHE 46 CO 0.01 -2.82 -0.30 1.28 -1.46 0.00 0.00 175.22 171.93 3kxf n LEU 47 N 4.29 1.67 -3.60 6.12 4.77 -0.44 -4.92 117.00 124.89 3kxf n LEU 47 Ca 0.13 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 3kxf n LEU 47 Cb 0.41 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 3kxf n LEU 47 CO 0.60 0.29 0.55 -0.51 -1.33 0.00 0.00 177.39 177.00 3kxf s ILE 48 N -2.50 0.00 -0.02 -0.08 2.07 -1.17 -5.00 121.20 114.51 3kxf s ILE 48 Ca -0.31 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 58.98 3kxf s ILE 48 Cb 0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 3kxf s ILE 48 CO 0.40 0.00 -0.13 -0.60 -1.91 0.00 0.00 174.94 172.69 3kxf s ARG 49 N -0.27 2.42 -0.07 3.50 3.52 -1.26 -1.12 118.95 125.67 3kxf s ARG 49 Ca -0.02 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 54.78 3kxf s ARG 49 Cb -0.03 -2.36 0.04 0.00 -1.56 0.00 0.00 34.95 31.04 3kxf s ARG 49 CO 0.02 0.60 0.13 0.50 -0.81 0.00 0.00 175.30 175.74 3kxf s ARG 50 N -1.05 0.02 0.45 5.12 6.06 -0.50 -4.96 118.95 124.09 3kxf s ARG 50 Ca 0.13 0.47 -0.18 0.00 -2.50 0.00 0.00 55.73 53.66 3kxf s ARG 50 Cb -0.11 -0.29 -0.09 0.00 0.06 0.00 0.00 34.95 34.52 3kxf s ARG 50 CO 0.03 -0.27 0.93 -0.80 -2.50 0.00 0.00 175.30 172.69 3kxf s ASN 51 N 1.96 6.75 0.45 -2.12 0.01 -1.26 0.66 114.94 121.39 3kxf s ASN 51 Ca 0.00 1.55 0.17 0.00 -0.71 0.00 0.00 52.86 53.87 3kxf s ASN 51 Cb -0.12 -2.49 1.05 0.00 0.41 0.00 0.00 41.25 40.10 3kxf s ASN 51 CO -0.05 -0.45 1.97 0.77 -1.51 0.00 0.00 177.10 177.84 3kxf h SER 52 N 1.46 0.00 -0.30 -1.22 4.64 -0.59 -2.80 113.55 114.74 3kxf h SER 52 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kxf h SER 52 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kxf h SER 52 CO 0.62 0.21 0.00 2.22 -0.87 0.00 0.00 176.83 179.01 3kxf n PHE 53 N -4.08 0.40 -1.40 4.77 1.16 -1.26 -4.92 117.46 112.13 3kxf n PHE 53 Ca -0.02 -0.20 -0.06 0.00 -1.87 0.00 0.00 57.45 55.30 3kxf n PHE 53 Cb 0.28 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.19 3kxf n PHE 53 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3kxf n ASP 54 N 0.57 0.07 -3.05 5.98 8.00 -1.06 -5.10 116.55 121.95 3kxf n ASP 54 Ca 0.15 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3kxf n ASP 54 Cb 0.35 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3kxf n ASP 54 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kxf n GLU 55 N -1.54 1.13 0.00 -1.24 2.13 -1.26 -5.05 120.64 114.81 3kxf n GLU 55 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3kxf n GLU 55 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 3kxf n GLU 55 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kxf n GLN 56 N 0.00 2.29 -2.71 5.31 0.00 -1.26 -4.78 117.38 116.23 3kxf n GLN 56 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 56.57 3kxf n GLN 56 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 30.24 29.25 3kxf n GLN 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3kxf s ASN 57 N -3.25 6.95 -0.33 2.61 3.84 -1.26 -3.57 114.94 119.93 3kxf s ASN 57 Ca 0.00 1.12 -0.01 0.00 0.21 0.00 0.00 52.86 54.18 3kxf s ASN 57 Cb 0.00 -2.52 0.13 0.00 -0.55 0.00 0.00 41.25 38.31 3kxf s ASN 57 CO 0.00 -0.74 0.19 -0.70 -2.79 0.00 0.00 177.10 173.07 3kxf s GLU 58 N 3.33 0.44 -0.24 0.43 2.56 -1.15 -5.05 118.70 119.02 3kxf s GLU 58 Ca 0.42 -1.07 -0.04 0.00 0.00 0.00 0.00 54.97 54.28 3kxf s GLU 58 Cb -0.14 -1.23 -0.00 0.00 2.00 0.00 0.00 34.13 34.76 3kxf s GLU 58 CO 0.11 -1.15 -0.01 0.42 -0.56 0.00 0.00 175.26 174.06 3kxf s ILE 59 N 1.40 3.53 -0.51 -3.70 1.01 -1.26 -0.30 121.20 121.36 3kxf s ILE 59 Ca 0.15 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.34 3kxf s ILE 59 Cb -0.21 -2.66 0.24 0.00 0.01 0.00 0.00 42.46 39.84 3kxf s ILE 59 CO -0.10 0.34 0.60 -0.24 0.00 0.00 0.00 174.94 175.54 3kxf n SER 60 N 4.81 1.79 0.00 3.58 2.88 -0.93 -5.05 113.62 120.70 3kxf n SER 60 Ca -0.17 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 3kxf n SER 60 Cb 0.50 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 3kxf n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kxf n GLY 61 N 1.28 2.79 0.16 0.46 0.00 -1.26 -3.56 105.19 105.07 3kxf n GLY 61 Ca 0.25 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.51 -6.41 1.61 3.08 -1.94 -3.44 114.38 107.79 3kxf h ARG 62 Ca 0.00 -0.56 -0.54 0.00 0.07 0.00 0.00 59.98 58.95 3kxf h ARG 62 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3kxf h ARG 62 CO 0.00 1.19 0.51 0.71 -1.07 0.00 0.00 179.97 181.31 3kxf s TYR 63 N -3.21 3.49 0.02 3.04 1.51 -1.23 -2.19 117.35 118.77 3kxf s TYR 63 Ca -0.12 1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.40 3kxf s TYR 63 Cb 0.05 -3.29 -0.02 0.00 -0.11 0.00 0.00 41.96 38.59 3kxf s TYR 63 CO 0.86 -0.73 -0.02 -1.54 -1.11 0.00 0.00 175.55 173.02 3kxf s SER 64 N 1.10 0.21 0.07 2.29 1.04 0.34 -2.19 113.70 116.56 3kxf s SER 64 Ca 0.55 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.57 3kxf s SER 64 Cb -0.25 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 3kxf s SER 64 CO 0.27 -0.29 -0.11 0.26 0.98 0.00 0.00 173.24 174.35 3kxf s TRP 65 N -1.37 0.98 -0.20 5.02 0.51 0.58 -0.06 118.94 124.41 3kxf s TRP 65 Ca -0.15 -0.53 -0.03 0.00 -2.12 0.00 0.00 56.10 53.27 3kxf s TRP 65 Cb -0.09 -0.56 0.06 0.00 -0.81 0.00 0.00 33.47 32.08 3kxf s TRP 65 CO -0.01 -0.01 0.06 1.21 -0.51 0.00 0.00 176.95 177.69 3kxf s ASN 66 N -1.87 2.81 -0.47 2.95 3.04 -1.02 -2.91 114.94 117.47 3kxf s ASN 66 Ca -0.03 -0.81 -0.09 0.00 0.04 0.00 0.00 52.86 51.97 3kxf s ASN 66 Cb -0.08 -0.49 0.12 0.00 -1.54 0.00 0.00 41.25 39.26 3kxf s ASN 66 CO 0.01 -0.33 0.34 0.12 -3.04 0.00 0.00 177.10 174.20 3kxf s PHE 67 N 1.95 3.43 -0.61 0.43 5.36 -1.23 -2.09 117.98 125.21 3kxf s PHE 67 Ca 0.01 -1.89 -0.16 0.00 -0.96 0.00 0.00 56.93 53.93 3kxf s PHE 67 Cb -0.17 -3.47 0.15 0.00 -0.34 0.00 0.00 43.02 39.20 3kxf s PHE 67 CO -0.10 -0.99 0.56 -0.65 -1.46 0.00 0.00 175.22 172.58 3kxf s GLN 68 N 1.35 3.13 0.48 10.12 -1.52 -0.98 -4.67 119.66 127.57 3kxf s GLN 68 Ca 0.06 -1.87 0.21 0.00 -1.95 0.00 0.00 55.36 51.81 3kxf s GLN 68 Cb -0.26 -4.33 1.22 0.00 -0.22 0.00 0.00 33.01 29.42 3kxf s GLN 68 CO -0.01 -1.33 2.02 -0.22 -0.25 0.00 0.00 175.29 175.51 3kxf h LYS 69 N 8.65 0.00 -0.33 2.91 3.64 -1.94 -1.82 116.57 127.68 3kxf h LYS 69 Ca -0.21 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.00 3kxf h LYS 69 Cb 1.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3kxf h LYS 69 CO 0.98 0.16 -0.47 0.66 -2.27 0.00 0.00 179.45 178.51 3kxf h SER 70 N 0.00 0.98 -0.50 4.20 4.64 -1.95 -3.14 113.55 117.79 3kxf h SER 70 Ca -0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kxf h SER 70 Cb 0.35 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3kxf h SER 70 CO 0.02 1.30 0.00 0.35 -0.87 0.00 0.00 176.83 177.63 3kxf n THR 71 N -4.04 2.50 -4.23 2.95 -2.24 -1.10 -4.99 114.28 103.14 3kxf n THR 71 Ca -0.04 -1.50 -0.38 0.00 -2.27 0.00 0.00 64.05 59.87 3kxf n THR 71 Cb 0.59 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.40 -1.10 -4.20 3.42 7.64 -0.71 -4.93 113.62 114.14 3kxf n SER 72 Ca 0.26 -1.29 -0.13 0.00 1.01 0.00 0.00 58.87 58.72 3kxf n SER 72 Cb 1.07 -1.61 -0.10 0.00 -1.01 0.00 0.00 64.21 62.56 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 -4.04 1.43 -0.28 6.43 1.04 -1.06 -1.84 113.70 115.38 3kxf s SER 73 Ca 0.20 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3kxf s SER 73 Cb -0.11 0.04 0.15 0.00 0.10 0.00 0.00 66.02 66.19 3kxf s SER 73 CO 0.99 -0.37 0.36 0.12 0.98 0.00 0.00 173.24 175.32 3kxf s PHE 74 N -3.22 -0.77 -0.23 5.02 5.36 -0.26 -2.32 117.98 121.57 3kxf s PHE 74 Ca 0.12 0.20 -0.04 0.00 -0.96 0.00 0.00 56.93 56.25 3kxf s PHE 74 Cb 0.02 -0.25 -0.00 0.00 -0.34 0.00 0.00 43.02 42.45 3kxf s PHE 74 CO -0.02 -0.92 -0.03 -0.80 -1.46 0.00 0.00 175.22 171.99 3kxf s ASN 75 N 2.47 4.38 0.11 6.13 -0.87 -0.89 -3.96 114.94 122.31 3kxf s ASN 75 Ca 0.10 -0.51 -0.27 0.00 -1.57 0.00 0.00 52.86 50.61 3kxf s ASN 75 Cb -0.13 -1.74 -0.06 0.00 -0.02 0.00 0.00 41.25 39.29 3kxf s ASN 75 CO -0.29 -0.06 0.84 0.12 -2.57 0.00 0.00 177.10 175.15 3kxf s PHE 76 N 1.45 3.82 -0.06 2.20 5.36 -1.08 -2.42 117.98 127.25 3kxf s PHE 76 Ca 0.04 1.64 -0.02 0.00 -0.96 0.00 0.00 56.93 57.64 3kxf s PHE 76 Cb -0.15 -2.89 0.03 0.00 -0.34 0.00 0.00 43.02 39.67 3kxf s PHE 76 CO -0.03 0.32 0.04 0.99 -1.46 0.00 0.00 175.22 175.07 3kxf s THR 77 N -0.35 0.11 -0.24 0.12 2.01 0.91 -0.45 115.64 117.74 3kxf s THR 77 Ca 0.41 0.27 -0.09 0.00 0.31 0.00 0.00 61.69 62.58 3kxf s THR 77 Cb -0.22 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3kxf s THR 77 CO 0.26 0.19 0.13 -0.63 -0.69 0.00 0.00 174.62 173.89 3kxf s ILE 78 N 2.08 5.02 0.21 1.82 1.01 -0.55 -0.50 121.20 130.28 3kxf s ILE 78 Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3kxf s ILE 78 Cb -0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3kxf s ILE 78 CO -0.04 0.33 0.36 0.42 0.00 0.00 0.00 174.94 176.02 3kxf s THR 79 N 1.29 5.25 -1.47 2.92 -4.23 -0.93 -1.92 115.64 116.54 3kxf s THR 79 Ca 0.06 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 3kxf s THR 79 Cb -0.14 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.95 3kxf s THR 79 CO 0.06 -0.23 0.51 0.00 -0.54 0.00 0.00 174.62 174.41 3kxf n ALA 80 N -0.94 -1.83 -1.58 3.99 0.00 -1.24 -4.82 120.51 114.09 3kxf n ALA 80 Ca -0.07 -0.20 -0.46 0.00 0.00 0.00 0.00 53.44 52.71 3kxf n ALA 80 Cb 0.55 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 3kxf n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kxf n SER 81 N -2.91 1.29 -4.42 0.00 3.41 -0.71 -4.32 113.62 105.94 3kxf n SER 81 Ca -0.22 1.16 -0.29 0.00 -0.26 0.00 0.00 58.87 59.26 3kxf n SER 81 Cb 0.64 -1.25 -0.12 0.00 -0.26 0.00 0.00 64.21 63.22 3kxf n SER 81 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kxf s GLN 82 N -0.97 1.53 0.52 4.33 -0.21 -1.26 0.34 119.66 123.94 3kxf s GLN 82 Ca 0.65 -1.32 0.30 0.00 0.02 0.00 0.00 55.36 55.02 3kxf s GLN 82 Cb -0.77 -1.96 1.43 0.00 1.00 0.00 0.00 33.01 32.71 3kxf s GLN 82 CO 0.56 0.45 1.87 0.28 -2.12 0.00 0.00 175.29 176.33 3kxf h VAL 83 N 3.70 0.54 0.00 1.09 2.07 -1.88 0.12 116.25 121.90 3kxf h VAL 83 Ca -0.50 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3kxf h VAL 83 Cb 1.17 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3kxf h VAL 83 CO 0.42 0.01 -0.05 0.58 0.02 0.00 0.00 177.57 178.55 3kxf h VAL 84 N 0.06 1.00 0.00 2.57 2.07 -1.95 -1.85 116.25 118.15 3kxf h VAL 84 Ca 0.46 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3kxf h VAL 84 Cb 1.72 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3kxf h VAL 84 CO -0.04 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.07 3kxf n ASP 85 N -4.42 0.44 -4.53 0.57 8.00 0.43 -4.76 116.55 112.28 3kxf n ASP 85 Ca -0.03 0.64 -0.41 0.00 0.71 0.00 0.00 54.79 55.70 3kxf n ASP 85 Cb 0.13 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.46 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 -2.02 2.17 -3.22 -2.24 7.64 -0.70 -4.86 113.62 110.40 3kxf n SER 86 Ca 0.01 -0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.74 3kxf n SER 86 Cb 0.15 -1.42 0.01 0.00 -1.01 0.00 0.00 64.21 61.95 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 9.99 -0.99 -0.22 -0.43 0.00 -0.89 -4.44 121.76 124.78 3kxf s ALA 87 Ca 1.07 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3kxf s ALA 87 Cb -0.51 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 3kxf s ALA 87 CO 0.36 -1.01 0.17 0.08 0.00 0.00 0.00 175.76 175.36 3kxf s VAL 88 N -2.68 5.37 -0.15 0.00 1.01 -0.60 0.08 120.40 123.43 3kxf s VAL 88 Ca 0.15 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 3kxf s VAL 88 Cb -0.05 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3kxf s VAL 88 CO 0.09 0.38 -0.02 -0.31 0.00 0.00 0.00 175.10 175.24 3kxf s TYR 89 N 0.76 3.07 -0.14 5.22 2.02 0.46 -0.71 117.35 128.03 3kxf s TYR 89 Ca 0.09 -0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 56.61 3kxf s TYR 89 Cb -0.13 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3kxf s TYR 89 CO 0.02 0.07 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.88 3kxf s PHE 90 N 0.17 2.82 -0.10 2.71 0.08 0.90 -1.18 117.98 123.38 3kxf s PHE 90 Ca -0.01 -0.72 -0.06 0.00 0.12 0.00 0.00 56.93 56.26 3kxf s PHE 90 Cb -0.13 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3kxf s PHE 90 CO 0.02 -0.28 0.15 0.00 -0.10 0.00 0.00 175.22 175.02 3kxf s ALA 92 N -1.08 -0.41 -0.03 0.00 0.00 -0.57 0.21 121.76 119.88 3kxf s ALA 92 Ca 0.17 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.20 3kxf s ALA 92 Cb -0.12 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3kxf s ALA 92 CO 0.07 -0.20 -0.21 -1.17 0.00 0.00 0.00 175.76 174.25 3kxf s LEU 93 N -1.20 2.01 0.07 0.00 2.96 0.14 0.31 118.68 122.98 3kxf s LEU 93 Ca -0.13 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 3kxf s LEU 93 Cb -0.07 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.53 3kxf s LEU 93 CO 0.02 0.23 0.28 -0.55 -1.32 0.00 0.00 176.35 175.01 3kxf s SER 94 N -0.29 -0.06 0.63 3.68 0.15 -1.01 -0.01 113.70 116.78 3kxf s SER 94 Ca 0.03 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 3kxf s SER 94 Cb -0.10 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 3kxf s SER 94 CO 0.01 -0.70 0.88 -0.83 1.20 0.00 0.00 173.24 173.80 3kxf s GLY 95 N -2.47 1.79 0.00 9.45 0.00 -1.26 -2.08 107.32 112.75 3kxf s GLY 95 Ca -0.00 -1.37 0.26 0.00 0.00 0.00 0.00 44.72 43.60 3kxf s GLY 95 CO -0.08 -0.98 1.48 0.69 0.00 0.00 0.00 173.10 174.21 3kxf n PHE 96 N -2.59 0.00 -4.22 1.90 3.01 -1.26 -4.86 117.46 109.43 3kxf n PHE 96 Ca 0.10 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.27 3kxf n PHE 96 Cb 0.60 -0.21 -0.10 0.00 -0.01 0.00 0.00 39.48 39.76 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 -2.83 2.74 0.57 1.38 1.51 -1.26 -5.00 117.35 114.47 3kxf s TYR 97 Ca 0.16 -0.16 0.32 0.00 -1.01 0.00 0.00 57.07 56.39 3kxf s TYR 97 Cb 0.18 -1.42 1.42 0.00 -0.11 0.00 0.00 41.96 42.03 3kxf s TYR 97 CO 0.63 0.44 1.74 -2.95 -1.11 0.00 0.00 175.55 174.31 3kxf h ASN 98 N 3.49 0.00 0.98 2.29 -1.07 -2.07 0.52 115.58 119.73 3kxf h ASN 98 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 3kxf h ASN 98 Cb 1.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 3kxf h ASN 98 CO 0.53 0.00 -0.37 0.41 0.07 0.00 0.00 177.43 178.07 3kxf n THR 99 N -3.82 0.32 -2.50 6.14 -1.04 -1.26 -4.91 114.28 107.20 3kxf n THR 99 Ca 0.19 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 3kxf n THR 99 Cb 1.11 -0.23 -0.04 0.00 -1.82 0.00 0.00 70.33 69.34 3kxf n THR 99 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3kxf s ASP 100 N -3.97 7.26 -0.34 8.00 1.01 0.18 -5.00 116.67 123.80 3kxf s ASP 100 Ca 0.09 2.11 -0.25 0.00 0.71 0.00 0.00 52.55 55.21 3kxf s ASP 100 Cb 0.14 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.48 3kxf s ASP 100 CO 0.66 -0.22 0.87 -0.54 0.21 0.00 0.00 175.17 176.15 3kxf s LYS 101 N -0.42 3.88 -0.34 8.23 1.02 -1.26 -4.79 119.74 126.06 3kxf s LYS 101 Ca 0.49 0.58 -0.29 0.00 0.02 0.00 0.00 55.97 56.77 3kxf s LYS 101 Cb -0.30 -3.78 -0.01 0.00 -0.52 0.00 0.00 37.83 33.23 3kxf s LYS 101 CO 0.35 -0.84 1.58 -1.17 -0.92 0.00 0.00 175.35 174.35 3kxf s LEU 102 N 3.26 3.62 -0.17 3.17 2.96 -1.26 -4.52 118.68 125.74 3kxf s LEU 102 Ca 0.36 1.16 -0.06 0.00 -0.22 0.00 0.00 54.13 55.37 3kxf s LEU 102 Cb -0.13 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3kxf s LEU 102 CO 0.16 -1.48 0.04 -0.63 -1.32 0.00 0.00 176.35 173.12 3kxf s ILE 103 N 5.87 4.60 0.21 6.68 -1.09 0.98 -4.96 121.20 133.48 3kxf s ILE 103 Ca 0.70 -0.11 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 3kxf s ILE 103 Cb -0.19 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 3kxf s ILE 103 CO 0.32 0.49 0.27 -0.36 -1.23 0.00 0.00 174.94 174.43 3kxf s PHE 104 N 0.21 3.34 0.44 3.97 0.40 -1.26 0.28 117.98 125.35 3kxf s PHE 104 Ca 0.03 -0.00 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 3kxf s PHE 104 Cb -0.13 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 3kxf s PHE 104 CO 0.01 0.49 0.70 0.20 0.70 0.00 0.00 175.22 177.32 3kxf s GLY 105 N -3.62 1.45 0.61 4.36 0.00 0.13 -4.60 107.32 105.65 3kxf s GLY 105 Ca 0.33 -0.71 0.32 0.00 0.00 0.00 0.00 44.72 44.67 3kxf s GLY 105 CO 0.27 -0.57 2.18 0.00 0.00 0.00 0.00 173.10 174.98 3kxf h THR 106 N 0.41 0.35 0.00 0.90 1.03 -1.85 -3.44 112.91 110.31 3kxf h THR 106 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 3kxf h THR 106 Cb 1.22 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 3kxf h THR 106 CO 0.61 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.73 3kxf n GLY 107 N -1.30 1.69 2.99 2.99 0.00 -1.26 -5.05 105.19 105.25 3kxf n GLY 107 Ca -0.01 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.40 -0.22 -0.20 2.61 2.01 -0.33 -4.60 115.64 112.52 3kxf s THR 108 Ca 0.00 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.99 3kxf s THR 108 Cb 0.00 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 3kxf s THR 108 CO 0.00 0.10 0.81 -0.60 -0.69 0.00 0.00 174.62 174.24 3kxf s ARG 109 N 1.85 4.25 -0.25 4.92 3.52 -0.11 0.17 118.95 133.31 3kxf s ARG 109 Ca -0.03 0.95 -0.07 0.00 -0.13 0.00 0.00 55.73 56.44 3kxf s ARG 109 Cb -0.11 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3kxf s ARG 109 CO -0.08 -0.39 0.06 -1.17 -0.81 0.00 0.00 175.30 172.92 3kxf s LEU 110 N 2.38 3.42 -0.43 -0.88 2.96 0.11 -0.44 118.68 125.81 3kxf s LEU 110 Ca 0.36 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 3kxf s LEU 110 Cb -0.16 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.70 3kxf s LEU 110 CO 0.10 -0.04 0.27 -1.10 -1.32 0.00 0.00 176.35 174.27 3kxf s GLN 111 N 1.61 2.58 -0.39 1.98 -0.21 -0.19 -2.09 119.66 122.94 3kxf s GLN 111 Ca 0.06 -1.51 -0.19 0.00 0.02 0.00 0.00 55.36 53.75 3kxf s GLN 111 Cb -0.15 -3.80 0.01 0.00 1.00 0.00 0.00 33.01 30.07 3kxf s GLN 111 CO 0.03 -0.99 0.54 0.08 -2.12 0.00 0.00 175.29 172.84 3kxf s VAL 112 N 1.41 4.97 0.29 1.09 1.01 -1.26 -2.62 120.40 125.29 3kxf s VAL 112 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3kxf s VAL 112 Cb -0.23 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3kxf s VAL 112 CO 0.02 -0.38 0.47 -0.36 0.00 0.00 0.00 175.10 174.84 3kxf s PHE 113 N 2.49 3.48 0.92 5.22 0.40 -0.50 -4.41 117.98 125.58 3kxf s PHE 113 Ca 0.19 0.26 -0.13 0.00 -0.60 0.00 0.00 56.93 56.65 3kxf s PHE 113 Cb -0.15 -1.81 0.14 0.00 0.51 0.00 0.00 43.02 41.71 3kxf s PHE 113 CO 0.15 0.26 1.15 -1.25 0.70 0.00 0.00 175.22 176.24 3kxf s PRO 114 N -3.99 1.10 -0.96 0.24 0.04 -1.26 -0.41 135.00 129.76 3kxf s PRO 114 Ca 0.38 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.62 3kxf s PRO 114 Cb -0.10 -1.84 0.32 0.00 0.04 0.00 0.00 34.50 32.92 3kxf s PRO 114 CO 0.32 -2.21 1.55 -1.71 0.04 0.00 0.00 177.00 175.00 3kxf n ASN 115 N -3.76 6.51 -3.71 6.66 2.85 -1.26 -4.50 115.26 118.05 3kxf n ASN 115 Ca 0.08 -3.60 -0.38 0.00 -0.11 0.00 0.00 54.58 50.56 3kxf n ASN 115 Cb 0.59 -1.09 -0.12 0.00 1.24 0.00 0.00 39.78 40.41 3kxf n ASN 115 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3kxf n ILE 116 N 0.35 0.00 0.17 -1.44 2.08 -1.26 -4.76 119.36 114.50 3kxf n ILE 116 Ca 0.38 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.73 3kxf n ILE 116 Cb 0.31 -0.42 0.25 0.00 -0.75 0.00 0.00 39.64 39.02 3kxf n ILE 116 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 3kxf h GLN 117 N 9.40 0.00 -2.02 0.38 5.75 -1.95 -3.37 115.11 123.30 3kxf h GLN 117 Ca -0.05 0.00 -0.46 0.00 -0.15 0.00 0.00 58.65 57.98 3kxf h GLN 117 Cb 1.12 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 29.35 3kxf h GLN 117 CO 1.10 0.46 -0.82 -0.80 -2.65 0.00 0.00 178.83 176.11 3kxf s ASN 118 N -6.51 0.86 0.31 -0.69 0.01 -1.26 -5.13 114.94 102.52 3kxf s ASN 118 Ca 0.00 -2.51 -0.28 0.00 -0.71 0.00 0.00 52.86 49.36 3kxf s ASN 118 Cb 0.11 0.22 -0.13 0.00 0.41 0.00 0.00 41.25 41.85 3kxf s ASN 118 CO 0.71 -0.17 1.12 -2.65 -1.51 0.00 0.00 177.10 174.60 3kxf n PRO 119 N 3.14 1.65 -2.72 -0.60 -0.02 -1.26 -4.94 135.00 130.25 3kxf n PRO 119 Ca 0.23 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 3kxf n PRO 119 Cb 0.49 -2.03 0.07 0.00 -0.02 0.00 0.00 33.50 32.01 3kxf n PRO 119 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3kxf n ASP 120 N 1.04 -0.42 -4.70 2.55 2.03 -0.39 -5.06 116.55 111.61 3kxf n ASP 120 Ca 0.08 -2.70 -0.44 0.00 0.52 0.00 0.00 54.79 52.24 3kxf n ASP 120 Cb 0.34 0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 3kxf n ASP 120 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kxf n PRO 121 N -0.24 2.37 -3.67 -0.67 -0.04 -0.92 -4.70 135.00 127.14 3kxf n PRO 121 Ca 0.05 0.85 -0.13 0.00 -0.04 0.00 0.00 63.50 64.22 3kxf n PRO 121 Cb 0.81 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 3kxf n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kxf s ALA 122 N 0.56 -1.04 -0.10 0.55 0.00 0.13 -0.91 121.76 120.95 3kxf s ALA 122 Ca 0.72 0.43 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3kxf s ALA 122 Cb -0.60 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3kxf s ALA 122 CO 0.41 -0.40 -0.16 0.08 0.00 0.00 0.00 175.76 175.69 3kxf s VAL 123 N -2.05 2.79 0.15 0.00 1.01 -0.72 -0.32 120.40 121.26 3kxf s VAL 123 Ca -0.08 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3kxf s VAL 123 Cb -0.02 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3kxf s VAL 123 CO 0.01 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.18 3kxf s TYR 124 N 0.07 1.66 -0.14 5.22 2.02 0.17 -4.12 117.35 122.22 3kxf s TYR 124 Ca -0.07 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 3kxf s TYR 124 Cb -0.15 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 3kxf s TYR 124 CO 0.05 0.26 0.01 -1.14 -1.57 0.00 0.00 175.55 173.16 3kxf s GLN 125 N -2.75 3.56 -0.25 -0.62 0.74 -1.26 -0.98 119.66 118.10 3kxf s GLN 125 Ca 0.13 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 55.07 3kxf s GLN 125 Cb -0.05 -2.99 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 3kxf s GLN 125 CO 0.05 0.42 0.02 -0.51 -0.55 0.00 0.00 175.29 174.71 3kxf s LEU 126 N -0.08 3.28 0.85 3.68 1.02 -0.04 -5.00 118.68 122.39 3kxf s LEU 126 Ca 0.04 -0.42 -0.15 0.00 0.02 0.00 0.00 54.13 53.62 3kxf s LEU 126 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 3kxf s LEU 126 CO 0.02 -0.07 0.19 -1.14 0.02 0.00 0.00 176.35 175.38 3kxf n ARG 127 N 4.85 -0.01 0.00 1.70 0.00 -1.26 -3.54 116.66 118.40 3kxf n ARG 127 Ca -0.17 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 3kxf n ARG 127 Cb 0.50 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.32 3kxf n ARG 127 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kxf n ASP 128 N 0.17 0.00 0.00 6.15 10.43 -1.23 -4.89 116.55 127.18 3kxf n ASP 128 Ca 0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.42 3kxf n ASP 128 Cb 0.52 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.48 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 0.00 1.68 0.00 -2.24 7.64 -1.26 -4.97 113.62 114.46 3kxf n SER 129 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kxf n SER 129 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kxf n SER 129 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kxf n LYS 130 N -1.90 0.00 -1.66 1.43 5.02 -1.26 -5.04 118.16 114.75 3kxf n LYS 130 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3kxf n LYS 130 Cb 0.21 -0.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.99 3kxf n LYS 130 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kxf s SER 131 N -1.61 5.42 -0.19 4.39 1.04 -1.26 -4.88 113.70 116.61 3kxf s SER 131 Ca 0.00 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 58.02 3kxf s SER 131 Cb 0.00 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 3kxf s SER 131 CO 0.00 -2.01 -0.23 -1.20 0.98 0.00 0.00 173.24 170.78 3kxf n SER 132 N 11.88 1.90 -3.94 7.02 7.64 -1.26 -5.02 113.62 131.83 3kxf n SER 132 Ca 0.29 0.43 -0.28 0.00 1.01 0.00 0.00 58.87 60.32 3kxf n SER 132 Cb 0.46 -0.82 -0.17 0.00 -1.01 0.00 0.00 64.21 62.67 3kxf n SER 132 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3kxf s ASP 133 N -6.31 2.66 0.00 6.43 3.84 -1.26 -5.03 116.67 117.00 3kxf s ASP 133 Ca -0.27 -0.53 0.00 0.00 -0.00 0.00 0.00 52.55 51.75 3kxf s ASP 133 Cb 0.06 -0.99 0.00 0.00 -1.38 0.00 0.00 42.92 40.61 3kxf s ASP 133 CO 0.41 -0.13 0.14 2.29 -0.00 0.00 0.00 175.17 177.88 3kxf n LYS 134 N 4.85 0.00 -4.53 2.11 0.00 -1.26 -4.52 118.16 114.81 3kxf n LYS 134 Ca -0.14 -0.14 -0.21 0.00 -0.00 0.00 0.00 58.31 57.83 3kxf n LYS 134 Cb 0.49 -0.30 -0.15 0.00 -0.00 0.00 0.00 35.03 35.07 3kxf n LYS 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3kxf s SER 135 N 0.00 1.46 -0.02 -5.58 0.15 -1.26 -3.51 113.70 104.93 3kxf s SER 135 Ca 0.00 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.42 3kxf s SER 135 Cb 0.00 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 3kxf s SER 135 CO 0.00 0.14 -0.06 -0.69 1.20 0.00 0.00 173.24 173.82 3kxf s VAL 136 N -0.35 0.56 -0.21 4.45 1.01 -1.23 -4.25 120.40 120.38 3kxf s VAL 136 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3kxf s VAL 136 Cb -0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3kxf s VAL 136 CO -0.00 0.19 0.03 0.00 0.00 0.00 0.00 175.10 175.32 3kxf s LEU 138 N 1.05 3.76 -0.21 0.00 2.96 -0.15 -0.62 118.68 125.46 3kxf s LEU 138 Ca 0.03 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3kxf s LEU 138 Cb -0.14 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.66 3kxf s LEU 138 CO 0.02 0.28 -0.13 0.12 -1.32 0.00 0.00 176.35 175.32 3kxf s PHE 139 N -0.27 2.95 0.15 5.38 5.36 0.45 0.43 117.98 132.42 3kxf s PHE 139 Ca 0.07 -1.65 -0.06 0.00 -0.96 0.00 0.00 56.93 54.33 3kxf s PHE 139 Cb -0.12 -1.98 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 3kxf s PHE 139 CO 0.02 -0.77 0.19 -0.08 -1.46 0.00 0.00 175.22 173.12 3kxf s THR 140 N 1.29 0.08 -1.16 0.12 -1.32 0.57 -0.25 115.64 114.97 3kxf s THR 140 Ca 0.02 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 3kxf s THR 140 Cb -0.15 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 3kxf s THR 140 CO -0.09 -0.38 0.00 0.47 -2.21 0.00 0.00 174.62 172.41 3kxf n ASP 141 N -0.16 -4.20 -4.89 8.08 9.92 -1.06 -0.70 116.55 123.55 3kxf n ASP 141 Ca -0.07 0.20 -0.29 0.00 -0.53 0.00 0.00 54.79 54.09 3kxf n ASP 141 Cb 0.63 -2.93 -0.03 0.00 -0.64 0.00 0.00 41.12 38.15 3kxf n ASP 141 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3kxf s PHE 142 N -2.47 3.47 0.78 1.24 -0.12 -1.26 -1.26 117.98 118.35 3kxf s PHE 142 Ca 0.00 0.85 -0.12 0.00 -0.05 0.00 0.00 56.93 57.62 3kxf s PHE 142 Cb 0.00 -2.28 0.06 0.00 -0.63 0.00 0.00 43.02 40.17 3kxf s PHE 142 CO 0.00 0.02 1.11 0.16 -0.05 0.00 0.00 175.22 176.46 3kxf s ASP 143 N -3.18 4.75 0.00 1.98 1.47 -1.26 -4.37 116.67 116.06 3kxf s ASP 143 Ca 0.48 1.17 0.00 0.00 1.18 0.00 0.00 52.55 55.38 3kxf s ASP 143 Cb -0.10 -1.89 0.00 0.00 -0.34 0.00 0.00 42.92 40.58 3kxf s ASP 143 CO 0.31 -1.79 0.67 -1.20 0.68 0.00 0.00 175.17 173.83 3kxf n SER 144 N -3.30 0.27 -1.80 2.11 7.64 -1.26 -2.91 113.62 114.37 3kxf n SER 144 Ca 0.07 -1.61 0.07 0.00 1.01 0.00 0.00 58.87 58.41 3kxf n SER 144 Cb 0.57 -0.14 0.39 0.00 -1.01 0.00 0.00 64.21 64.03 3kxf n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kxf n GLN 145 N -0.30 4.72 -5.13 1.43 1.13 -1.26 -4.95 117.38 113.03 3kxf n GLN 145 Ca 0.00 -3.14 -0.32 0.00 -1.94 0.00 0.00 57.00 51.60 3kxf n GLN 145 Cb 0.07 -2.23 -0.16 0.00 0.11 0.00 0.00 30.24 28.04 3kxf n GLN 145 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3kxf s THR 146 N -2.76 2.37 -0.04 5.09 2.01 -1.14 -5.10 115.64 116.07 3kxf s THR 146 Ca 0.54 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3kxf s THR 146 Cb 0.41 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 3kxf s THR 146 CO 0.16 0.57 -0.06 0.20 -0.69 0.00 0.00 174.62 174.79 3kxf s ASN 147 N -0.14 4.69 -0.56 3.53 0.01 -1.26 -5.01 114.94 116.20 3kxf s ASN 147 Ca -0.03 -0.05 -0.01 0.00 -0.71 0.00 0.00 52.86 52.06 3kxf s ASN 147 Cb -0.14 -1.16 0.14 0.00 0.41 0.00 0.00 41.25 40.50 3kxf s ASN 147 CO 0.04 0.34 0.35 -0.69 -1.51 0.00 0.00 177.10 175.62 3kxf s VAL 148 N -0.88 3.33 0.81 1.60 1.01 -1.26 -4.43 120.40 120.58 3kxf s VAL 148 Ca 0.14 -2.89 -0.12 0.00 0.00 0.00 0.00 61.98 59.12 3kxf s VAL 148 Cb -0.11 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 33.12 3kxf s VAL 148 CO 0.04 -0.82 1.11 -0.44 0.00 0.00 0.00 175.10 174.99 3kxf s SER 149 N 0.64 4.39 0.76 3.32 0.01 -1.26 -4.72 113.70 116.83 3kxf s SER 149 Ca 0.15 1.18 -0.12 0.00 1.31 0.00 0.00 55.95 58.47 3kxf s SER 149 Cb -0.22 -1.87 0.05 0.00 0.21 0.00 0.00 66.02 64.20 3kxf s SER 149 CO -0.03 -2.02 1.11 -1.10 0.41 0.00 0.00 173.24 171.61 3kxf s GLN 150 N -5.23 2.22 0.45 12.44 -1.52 -1.26 -4.91 119.66 121.84 3kxf s GLN 150 Ca 0.61 1.31 -0.17 0.00 -1.95 0.00 0.00 55.36 55.17 3kxf s GLN 150 Cb -0.14 -1.88 -0.09 0.00 -0.22 0.00 0.00 33.01 30.68 3kxf s GLN 150 CO 0.53 -1.69 0.91 -1.54 -0.25 0.00 0.00 175.29 173.25 3kxf s SER 151 N -3.01 6.72 0.35 5.90 1.04 -1.26 -4.89 113.70 118.55 3kxf s SER 151 Ca 0.64 1.50 0.07 0.00 0.48 0.00 0.00 55.95 58.64 3kxf s SER 151 Cb -0.19 -2.47 0.67 0.00 0.10 0.00 0.00 66.02 64.12 3kxf s SER 151 CO 0.52 -0.44 1.87 0.11 0.98 0.00 0.00 173.24 176.29 3kxf h LYS 152 N 1.45 0.37 -7.26 4.02 1.79 -1.95 -3.47 116.57 111.51 3kxf h LYS 152 Ca -0.48 -0.09 -0.52 0.00 -2.18 0.00 0.00 60.65 57.39 3kxf h LYS 152 Cb 1.18 -0.05 0.14 0.00 -1.58 0.00 0.00 32.23 31.92 3kxf h LYS 152 CO 0.62 0.48 0.32 0.34 -1.08 0.00 0.00 179.45 180.14 3kxf s ASP 153 N -6.82 4.33 0.04 0.86 -1.08 -1.26 -4.98 116.67 107.76 3kxf s ASP 153 Ca -0.06 2.00 -0.25 0.00 -0.52 0.00 0.00 52.55 53.71 3kxf s ASP 153 Cb 0.15 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.90 3kxf s ASP 153 CO 0.75 -2.15 1.48 -1.28 0.52 0.00 0.00 175.17 174.49 3kxf h SER 154 N -0.87 -0.17 -1.47 -0.34 0.87 -2.05 -3.36 113.55 106.15 3kxf h SER 154 Ca -0.45 -0.16 -0.53 0.00 -1.23 0.00 0.00 61.79 59.42 3kxf h SER 154 Cb 1.25 0.04 -0.41 0.00 -0.44 0.00 0.00 62.40 62.84 3kxf h SER 154 CO 0.50 0.07 -0.86 0.47 -0.53 0.00 0.00 176.83 176.48 3kxf n ASP 155 N -5.08 3.75 -4.02 6.23 8.00 -1.26 -4.94 116.55 119.22 3kxf n ASP 155 Ca -0.09 -3.44 -0.31 0.00 0.71 0.00 0.00 54.79 51.66 3kxf n ASP 155 Cb 0.18 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.63 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 -4.74 1.81 -0.24 2.53 1.01 -1.26 -4.51 120.40 115.01 3kxf s VAL 156 Ca 0.43 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3kxf s VAL 156 Cb 0.40 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kxf s VAL 156 CO -0.12 0.08 0.13 -0.31 0.00 0.00 0.00 175.10 174.88 3kxf s TYR 157 N 1.30 3.24 -0.08 5.22 2.02 -0.67 -4.60 117.35 123.78 3kxf s TYR 157 Ca -0.04 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 3kxf s TYR 157 Cb -0.18 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.15 3kxf s TYR 157 CO -0.07 -0.04 -0.08 0.42 -1.57 0.00 0.00 175.55 174.20 3kxf s ILE 158 N 1.19 0.94 0.26 2.71 1.01 -1.26 -1.49 121.20 124.56 3kxf s ILE 158 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 3kxf s ILE 158 Cb -0.14 -0.92 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 3kxf s ILE 158 CO 0.05 0.33 0.57 0.42 0.00 0.00 0.00 174.94 176.31 3kxf s THR 159 N 1.18 4.94 1.03 2.92 -4.23 -0.68 -4.86 115.64 115.94 3kxf s THR 159 Ca -0.05 0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 3kxf s THR 159 Cb -0.14 -3.65 0.21 0.00 1.34 0.00 0.00 72.50 70.25 3kxf s THR 159 CO -0.02 -0.17 1.08 -0.62 -0.54 0.00 0.00 174.62 174.34 3kxf s ASP 160 N -2.62 2.27 0.79 3.99 3.68 -1.26 -4.33 116.67 119.18 3kxf s ASP 160 Ca 0.47 1.33 -0.10 0.00 2.13 0.00 0.00 52.55 56.37 3kxf s ASP 160 Cb -0.11 -2.02 0.07 0.00 -1.45 0.00 0.00 42.92 39.40 3kxf s ASP 160 CO 0.24 -3.37 1.10 -1.59 0.13 0.00 0.00 175.17 171.68 3kxf s LYS 161 N -4.82 2.13 -0.03 4.34 -2.85 -1.26 -4.76 119.74 112.48 3kxf s LYS 161 Ca 0.66 1.20 -0.06 0.00 -1.00 0.00 0.00 55.97 56.77 3kxf s LYS 161 Cb -0.20 -1.88 0.01 0.00 -2.06 0.00 0.00 37.83 33.70 3kxf s LYS 161 CO 0.59 -1.74 0.15 0.00 0.10 0.00 0.00 175.35 174.45 3kxf s VAL 163 N -0.50 3.59 0.43 0.00 1.01 -1.26 -1.65 120.40 122.02 3kxf s VAL 163 Ca -0.06 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 3kxf s VAL 163 Cb -0.04 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 3kxf s VAL 163 CO 0.01 -0.06 0.93 -0.22 0.00 0.00 0.00 175.10 175.76 3kxf s LEU 164 N 1.39 3.90 -0.45 3.92 1.98 0.12 -4.95 118.68 124.60 3kxf s LEU 164 Ca -0.01 1.62 0.05 0.00 -2.89 0.00 0.00 54.13 52.90 3kxf s LEU 164 Cb -0.19 -4.48 0.18 0.00 0.66 0.00 0.00 46.19 42.36 3kxf s LEU 164 CO 0.01 -0.38 0.47 -0.62 -1.89 0.00 0.00 176.35 173.95 3kxf s ASP 165 N -2.34 0.43 -0.26 3.68 2.15 -1.26 -2.69 116.67 116.37 3kxf s ASP 165 Ca 0.61 -2.54 -0.28 0.00 0.43 0.00 0.00 52.55 50.76 3kxf s ASP 165 Cb -0.09 0.41 -0.06 0.00 -0.30 0.00 0.00 42.92 42.88 3kxf s ASP 165 CO 0.16 -0.13 2.25 0.23 -0.17 0.00 0.00 175.17 177.51 3kxf n MET 166 N 2.95 1.80 0.12 4.34 2.81 -0.28 -4.87 117.12 123.99 3kxf n MET 166 Ca 0.25 0.46 -0.06 0.00 -1.81 0.00 0.00 57.70 56.53 3kxf n MET 166 Cb 0.51 -3.21 -0.03 0.00 -0.71 0.00 0.00 33.22 29.77 3kxf n MET 166 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3kxf h ARG 167 N 15.46 -0.38 -0.13 0.03 2.43 -1.97 -1.70 114.38 128.10 3kxf h ARG 167 Ca -0.38 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.85 3kxf h ARG 167 Cb 1.25 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3kxf h ARG 167 CO 0.99 -0.25 0.50 0.66 -1.51 0.00 0.00 179.97 180.36 3kxf h SER 168 N -1.10 0.00 0.29 -3.80 4.64 -1.97 0.64 113.55 112.26 3kxf h SER 168 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kxf h SER 168 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3kxf h SER 168 CO 0.07 0.00 -1.50 0.23 -0.87 0.00 0.00 176.83 174.76 3kxf n MET 169 N -3.01 0.51 -3.64 4.77 2.81 -1.24 -5.00 117.12 112.32 3kxf n MET 169 Ca 0.01 -0.07 -0.22 0.00 -1.81 0.00 0.00 57.70 55.61 3kxf n MET 169 Cb 0.58 -1.60 0.04 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.21 -2.19 -4.12 7.83 8.00 0.22 -5.03 116.55 119.05 3kxf n ASP 170 Ca -0.01 -0.82 -0.23 0.00 0.71 0.00 0.00 54.79 54.44 3kxf n ASP 170 Cb 0.52 -4.16 -0.15 0.00 -0.02 0.00 0.00 41.12 37.30 3kxf n ASP 170 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3kxf s PHE 171 N -3.60 1.35 0.08 1.24 5.36 -0.67 -5.05 117.98 116.69 3kxf s PHE 171 Ca 0.10 -0.27 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 3kxf s PHE 171 Cb -0.03 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.74 3kxf s PHE 171 CO 0.81 -0.04 -0.18 0.15 -1.46 0.00 0.00 175.22 174.50 3kxf s LYS 172 N -0.29 1.00 -0.13 10.12 1.02 -1.26 -1.12 119.74 129.07 3kxf s LYS 172 Ca 0.04 -1.05 -0.16 0.00 0.02 0.00 0.00 55.97 54.82 3kxf s LYS 172 Cb -0.06 -1.14 0.04 0.00 -0.52 0.00 0.00 37.83 36.14 3kxf s LYS 172 CO -0.00 0.26 0.43 -1.54 -0.92 0.00 0.00 175.35 173.58 3kxf s SER 173 N -1.78 -0.42 0.39 2.83 1.04 -1.10 -4.90 113.70 109.77 3kxf s SER 173 Ca 0.03 0.74 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 3kxf s SER 173 Cb -0.10 0.78 -0.05 0.00 0.10 0.00 0.00 66.02 66.75 3kxf s SER 173 CO 0.03 -0.22 0.70 0.20 0.98 0.00 0.00 173.24 174.93 3kxf s ASN 174 N -0.09 6.42 0.03 7.02 0.01 -1.26 0.15 114.94 127.22 3kxf s ASN 174 Ca -0.03 0.92 -0.28 0.00 -0.71 0.00 0.00 52.86 52.77 3kxf s ASN 174 Cb -0.03 -2.23 0.08 0.00 0.41 0.00 0.00 41.25 39.47 3kxf s ASN 174 CO 0.02 -0.38 0.69 -0.94 -1.51 0.00 0.00 177.10 174.98 3kxf s SER 175 N -3.45 -0.58 -0.04 -1.22 1.04 -0.66 -2.56 113.70 106.23 3kxf s SER 175 Ca 0.47 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 3kxf s SER 175 Cb -0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3kxf s SER 175 CO 0.35 -0.73 0.11 0.00 0.98 0.00 0.00 173.24 173.95 3kxf s ALA 176 N -2.32 -0.27 -0.01 5.32 0.00 0.65 -1.84 121.76 123.28 3kxf s ALA 176 Ca -0.04 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3kxf s ALA 176 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3kxf s ALA 176 CO -0.01 -0.07 0.00 0.08 0.00 0.00 0.00 175.76 175.77 3kxf s VAL 177 N -0.07 4.18 -0.10 0.00 1.01 -1.26 -0.41 120.40 123.75 3kxf s VAL 177 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3kxf s VAL 177 Cb -0.01 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.57 3kxf s VAL 177 CO 0.00 0.41 0.21 0.00 0.00 0.00 0.00 175.10 175.72 3kxf s ALA 178 N -1.06 -0.38 0.04 5.51 0.00 0.21 -1.68 121.76 124.40 3kxf s ALA 178 Ca 0.19 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 52.94 3kxf s ALA 178 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3kxf s ALA 178 CO 0.09 -0.42 -0.04 1.67 0.00 0.00 0.00 175.76 177.06 3kxf s TRP 179 N 1.87 0.45 0.15 0.00 -2.14 -0.56 -0.58 118.94 118.14 3kxf s TRP 179 Ca -0.03 -0.77 -0.22 0.00 2.66 0.00 0.00 56.10 57.74 3kxf s TRP 179 Cb -0.12 -0.31 0.06 0.00 -3.10 0.00 0.00 33.47 30.00 3kxf s TRP 179 CO -0.07 -0.25 0.56 0.45 -2.66 0.00 0.00 176.95 174.98 3kxf s SER 180 N -2.18 -0.51 -0.05 -2.66 0.15 -1.26 -1.66 113.70 105.53 3kxf s SER 180 Ca -0.04 -0.06 0.19 0.00 0.70 0.00 0.00 55.95 56.73 3kxf s SER 180 Cb -0.02 0.58 0.61 0.00 -1.71 0.00 0.00 66.02 65.48 3kxf s SER 180 CO -0.05 -0.95 1.52 -0.46 1.20 0.00 0.00 173.24 174.50 3kxf n ASN 181 N -0.35 4.08 -4.75 5.45 0.23 -1.26 -4.61 115.26 114.06 3kxf n ASN 181 Ca -0.17 -2.22 -0.41 0.00 -0.53 0.00 0.00 54.58 51.25 3kxf n ASN 181 Cb 0.65 -0.48 -0.03 0.00 -2.08 0.00 0.00 39.78 37.83 3kxf n ASN 181 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3kxf s LYS 182 N -1.41 4.48 0.31 -3.83 -0.14 -1.26 -4.94 119.74 112.95 3kxf s LYS 182 Ca 0.45 1.95 0.26 0.00 -1.36 0.00 0.00 55.97 57.26 3kxf s LYS 182 Cb 0.26 -3.20 1.05 0.00 -1.68 0.00 0.00 37.83 34.26 3kxf s LYS 182 CO 0.26 -0.08 1.76 0.77 -0.76 0.00 0.00 175.35 177.30 3kxf h SER 183 N 4.75 0.00 0.19 2.83 0.02 -1.99 -2.57 113.55 116.78 3kxf h SER 183 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3kxf h SER 183 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3kxf h SER 183 CO 0.72 0.00 -0.83 -0.90 -1.14 0.00 0.00 176.83 174.68 3kxf n ASP 184 N -2.40 0.80 -4.55 3.07 5.75 -1.26 -4.91 116.55 113.04 3kxf n ASP 184 Ca 0.02 -0.69 -0.37 0.00 -0.01 0.00 0.00 54.79 53.73 3kxf n ASP 184 Cb 0.25 0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 41.05 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 -3.01 1.32 -0.06 2.11 2.19 -0.97 -4.96 117.98 114.60 3kxf s PHE 185 Ca 0.09 1.21 0.00 0.00 0.33 0.00 0.00 56.93 58.56 3kxf s PHE 185 Cb 0.16 -3.80 -0.03 0.00 -1.31 0.00 0.00 43.02 38.04 3kxf s PHE 185 CO 0.81 -2.50 -0.03 0.00 1.83 0.00 0.00 175.22 175.33 3kxf s ALA 186 N 10.75 3.14 -0.26 11.12 0.00 -1.26 -5.00 121.76 140.26 3kxf s ALA 186 Ca 0.85 -0.88 0.25 0.00 0.00 0.00 0.00 51.96 52.19 3kxf s ALA 186 Cb -0.16 -1.33 1.17 0.00 0.00 0.00 0.00 23.12 22.80 3kxf s ALA 186 CO 0.24 0.59 1.76 0.00 0.00 0.00 0.00 175.76 178.36 3kxf h ALA 188 N 2.13 0.99 0.00 0.00 0.00 -1.94 -3.33 119.26 117.12 3kxf h ALA 188 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3kxf h ALA 188 Cb 0.23 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.81 3kxf h ALA 188 CO 0.00 0.66 -0.67 0.27 0.00 0.00 0.00 179.25 179.50 3kxf n ASN 189 N -3.72 1.48 0.08 0.00 6.94 -0.22 -4.82 115.26 115.00 3kxf n ASN 189 Ca -0.01 -3.28 -0.23 0.00 -0.02 0.00 0.00 54.58 51.05 3kxf n ASN 189 Cb 0.57 -0.45 -0.15 0.00 -2.36 0.00 0.00 39.78 37.39 3kxf n ASN 189 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kxf h ALA 190 N 0.99 -0.02 -0.62 -2.53 0.00 -1.38 -3.37 119.26 112.33 3kxf h ALA 190 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3kxf h ALA 190 Cb 1.30 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3kxf h ALA 190 CO 0.03 0.70 0.00 1.19 0.00 0.00 0.00 179.25 181.17 3kxf n PHE 191 N -3.84 1.52 -0.31 0.00 3.01 -1.26 -4.64 117.46 111.93 3kxf n PHE 191 Ca -0.19 -0.59 0.16 0.00 1.01 0.00 0.00 57.45 57.84 3kxf n PHE 191 Cb 0.98 -0.27 0.34 0.00 -0.01 0.00 0.00 39.48 40.52 3kxf n PHE 191 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3kxf h ASN 192 N 3.97 -0.07 0.00 4.37 2.35 -1.92 -2.42 115.58 121.86 3kxf h ASN 192 Ca 0.00 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3kxf h ASN 192 Cb 1.48 0.32 0.00 0.00 0.05 0.00 0.00 38.32 40.17 3kxf h ASN 192 CO 0.26 -0.25 0.00 -3.20 -1.65 0.00 0.00 177.43 172.59 3kxf n ASN 193 N -5.30 4.25 -3.89 5.81 4.05 -1.26 -4.75 115.26 114.17 3kxf n ASN 193 Ca 0.24 -2.12 -0.11 0.00 0.45 0.00 0.00 54.58 53.04 3kxf n ASN 193 Cb 0.80 -0.89 -0.11 0.00 1.23 0.00 0.00 39.78 40.81 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 1.89 0.04 -0.76 1.20 0.01 -0.91 -4.43 113.70 110.74 3kxf s SER 194 Ca 0.00 -0.15 -0.21 0.00 1.31 0.00 0.00 55.95 56.90 3kxf s SER 194 Cb 0.00 0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.50 3kxf s SER 194 CO 0.00 -0.23 1.01 -0.63 0.41 0.00 0.00 173.24 173.79 3kxf s ILE 195 N -0.91 4.51 0.13 1.44 1.01 -1.26 -5.01 121.20 121.11 3kxf s ILE 195 Ca -0.10 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 59.78 3kxf s ILE 195 Cb -0.06 -4.71 -0.04 0.00 0.01 0.00 0.00 42.46 37.67 3kxf s ILE 195 CO 0.00 -1.45 -0.27 0.27 0.00 0.00 0.00 174.94 173.49 3kxf s ILE 196 N 3.44 2.25 -0.04 2.92 -4.36 -1.26 -4.48 121.20 119.66 3kxf s ILE 196 Ca 0.25 -1.74 -0.38 0.00 -0.26 0.00 0.00 60.65 58.53 3kxf s ILE 196 Cb -0.13 -1.99 -0.16 0.00 1.25 0.00 0.00 42.46 41.43 3kxf s ILE 196 CO 0.02 0.10 1.50 -0.81 0.24 0.00 0.00 174.94 176.00 3kxf n PRO 197 N 0.96 1.21 0.00 0.37 -0.04 -1.26 -4.82 135.00 131.42 3kxf n PRO 197 Ca -0.18 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3kxf n PRO 197 Cb 0.53 -2.11 0.57 0.00 -0.04 0.00 0.00 33.50 32.46 3kxf n PRO 197 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kxf n GLU 198 N 3.66 0.44 -0.98 0.54 1.02 -1.26 -2.28 120.64 121.78 3kxf n GLU 198 Ca 0.21 0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3kxf n GLU 198 Cb 0.17 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.45 3kxf n GLU 198 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kxf n ASP 199 N -1.18 5.27 -4.72 1.62 5.75 -1.26 -4.99 116.55 117.03 3kxf n ASP 199 Ca 0.12 -3.10 -0.42 0.00 -0.01 0.00 0.00 54.79 51.38 3kxf n ASP 199 Cb 0.13 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 3kxf n ASP 199 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3kxf s THR 200 N -2.90 3.39 -0.25 2.12 2.01 -0.97 -4.86 115.64 114.18 3kxf s THR 200 Ca 0.55 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 3kxf s THR 200 Cb 0.43 -3.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 3kxf s THR 200 CO 0.15 0.10 1.25 0.12 -0.69 0.00 0.00 174.62 175.55 3kxf s PHE 201 N 0.79 2.83 -0.61 4.92 5.36 -0.08 -4.94 117.98 126.27 3kxf s PHE 201 Ca 0.61 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 57.56 3kxf s PHE 201 Cb -0.36 -3.70 0.16 0.00 -0.34 0.00 0.00 43.02 38.78 3kxf s PHE 201 CO 0.32 -1.52 0.41 -0.06 -1.46 0.00 0.00 175.22 172.91 3kxf s PHE 202 N 3.92 3.37 0.27 10.12 0.40 -1.26 -1.76 117.98 133.04 3kxf s PHE 202 Ca 0.54 -2.81 -0.29 0.00 -0.60 0.00 0.00 56.93 53.77 3kxf s PHE 202 Cb -0.18 -3.13 -0.10 0.00 0.51 0.00 0.00 43.02 40.13 3kxf s PHE 202 CO 0.18 -0.82 1.30 -1.25 0.70 0.00 0.00 175.22 175.32 3kxf s PRO 203 N -0.11 4.39 0.00 0.24 0.04 -1.26 -5.08 135.00 133.23 3kxf s PRO 203 Ca 0.17 2.12 0.20 0.00 0.04 0.00 0.00 61.00 63.53 3kxf s PRO 203 Cb -0.21 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.36 3kxf s PRO 203 CO -0.03 -0.19 1.15 -1.13 0.04 0.00 0.00 177.00 176.84