#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd9 s LEU 3 N 0.00 3.74 -0.30 1.04 1.98 -1.26 -4.71 118.68 119.17 3kd9 s LEU 3 Ca 0.00 -0.37 -0.15 0.00 -2.89 0.00 0.00 54.13 50.72 3kd9 s LEU 3 Cb 0.00 -2.61 0.15 0.00 0.66 0.00 0.00 46.19 44.39 3kd9 s LEU 3 CO 0.00 -0.61 0.93 -0.54 -1.89 0.00 0.00 176.35 174.24 3kd9 s LYS 4 N -4.25 0.37 -0.26 1.98 -0.14 -1.26 -5.05 119.74 111.14 3kd9 s LYS 4 Ca 0.50 0.82 -0.19 0.00 -1.36 0.00 0.00 55.97 55.74 3kd9 s LYS 4 Cb -0.09 0.38 -0.02 0.00 -1.68 0.00 0.00 37.83 36.41 3kd9 s LYS 4 CO 0.31 -0.11 0.55 0.15 -0.76 0.00 0.00 175.35 175.49 3kd9 s LYS 5 N 2.16 4.09 -0.17 1.68 1.02 -1.26 -2.97 119.74 124.29 3kd9 s LYS 5 Ca -0.05 0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.30 3kd9 s LYS 5 Cb -0.06 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 3kd9 s LYS 5 CO -0.17 -0.36 -0.06 0.08 -0.92 0.00 0.00 175.35 173.92 3kd9 s VAL 6 N 2.33 3.55 -0.11 3.17 1.01 -0.61 -0.23 120.40 129.51 3kd9 s VAL 6 Ca 0.23 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3kd9 s VAL 6 Cb -0.16 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3kd9 s VAL 6 CO 0.09 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 3kd9 s VAL 7 N 0.71 2.06 -0.25 2.92 1.01 -0.47 -1.51 120.40 124.87 3kd9 s VAL 7 Ca -0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3kd9 s VAL 7 Cb -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3kd9 s VAL 7 CO 0.02 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 174.99 3kd9 s ILE 8 N 0.48 2.89 -0.87 2.22 1.01 0.22 -1.63 121.20 125.52 3kd9 s ILE 8 Ca -0.15 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.32 3kd9 s ILE 8 Cb -0.17 -2.46 0.15 0.00 0.01 0.00 0.00 42.46 39.99 3kd9 s ILE 8 CO 0.06 0.21 1.01 -0.63 0.00 0.00 0.00 174.94 175.58 3kd9 s ILE 9 N 1.33 4.94 0.00 2.92 1.01 -0.62 -1.23 121.20 129.55 3kd9 s ILE 9 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.93 3kd9 s ILE 9 Cb -0.16 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.62 3kd9 s ILE 9 CO -0.04 -1.36 0.00 0.61 0.00 0.00 0.00 174.94 174.14 3kd9 n GLY 10 N 5.09 -1.86 0.00 6.18 0.00 -1.19 -0.50 105.19 112.91 3kd9 n GLY 10 Ca 0.18 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3kd9 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 11 N 0.00 3.07 0.00 -0.02 0.00 -1.26 -4.31 105.19 102.66 3kd9 n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kd9 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 12 N -0.50 -1.66 0.37 -0.02 0.00 -1.26 -2.55 105.19 99.57 3kd9 n GLY 12 Ca 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 3kd9 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd9 h ALA 13 N -2.00 -0.27 -0.30 4.61 0.00 -1.92 -2.16 119.26 117.22 3kd9 h ALA 13 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3kd9 h ALA 13 Cb 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3kd9 h ALA 13 CO 0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 179.25 178.28 3kd9 h ALA 14 N 0.66 0.43 -0.16 0.00 0.00 -1.89 -2.77 119.26 115.52 3kd9 h ALA 14 Ca 0.17 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3kd9 h ALA 14 Cb 0.56 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3kd9 h ALA 14 CO -0.60 0.36 -0.10 0.78 0.00 0.00 0.00 179.25 179.69 3kd9 h GLY 15 N 0.41 0.03 1.69 0.00 0.00 -1.69 -1.49 103.07 102.01 3kd9 h GLY 15 Ca 0.06 0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.40 3kd9 h GLY 15 CO 0.05 -0.12 -0.41 -0.33 0.00 0.00 0.00 176.54 175.73 3kd9 h MET 16 N -0.10 0.35 -0.46 4.80 2.86 -1.48 -0.88 114.93 120.02 3kd9 h MET 16 Ca 0.10 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3kd9 h MET 16 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3kd9 h MET 16 CO -0.23 0.71 0.13 0.77 1.06 0.00 0.00 176.91 179.35 3kd9 h SER 17 N 0.29 0.69 0.37 1.22 0.02 -1.20 -0.74 113.55 114.20 3kd9 h SER 17 Ca 0.03 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3kd9 h SER 17 Cb 0.86 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3kd9 h SER 17 CO 0.07 0.72 -0.20 0.00 -1.14 0.00 0.00 176.83 176.28 3kd9 h ALA 18 N 0.99 -0.53 -0.47 3.77 0.00 -1.06 -1.58 119.26 120.37 3kd9 h ALA 18 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kd9 h ALA 18 Cb 0.29 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3kd9 h ALA 18 CO -0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 179.25 178.18 3kd9 h ALA 19 N 0.09 0.02 -0.80 0.00 0.00 -0.98 -1.52 119.26 116.08 3kd9 h ALA 19 Ca -0.05 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kd9 h ALA 19 Cb 0.42 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3kd9 h ALA 19 CO 0.06 -0.62 0.36 1.03 0.00 0.00 0.00 179.25 180.08 3kd9 h SER 20 N -0.16 1.06 -0.32 0.00 0.87 -1.00 -1.35 113.55 112.66 3kd9 h SER 20 Ca 0.21 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3kd9 h SER 20 Cb 0.50 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3kd9 h SER 20 CO -0.57 0.92 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.55 3kd9 h ARG 21 N 1.14 0.57 0.00 2.24 9.65 -0.61 -1.42 114.38 125.96 3kd9 h ARG 21 Ca 0.27 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.86 3kd9 h ARG 21 Cb 0.15 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3kd9 h ARG 21 CO -0.03 0.71 -0.51 -0.24 2.80 0.00 0.00 179.97 182.70 3kd9 h VAL 22 N 0.37 1.33 -0.01 0.20 3.04 -1.21 -2.19 116.25 117.78 3kd9 h VAL 22 Ca 0.09 -1.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.00 3kd9 h VAL 22 Cb 0.46 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3kd9 h VAL 22 CO 0.02 0.50 -0.02 0.50 -1.01 0.00 0.00 177.57 177.55 3kd9 h LYS 23 N 0.00 0.03 0.00 4.17 1.63 -1.12 0.10 116.57 121.38 3kd9 h LYS 23 Ca -0.01 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3kd9 h LYS 23 Cb 0.93 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 3kd9 h LYS 23 CO 0.07 0.61 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.56 3kd9 h ARG 24 N -0.53 0.00 0.00 1.90 2.43 -1.22 -1.09 114.38 115.87 3kd9 h ARG 24 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3kd9 h ARG 24 Cb 0.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3kd9 h ARG 24 CO 0.01 0.02 -1.18 -0.07 -1.51 0.00 0.00 179.97 177.24 3kd9 h LEU 25 N 0.00 0.00 -6.22 3.80 3.38 -1.36 -3.41 115.31 111.51 3kd9 h LEU 25 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3kd9 h LEU 25 Cb 0.04 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.40 3kd9 h LEU 25 CO 0.00 0.50 -0.98 0.29 0.09 0.00 0.00 178.44 178.34 3kd9 n LYS 26 N -2.93 0.74 -0.09 1.13 4.76 0.35 -4.96 118.16 117.16 3kd9 n LYS 26 Ca -0.06 -3.41 0.11 0.00 -2.87 0.00 0.00 58.31 52.08 3kd9 n LYS 26 Cb 0.79 -1.54 0.47 0.00 -1.84 0.00 0.00 35.03 32.91 3kd9 n LYS 26 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3kd9 h PRO 27 N 4.70 0.45 0.00 1.97 0.11 -1.47 -1.18 132.00 136.58 3kd9 h PRO 27 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kd9 h PRO 27 Cb 0.86 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3kd9 h PRO 27 CO 0.48 0.30 0.00 -1.91 -0.21 0.00 0.00 178.00 176.65 3kd9 n GLU 28 N -4.47 0.13 -3.16 1.05 2.13 -1.26 -4.80 120.64 110.25 3kd9 n GLU 28 Ca 0.09 0.26 -0.34 0.00 0.66 0.00 0.00 57.16 57.83 3kd9 n GLU 28 Cb 0.33 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.27 3kd9 n GLU 28 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3kd9 s TRP 29 N -3.13 3.48 -0.52 4.31 0.52 -0.45 -4.78 118.94 118.37 3kd9 s TRP 29 Ca 0.08 1.24 -0.20 0.00 0.02 0.00 0.00 56.10 57.24 3kd9 s TRP 29 Cb 0.12 -2.53 0.06 0.00 -1.15 0.00 0.00 33.47 29.96 3kd9 s TRP 29 CO 0.43 0.21 0.71 0.34 0.02 0.00 0.00 176.95 178.66 3kd9 s ASP 30 N -2.03 6.25 -0.19 2.95 2.15 -1.16 -4.98 116.67 119.65 3kd9 s ASP 30 Ca 0.49 -0.79 -0.07 0.00 0.43 0.00 0.00 52.55 52.61 3kd9 s ASP 30 Cb -0.13 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.13 3kd9 s ASP 30 CO 0.19 -0.99 0.05 -0.69 -0.17 0.00 0.00 175.17 173.56 3kd9 s VAL 31 N 2.97 4.52 0.16 1.11 1.01 -1.26 -1.58 120.40 127.33 3kd9 s VAL 31 Ca 0.19 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.14 3kd9 s VAL 31 Cb -0.18 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3kd9 s VAL 31 CO 0.14 0.43 -0.22 -0.54 0.00 0.00 0.00 175.10 174.91 3kd9 s LYS 32 N 0.67 1.34 -0.05 2.72 1.02 -0.57 -1.12 119.74 123.76 3kd9 s LYS 32 Ca 0.02 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.63 3kd9 s LYS 32 Cb -0.13 -1.58 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3kd9 s LYS 32 CO 0.02 0.34 -0.04 0.08 -0.92 0.00 0.00 175.35 174.83 3kd9 s VAL 33 N -1.63 0.58 -0.37 3.17 1.01 -1.00 -0.61 120.40 121.56 3kd9 s VAL 33 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 3kd9 s VAL 33 Cb -0.08 -0.62 0.09 0.00 0.00 0.00 0.00 36.38 35.77 3kd9 s VAL 33 CO 0.07 0.25 0.14 -0.36 0.00 0.00 0.00 175.10 175.20 3kd9 s PHE 34 N 1.11 3.51 -0.26 5.22 0.08 -0.37 -0.45 117.98 126.83 3kd9 s PHE 34 Ca -0.08 -2.30 -0.11 0.00 0.12 0.00 0.00 56.93 54.56 3kd9 s PHE 34 Cb -0.14 -2.90 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 3kd9 s PHE 34 CO -0.01 -0.92 0.20 -2.00 -0.10 0.00 0.00 175.22 172.38 3kd9 s GLU 35 N 1.16 4.00 0.00 0.44 -6.30 -0.38 -3.14 118.70 114.48 3kd9 s GLU 35 Ca 0.05 -0.27 0.05 0.00 -2.50 0.00 0.00 54.97 52.30 3kd9 s GLU 35 Cb -0.22 -3.62 0.29 0.00 0.00 0.00 0.00 34.13 30.59 3kd9 s GLU 35 CO -0.03 -0.10 0.80 0.00 0.02 0.00 0.00 175.26 175.94 3kd9 n ALA 36 N 4.81 2.08 -4.26 6.30 0.00 -1.11 -0.07 120.51 128.26 3kd9 n ALA 36 Ca -0.14 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3kd9 n ALA 36 Cb 0.52 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 3kd9 n ALA 36 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3kd9 n THR 37 N -0.64 0.00 1.05 0.00 5.66 -1.26 -4.54 114.28 114.55 3kd9 n THR 37 Ca 0.04 -1.85 0.12 0.00 -3.05 0.00 0.00 64.05 59.31 3kd9 n THR 37 Cb 0.02 0.66 0.29 0.00 -1.55 0.00 0.00 70.33 69.74 3kd9 n THR 37 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3kd9 n GLU 38 N -0.72 0.16 -3.93 1.09 2.13 -1.26 -0.19 120.64 117.92 3kd9 n GLU 38 Ca -0.05 -0.09 -0.22 0.00 0.66 0.00 0.00 57.16 57.46 3kd9 n GLU 38 Cb 0.48 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.64 3kd9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3kd9 s TRP 39 N -2.90 2.79 0.05 4.31 0.51 -1.26 -4.93 118.94 117.51 3kd9 s TRP 39 Ca 0.14 -0.36 -0.05 0.00 -2.12 0.00 0.00 56.10 53.70 3kd9 s TRP 39 Cb 0.18 -1.77 -0.01 0.00 -0.81 0.00 0.00 33.47 31.06 3kd9 s TRP 39 CO 0.66 0.22 0.09 0.08 -0.51 0.00 0.00 176.95 177.50 3kd9 s VAL 40 N -2.38 0.15 0.00 4.03 1.01 -1.26 -4.88 120.40 117.07 3kd9 s VAL 40 Ca 0.40 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3kd9 s VAL 40 Cb -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3kd9 s VAL 40 CO 0.25 -0.70 0.00 -1.20 0.00 0.00 0.00 175.10 173.44 3kd9 n SER 41 N 0.39 0.00 0.00 3.32 7.64 -1.06 -5.00 113.62 118.92 3kd9 n SER 41 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 3kd9 n SER 41 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3kd9 n SER 41 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3kd9 n GLU 66 N 0.00 -0.02 -2.91 1.43 0.00 -1.26 -4.69 120.64 113.20 3kd9 n GLU 66 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 57.00 3kd9 n GLU 66 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 31.44 28.67 3kd9 n GLU 66 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3kd9 n VAL 67 N -2.09 -0.11 0.12 3.84 0.24 -1.26 -4.70 118.33 114.38 3kd9 n VAL 67 Ca 0.00 -0.05 0.15 0.00 -2.04 0.00 0.00 64.34 62.40 3kd9 n VAL 67 Cb 0.00 -0.26 0.68 0.00 -1.47 0.00 0.00 33.84 32.80 3kd9 n VAL 67 CO 0.00 0.00 0.00 2.19 -2.14 0.00 0.00 176.83 176.88 3kd9 h PHE 68 N -0.32 0.00 -1.91 6.34 -0.00 -2.02 -2.48 116.94 116.54 3kd9 h PHE 68 Ca -0.26 0.00 0.56 0.00 -0.00 0.00 0.00 57.97 58.27 3kd9 h PHE 68 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 36.45 3kd9 h PHE 68 CO 0.28 0.00 1.37 0.82 -0.00 0.00 0.00 178.31 180.78 3kd9 h ILE 69 N 0.00 0.02 -0.65 0.88 5.03 -1.89 0.28 117.51 121.19 3kd9 h ILE 69 Ca 0.14 -0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.99 3kd9 h ILE 69 Cb 0.57 0.02 -0.08 0.00 -3.03 0.00 0.00 36.82 34.30 3kd9 h ILE 69 CO -0.00 0.00 0.21 0.11 -0.68 0.00 0.00 178.15 177.79 3kd9 h LYS 70 N 0.00 0.35 -0.05 2.37 1.57 -1.49 0.39 116.57 119.71 3kd9 h LYS 70 Ca 0.92 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 59.58 3kd9 h LYS 70 Cb 3.66 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 35.88 3kd9 h LYS 70 CO -0.04 0.23 -0.46 1.57 -0.57 0.00 0.00 179.45 180.19 3kd9 h LYS 71 N 0.36 0.12 0.00 3.15 -0.00 -0.69 -2.20 116.57 117.31 3kd9 h LYS 71 Ca 0.34 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.65 60.92 3kd9 h LYS 71 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.71 3kd9 h LYS 71 CO -0.37 0.56 -0.05 0.00 -0.00 0.00 0.00 179.45 179.59 3kd9 h ARG 72 N 0.10 0.00 0.00 0.07 -0.00 -0.28 -3.45 114.38 110.81 3kd9 h ARG 72 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kd9 h ARG 72 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.82 3kd9 h ARG 72 CO 0.07 0.05 0.00 0.41 0.00 0.00 0.00 179.97 180.50 3kd9 n GLY 73 N -0.85 1.00 3.80 0.04 0.00 -0.29 -4.97 105.19 103.93 3kd9 n GLY 73 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3kd9 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd9 s ILE 74 N -2.00 5.16 -1.17 -0.61 1.01 -0.85 -4.65 121.20 118.09 3kd9 s ILE 74 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 3kd9 s ILE 74 Cb 0.00 -3.25 0.23 0.00 0.01 0.00 0.00 42.46 39.45 3kd9 s ILE 74 CO 0.00 0.59 1.30 -0.67 0.00 0.00 0.00 174.94 176.16 3kd9 n ASP 75 N 2.28 5.40 -4.74 3.58 2.03 -0.27 -3.58 116.55 121.25 3kd9 n ASP 75 Ca -0.19 -3.02 -0.41 0.00 0.52 0.00 0.00 54.79 51.69 3kd9 n ASP 75 Cb 0.54 -1.47 -0.04 0.00 -0.72 0.00 0.00 41.12 39.43 3kd9 n ASP 75 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kd9 s LEU 76 N 0.02 4.51 -0.26 -2.67 2.96 -1.26 -2.36 118.68 119.62 3kd9 s LEU 76 Ca 0.37 2.06 0.01 0.00 -0.22 0.00 0.00 54.13 56.35 3kd9 s LEU 76 Cb -0.06 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.10 3kd9 s LEU 76 CO -0.03 -0.16 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.82 3kd9 s HIS 77 N -0.39 2.53 0.33 5.38 3.76 0.40 -4.93 115.29 122.36 3kd9 s HIS 77 Ca 0.48 -1.96 -0.06 0.00 -0.15 0.00 0.00 55.06 53.37 3kd9 s HIS 77 Cb -0.29 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 3kd9 s HIS 77 CO 0.35 -0.82 0.62 -0.51 -0.85 0.00 0.00 174.74 173.52 3kd9 s LEU 78 N 1.34 3.99 -1.41 0.89 1.02 -1.26 -1.25 118.68 122.00 3kd9 s LEU 78 Ca -0.01 0.82 -0.10 0.00 0.02 0.00 0.00 54.13 54.86 3kd9 s LEU 78 Cb -0.19 -3.66 0.07 0.00 0.02 0.00 0.00 46.19 42.44 3kd9 s LEU 78 CO -0.09 -0.26 0.64 0.59 0.02 0.00 0.00 176.35 177.25 3kd9 n ASN 79 N -1.10 -4.34 -4.14 2.29 4.13 0.90 -4.89 115.26 108.11 3kd9 n ASN 79 Ca -0.01 -0.50 -0.34 0.00 1.68 0.00 0.00 54.58 55.41 3kd9 n ASN 79 Cb 0.54 -3.54 -0.14 0.00 -1.54 0.00 0.00 39.78 35.10 3kd9 n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kd9 s ALA 80 N -3.07 2.78 -0.18 5.41 0.00 0.31 -4.38 121.76 122.63 3kd9 s ALA 80 Ca 0.47 -1.83 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 3kd9 s ALA 80 Cb -0.24 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 3kd9 s ALA 80 CO 0.58 -1.30 0.13 -2.00 0.00 0.00 0.00 175.76 173.17 3kd9 s GLU 81 N 1.20 4.00 -0.16 0.00 2.12 -1.03 -2.76 118.70 122.07 3kd9 s GLU 81 Ca -0.05 -0.20 -0.22 0.00 0.36 0.00 0.00 54.97 54.86 3kd9 s GLU 81 Cb -0.20 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3kd9 s GLU 81 CO -0.02 0.42 0.68 0.08 -0.54 0.00 0.00 175.26 175.88 3kd9 s VAL 82 N 0.00 5.00 -0.14 3.70 1.01 -1.26 -0.26 120.40 128.45 3kd9 s VAL 82 Ca 0.10 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.42 3kd9 s VAL 82 Cb -0.11 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3kd9 s VAL 82 CO -0.00 0.13 0.39 0.00 0.00 0.00 0.00 175.10 175.61 3kd9 n ILE 83 N 4.49 0.00 -3.63 2.22 0.13 -0.04 -4.98 119.36 117.55 3kd9 n ILE 83 Ca -0.00 -0.49 -0.12 0.00 -1.10 0.00 0.00 62.75 61.04 3kd9 n ILE 83 Cb 0.50 1.02 -0.07 0.00 -0.84 0.00 0.00 39.64 40.25 3kd9 n ILE 83 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3kd9 s GLU 84 N -0.42 0.74 -0.01 9.51 2.12 -1.16 -5.00 118.70 124.47 3kd9 s GLU 84 Ca 0.01 0.92 -0.04 0.00 0.36 0.00 0.00 54.97 56.22 3kd9 s GLU 84 Cb 0.01 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.74 3kd9 s GLU 84 CO 0.03 -0.09 0.09 0.54 -0.54 0.00 0.00 175.26 175.29 3kd9 s VAL 85 N 0.47 0.05 0.22 3.70 0.11 -1.26 -0.13 120.40 123.56 3kd9 s VAL 85 Ca -0.00 -0.43 -0.15 0.00 -2.93 0.00 0.00 61.98 58.48 3kd9 s VAL 85 Cb -0.05 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 3kd9 s VAL 85 CO -0.03 -0.23 0.49 -0.62 -3.33 0.00 0.00 175.10 171.37 3kd9 s ASP 86 N -0.76 -0.14 0.09 3.54 -1.08 -0.71 -4.52 116.67 113.09 3kd9 s ASP 86 Ca -0.08 -0.74 -0.35 0.00 -0.52 0.00 0.00 52.55 50.86 3kd9 s ASP 86 Cb -0.05 0.57 -0.14 0.00 -1.46 0.00 0.00 42.92 41.84 3kd9 s ASP 86 CO 0.00 -1.09 1.56 0.35 0.52 0.00 0.00 175.17 176.51 3kd9 n THR 87 N -0.35 0.08 0.00 1.71 -2.24 -1.26 -1.46 114.28 110.77 3kd9 n THR 87 Ca -0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kd9 n THR 87 Cb 0.62 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 3kd9 n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd9 n GLY 88 N 3.33 2.99 3.29 3.38 0.00 -1.25 -4.97 105.19 111.94 3kd9 n GLY 88 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3kd9 n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kd9 s TYR 89 N -1.70 0.67 -0.09 1.61 -0.85 -0.53 0.13 117.35 116.58 3kd9 s TYR 89 Ca 0.00 -1.01 -0.18 0.00 -0.52 0.00 0.00 57.07 55.36 3kd9 s TYR 89 Cb 0.00 -0.24 0.04 0.00 0.38 0.00 0.00 41.96 42.14 3kd9 s TYR 89 CO 0.00 -0.68 0.43 0.54 -1.52 0.00 0.00 175.55 174.33 3kd9 s VAL 90 N -4.03 0.02 -0.17 -3.49 0.11 0.22 -1.74 120.40 111.32 3kd9 s VAL 90 Ca 0.24 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3kd9 s VAL 90 Cb 0.05 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 3kd9 s VAL 90 CO 0.04 -0.11 -0.11 -0.60 -3.33 0.00 0.00 175.10 170.99 3kd9 s ARG 91 N -0.65 3.30 -0.00 1.54 3.52 0.81 0.02 118.95 127.49 3kd9 s ARG 91 Ca -0.07 -0.70 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 3kd9 s ARG 91 Cb -0.03 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.58 3kd9 s ARG 91 CO 0.04 -0.03 -0.21 0.54 -0.81 0.00 0.00 175.30 174.83 3kd9 s VAL 92 N 0.98 1.66 -0.35 7.11 0.11 -0.42 -0.86 120.40 128.64 3kd9 s VAL 92 Ca -0.02 -0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 58.00 3kd9 s VAL 92 Cb -0.15 -1.40 0.03 0.00 -1.53 0.00 0.00 36.38 33.34 3kd9 s VAL 92 CO -0.01 0.42 0.13 -0.60 -3.33 0.00 0.00 175.10 171.71 3kd9 s ARG 93 N -0.63 2.73 -0.03 1.54 3.52 0.64 -1.87 118.95 124.85 3kd9 s ARG 93 Ca 0.08 -1.12 0.02 0.00 -0.13 0.00 0.00 55.73 54.58 3kd9 s ARG 93 Cb -0.08 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3kd9 s ARG 93 CO -0.00 -0.65 -0.06 -2.00 -0.81 0.00 0.00 175.30 171.77 3kd9 s GLU 94 N 1.46 0.77 -1.26 5.12 2.12 -0.77 -2.45 118.70 123.69 3kd9 s GLU 94 Ca -0.00 -0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 3kd9 s GLU 94 Cb -0.19 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.45 3kd9 s GLU 94 CO 0.04 0.03 0.92 0.09 -0.54 0.00 0.00 175.26 175.80 3kd9 n ASN 95 N 3.55 -2.22 0.00 -1.70 5.03 -1.26 -2.34 115.26 116.33 3kd9 n ASN 95 Ca -0.21 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.57 3kd9 n ASN 95 Cb 0.53 -4.75 0.00 0.00 -1.02 0.00 0.00 39.78 34.54 3kd9 n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kd9 n GLY 96 N -1.36 0.68 3.68 7.41 0.00 -1.26 -4.91 105.19 109.43 3kd9 n GLY 96 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3kd9 n GLY 96 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kd9 s GLY 97 N 0.00 1.63 -0.18 -0.02 0.00 -0.99 -5.05 107.32 102.71 3kd9 s GLY 97 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 3kd9 s GLY 97 CO 0.00 0.60 0.04 1.85 0.00 0.00 0.00 173.10 175.59 3kd9 s GLU 98 N -4.80 0.55 0.23 2.90 -6.30 -1.26 -1.85 118.70 108.16 3kd9 s GLU 98 Ca 0.64 -0.32 0.10 0.00 -2.50 0.00 0.00 54.97 52.89 3kd9 s GLU 98 Cb -0.20 -1.98 -0.05 0.00 0.00 0.00 0.00 34.13 31.91 3kd9 s GLU 98 CO 0.58 -0.62 -0.20 0.15 0.02 0.00 0.00 175.26 175.19 3kd9 s LYS 99 N 1.91 1.51 -0.05 4.30 -0.14 -0.78 -5.00 119.74 121.50 3kd9 s LYS 99 Ca -0.00 -1.62 0.05 0.00 -1.36 0.00 0.00 55.97 53.04 3kd9 s LYS 99 Cb -0.17 -1.59 -0.01 0.00 -1.68 0.00 0.00 37.83 34.39 3kd9 s LYS 99 CO -0.08 0.31 -0.20 -1.54 -0.76 0.00 0.00 175.35 173.08 3kd9 s SER 100 N -3.13 2.48 0.19 2.83 1.04 -1.26 -1.31 113.70 114.53 3kd9 s SER 100 Ca 0.24 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.36 3kd9 s SER 100 Cb -0.05 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 3kd9 s SER 100 CO 0.11 0.19 -0.17 -0.31 0.98 0.00 0.00 173.24 174.03 3kd9 s TYR 101 N -0.06 2.46 -0.05 5.02 2.02 0.10 -4.93 117.35 121.92 3kd9 s TYR 101 Ca -0.03 -0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 3kd9 s TYR 101 Cb -0.12 -1.21 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 3kd9 s TYR 101 CO 0.03 0.50 0.29 -2.00 -1.57 0.00 0.00 175.55 172.80 3kd9 s GLU 102 N -2.73 3.70 -0.00 -0.62 2.12 -1.26 -0.61 118.70 119.30 3kd9 s GLU 102 Ca 0.23 0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 3kd9 s GLU 102 Cb -0.08 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 3kd9 s GLU 102 CO 0.12 0.73 0.03 1.67 -0.54 0.00 0.00 175.26 177.27 3kd9 s TRP 103 N -1.07 0.07 -0.24 5.30 1.48 0.34 -4.79 118.94 120.04 3kd9 s TRP 103 Ca 0.20 -0.15 0.05 0.00 -1.06 0.00 0.00 56.10 55.14 3kd9 s TRP 103 Cb -0.15 -0.07 -0.18 0.00 -1.16 0.00 0.00 33.47 31.92 3kd9 s TRP 103 CO 0.09 -0.12 -0.16 -0.25 -4.06 0.00 0.00 176.95 172.45 3kd9 n ASP 104 N 2.30 1.66 -4.05 -2.66 8.00 0.68 -3.96 116.55 118.52 3kd9 n ASP 104 Ca -0.18 -0.11 -0.25 0.00 0.71 0.00 0.00 54.79 54.96 3kd9 n ASP 104 Cb 0.57 -0.11 -0.17 0.00 -0.02 0.00 0.00 41.12 41.40 3kd9 n ASP 104 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kd9 s TYR 105 N -2.49 1.57 0.05 1.24 2.02 -1.14 -4.82 117.35 113.79 3kd9 s TYR 105 Ca -0.29 -0.58 0.09 0.00 -0.37 0.00 0.00 57.07 55.93 3kd9 s TYR 105 Cb 0.08 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 3kd9 s TYR 105 CO 0.62 -0.28 -0.25 -1.17 -1.57 0.00 0.00 175.55 172.91 3kd9 s LEU 106 N 0.57 2.18 -0.13 -1.29 2.96 -0.57 -1.36 118.68 121.05 3kd9 s LEU 106 Ca -0.14 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.17 3kd9 s LEU 106 Cb -0.16 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.38 3kd9 s LEU 106 CO 0.04 0.22 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.57 3kd9 s VAL 107 N -0.83 0.81 -0.39 1.68 1.01 -0.65 0.06 120.40 122.08 3kd9 s VAL 107 Ca 0.11 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 3kd9 s VAL 107 Cb -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3kd9 s VAL 107 CO 0.02 0.20 0.99 -0.36 0.00 0.00 0.00 175.10 175.95 3kd9 s PHE 108 N 1.78 3.02 -0.16 5.22 0.08 0.57 -1.59 117.98 126.89 3kd9 s PHE 108 Ca 0.03 0.77 0.24 0.00 0.12 0.00 0.00 56.93 58.09 3kd9 s PHE 108 Cb -0.14 -3.84 0.48 0.00 -0.57 0.00 0.00 43.02 38.95 3kd9 s PHE 108 CO -0.07 -0.94 1.14 0.00 -0.10 0.00 0.00 175.22 175.25 3kd9 n ALA 109 N 7.04 2.51 0.20 5.36 0.00 0.34 -1.27 120.51 134.69 3kd9 n ALA 109 Ca 0.09 -2.58 -0.01 0.00 0.00 0.00 0.00 53.44 50.94 3kd9 n ALA 109 Cb 0.48 -0.83 0.13 0.00 0.00 0.00 0.00 19.45 19.24 3kd9 n ALA 109 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kd9 n ASN 110 N -0.20 3.02 0.00 0.00 0.23 -0.79 -4.17 115.26 113.36 3kd9 n ASN 110 Ca 0.06 -2.46 0.00 0.00 -0.53 0.00 0.00 54.58 51.66 3kd9 n ASN 110 Cb 0.93 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3kd9 n ASN 110 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kd9 n GLY 111 N 0.13 0.78 3.62 4.83 0.00 -1.26 -4.67 105.19 108.62 3kd9 n GLY 111 Ca 0.15 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3kd9 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd9 s ALA 112 N -1.34 3.19 0.11 4.61 0.00 -1.26 -1.55 121.76 125.52 3kd9 s ALA 112 Ca 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 51.96 49.70 3kd9 s ALA 112 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3kd9 s ALA 112 CO 0.00 -0.10 -0.02 -1.12 0.00 0.00 0.00 175.76 174.52 3kd9 s SER 113 N -3.72 0.86 0.62 0.00 0.01 0.16 -4.86 113.70 106.78 3kd9 s SER 113 Ca 0.35 -1.09 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 3kd9 s SER 113 Cb 0.09 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 3kd9 s SER 113 CO 0.18 -0.57 1.28 -2.84 0.41 0.00 0.00 173.24 171.70 3kd9 s PRO 114 N -3.92 2.73 -0.28 12.44 0.02 -1.26 -0.83 135.00 143.91 3kd9 s PRO 114 Ca 0.16 2.03 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 3kd9 s PRO 114 Cb 0.06 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.70 3kd9 s PRO 114 CO -0.02 -1.45 -0.01 -1.14 -0.33 0.00 0.00 177.00 174.05 3kd9 s GLN 115 N -3.30 2.69 0.13 5.54 0.74 -0.39 -4.69 119.66 120.38 3kd9 s GLN 115 Ca 0.80 -1.09 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 3kd9 s GLN 115 Cb -0.36 -3.14 -0.06 0.00 1.10 0.00 0.00 33.01 30.54 3kd9 s GLN 115 CO 0.39 -0.51 0.95 0.14 -0.55 0.00 0.00 175.29 175.71 3kd9 s VAL 116 N 1.32 4.43 0.90 1.34 -7.23 -1.26 -4.37 120.40 115.53 3kd9 s VAL 116 Ca -0.02 2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 62.09 3kd9 s VAL 116 Cb -0.18 -4.32 0.13 0.00 0.56 0.00 0.00 36.38 32.57 3kd9 s VAL 116 CO -0.02 0.36 1.09 -2.16 -0.31 0.00 0.00 175.10 174.06 3kd9 s PRO 117 N -0.24 1.24 -0.67 4.82 0.04 -1.26 -4.94 135.00 133.98 3kd9 s PRO 117 Ca 0.45 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 3kd9 s PRO 117 Cb -0.24 -1.80 0.26 0.00 0.04 0.00 0.00 34.50 32.77 3kd9 s PRO 117 CO 0.30 -2.30 2.27 0.00 0.04 0.00 0.00 177.00 177.31 3kd9 n ALA 118 N -3.94 6.40 -2.90 8.56 0.00 -1.26 -4.96 120.51 122.40 3kd9 n ALA 118 Ca 0.08 -3.55 -0.26 0.00 0.00 0.00 0.00 53.44 49.71 3kd9 n ALA 118 Cb 0.54 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 3kd9 n ALA 118 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kd9 s ILE 119 N -3.98 5.09 0.37 0.00 -4.36 -1.26 -5.04 121.20 112.02 3kd9 s ILE 119 Ca 0.54 -0.81 -0.27 0.00 -0.26 0.00 0.00 60.65 59.85 3kd9 s ILE 119 Cb 0.42 -3.62 -0.11 0.00 1.25 0.00 0.00 42.46 40.39 3kd9 s ILE 119 CO -0.28 -0.11 1.33 1.21 0.24 0.00 0.00 174.94 177.33 3kd9 n GLU 120 N -0.54 2.19 -3.10 0.37 2.13 -1.26 -4.23 120.64 116.20 3kd9 n GLU 120 Ca -0.07 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3kd9 n GLU 120 Cb 0.54 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.83 3kd9 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kd9 n GLY 121 N 0.71 0.00 0.09 8.31 0.00 -1.26 -2.50 105.19 110.53 3kd9 n GLY 121 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3kd9 n GLY 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kd9 n VAL 122 N 1.68 1.51 -0.12 1.61 0.31 -1.26 -4.35 118.33 117.70 3kd9 n VAL 122 Ca 0.00 -1.78 0.00 0.00 -0.01 0.00 0.00 64.34 62.55 3kd9 n VAL 122 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3kd9 n VAL 122 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3kd9 n ASN 123 N -1.10 1.69 -4.75 4.52 4.13 -1.26 -4.84 115.26 113.66 3kd9 n ASN 123 Ca 0.11 -1.82 -0.33 0.00 1.68 0.00 0.00 54.58 54.22 3kd9 n ASN 123 Cb 0.56 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.87 3kd9 n ASN 123 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kd9 s LEU 124 N -0.82 3.34 0.00 3.41 1.02 -1.26 -4.82 118.68 119.54 3kd9 s LEU 124 Ca 0.00 2.13 0.00 0.00 0.02 0.00 0.00 54.13 56.28 3kd9 s LEU 124 Cb 0.00 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.65 3kd9 s LEU 124 CO 0.00 -1.92 0.54 1.17 0.02 0.00 0.00 176.35 176.15 3kd9 n LYS 125 N -2.61 0.00 0.02 1.70 4.81 -1.15 -1.55 118.16 119.38 3kd9 n LYS 125 Ca 0.11 0.14 -0.16 0.00 -0.87 0.00 0.00 58.31 57.53 3kd9 n LYS 125 Cb 0.51 -1.58 -0.14 0.00 0.02 0.00 0.00 35.03 33.84 3kd9 n LYS 125 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3kd9 h GLY 126 N 0.00 0.21 -3.51 3.14 0.00 -1.86 -3.42 103.07 97.63 3kd9 h GLY 126 Ca 0.00 -0.53 -0.49 0.00 0.00 0.00 0.00 47.33 46.31 3kd9 h GLY 126 CO 0.00 0.47 0.36 0.14 0.00 0.00 0.00 176.54 177.51 3kd9 s VAL 127 N -2.59 4.03 -0.02 4.60 1.01 -0.59 -1.85 120.40 124.98 3kd9 s VAL 127 Ca -0.12 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.74 3kd9 s VAL 127 Cb 0.07 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3kd9 s VAL 127 CO 0.82 0.37 0.10 -0.36 0.00 0.00 0.00 175.10 176.02 3kd9 s PHE 128 N -1.32 -0.01 -0.08 5.22 0.08 0.23 -4.91 117.98 117.20 3kd9 s PHE 128 Ca 0.45 0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.56 3kd9 s PHE 128 Cb -0.24 -0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3kd9 s PHE 128 CO 0.31 -0.15 -0.15 0.95 -0.10 0.00 0.00 175.22 176.08 3kd9 s THR 129 N -0.61 3.00 -0.96 0.64 -4.23 -1.26 -2.19 115.64 110.02 3kd9 s THR 129 Ca -0.07 -0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 59.49 3kd9 s THR 129 Cb -0.04 -2.20 0.07 0.00 1.34 0.00 0.00 72.50 71.67 3kd9 s THR 129 CO 0.00 0.57 1.35 0.00 -0.54 0.00 0.00 174.62 176.00 3kd9 s ALA 130 N -0.34 2.87 0.00 3.99 0.00 -1.26 -4.79 121.76 122.23 3kd9 s ALA 130 Ca 0.03 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 49.71 3kd9 s ALA 130 Cb -0.13 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.62 3kd9 s ALA 130 CO 0.02 -3.42 0.00 -3.47 0.00 0.00 0.00 175.76 168.89 3kd9 n ASP 131 N 8.37 0.00 -4.54 0.00 -0.08 -1.26 -5.07 116.55 113.97 3kd9 n ASP 131 Ca 0.27 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 53.10 3kd9 n ASP 131 Cb 0.50 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.95 3kd9 n ASP 131 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kd9 n LEU 132 N 0.00 1.04 -0.22 -2.67 7.99 -1.26 -4.81 117.00 117.08 3kd9 n LEU 132 Ca 0.00 1.13 0.31 0.00 -0.01 0.00 0.00 56.01 57.45 3kd9 n LEU 132 Cb 0.00 -1.21 0.69 0.00 -0.11 0.00 0.00 43.42 42.79 3kd9 n LEU 132 CO 0.00 -1.87 1.29 1.55 -1.51 0.00 0.00 177.39 176.84 3kd9 h PRO 133 N 1.64 0.00 -0.26 3.23 0.13 -1.99 -0.68 132.00 134.07 3kd9 h PRO 133 Ca -0.38 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.79 3kd9 h PRO 133 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 3kd9 h PRO 133 CO 0.59 0.00 0.05 -1.00 -0.23 0.00 0.00 178.00 177.41 3kd9 h PRO 134 N 0.00 0.15 -0.89 1.56 0.13 -1.99 0.66 132.00 131.62 3kd9 h PRO 134 Ca 0.48 -0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.78 3kd9 h PRO 134 Cb 2.22 -0.03 -0.11 0.00 0.13 0.00 0.00 31.00 33.21 3kd9 h PRO 134 CO -0.01 0.10 0.44 -0.44 -0.23 0.00 0.00 178.00 177.86 3kd9 h ASP 135 N 0.15 0.47 -0.88 1.44 5.19 -1.45 2.33 116.42 123.68 3kd9 h ASP 135 Ca 0.12 0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.71 3kd9 h ASP 135 Cb 0.12 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 3kd9 h ASP 135 CO -0.16 0.13 0.55 0.00 -3.12 0.00 0.00 179.24 176.64 3kd9 h ALA 136 N 1.63 1.21 0.21 3.45 0.00 -0.95 0.76 119.26 125.58 3kd9 h ALA 136 Ca 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3kd9 h ALA 136 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kd9 h ALA 136 CO -0.44 0.30 -0.10 1.37 0.00 0.00 0.00 179.25 180.38 3kd9 h LEU 137 N 1.00 -0.24 0.00 0.00 -0.00 0.19 -3.16 115.31 113.08 3kd9 h LEU 137 Ca 0.38 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3kd9 h LEU 137 Cb 0.18 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 3kd9 h LEU 137 CO -0.18 0.25 0.00 0.00 -0.00 0.00 0.00 178.44 178.52 3kd9 n ALA 138 N -2.55 0.00 -0.13 0.17 0.00 0.72 -0.21 120.51 118.50 3kd9 n ALA 138 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3kd9 n ALA 138 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3kd9 n ALA 138 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kd9 n ILE 139 N 0.00 -0.19 0.17 0.00 -0.00 0.25 0.11 119.36 119.70 3kd9 n ILE 139 Ca 0.00 0.81 -0.14 0.00 -0.00 0.00 0.00 62.75 63.42 3kd9 n ILE 139 Cb 0.00 -1.04 -0.07 0.00 -0.00 0.00 0.00 39.64 38.53 3kd9 n ILE 139 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 3kd9 h ARG 140 N 0.00 -0.48 -0.22 0.38 2.47 -1.54 -2.13 114.38 112.87 3kd9 h ARG 140 Ca 0.10 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.91 3kd9 h ARG 140 Cb 0.19 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.54 3kd9 h ARG 140 CO -0.33 -0.32 -0.30 0.93 0.56 0.00 0.00 179.97 180.51 3kd9 h GLU 141 N -0.50 -0.31 -0.79 0.04 4.39 0.41 -0.52 114.58 117.30 3kd9 h GLU 141 Ca -0.01 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.80 3kd9 h GLU 141 Cb 0.46 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.06 3kd9 h GLU 141 CO -0.04 -0.21 -0.52 -0.92 -1.16 0.00 0.00 179.01 176.16 3kd9 h TYR 142 N -0.32 -1.62 -0.67 4.33 3.20 -0.81 0.15 116.97 121.23 3kd9 h TYR 142 Ca 0.12 0.11 0.08 0.00 3.14 0.00 0.00 58.73 62.18 3kd9 h TYR 142 Cb 0.52 0.81 -0.06 0.00 1.54 0.00 0.00 36.73 39.54 3kd9 h TYR 142 CO -0.43 -0.41 0.33 0.52 -1.64 0.00 0.00 178.16 176.53 3kd9 h MET 143 N -0.13 0.57 -2.94 1.82 0.00 -0.75 -2.24 114.93 111.26 3kd9 h MET 143 Ca 0.17 -0.03 -0.69 0.00 0.00 0.00 0.00 59.70 59.15 3kd9 h MET 143 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 31.60 31.97 3kd9 h MET 143 CO -0.82 0.38 3.49 0.39 0.00 0.00 0.00 176.91 180.35 3kd9 n GLU 144 N -4.86 3.90 0.00 1.72 -0.58 0.52 -4.15 120.64 117.19 3kd9 n GLU 144 Ca 0.09 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.31 3kd9 n GLU 144 Cb 0.23 -2.78 0.00 0.00 -0.57 0.00 0.00 31.44 28.33 3kd9 n GLU 144 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3kd9 n LYS 145 N 3.21 0.00 -1.61 3.49 4.81 -0.88 -4.85 118.16 122.33 3kd9 n LYS 145 Ca 0.74 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.80 3kd9 n LYS 145 Cb 0.24 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.26 3kd9 n LYS 145 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kd9 s TYR 146 N 1.88 1.15 -0.41 5.64 1.51 -0.99 -4.81 117.35 121.32 3kd9 s TYR 146 Ca 0.00 1.27 -0.38 0.00 -1.01 0.00 0.00 57.07 56.95 3kd9 s TYR 146 Cb 0.00 -3.70 -0.16 0.00 -0.11 0.00 0.00 41.96 37.98 3kd9 s TYR 146 CO 0.00 -2.86 1.39 0.36 -1.11 0.00 0.00 175.55 173.33 3kd9 n LYS 147 N 8.96 0.00 -3.99 -0.62 0.00 -1.26 -4.64 118.16 116.62 3kd9 n LYS 147 Ca 0.34 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.31 3kd9 n LYS 147 Cb 0.52 -1.24 -0.15 0.00 -0.00 0.00 0.00 35.03 34.17 3kd9 n LYS 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kd9 s VAL 148 N 2.86 2.79 0.00 0.58 1.01 -1.26 -5.04 120.40 121.34 3kd9 s VAL 148 Ca 0.88 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3kd9 s VAL 148 Cb -1.24 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3kd9 s VAL 148 CO 0.66 0.32 0.00 -0.62 0.00 0.00 0.00 175.10 175.46 3kd9 n GLU 149 N 4.68 0.00 -2.34 2.72 1.02 -1.26 -4.96 120.64 120.51 3kd9 n GLU 149 Ca -0.18 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.55 3kd9 n GLU 149 Cb 0.48 -0.06 -0.03 0.00 -0.02 0.00 0.00 31.44 31.81 3kd9 n GLU 149 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kd9 s ASN 150 N -1.00 7.06 -0.02 1.62 -0.87 -1.26 -3.49 114.94 116.97 3kd9 s ASN 150 Ca 0.00 2.34 -0.00 0.00 -1.57 0.00 0.00 52.86 53.62 3kd9 s ASN 150 Cb 0.00 -2.62 0.03 0.00 -0.02 0.00 0.00 41.25 38.64 3kd9 s ASN 150 CO 0.00 -0.36 0.03 0.54 -2.57 0.00 0.00 177.10 174.74 3kd9 s VAL 151 N -0.46 -0.06 -0.09 1.60 0.11 -0.62 -0.74 120.40 120.13 3kd9 s VAL 151 Ca 0.51 0.23 0.01 0.00 -2.93 0.00 0.00 61.98 59.80 3kd9 s VAL 151 Cb -0.34 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3kd9 s VAL 151 CO 0.40 0.10 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.48 3kd9 s VAL 152 N 1.15 3.38 -0.18 2.04 1.01 -0.78 -2.30 120.40 124.73 3kd9 s VAL 152 Ca -0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3kd9 s VAL 152 Cb -0.13 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3kd9 s VAL 152 CO -0.03 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 3kd9 s ILE 153 N -0.35 3.22 -0.38 2.22 1.01 0.30 -1.83 121.20 125.40 3kd9 s ILE 153 Ca 0.04 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 3kd9 s ILE 153 Cb -0.12 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3kd9 s ILE 153 CO 0.02 0.47 0.21 -0.63 0.00 0.00 0.00 174.94 175.02 3kd9 s ILE 154 N 0.95 4.53 0.00 2.92 1.01 -0.10 -0.98 121.20 129.53 3kd9 s ILE 154 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3kd9 s ILE 154 Cb -0.15 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3kd9 s ILE 154 CO -0.00 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.29 3kd9 n GLY 155 N 4.99 4.27 1.47 6.18 0.00 -0.51 0.30 105.19 121.89 3kd9 n GLY 155 Ca -0.12 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.31 3kd9 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 156 N -0.47 3.73 0.00 -0.02 0.00 -1.26 -4.55 105.19 102.61 3kd9 n GLY 156 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3kd9 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd9 n GLY 157 N -0.15 0.34 0.30 -0.02 0.00 -1.26 0.45 105.19 104.86 3kd9 n GLY 157 Ca 0.29 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 3kd9 n GLY 157 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kd9 h TYR 158 N -0.23 -0.71 -0.70 1.61 0.05 -1.94 -2.19 116.97 112.86 3kd9 h TYR 158 Ca 0.00 -0.02 0.13 0.00 0.05 0.00 0.00 58.73 58.89 3kd9 h TYR 158 Cb 0.00 0.23 -0.13 0.00 1.01 0.00 0.00 36.73 37.84 3kd9 h TYR 158 CO 0.00 -0.44 -0.27 -0.84 -1.05 0.00 0.00 178.16 175.56 3kd9 h ILE 159 N -0.78 0.19 -0.23 -2.88 3.07 -1.95 -0.85 117.51 114.07 3kd9 h ILE 159 Ca -0.08 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.39 3kd9 h ILE 159 Cb 0.59 0.19 -0.07 0.00 -0.27 0.00 0.00 36.82 37.25 3kd9 h ILE 159 CO 0.13 0.00 -0.35 1.23 -1.05 0.00 0.00 178.15 178.11 3kd9 h GLY 160 N -0.07 -0.43 0.46 0.16 0.00 -1.78 -1.95 103.07 99.45 3kd9 h GLY 160 Ca 0.30 0.43 0.09 0.00 0.00 0.00 0.00 47.33 48.15 3kd9 h GLY 160 CO -0.75 -0.21 0.32 -2.22 0.00 0.00 0.00 176.54 173.67 3kd9 h ILE 161 N -0.36 0.83 -0.08 2.60 2.04 -0.53 -0.18 117.51 121.83 3kd9 h ILE 161 Ca 0.12 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3kd9 h ILE 161 Cb 0.56 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3kd9 h ILE 161 CO -0.43 0.10 0.03 -0.33 0.00 0.00 0.00 178.15 177.52 3kd9 h GLU 162 N 0.54 0.11 -0.84 2.37 5.08 -0.83 -0.77 114.58 120.24 3kd9 h GLU 162 Ca 0.33 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.77 3kd9 h GLU 162 Cb 0.36 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3kd9 h GLU 162 CO -0.27 0.24 0.55 0.52 -1.00 0.00 0.00 179.01 179.04 3kd9 h MET 163 N -0.04 0.76 0.26 2.33 2.86 -0.91 0.43 114.93 120.63 3kd9 h MET 163 Ca 0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3kd9 h MET 163 Cb 0.17 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3kd9 h MET 163 CO -0.00 0.51 -0.13 0.00 1.06 0.00 0.00 176.91 178.35 3kd9 h ALA 164 N 1.58 -0.35 -0.30 6.32 0.00 -0.45 -1.21 119.26 124.84 3kd9 h ALA 164 Ca 0.39 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3kd9 h ALA 164 Cb 0.46 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3kd9 h ALA 164 CO -0.16 -0.67 0.05 1.49 0.00 0.00 0.00 179.25 179.96 3kd9 h GLU 165 N -0.40 0.15 -0.66 0.00 4.81 0.09 -1.65 114.58 116.92 3kd9 h GLU 165 Ca -0.04 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.33 3kd9 h GLU 165 Cb 0.31 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.54 3kd9 h GLU 165 CO 0.06 0.10 -0.04 0.00 -0.73 0.00 0.00 179.01 178.40 3kd9 h ALA 166 N 1.23 0.61 0.02 2.92 0.00 0.23 -1.92 119.26 122.35 3kd9 h ALA 166 Ca 0.14 0.22 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 3kd9 h ALA 166 Cb 0.16 0.40 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kd9 h ALA 166 CO -0.20 -0.41 -0.93 0.74 0.00 0.00 0.00 179.25 178.45 3kd9 h PHE 167 N 0.08 0.89 -0.84 0.00 0.04 -0.91 -3.22 116.94 112.99 3kd9 h PHE 167 Ca 0.34 -0.50 0.09 0.00 2.80 0.00 0.00 57.97 60.70 3kd9 h PHE 167 Cb 0.57 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 3kd9 h PHE 167 CO -0.43 1.34 0.55 0.00 -0.60 0.00 0.00 178.31 179.17 3kd9 h ALA 168 N 0.35 1.68 0.00 2.45 0.00 -1.03 0.41 119.26 123.11 3kd9 h ALA 168 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kd9 h ALA 168 Cb 1.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kd9 h ALA 168 CO 0.18 0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.54 3kd9 h ALA 169 N 1.57 1.27 -0.52 0.00 0.00 -1.37 0.31 119.26 120.52 3kd9 h ALA 169 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kd9 h ALA 169 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kd9 h ALA 169 CO -0.15 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.20 3kd9 n GLN 170 N -3.54 3.58 -0.23 0.00 1.13 0.14 -4.91 117.38 113.54 3kd9 n GLN 170 Ca -0.02 -2.46 0.00 0.00 -1.94 0.00 0.00 57.00 52.58 3kd9 n GLN 170 Cb 0.17 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.62 3kd9 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kd9 n GLY 171 N 0.86 0.55 3.77 1.08 0.00 0.11 -4.94 105.19 106.62 3kd9 n GLY 171 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3kd9 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd9 s LYS 172 N -0.28 4.27 0.20 1.61 3.01 -1.06 -4.93 119.74 122.56 3kd9 s LYS 172 Ca 0.00 2.25 -0.30 0.00 -1.01 0.00 0.00 55.97 56.90 3kd9 s LYS 172 Cb 0.00 -3.01 -0.09 0.00 -1.01 0.00 0.00 37.83 33.71 3kd9 s LYS 172 CO 0.00 -0.27 1.41 1.21 0.51 0.00 0.00 175.35 178.21 3kd9 s ASN 173 N -0.49 6.74 0.05 2.83 3.84 -1.23 -4.17 114.94 122.52 3kd9 s ASN 173 Ca 0.50 2.53 0.07 0.00 0.21 0.00 0.00 52.86 56.17 3kd9 s ASN 173 Cb -0.40 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 37.66 3kd9 s ASN 173 CO 0.53 -0.66 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.30 3kd9 s VAL 174 N 0.36 1.61 -0.03 -5.21 1.01 -1.26 -1.59 120.40 115.29 3kd9 s VAL 174 Ca 0.61 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3kd9 s VAL 174 Cb -0.40 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3kd9 s VAL 174 CO 0.38 0.15 0.05 -0.89 0.00 0.00 0.00 175.10 174.79 3kd9 s THR 175 N -0.85 -0.09 -0.12 3.92 2.01 -0.97 -0.99 115.64 118.55 3kd9 s THR 175 Ca 0.07 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 3kd9 s THR 175 Cb -0.09 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3kd9 s THR 175 CO 0.02 0.12 0.05 -0.04 -0.69 0.00 0.00 174.62 174.08 3kd9 s MET 176 N 1.51 3.35 -0.19 4.92 -1.94 0.14 -0.54 119.30 126.55 3kd9 s MET 176 Ca -0.04 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 3kd9 s MET 176 Cb -0.13 -2.99 0.03 0.00 2.01 0.00 0.00 34.83 33.76 3kd9 s MET 176 CO -0.03 0.60 -0.14 0.42 -0.01 0.00 0.00 175.02 175.85 3kd9 s ILE 177 N -0.57 1.86 -0.07 2.53 1.01 -0.16 -0.45 121.20 125.36 3kd9 s ILE 177 Ca 0.10 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3kd9 s ILE 177 Cb -0.12 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.55 3kd9 s ILE 177 CO 0.02 0.31 -0.14 0.68 0.00 0.00 0.00 174.94 175.81 3kd9 s VAL 178 N 1.33 1.27 -0.08 2.92 -7.23 -0.40 -1.42 120.40 116.78 3kd9 s VAL 178 Ca 0.01 -0.57 0.29 0.00 -1.81 0.00 0.00 61.98 59.90 3kd9 s VAL 178 Cb -0.15 -1.15 0.36 0.00 0.56 0.00 0.00 36.38 36.00 3kd9 s VAL 178 CO -0.10 0.38 1.84 0.08 -0.31 0.00 0.00 175.10 177.00 3kd9 h ARG 179 N 6.88 0.00 -7.77 4.82 0.11 -1.83 -0.48 114.38 116.10 3kd9 h ARG 179 Ca -0.29 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.33 3kd9 h ARG 179 Cb 1.19 0.00 0.15 0.00 1.11 0.00 0.00 29.97 32.42 3kd9 h ARG 179 CO 0.47 0.02 0.42 0.20 0.10 0.00 0.00 179.97 181.18 3kd9 s GLY 180 N -4.20 1.73 0.00 0.08 0.00 -1.26 -3.61 107.32 100.05 3kd9 s GLY 180 Ca 0.03 -1.05 0.27 0.00 0.00 0.00 0.00 44.72 43.97 3kd9 s GLY 180 CO 0.59 -0.35 1.94 -1.84 0.00 0.00 0.00 173.10 173.44 3kd9 n GLU 181 N -3.67 0.59 -3.61 2.90 0.00 -1.26 -1.65 120.64 113.94 3kd9 n GLU 181 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 57.16 57.27 3kd9 n GLU 181 Cb 0.60 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.51 3kd9 n GLU 181 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3kd9 s ARG 182 N -2.32 0.26 0.63 3.44 1.70 -1.26 -4.91 118.95 116.48 3kd9 s ARG 182 Ca 0.32 -0.06 -0.14 0.00 -0.47 0.00 0.00 55.73 55.38 3kd9 s ARG 182 Cb 0.18 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3kd9 s ARG 182 CO 0.37 -0.11 1.05 0.14 -1.08 0.00 0.00 175.30 175.67 3kd9 s VAL 183 N -2.04 3.97 -1.88 4.99 -7.23 -1.26 -3.11 120.40 113.83 3kd9 s VAL 183 Ca 0.09 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 3kd9 s VAL 183 Cb -0.01 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.50 3kd9 s VAL 183 CO -0.04 -0.67 0.00 0.18 -0.31 0.00 0.00 175.10 174.26 3kd9 n LEU 184 N -2.42 -1.57 -0.39 1.32 4.77 0.17 -4.83 117.00 114.05 3kd9 n LEU 184 Ca 0.08 0.29 0.36 0.00 -0.03 0.00 0.00 56.01 56.71 3kd9 n LEU 184 Cb 0.53 -2.73 0.63 0.00 -2.33 0.00 0.00 43.42 39.52 3kd9 n LEU 184 CO 0.51 -0.68 1.14 -0.09 -1.33 0.00 0.00 177.39 176.94 3kd9 h ARG 185 N 0.00 0.01 -0.01 3.23 2.43 -1.78 -1.50 114.38 116.76 3kd9 h ARG 185 Ca -0.42 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3kd9 h ARG 185 Cb 1.29 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3kd9 h ARG 185 CO 0.56 0.00 -0.34 0.54 -1.51 0.00 0.00 179.97 179.23 3kd9 n ARG 186 N -5.01 1.92 -0.08 0.20 1.74 -1.26 -4.60 116.66 109.57 3kd9 n ARG 186 Ca 0.39 -0.64 -0.12 0.00 -0.77 0.00 0.00 57.85 56.71 3kd9 n ARG 186 Cb 1.42 -1.20 -0.15 0.00 -1.02 0.00 0.00 32.46 31.52 3kd9 n ARG 186 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kd9 n SER 187 N -0.32 0.78 -4.23 0.55 7.64 -0.60 -5.00 113.62 112.44 3kd9 n SER 187 Ca 0.05 0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.85 3kd9 n SER 187 Cb 0.28 0.32 -0.11 0.00 -1.01 0.00 0.00 64.21 63.70 3kd9 n SER 187 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3kd9 s PHE 188 N -2.52 1.27 0.84 1.43 0.08 -0.98 -4.93 117.98 113.17 3kd9 s PHE 188 Ca -0.15 -0.66 -0.12 0.00 0.12 0.00 0.00 56.93 56.12 3kd9 s PHE 188 Cb 0.07 -0.66 0.09 0.00 -0.57 0.00 0.00 43.02 41.96 3kd9 s PHE 188 CO 0.77 0.09 1.10 -0.51 -0.10 0.00 0.00 175.22 176.57 3kd9 s ASP 189 N -2.77 4.12 0.45 1.36 1.01 -1.26 -4.72 116.67 114.85 3kd9 s ASP 189 Ca 0.12 1.32 0.13 0.00 0.71 0.00 0.00 52.55 54.83 3kd9 s ASP 189 Cb -0.01 -2.03 1.02 0.00 1.01 0.00 0.00 42.92 42.91 3kd9 s ASP 189 CO 0.01 -2.21 2.02 0.50 0.21 0.00 0.00 175.17 175.70 3kd9 h LYS 190 N -1.25 0.08 0.00 8.23 3.64 -1.96 -2.78 116.57 122.52 3kd9 h LYS 190 Ca -0.48 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 3kd9 h LYS 190 Cb 1.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3kd9 h LYS 190 CO 0.58 0.19 -0.17 1.05 -2.27 0.00 0.00 179.45 178.83 3kd9 h GLU 191 N 0.08 0.00 0.11 1.90 9.09 -2.00 -0.92 114.58 122.83 3kd9 h GLU 191 Ca 0.02 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.14 3kd9 h GLU 191 Cb 0.23 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3kd9 h GLU 191 CO 0.01 0.17 -1.46 0.28 0.05 0.00 0.00 179.01 178.07 3kd9 h VAL 192 N 0.00 1.00 -0.62 -1.06 2.07 -1.89 -3.37 116.25 112.38 3kd9 h VAL 192 Ca -0.00 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.14 3kd9 h VAL 192 Cb 0.65 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 3kd9 h VAL 192 CO 0.02 0.71 0.40 0.74 0.02 0.00 0.00 177.57 179.46 3kd9 h THR 193 N -0.29 1.14 -0.76 2.57 2.02 -1.41 -2.87 112.91 113.31 3kd9 h THR 193 Ca -0.31 -0.28 0.17 0.00 0.77 0.00 0.00 66.41 66.76 3kd9 h THR 193 Cb 1.77 0.25 -0.12 0.00 -1.74 0.00 0.00 68.15 68.31 3kd9 h THR 193 CO 0.05 0.15 0.15 0.44 0.37 0.00 0.00 175.52 176.68 3kd9 h ASP 194 N 0.82 -0.07 -0.75 4.18 5.19 -1.32 0.17 116.42 124.65 3kd9 h ASP 194 Ca 0.23 0.17 0.03 0.00 -0.62 0.00 0.00 57.03 56.84 3kd9 h ASP 194 Cb -0.07 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 3kd9 h ASP 194 CO -0.06 -0.09 0.47 0.40 -3.12 0.00 0.00 179.24 176.84 3kd9 h ILE 195 N 0.22 1.11 0.15 0.35 5.03 -1.67 -1.38 117.51 121.32 3kd9 h ILE 195 Ca 0.44 -0.32 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 3kd9 h ILE 195 Cb 0.78 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.67 3kd9 h ILE 195 CO -0.57 0.17 -0.07 0.25 -0.68 0.00 0.00 178.15 177.25 3kd9 h LEU 196 N 0.93 -0.17 -1.19 1.44 5.85 -0.80 -3.03 115.31 118.34 3kd9 h LEU 196 Ca 0.30 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.97 3kd9 h LEU 196 Cb 0.01 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3kd9 h LEU 196 CO -0.11 0.07 0.59 -0.33 -0.34 0.00 0.00 178.44 178.32 3kd9 h GLU 197 N -0.41 0.80 -0.38 1.25 5.08 -0.69 0.32 114.58 120.54 3kd9 h GLU 197 Ca -0.02 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3kd9 h GLU 197 Cb 0.33 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3kd9 h GLU 197 CO 0.03 0.53 0.11 1.49 -1.00 0.00 0.00 179.01 180.17 3kd9 h GLU 198 N 0.82 0.25 -0.06 2.33 4.81 -1.14 0.55 114.58 122.14 3kd9 h GLU 198 Ca 0.45 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 3kd9 h GLU 198 Cb 0.57 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.90 3kd9 h GLU 198 CO -0.21 0.16 -0.48 -0.22 -0.73 0.00 0.00 179.01 177.53 3kd9 h LYS 199 N 0.26 0.43 -0.61 1.92 1.63 -1.18 -3.31 116.57 115.71 3kd9 h LYS 199 Ca 0.18 -0.38 0.11 0.00 -0.85 0.00 0.00 60.65 59.71 3kd9 h LYS 199 Cb 0.18 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.82 3kd9 h LYS 199 CO -0.20 1.03 0.16 1.25 -3.45 0.00 0.00 179.45 178.23 3kd9 h LEU 200 N -0.04 0.06 -2.74 5.20 5.85 -0.05 -1.29 115.31 122.29 3kd9 h LEU 200 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kd9 h LEU 200 Cb 1.15 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3kd9 h LEU 200 CO 0.10 0.04 0.07 0.11 -0.34 0.00 0.00 178.44 178.41 3kd9 h LYS 201 N 0.29 0.00 -0.12 1.25 1.57 -0.98 -1.89 116.57 116.69 3kd9 h LYS 201 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3kd9 h LYS 201 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kd9 h LYS 201 CO -0.38 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.13 3kd9 n LYS 202 N -3.01 1.60 0.00 3.15 5.02 -0.49 -4.14 118.16 120.29 3kd9 n LYS 202 Ca -0.03 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 3kd9 n LYS 202 Cb 0.13 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3kd9 n LYS 202 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kd9 n HIS 203 N 0.11 0.00 -4.08 2.13 8.25 -0.76 -5.10 115.22 115.78 3kd9 n HIS 203 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 3kd9 n HIS 203 Cb 0.29 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 3kd9 n HIS 203 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kd9 s VAL 204 N -0.05 0.40 -0.60 1.59 1.01 -0.90 -4.67 120.40 117.18 3kd9 s VAL 204 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 3kd9 s VAL 204 Cb 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.43 3kd9 s VAL 204 CO 0.00 -0.67 0.94 0.21 0.00 0.00 0.00 175.10 175.57 3kd9 s ASN 205 N -2.23 6.26 -0.44 3.32 3.04 -0.16 -4.47 114.94 120.27 3kd9 s ASN 205 Ca -0.02 -0.65 -0.23 0.00 0.04 0.00 0.00 52.86 52.00 3kd9 s ASN 205 Cb -0.02 -2.42 0.02 0.00 -1.54 0.00 0.00 41.25 37.29 3kd9 s ASN 205 CO -0.04 -1.31 0.80 -0.22 -3.04 0.00 0.00 177.10 173.30 3kd9 s LEU 206 N 3.95 4.20 -0.33 3.21 2.96 -1.26 -0.69 118.68 130.73 3kd9 s LEU 206 Ca 0.26 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3kd9 s LEU 206 Cb -0.15 -3.00 0.05 0.00 0.50 0.00 0.00 46.19 43.60 3kd9 s LEU 206 CO 0.15 -0.90 0.07 -0.13 -1.32 0.00 0.00 176.35 174.21 3kd9 s ARG 207 N 3.32 2.44 0.54 1.98 1.81 0.41 -4.98 118.95 124.46 3kd9 s ARG 207 Ca 0.31 -1.31 0.09 0.00 -1.72 0.00 0.00 55.73 53.10 3kd9 s ARG 207 Cb -0.12 -3.34 0.07 0.00 -0.45 0.00 0.00 34.95 31.11 3kd9 s ARG 207 CO 0.22 -0.70 0.72 -0.51 -0.68 0.00 0.00 175.30 174.35 3kd9 s LEU 208 N 1.29 3.21 0.00 2.53 1.43 -1.26 -1.28 118.68 124.60 3kd9 s LEU 208 Ca -0.02 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3kd9 s LEU 208 Cb -0.20 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kd9 s LEU 208 CO -0.00 -1.20 0.00 0.00 0.23 0.00 0.00 176.35 175.38 3kd9 n GLN 209 N -2.13 -1.59 -3.74 1.70 1.13 -0.20 -4.84 117.38 107.71 3kd9 n GLN 209 Ca 0.13 0.23 -0.33 0.00 -1.94 0.00 0.00 57.00 55.09 3kd9 n GLN 209 Cb 0.61 -3.78 -0.05 0.00 0.11 0.00 0.00 30.24 27.13 3kd9 n GLN 209 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3kd9 s GLU 210 N -1.06 3.59 -0.18 -1.09 2.02 -1.13 -4.89 118.70 115.97 3kd9 s GLU 210 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 3kd9 s GLU 210 Cb 0.00 -3.01 -0.00 0.00 0.10 0.00 0.00 34.13 31.22 3kd9 s GLU 210 CO 0.00 0.59 -0.11 0.42 0.02 0.00 0.00 175.26 176.18 3kd9 s ILE 211 N -1.42 2.97 0.60 -1.63 1.09 -1.26 -2.90 121.20 118.65 3kd9 s ILE 211 Ca 0.32 -0.65 -0.18 0.00 -1.10 0.00 0.00 60.65 59.04 3kd9 s ILE 211 Cb -0.13 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.94 3kd9 s ILE 211 CO 0.20 0.48 1.18 -0.89 -0.10 0.00 0.00 174.94 175.81 3kd9 s THR 212 N 1.06 2.76 0.00 2.92 2.01 -1.26 -2.15 115.64 120.99 3kd9 s THR 212 Ca -0.00 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3kd9 s THR 212 Cb -0.15 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3kd9 s THR 212 CO -0.02 -0.13 0.00 0.23 -0.69 0.00 0.00 174.62 174.01 3kd9 n MET 213 N -1.74 4.85 0.00 4.92 2.81 -0.34 -4.84 117.12 122.78 3kd9 n MET 213 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3kd9 n MET 213 Cb 0.50 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 3kd9 n MET 213 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3kd9 n LYS 214 N -0.72 0.00 -3.47 0.03 0.00 -1.07 -4.12 118.16 108.81 3kd9 n LYS 214 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 3kd9 n LYS 214 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 3kd9 n LYS 214 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3kd9 s ILE 215 N -2.00 0.21 0.93 0.58 -4.36 -1.04 -2.12 121.20 113.40 3kd9 s ILE 215 Ca 0.00 -1.79 -0.12 0.00 -0.26 0.00 0.00 60.65 58.48 3kd9 s ILE 215 Cb 0.00 -1.16 0.15 0.00 1.25 0.00 0.00 42.46 42.70 3kd9 s ILE 215 CO 0.00 -1.00 1.11 -1.83 0.24 0.00 0.00 174.94 173.46 3kd9 s GLU 216 N 0.99 0.97 0.00 0.37 1.03 -1.21 -4.78 118.70 116.08 3kd9 s GLU 216 Ca 0.19 0.51 0.00 0.00 0.03 0.00 0.00 54.97 55.69 3kd9 s GLU 216 Cb -0.22 -1.80 0.00 0.00 -0.80 0.00 0.00 34.13 31.31 3kd9 s GLU 216 CO 0.00 -2.36 0.00 0.41 -1.33 0.00 0.00 175.26 171.98 3kd9 n GLY 217 N -1.57 0.21 0.00 -3.83 0.00 -1.26 -2.43 105.19 96.31 3kd9 n GLY 217 Ca 0.06 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3kd9 n GLY 217 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kd9 n GLU 218 N -0.88 0.00 0.03 1.61 -0.58 -1.26 -4.85 120.64 114.71 3kd9 n GLU 218 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 3kd9 n GLU 218 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 3kd9 n GLU 218 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3kd9 n GLU 219 N 0.00 0.62 -4.24 3.49 -0.58 -1.26 -4.93 120.64 113.74 3kd9 n GLU 219 Ca 0.00 0.17 -0.19 0.00 -0.42 0.00 0.00 57.16 56.72 3kd9 n GLU 219 Cb 0.00 -1.78 -0.11 0.00 -0.57 0.00 0.00 31.44 28.98 3kd9 n GLU 219 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3kd9 s ARG 220 N -3.00 1.03 0.27 3.49 1.70 -1.26 -2.92 118.95 118.25 3kd9 s ARG 220 Ca -0.03 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.71 3kd9 s ARG 220 Cb 0.09 -0.96 -0.13 0.00 -0.57 0.00 0.00 34.95 33.38 3kd9 s ARG 220 CO 0.82 0.19 1.33 1.55 -1.08 0.00 0.00 175.30 178.11 3kd9 n VAL 221 N 0.62 1.34 -0.01 4.99 3.14 -1.26 -4.55 118.33 122.60 3kd9 n VAL 221 Ca -0.16 -0.34 -0.02 0.00 -2.96 0.00 0.00 64.34 60.87 3kd9 n VAL 221 Cb 0.56 -1.44 -0.01 0.00 -1.06 0.00 0.00 33.84 31.90 3kd9 n VAL 221 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kd9 n GLU 222 N 1.48 0.03 -3.91 1.45 -0.58 -1.02 -4.46 120.64 113.63 3kd9 n GLU 222 Ca 0.10 0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 3kd9 n GLU 222 Cb 0.33 -0.60 -0.11 0.00 -0.57 0.00 0.00 31.44 30.49 3kd9 n GLU 222 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kd9 s LYS 223 N -2.03 0.34 -0.10 3.49 -0.14 -1.11 -2.04 119.74 118.16 3kd9 s LYS 223 Ca -0.02 -0.41 -0.02 0.00 -1.36 0.00 0.00 55.97 54.16 3kd9 s LYS 223 Cb 0.01 0.14 -0.03 0.00 -1.68 0.00 0.00 37.83 36.26 3kd9 s LYS 223 CO 0.03 -0.07 -0.01 0.54 -0.76 0.00 0.00 175.35 175.08 3kd9 s VAL 224 N -1.18 4.16 -0.06 3.17 0.11 -0.59 -3.29 120.40 122.72 3kd9 s VAL 224 Ca -0.13 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 3kd9 s VAL 224 Cb -0.07 -2.76 0.01 0.00 -1.53 0.00 0.00 36.38 32.03 3kd9 s VAL 224 CO 0.00 0.58 -0.12 0.54 -3.33 0.00 0.00 175.10 172.77 3kd9 s VAL 225 N -0.57 1.12 0.18 2.04 0.11 -0.90 -0.35 120.40 122.03 3kd9 s VAL 225 Ca 0.09 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 3kd9 s VAL 225 Cb -0.12 -1.02 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 3kd9 s VAL 225 CO 0.02 0.35 -0.03 0.28 -3.33 0.00 0.00 175.10 172.39 3kd9 s THR 226 N 0.56 0.94 -0.08 5.04 -1.32 -0.30 -1.20 115.64 119.29 3kd9 s THR 226 Ca -0.12 -2.02 -0.02 0.00 -1.21 0.00 0.00 61.69 58.32 3kd9 s THR 226 Cb -0.15 -2.10 -0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3kd9 s THR 226 CO 0.03 -0.52 1.26 -0.90 -2.21 0.00 0.00 174.62 172.29 3kd9 n ASP 227 N -0.28 1.37 0.00 8.08 5.75 -0.91 -1.20 116.55 129.36 3kd9 n ASP 227 Ca -0.07 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3kd9 n ASP 227 Cb 0.63 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3kd9 n ASP 227 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kd9 n ALA 228 N 3.30 0.00 0.00 2.12 0.00 -1.26 -4.83 120.51 119.83 3kd9 n ALA 228 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3kd9 n ALA 228 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3kd9 n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd9 n GLY 229 N 0.00 -2.11 3.33 0.00 0.00 -0.34 -5.16 105.19 100.91 3kd9 n GLY 229 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 3kd9 n GLY 229 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kd9 s GLU 230 N -1.85 1.28 -0.02 1.61 0.41 -1.26 -1.14 118.70 117.72 3kd9 s GLU 230 Ca 0.00 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 3kd9 s GLU 230 Cb 0.00 -1.30 0.03 0.00 -1.78 0.00 0.00 34.13 31.08 3kd9 s GLU 230 CO 0.00 0.26 0.01 0.71 -0.49 0.00 0.00 175.26 175.75 3kd9 s TYR 231 N -2.17 0.13 0.29 1.61 1.51 0.52 -4.98 117.35 114.26 3kd9 s TYR 231 Ca 0.17 0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 3kd9 s TYR 231 Cb -0.05 -0.27 -0.13 0.00 -0.11 0.00 0.00 41.96 41.40 3kd9 s TYR 231 CO 0.07 -0.09 1.38 1.17 -1.11 0.00 0.00 175.55 176.96 3kd9 n LYS 232 N 4.02 2.15 -3.63 -0.62 3.00 -1.26 -1.54 118.16 120.28 3kd9 n LYS 232 Ca -0.26 0.76 -0.02 0.00 -0.00 0.00 0.00 58.31 58.79 3kd9 n LYS 232 Cb 0.51 -2.40 -0.05 0.00 0.00 0.00 0.00 35.03 33.10 3kd9 n LYS 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kd9 s ALA 233 N -0.49 -2.07 -0.28 3.14 0.00 -0.86 -4.50 121.76 116.70 3kd9 s ALA 233 Ca 0.62 2.34 0.03 0.00 0.00 0.00 0.00 51.96 54.96 3kd9 s ALA 233 Cb -0.60 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 20.87 3kd9 s ALA 233 CO 0.55 -0.83 1.08 0.39 0.00 0.00 0.00 175.76 176.94 3kd9 n GLU 234 N 5.20 2.96 -3.64 0.00 4.71 0.08 -3.49 120.64 126.47 3kd9 n GLU 234 Ca -0.13 -1.67 -0.08 0.00 -0.01 0.00 0.00 57.16 55.27 3kd9 n GLU 234 Cb 0.51 -1.08 -0.07 0.00 -1.01 0.00 0.00 31.44 29.79 3kd9 n GLU 234 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3kd9 s LEU 235 N -1.01 -0.69 -0.01 -4.62 1.98 -1.25 -4.86 118.68 108.22 3kd9 s LEU 235 Ca 0.07 1.20 0.01 0.00 -2.89 0.00 0.00 54.13 52.52 3kd9 s LEU 235 Cb 0.04 2.15 0.00 0.00 0.66 0.00 0.00 46.19 49.04 3kd9 s LEU 235 CO 0.05 -0.20 -0.04 0.68 -1.89 0.00 0.00 176.35 174.95 3kd9 s VAL 236 N 0.94 0.35 -0.08 1.68 -7.23 -0.77 -1.87 120.40 113.42 3kd9 s VAL 236 Ca -0.04 -0.15 0.04 0.00 -1.81 0.00 0.00 61.98 60.02 3kd9 s VAL 236 Cb -0.05 -0.32 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 3kd9 s VAL 236 CO -0.11 0.12 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.96 3kd9 s ILE 237 N 0.13 2.40 -0.27 -0.62 -1.09 -0.76 0.76 121.20 121.75 3kd9 s ILE 237 Ca -0.01 -0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 57.40 3kd9 s ILE 237 Cb -0.05 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.89 3kd9 s ILE 237 CO -0.00 0.56 0.11 -0.76 -1.23 0.00 0.00 174.94 173.62 3kd9 s LEU 238 N -0.06 3.73 -0.29 2.97 1.02 -0.93 -0.92 118.68 124.20 3kd9 s LEU 238 Ca -0.05 -0.29 0.11 0.00 0.02 0.00 0.00 54.13 53.91 3kd9 s LEU 238 Cb -0.14 -1.97 0.47 0.00 0.02 0.00 0.00 46.19 44.56 3kd9 s LEU 238 CO 0.05 -0.09 1.16 0.00 0.02 0.00 0.00 176.35 177.49 3kd9 n ALA 239 N 4.96 4.46 1.81 4.21 0.00 0.15 -4.21 120.51 131.89 3kd9 n ALA 239 Ca -0.15 -3.59 0.15 0.00 0.00 0.00 0.00 53.44 49.86 3kd9 n ALA 239 Cb 0.51 -0.47 0.79 0.00 0.00 0.00 0.00 19.45 20.28 3kd9 n ALA 239 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kd9 n THR 240 N -0.66 0.00 0.00 0.00 -2.24 -1.20 -4.45 114.28 105.73 3kd9 n THR 240 Ca 0.35 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3kd9 n THR 240 Cb 0.91 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3kd9 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd9 n GLY 241 N 1.07 3.38 3.07 3.38 0.00 -1.26 -4.94 105.19 109.89 3kd9 n GLY 241 Ca 0.22 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 3kd9 n GLY 241 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kd9 s ILE 242 N -2.00 0.57 0.07 -0.61 2.07 -1.26 -1.27 121.20 118.77 3kd9 s ILE 242 Ca 0.00 -1.08 0.04 0.00 -1.41 0.00 0.00 60.65 58.20 3kd9 s ILE 242 Cb 0.00 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 3kd9 s ILE 242 CO 0.00 -0.37 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.80 3kd9 s LYS 243 N -1.57 0.72 0.32 3.50 2.20 -0.01 -4.85 119.74 120.06 3kd9 s LYS 243 Ca -0.09 -0.93 -0.28 0.00 -0.36 0.00 0.00 55.97 54.31 3kd9 s LYS 243 Cb -0.10 -0.57 -0.09 0.00 -1.51 0.00 0.00 37.83 35.56 3kd9 s LYS 243 CO 0.00 0.11 1.07 -2.14 -0.36 0.00 0.00 175.35 174.03 3kd9 s PRO 244 N -1.91 4.49 -1.19 4.03 0.02 -1.26 -0.66 135.00 138.52 3kd9 s PRO 244 Ca -0.03 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.48 3kd9 s PRO 244 Cb -0.08 -2.97 0.10 0.00 0.02 0.00 0.00 34.50 31.57 3kd9 s PRO 244 CO 0.01 0.12 1.54 -0.80 -0.33 0.00 0.00 177.00 177.54 3kd9 s ASN 245 N -1.15 6.83 0.00 2.53 0.01 -0.60 -4.77 114.94 117.79 3kd9 s ASN 245 Ca 0.49 -2.40 0.22 0.00 -0.71 0.00 0.00 52.86 50.46 3kd9 s ASN 245 Cb -0.28 -2.51 -0.10 0.00 0.41 0.00 0.00 41.25 38.77 3kd9 s ASN 245 CO 0.35 -1.10 0.96 2.30 -1.51 0.00 0.00 177.10 178.11 3kd9 n ILE 246 N 5.89 0.01 -0.28 0.60 -5.35 -1.26 -4.61 119.36 114.37 3kd9 n ILE 246 Ca 0.40 -0.05 0.08 0.00 -0.27 0.00 0.00 62.75 62.92 3kd9 n ILE 246 Cb 0.46 0.76 0.22 0.00 -1.74 0.00 0.00 39.64 39.34 3kd9 n ILE 246 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3kd9 h GLU 247 N 0.00 0.16 -0.15 6.28 4.39 -2.00 0.40 114.58 123.66 3kd9 h GLU 247 Ca 0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3kd9 h GLU 247 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3kd9 h GLU 247 CO 0.00 0.11 -0.16 1.25 -1.16 0.00 0.00 179.01 179.05 3kd9 h LEU 248 N 0.17 0.24 0.11 1.33 5.85 -1.98 -2.64 115.31 118.38 3kd9 h LEU 248 Ca 0.47 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.87 3kd9 h LEU 248 Cb 0.89 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3kd9 h LEU 248 CO -0.65 0.42 -1.21 0.00 -0.34 0.00 0.00 178.44 176.66 3kd9 h ALA 249 N 1.60 0.14 0.00 1.25 0.00 -1.29 -3.05 119.26 117.92 3kd9 h ALA 249 Ca 0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 3kd9 h ALA 249 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kd9 h ALA 249 CO 0.03 1.03 -0.10 0.87 0.00 0.00 0.00 179.25 181.08 3kd9 h LYS 250 N 0.06 0.00 -0.00 0.00 1.57 -0.91 -0.24 116.57 117.05 3kd9 h LYS 250 Ca -0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3kd9 h LYS 250 Cb 1.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 3kd9 h LYS 250 CO 0.19 0.10 -0.50 0.37 -0.57 0.00 0.00 179.45 179.03 3kd9 h GLN 251 N 0.00 0.01 -0.01 3.15 4.15 -1.37 -2.23 115.11 118.81 3kd9 h GLN 251 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kd9 h GLN 251 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3kd9 h GLN 251 CO 0.01 0.51 -0.07 -0.11 -1.93 0.00 0.00 178.83 177.24 3kd9 n LEU 252 N -3.94 1.11 -0.09 -2.39 0.00 -0.14 -4.92 117.00 106.63 3kd9 n LEU 252 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 56.01 55.65 3kd9 n LEU 252 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 43.42 43.89 3kd9 n LEU 252 CO 0.41 0.19 -0.01 0.61 0.00 0.00 0.00 177.39 178.58 3kd9 n GLY 253 N 1.20 0.49 3.76 -3.96 0.00 -0.84 -4.98 105.19 100.87 3kd9 n GLY 253 Ca 0.18 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3kd9 n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kd9 s VAL 254 N -2.02 2.82 0.01 1.61 1.01 -0.95 -4.93 120.40 117.95 3kd9 s VAL 254 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 3kd9 s VAL 254 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3kd9 s VAL 254 CO 0.00 0.18 1.42 -0.60 0.00 0.00 0.00 175.10 176.10 3kd9 s ARG 255 N -1.55 4.28 -0.14 2.72 3.52 -1.26 -4.67 118.95 121.85 3kd9 s ARG 255 Ca 0.50 2.00 -0.03 0.00 -0.13 0.00 0.00 55.73 58.06 3kd9 s ARG 255 Cb -0.39 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 3kd9 s ARG 255 CO 0.50 -0.58 -0.02 0.96 -0.81 0.00 0.00 175.30 175.35 3kd9 s ILE 256 N 2.32 4.04 1.24 4.11 -5.25 -1.26 -2.32 121.20 124.08 3kd9 s ILE 256 Ca 0.65 -0.32 -0.15 0.00 -0.99 0.00 0.00 60.65 59.84 3kd9 s ILE 256 Cb -0.32 -2.75 0.30 0.00 2.95 0.00 0.00 42.46 42.64 3kd9 s ILE 256 CO 0.27 0.52 0.89 0.61 -1.79 0.00 0.00 174.94 175.44 3kd9 n GLY 257 N 3.12 -2.46 0.28 6.27 0.00 0.81 -4.75 105.19 108.46 3kd9 n GLY 257 Ca -0.18 -1.25 0.17 0.00 0.00 0.00 0.00 46.02 44.76 3kd9 n GLY 257 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kd9 h GLU 258 N -2.85 0.00 0.00 1.61 4.57 -1.97 -2.09 114.58 113.85 3kd9 h GLU 258 Ca -0.59 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 3kd9 h GLU 258 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3kd9 h GLU 258 CO 0.45 0.05 0.00 1.79 -1.18 0.00 0.00 179.01 180.12 3kd9 h THR 259 N 0.00 0.00 0.00 0.32 1.35 -1.91 -3.47 112.91 109.21 3kd9 h THR 259 Ca -0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3kd9 h THR 259 Cb 0.39 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3kd9 h THR 259 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3kd9 n GLY 260 N 1.07 0.48 3.96 5.82 0.00 -0.78 -4.98 105.19 110.77 3kd9 n GLY 260 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3kd9 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd9 s ALA 261 N -2.00 4.44 0.07 4.61 0.00 -1.26 -4.68 121.76 122.94 3kd9 s ALA 261 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 3kd9 s ALA 261 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 3kd9 s ALA 261 CO 0.00 -0.45 1.41 0.42 0.00 0.00 0.00 175.76 177.14 3kd9 s ILE 262 N -2.53 3.45 0.43 0.00 1.01 0.83 -0.13 121.20 124.26 3kd9 s ILE 262 Ca 0.52 0.97 -0.25 0.00 0.00 0.00 0.00 60.65 61.89 3kd9 s ILE 262 Cb -0.06 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3kd9 s ILE 262 CO 0.32 0.04 1.33 0.86 0.00 0.00 0.00 174.94 177.48 3kd9 s TRP 263 N 1.70 2.68 0.12 3.97 -0.00 -0.98 -0.25 118.94 126.18 3kd9 s TRP 263 Ca 0.65 1.38 -0.11 0.00 -0.00 0.00 0.00 56.10 58.02 3kd9 s TRP 263 Cb -0.35 -3.72 0.01 0.00 -0.00 0.00 0.00 33.47 29.41 3kd9 s TRP 263 CO 0.29 -2.33 0.28 -0.08 -0.00 0.00 0.00 176.95 175.12 3kd9 s THR 264 N -1.27 0.10 0.39 5.86 -1.32 -1.24 -4.51 115.64 113.65 3kd9 s THR 264 Ca 0.60 -1.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 3kd9 s THR 264 Cb -0.39 -1.38 0.02 0.00 -1.51 0.00 0.00 72.50 69.24 3kd9 s THR 264 CO 0.49 -0.47 0.13 -0.46 -2.21 0.00 0.00 174.62 172.10 3kd9 n ASN 265 N -0.15 2.74 0.10 8.08 0.23 -0.88 -4.93 115.26 120.45 3kd9 n ASN 265 Ca -0.14 -2.56 0.06 0.00 -0.53 0.00 0.00 54.58 51.41 3kd9 n ASN 265 Cb 0.63 0.14 0.31 0.00 -2.08 0.00 0.00 39.78 38.78 3kd9 n ASN 265 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3kd9 n GLU 266 N -1.17 0.08 -0.08 -3.83 1.02 -1.26 -0.45 120.64 114.94 3kd9 n GLU 266 Ca -0.10 0.54 0.10 0.00 -0.02 0.00 0.00 57.16 57.68 3kd9 n GLU 266 Cb 0.48 -1.84 0.13 0.00 -0.02 0.00 0.00 31.44 30.19 3kd9 n GLU 266 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kd9 n LYS 267 N -1.90 1.98 -1.19 3.49 5.02 -1.26 -0.10 118.16 124.19 3kd9 n LYS 267 Ca -0.01 -1.87 -0.06 0.00 -2.02 0.00 0.00 58.31 54.35 3kd9 n LYS 267 Cb 0.11 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 3kd9 n LYS 267 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kd9 n MET 268 N 1.13 -0.44 -2.88 1.97 2.81 0.40 -4.20 117.12 115.91 3kd9 n MET 268 Ca 0.14 0.72 -0.36 0.00 -1.81 0.00 0.00 57.70 56.39 3kd9 n MET 268 Cb 0.50 -4.49 -0.06 0.00 -0.71 0.00 0.00 33.22 28.46 3kd9 n MET 268 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3kd9 s GLN 269 N -2.55 4.40 0.32 0.03 -0.21 -1.26 -0.86 119.66 119.53 3kd9 s GLN 269 Ca 0.00 1.14 0.05 0.00 0.02 0.00 0.00 55.36 56.57 3kd9 s GLN 269 Cb 0.00 -2.65 0.05 0.00 1.00 0.00 0.00 33.01 31.40 3kd9 s GLN 269 CO 0.00 0.23 0.40 0.25 -2.12 0.00 0.00 175.29 174.05 3kd9 n THR 270 N 0.27 0.00 0.65 -0.19 -2.24 -0.51 -2.08 114.28 110.17 3kd9 n THR 270 Ca 0.02 -1.11 0.09 0.00 -2.27 0.00 0.00 64.05 60.78 3kd9 n THR 270 Cb 0.51 -0.62 0.40 0.00 -2.10 0.00 0.00 70.33 68.52 3kd9 n THR 270 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kd9 n SER 271 N -2.47 0.00 -4.69 3.42 3.41 -1.26 -4.68 113.62 107.35 3kd9 n SER 271 Ca 0.07 0.47 -0.35 0.00 -0.26 0.00 0.00 58.87 58.80 3kd9 n SER 271 Cb 0.34 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 3kd9 n SER 271 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kd9 s VAL 272 N -2.97 4.72 0.28 -3.33 1.01 -1.26 -4.95 120.40 113.89 3kd9 s VAL 272 Ca 0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3kd9 s VAL 272 Cb 0.12 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.31 3kd9 s VAL 272 CO 0.33 0.54 1.54 1.21 0.00 0.00 0.00 175.10 178.72 3kd9 n GLU 273 N 2.78 2.51 -1.26 2.72 2.13 -1.26 -2.12 120.64 126.14 3kd9 n GLU 273 Ca -0.18 0.89 -0.09 0.00 0.66 0.00 0.00 57.16 58.44 3kd9 n GLU 273 Cb 0.53 -2.64 -0.04 0.00 0.27 0.00 0.00 31.44 29.56 3kd9 n GLU 273 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kd9 n ASN 274 N 2.19 -5.06 -4.25 4.31 3.02 -1.26 -4.98 115.26 109.22 3kd9 n ASN 274 Ca 0.10 0.22 -0.35 0.00 -0.03 0.00 0.00 54.58 54.52 3kd9 n ASN 274 Cb 0.35 -3.35 -0.14 0.00 -0.61 0.00 0.00 39.78 36.02 3kd9 n ASN 274 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kd9 s VAL 275 N -2.00 3.05 0.41 2.41 1.01 -0.90 -1.51 120.40 122.86 3kd9 s VAL 275 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3kd9 s VAL 275 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3kd9 s VAL 275 CO 0.00 0.40 0.31 -0.31 0.00 0.00 0.00 175.10 175.50 3kd9 s TYR 276 N 1.42 2.69 -0.25 5.22 2.02 0.11 -1.43 117.35 127.13 3kd9 s TYR 276 Ca 0.05 -0.51 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 3kd9 s TYR 276 Cb -0.14 -2.08 0.07 0.00 -0.40 0.00 0.00 41.96 39.41 3kd9 s TYR 276 CO -0.05 -0.00 0.64 0.00 -1.57 0.00 0.00 175.55 174.57 3kd9 s ALA 277 N -2.50 -1.67 0.11 3.71 0.00 -0.04 -0.31 121.76 121.07 3kd9 s ALA 277 Ca 0.45 2.05 -0.12 0.00 0.00 0.00 0.00 51.96 54.35 3kd9 s ALA 277 Cb -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.91 3kd9 s ALA 277 CO 0.26 -0.33 0.29 0.00 0.00 0.00 0.00 175.76 175.98 3kd9 s ALA 278 N 0.99 -0.51 0.00 0.00 0.00 -0.40 -4.75 121.76 117.10 3kd9 s ALA 278 Ca -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3kd9 s ALA 278 Cb -0.05 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3kd9 s ALA 278 CO -0.09 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.50 3kd9 n GLY 279 N -0.15 -0.69 0.10 0.00 0.00 -1.26 -4.24 105.19 98.95 3kd9 n GLY 279 Ca -0.15 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.48 3kd9 n GLY 279 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kd9 n ASP 280 N 0.39 0.41 0.03 1.61 8.00 -1.26 -1.70 116.55 124.04 3kd9 n ASP 280 Ca 0.00 0.65 -0.11 0.00 0.71 0.00 0.00 54.79 56.04 3kd9 n ASP 280 Cb 0.00 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.25 3kd9 n ASP 280 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3kd9 h VAL 281 N 0.00 1.23 -3.94 2.53 -1.51 -1.74 -3.38 116.25 109.44 3kd9 h VAL 281 Ca 0.00 -2.97 -0.46 0.00 -1.23 0.00 0.00 66.70 62.04 3kd9 h VAL 281 Cb 0.13 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.94 3kd9 h VAL 281 CO 0.00 0.76 0.35 0.00 -1.23 0.00 0.00 177.57 177.45 3kd9 s ALA 282 N -2.64 3.15 -0.21 5.19 0.00 -0.69 -0.12 121.76 126.44 3kd9 s ALA 282 Ca -0.04 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 3kd9 s ALA 282 Cb 0.08 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3kd9 s ALA 282 CO 0.83 0.15 0.10 -2.00 0.00 0.00 0.00 175.76 174.84 3kd9 s GLU 283 N -2.43 3.98 0.00 0.00 2.12 0.65 -4.69 118.70 118.33 3kd9 s GLU 283 Ca 0.54 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.54 3kd9 s GLU 283 Cb -0.16 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3kd9 s GLU 283 CO 0.20 0.14 0.00 -2.37 -0.54 0.00 0.00 175.26 172.70 3kd9 n THR 284 N 3.97 0.00 -4.49 -1.70 5.66 -0.66 -3.73 114.28 113.33 3kd9 n THR 284 Ca -0.16 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 3kd9 n THR 284 Cb 0.52 -0.26 -0.13 0.00 -1.55 0.00 0.00 70.33 68.91 3kd9 n THR 284 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kd9 s ARG 285 N 0.12 1.54 -0.05 1.09 1.70 -1.26 -0.81 118.95 121.27 3kd9 s ARG 285 Ca 0.00 -1.28 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 3kd9 s ARG 285 Cb 0.00 -1.94 -0.02 0.00 -0.57 0.00 0.00 34.95 32.41 3kd9 s ARG 285 CO 0.00 0.47 0.95 -1.58 -1.08 0.00 0.00 175.30 174.06 3kd9 s HIS 286 N -1.01 3.59 0.42 5.89 5.65 -0.64 -0.63 115.29 128.56 3kd9 s HIS 286 Ca 0.14 1.59 0.24 0.00 0.25 0.00 0.00 55.06 57.28 3kd9 s HIS 286 Cb -0.10 -3.10 1.33 0.00 -1.18 0.00 0.00 32.58 29.53 3kd9 s HIS 286 CO 0.06 -0.08 2.05 0.28 -0.65 0.00 0.00 174.74 176.39 3kd9 h VAL 287 N 4.92 0.71 0.00 0.89 2.07 -1.42 0.68 116.25 124.10 3kd9 h VAL 287 Ca -0.37 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 3kd9 h VAL 287 Cb 1.19 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3kd9 h VAL 287 CO 0.79 0.14 -0.73 -0.38 0.02 0.00 0.00 177.57 177.41 3kd9 n ILE 288 N -3.81 1.45 0.21 4.57 5.41 -1.26 -4.53 119.36 121.40 3kd9 n ILE 288 Ca -0.02 0.17 0.10 0.00 1.00 0.00 0.00 62.75 64.00 3kd9 n ILE 288 Cb 0.24 -2.34 0.19 0.00 -0.71 0.00 0.00 39.64 37.02 3kd9 n ILE 288 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3kd9 h THR 289 N -1.00 0.22 0.00 1.39 1.35 -1.96 -3.47 112.91 109.43 3kd9 h THR 289 Ca -0.05 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3kd9 h THR 289 Cb 0.70 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3kd9 h THR 289 CO -0.03 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3kd9 n GLY 290 N 1.01 2.86 3.73 5.82 0.00 0.23 -4.99 105.19 113.85 3kd9 n GLY 290 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3kd9 n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kd9 s ARG 291 N 0.00 0.91 0.35 1.61 1.81 -1.26 -4.37 118.95 118.00 3kd9 s ARG 291 Ca 0.00 0.51 -0.26 0.00 -1.72 0.00 0.00 55.73 54.27 3kd9 s ARG 291 Cb 0.00 -1.79 -0.09 0.00 -0.45 0.00 0.00 34.95 32.61 3kd9 s ARG 291 CO 0.00 -2.40 1.01 1.03 -0.68 0.00 0.00 175.30 174.25 3kd9 s ARG 292 N -5.06 4.43 0.29 3.54 1.81 -1.26 -1.62 118.95 121.08 3kd9 s ARG 292 Ca 0.64 1.46 0.02 0.00 -1.72 0.00 0.00 55.73 56.13 3kd9 s ARG 292 Cb -0.17 -2.75 -0.02 0.00 -0.45 0.00 0.00 34.95 31.55 3kd9 s ARG 292 CO 0.56 0.11 0.30 0.14 -0.68 0.00 0.00 175.30 175.72 3kd9 s VAL 293 N -1.57 0.00 -0.24 3.52 -7.23 0.01 -4.88 120.40 110.01 3kd9 s VAL 293 Ca 0.52 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3kd9 s VAL 293 Cb -0.22 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.28 3kd9 s VAL 293 CO 0.28 0.00 0.05 0.86 -0.31 0.00 0.00 175.10 175.98 3kd9 s TRP 294 N -3.58 1.26 -0.64 2.82 -0.00 -1.26 -1.66 118.94 115.88 3kd9 s TRP 294 Ca 0.37 -1.17 0.05 0.00 -0.00 0.00 0.00 56.10 55.35 3kd9 s TRP 294 Cb 0.03 -1.25 0.18 0.00 -0.00 0.00 0.00 33.47 32.43 3kd9 s TRP 294 CO 0.21 -0.71 0.49 0.28 -0.00 0.00 0.00 176.95 177.21 3kd9 n VAL 295 N 4.98 1.10 -0.92 5.86 0.31 -1.26 -5.04 118.33 123.36 3kd9 n VAL 295 Ca -0.07 -4.60 -0.41 0.00 -0.01 0.00 0.00 64.34 59.25 3kd9 n VAL 295 Cb 0.45 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 31.21 3kd9 n VAL 295 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3kd9 n PRO 296 N 2.02 0.65 -4.97 5.55 -0.04 -1.26 -4.88 135.00 132.08 3kd9 n PRO 296 Ca 0.23 -1.46 -0.27 0.00 -0.04 0.00 0.00 63.50 61.96 3kd9 n PRO 296 Cb 0.38 -2.85 -0.16 0.00 -0.04 0.00 0.00 33.50 30.84 3kd9 n PRO 296 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kd9 s LEU 297 N 2.55 1.98 0.41 1.53 1.02 -1.26 -4.98 118.68 119.92 3kd9 s LEU 297 Ca 0.66 -0.39 0.15 0.00 0.02 0.00 0.00 54.13 54.57 3kd9 s LEU 297 Cb 0.12 -1.08 1.02 0.00 0.02 0.00 0.00 46.19 46.27 3kd9 s LEU 297 CO 0.24 0.20 1.88 0.00 0.02 0.00 0.00 176.35 178.68 3kd9 h ALA 298 N 6.07 2.09 -0.28 4.21 0.00 -1.98 -2.22 119.26 127.16 3kd9 h ALA 298 Ca -0.34 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kd9 h ALA 298 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kd9 h ALA 298 CO 0.48 -0.34 0.12 -1.35 0.00 0.00 0.00 179.25 178.15 3kd9 h PRO 299 N 0.47 0.41 -0.46 0.00 0.11 -1.98 -1.03 132.00 129.52 3kd9 h PRO 299 Ca 0.43 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.38 3kd9 h PRO 299 Cb 0.97 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3kd9 h PRO 299 CO -0.17 0.42 -0.10 0.00 -0.21 0.00 0.00 178.00 177.94 3kd9 h ALA 300 N 0.97 0.63 -0.52 -0.75 0.00 -1.90 -2.85 119.26 114.85 3kd9 h ALA 300 Ca 0.09 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3kd9 h ALA 300 Cb 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3kd9 h ALA 300 CO -0.01 0.52 0.18 0.78 0.00 0.00 0.00 179.25 180.72 3kd9 h GLY 301 N 0.72 0.69 0.59 0.00 0.00 -1.15 0.25 103.07 104.16 3kd9 h GLY 301 Ca 0.12 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.42 3kd9 h GLY 301 CO 0.04 -0.00 0.29 3.43 0.00 0.00 0.00 176.54 180.30 3kd9 h ASN 302 N 0.35 0.39 0.37 0.19 2.35 -1.08 -0.96 115.58 117.20 3kd9 h ASN 302 Ca 0.25 0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.88 3kd9 h ASN 302 Cb 0.28 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3kd9 h ASN 302 CO -0.26 0.25 -0.71 0.11 -1.65 0.00 0.00 177.43 175.17 3kd9 h LYS 303 N 0.54 0.29 -0.67 0.81 1.57 -1.09 -1.43 116.57 116.60 3kd9 h LYS 303 Ca 0.28 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kd9 h LYS 303 Cb 0.25 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3kd9 h LYS 303 CO -0.22 0.88 0.41 0.52 -0.57 0.00 0.00 179.45 180.48 3kd9 h MET 304 N 0.20 0.90 -0.10 3.15 2.86 0.02 0.81 114.93 122.77 3kd9 h MET 304 Ca -0.02 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 3kd9 h MET 304 Cb 1.26 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3kd9 h MET 304 CO 0.11 0.63 -0.43 0.78 1.06 0.00 0.00 176.91 179.07 3kd9 h GLY 305 N 0.91 0.25 0.91 8.32 0.00 -1.04 -1.70 103.07 110.72 3kd9 h GLY 305 Ca 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3kd9 h GLY 305 CO -0.05 0.22 0.07 -1.82 0.00 0.00 0.00 176.54 174.96 3kd9 h TYR 306 N 0.19 0.60 0.00 5.60 3.20 -0.15 -1.44 116.97 124.98 3kd9 h TYR 306 Ca 0.02 -0.08 -0.17 0.00 3.14 0.00 0.00 58.73 61.63 3kd9 h TYR 306 Cb 0.84 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3kd9 h TYR 306 CO 0.01 0.62 -0.82 -0.39 -1.64 0.00 0.00 178.16 175.94 3kd9 h VAL 307 N 0.41 1.57 0.03 1.81 -1.51 -0.73 -2.05 116.25 115.79 3kd9 h VAL 307 Ca 0.11 -2.77 0.01 0.00 -1.23 0.00 0.00 66.70 62.82 3kd9 h VAL 307 Cb 0.34 2.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 3kd9 h VAL 307 CO 0.00 0.79 -0.06 0.00 -1.23 0.00 0.00 177.57 177.08 3kd9 h ALA 308 N 1.16 -0.09 -0.56 5.19 0.00 -1.20 -1.20 119.26 122.56 3kd9 h ALA 308 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kd9 h ALA 308 Cb 1.45 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3kd9 h ALA 308 CO 0.11 -0.57 0.29 0.78 0.00 0.00 0.00 179.25 179.87 3kd9 h GLY 309 N -0.12 0.83 0.93 0.00 0.00 -1.22 -1.54 103.07 101.95 3kd9 h GLY 309 Ca 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3kd9 h GLY 309 CO -0.05 0.35 -0.03 1.76 0.00 0.00 0.00 176.54 178.58 3kd9 h SER 310 N 0.79 -0.07 -0.81 0.19 0.02 -0.71 -1.75 113.55 111.21 3kd9 h SER 310 Ca 0.20 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3kd9 h SER 310 Cb 0.05 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 3kd9 h SER 310 CO -0.03 0.02 0.34 0.78 -1.14 0.00 0.00 176.83 176.81 3kd9 h ASN 311 N -0.16 1.11 -0.18 3.07 2.35 -1.08 0.53 115.58 121.22 3kd9 h ASN 311 Ca -0.01 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3kd9 h ASN 311 Cb 0.14 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3kd9 h ASN 311 CO 0.01 0.97 0.11 0.40 -1.65 0.00 0.00 177.43 177.27 3kd9 h ILE 312 N 1.18 1.07 0.00 2.81 2.04 -1.18 -1.19 117.51 122.24 3kd9 h ILE 312 Ca 0.27 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3kd9 h ILE 312 Cb 0.19 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3kd9 h ILE 312 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.19 3kd9 n ALA 313 N -2.16 2.02 -1.20 1.87 0.00 -0.67 -4.83 120.51 115.55 3kd9 n ALA 313 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kd9 n ALA 313 Cb 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3kd9 n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd9 n GLY 314 N -0.02 0.53 3.00 0.00 0.00 -0.45 -4.97 105.19 103.28 3kd9 n GLY 314 Ca 0.05 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3kd9 n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd9 s LYS 315 N -2.46 1.72 0.18 1.61 -0.14 0.15 -4.99 119.74 115.81 3kd9 s LYS 315 Ca 0.00 -1.42 -0.33 0.00 -1.36 0.00 0.00 55.97 52.86 3kd9 s LYS 315 Cb 0.00 -2.86 -0.15 0.00 -1.68 0.00 0.00 37.83 33.14 3kd9 s LYS 315 CO 0.00 -0.73 1.25 0.39 -0.76 0.00 0.00 175.35 175.50 3kd9 n GLU 316 N 4.46 1.41 -3.64 1.68 -0.58 -1.26 -3.03 120.64 119.68 3kd9 n GLU 316 Ca -0.07 0.50 -0.04 0.00 -0.42 0.00 0.00 57.16 57.14 3kd9 n GLU 316 Cb 0.42 -2.06 -0.06 0.00 -0.57 0.00 0.00 31.44 29.18 3kd9 n GLU 316 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3kd9 s LEU 317 N 0.52 -1.00 -0.08 -4.62 2.96 -1.26 -4.94 118.68 110.26 3kd9 s LEU 317 Ca 0.73 1.49 -0.03 0.00 -0.22 0.00 0.00 54.13 56.10 3kd9 s LEU 317 Cb -0.80 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.16 3kd9 s LEU 317 CO 0.51 -0.22 0.05 -1.00 -1.32 0.00 0.00 176.35 174.36 3kd9 s HIS 318 N 2.15 3.29 -0.26 5.38 3.76 -1.26 -4.50 115.29 123.84 3kd9 s HIS 318 Ca -0.08 0.27 -0.12 0.00 -0.15 0.00 0.00 55.06 54.99 3kd9 s HIS 318 Cb -0.08 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.75 3kd9 s HIS 318 CO -0.19 0.55 0.21 0.12 -0.85 0.00 0.00 174.74 174.58 3kd9 s PHE 319 N -0.98 3.26 0.42 1.40 5.36 0.85 -4.98 117.98 123.31 3kd9 s PHE 319 Ca 0.16 0.21 0.13 0.00 -0.96 0.00 0.00 56.93 56.47 3kd9 s PHE 319 Cb -0.12 -2.37 0.90 0.00 -0.34 0.00 0.00 43.02 41.09 3kd9 s PHE 319 CO 0.05 -0.08 1.94 -1.00 -1.46 0.00 0.00 175.22 174.66 3kd9 h PRO 320 N 8.01 0.02 0.00 10.12 0.13 -1.97 -3.43 132.00 144.88 3kd9 h PRO 320 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kd9 h PRO 320 Cb 1.18 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kd9 h PRO 320 CO 0.60 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 3kd9 n GLY 321 N -0.84 0.49 3.52 1.56 0.00 -1.26 -4.61 105.19 104.05 3kd9 n GLY 321 Ca -0.02 -2.27 -0.24 0.00 0.00 0.00 0.00 46.02 43.49 3kd9 n GLY 321 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kd9 s VAL 322 N -0.49 2.53 -1.32 1.61 -7.23 0.20 -4.77 120.40 110.93 3kd9 s VAL 322 Ca 0.00 -2.28 0.20 0.00 -1.81 0.00 0.00 61.98 58.09 3kd9 s VAL 322 Cb 0.00 -2.47 -0.13 0.00 0.56 0.00 0.00 36.38 34.34 3kd9 s VAL 322 CO 0.00 -0.34 0.91 -0.11 -0.31 0.00 0.00 175.10 175.25 3kd9 n LEU 323 N -0.71 1.34 -0.21 1.32 7.94 -1.26 -1.22 117.00 124.20 3kd9 n LEU 323 Ca -0.05 -0.61 -0.03 0.00 -1.11 0.00 0.00 56.01 54.21 3kd9 n LEU 323 Cb 0.61 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.55 3kd9 n LEU 323 CO 0.40 0.28 -0.03 0.61 -1.11 0.00 0.00 177.39 177.55 3kd9 n GLY 324 N 1.41 0.59 3.74 -3.96 0.00 -1.26 -1.88 105.19 103.84 3kd9 n GLY 324 Ca 0.06 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3kd9 n GLY 324 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kd9 n THR 325 N -2.90 2.04 -3.50 2.61 -1.04 -1.26 -4.61 114.28 105.62 3kd9 n THR 325 Ca -0.03 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.33 3kd9 n THR 325 Cb 0.10 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 66.77 3kd9 n THR 325 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kd9 s ALA 326 N -1.11 -1.74 -0.06 2.41 0.00 -0.98 -4.98 121.76 115.30 3kd9 s ALA 326 Ca 0.55 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 53.41 3kd9 s ALA 326 Cb -0.52 0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.85 3kd9 s ALA 326 CO 0.63 -0.50 0.42 0.54 0.00 0.00 0.00 175.76 176.86 3kd9 s VAL 327 N -2.03 0.03 0.14 0.00 0.11 -1.26 -1.81 120.40 115.58 3kd9 s VAL 327 Ca -0.06 -0.25 -0.06 0.00 -2.93 0.00 0.00 61.98 58.68 3kd9 s VAL 327 Cb -0.00 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3kd9 s VAL 327 CO 0.02 -0.14 0.32 1.07 -3.33 0.00 0.00 175.10 173.04 3kd9 n THR 328 N 1.61 0.00 -3.49 5.04 5.66 -0.60 -5.02 114.28 117.48 3kd9 n THR 328 Ca -0.19 -0.36 -0.09 0.00 -3.05 0.00 0.00 64.05 60.36 3kd9 n THR 328 Cb 0.56 0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 3kd9 n THR 328 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 3kd9 s LYS 329 N -2.03 0.92 -0.19 1.09 -2.85 -1.26 -1.19 119.74 114.22 3kd9 s LYS 329 Ca 0.07 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.73 3kd9 s LYS 329 Cb -0.02 0.42 0.05 0.00 -2.06 0.00 0.00 37.83 36.22 3kd9 s LYS 329 CO 0.04 -0.40 -0.06 0.12 0.10 0.00 0.00 175.35 175.15 3kd9 s PHE 330 N -3.14 2.04 0.00 1.78 2.19 -0.56 -4.71 117.98 115.59 3kd9 s PHE 330 Ca 0.03 -1.38 0.00 0.00 0.33 0.00 0.00 56.93 55.91 3kd9 s PHE 330 Cb -0.01 -1.46 0.00 0.00 -1.31 0.00 0.00 43.02 40.24 3kd9 s PHE 330 CO -0.09 -0.69 0.00 -1.33 1.83 0.00 0.00 175.22 174.94 3kd9 n MET 331 N 4.78 0.00 0.00 10.12 2.81 -1.26 -1.45 117.12 132.12 3kd9 n MET 331 Ca -0.13 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.87 3kd9 n MET 331 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 3kd9 n MET 331 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3kd9 n ASP 332 N 8.61 2.04 -4.58 7.83 5.75 -1.26 -4.85 116.55 130.08 3kd9 n ASP 332 Ca 0.00 -1.52 -0.41 0.00 -0.01 0.00 0.00 54.79 52.85 3kd9 n ASP 332 Cb 0.00 0.44 -0.07 0.00 -1.03 0.00 0.00 41.12 40.46 3kd9 n ASP 332 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kd9 s VAL 333 N -2.33 4.98 0.26 2.12 0.11 -0.53 -4.68 120.40 120.33 3kd9 s VAL 333 Ca 0.18 0.65 -0.09 0.00 -2.93 0.00 0.00 61.98 59.79 3kd9 s VAL 333 Cb 0.17 -3.96 -0.07 0.00 -1.53 0.00 0.00 36.38 30.99 3kd9 s VAL 333 CO 0.52 -0.15 0.57 -1.61 -3.33 0.00 0.00 175.10 171.11 3kd9 s GLU 334 N 2.50 3.77 -0.05 1.54 2.02 0.13 -1.49 118.70 127.12 3kd9 s GLU 334 Ca 0.22 0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.43 3kd9 s GLU 334 Cb -0.15 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.49 3kd9 s GLU 334 CO 0.12 0.26 0.13 -1.50 0.02 0.00 0.00 175.26 174.29 3kd9 s ILE 335 N -1.92 -0.03 0.13 -1.63 2.07 -0.33 -0.24 121.20 119.25 3kd9 s ILE 335 Ca 0.47 0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.66 3kd9 s ILE 335 Cb -0.11 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.31 3kd9 s ILE 335 CO 0.23 0.04 0.42 -0.83 -1.91 0.00 0.00 174.94 172.90 3kd9 s GLY 336 N 0.70 -0.24 0.24 1.50 0.00 0.13 -1.55 107.32 108.09 3kd9 s GLY 336 Ca -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 3kd9 s GLY 336 CO -0.03 -0.30 0.21 -1.59 0.00 0.00 0.00 173.10 171.38 3kd9 s LYS 337 N -3.81 1.38 -0.29 2.90 -2.85 -0.75 0.39 119.74 116.70 3kd9 s LYS 337 Ca 0.04 -1.68 -0.16 0.00 -1.00 0.00 0.00 55.97 53.17 3kd9 s LYS 337 Cb 0.02 0.31 0.17 0.00 -2.06 0.00 0.00 37.83 36.27 3kd9 s LYS 337 CO -0.11 -0.49 1.10 -0.08 0.10 0.00 0.00 175.35 175.87 3kd9 s THR 338 N -3.95 -0.08 0.00 3.79 -1.32 -0.82 -2.31 115.64 110.96 3kd9 s THR 338 Ca 0.37 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 3kd9 s THR 338 Cb 0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 3kd9 s THR 338 CO 0.15 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 3kd9 n GLY 339 N 3.76 -1.90 3.77 6.08 0.00 -0.79 -1.19 105.19 114.93 3kd9 n GLY 339 Ca -0.16 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3kd9 n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kd9 s LEU 340 N 0.00 4.28 0.59 0.99 1.43 0.14 -4.79 118.68 121.32 3kd9 s LEU 340 Ca 0.00 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 55.18 3kd9 s LEU 340 Cb 0.00 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.26 3kd9 s LEU 340 CO 0.00 -0.37 0.87 0.28 0.23 0.00 0.00 176.35 177.36 3kd9 s THR 341 N -1.48 3.08 0.38 5.49 -1.32 -1.26 -3.92 115.64 116.60 3kd9 s THR 341 Ca 0.53 -0.31 0.10 0.00 -1.21 0.00 0.00 61.69 60.80 3kd9 s THR 341 Cb -0.25 -3.22 0.13 0.00 -1.51 0.00 0.00 72.50 67.65 3kd9 s THR 341 CO 0.32 -0.20 1.88 -0.08 -2.21 0.00 0.00 174.62 174.33 3kd9 h GLU 342 N -0.15 0.19 0.25 7.08 4.81 -1.97 0.17 114.58 124.97 3kd9 h GLU 342 Ca -0.44 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3kd9 h GLU 342 Cb 1.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kd9 h GLU 342 CO 0.58 0.40 -0.12 0.52 -0.73 0.00 0.00 179.01 179.66 3kd9 h MET 343 N 0.17 -0.33 -0.23 1.92 2.86 -1.97 -2.23 114.93 115.13 3kd9 h MET 343 Ca 0.03 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3kd9 h MET 343 Cb 0.48 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3kd9 h MET 343 CO 0.03 -0.05 0.12 0.93 1.06 0.00 0.00 176.91 179.01 3kd9 h GLU 344 N -0.59 0.24 -0.68 1.72 5.08 -1.87 0.43 114.58 118.91 3kd9 h GLU 344 Ca -0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3kd9 h GLU 344 Cb 0.43 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3kd9 h GLU 344 CO 0.06 0.16 0.43 0.00 -1.00 0.00 0.00 179.01 178.65 3kd9 h ALA 345 N 1.11 0.89 -0.40 3.43 0.00 -0.69 -0.69 119.26 122.92 3kd9 h ALA 345 Ca 0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3kd9 h ALA 345 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kd9 h ALA 345 CO -0.06 0.20 -0.36 -0.07 0.00 0.00 0.00 179.25 178.96 3kd9 h LEU 346 N 0.84 1.01 -1.65 0.00 3.38 -1.21 -2.39 115.31 115.28 3kd9 h LEU 346 Ca 0.27 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3kd9 h LEU 346 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3kd9 h LEU 346 CO -0.11 1.26 0.33 0.50 0.09 0.00 0.00 178.44 180.51 3kd9 h LYS 347 N 0.78 0.42 -0.02 1.13 1.63 -0.43 0.38 116.57 120.46 3kd9 h LYS 347 Ca 0.07 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3kd9 h LYS 347 Cb 0.96 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3kd9 h LYS 347 CO 0.09 0.28 0.00 0.39 -3.45 0.00 0.00 179.45 176.76 3kd9 n GLU 348 N -4.47 1.32 -0.87 1.90 -0.58 -0.31 -4.92 120.64 112.70 3kd9 n GLU 348 Ca 0.07 -0.47 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 3kd9 n GLU 348 Cb 0.24 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3kd9 n GLU 348 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kd9 n GLY 349 N 1.06 0.52 3.79 0.62 0.00 0.12 -5.05 105.19 106.27 3kd9 n GLY 349 Ca 0.21 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3kd9 n GLY 349 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kd9 s TYR 350 N -2.00 2.88 -0.48 1.61 2.02 -0.93 -4.99 117.35 115.46 3kd9 s TYR 350 Ca 0.00 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.07 3kd9 s TYR 350 Cb 0.00 -3.06 0.08 0.00 -0.40 0.00 0.00 41.96 38.57 3kd9 s TYR 350 CO 0.00 -1.28 0.40 0.34 -1.57 0.00 0.00 175.55 173.44 3kd9 s ASP 351 N -2.67 6.15 0.18 2.29 2.15 -1.26 -4.70 116.67 118.80 3kd9 s ASP 351 Ca 0.65 -1.36 0.11 0.00 0.43 0.00 0.00 52.55 52.38 3kd9 s ASP 351 Cb -0.18 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 3kd9 s ASP 351 CO 0.37 -0.66 -0.21 0.68 -0.17 0.00 0.00 175.17 175.18 3kd9 s VAL 352 N 1.64 2.52 0.16 1.11 -7.23 -1.26 0.64 120.40 117.97 3kd9 s VAL 352 Ca 0.04 -1.91 0.10 0.00 -1.81 0.00 0.00 61.98 58.40 3kd9 s VAL 352 Cb -0.25 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3kd9 s VAL 352 CO 0.06 -0.08 -0.22 0.00 -0.31 0.00 0.00 175.10 174.55 3kd9 s ARG 353 N -2.61 1.35 0.38 4.82 1.70 -0.69 -4.86 118.95 119.04 3kd9 s ARG 353 Ca 0.21 -1.39 0.06 0.00 -0.47 0.00 0.00 55.73 54.14 3kd9 s ARG 353 Cb -0.08 -1.62 -0.02 0.00 -0.57 0.00 0.00 34.95 32.65 3kd9 s ARG 353 CO 0.10 0.36 0.22 0.95 -1.08 0.00 0.00 175.30 175.86 3kd9 s THR 354 N -1.55 0.23 -0.17 4.99 -4.23 -1.26 -1.41 115.64 112.23 3kd9 s THR 354 Ca 0.15 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.38 3kd9 s THR 354 Cb -0.08 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.47 3kd9 s THR 354 CO 0.07 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 175.02 3kd9 s ALA 355 N -3.28 -1.87 -0.06 3.99 0.00 -0.95 -4.95 121.76 114.64 3kd9 s ALA 355 Ca 0.32 1.65 -0.02 0.00 0.00 0.00 0.00 51.96 53.91 3kd9 s ALA 355 Cb 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.42 3kd9 s ALA 355 CO 0.22 -0.32 0.02 0.12 0.00 0.00 0.00 175.76 175.81 3kd9 s PHE 356 N -0.59 0.49 0.09 0.00 5.36 -1.26 -0.91 117.98 121.15 3kd9 s PHE 356 Ca -0.03 -0.04 0.05 0.00 -0.96 0.00 0.00 56.93 55.95 3kd9 s PHE 356 Cb -0.02 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.92 3kd9 s PHE 356 CO 0.02 -0.29 -0.14 0.96 -1.46 0.00 0.00 175.22 174.31 3kd9 s ILE 357 N 2.03 1.16 0.06 3.12 -4.36 -0.20 -4.97 121.20 118.05 3kd9 s ILE 357 Ca 0.05 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 3kd9 s ILE 357 Cb -0.12 -1.22 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 3kd9 s ILE 357 CO -0.05 -0.30 0.11 -0.75 0.24 0.00 0.00 174.94 174.19 3kd9 s LYS 358 N -2.08 3.03 0.30 0.37 2.20 -1.26 -0.53 119.74 121.77 3kd9 s LYS 358 Ca 0.02 -0.61 -0.12 0.00 -0.36 0.00 0.00 55.97 54.90 3kd9 s LYS 358 Cb -0.08 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.47 3kd9 s LYS 358 CO 0.02 0.59 0.63 0.00 -0.36 0.00 0.00 175.35 176.23 3kd9 n ALA 359 N 0.53 -1.42 -2.51 3.13 0.00 0.80 -4.98 120.51 116.05 3kd9 n ALA 359 Ca -0.08 -0.98 -0.26 0.00 0.00 0.00 0.00 53.44 52.11 3kd9 n ALA 359 Cb 0.52 0.77 -0.10 0.00 0.00 0.00 0.00 19.45 20.64 3kd9 n ALA 359 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kd9 s SER 360 N -2.63 3.91 0.41 0.00 0.15 -1.26 -0.73 113.70 113.55 3kd9 s SER 360 Ca 0.13 -0.72 0.26 0.00 0.70 0.00 0.00 55.95 56.32 3kd9 s SER 360 Cb -0.04 -0.52 0.75 0.00 -1.71 0.00 0.00 66.02 64.50 3kd9 s SER 360 CO 0.09 0.10 1.75 0.00 1.20 0.00 0.00 173.24 176.38 3kd9 h THR 361 N 2.85 0.00 -4.32 6.45 1.03 -1.64 -3.44 112.91 113.85 3kd9 h THR 361 Ca -0.46 -0.70 -0.18 0.00 -0.01 0.00 0.00 66.41 65.06 3kd9 h THR 361 Cb 1.21 1.68 -0.14 0.00 -1.07 0.00 0.00 68.15 69.83 3kd9 h THR 361 CO 0.52 0.00 -0.52 -0.13 -0.01 0.00 0.00 175.52 175.39 3kd9 s ARG 362 N -3.31 1.16 0.60 0.00 3.00 -1.26 -4.13 118.95 114.99 3kd9 s ARG 362 Ca 0.06 -1.46 -0.20 0.00 0.00 0.00 0.00 55.73 54.14 3kd9 s ARG 362 Cb 0.08 0.30 -0.03 0.00 0.00 0.00 0.00 34.95 35.30 3kd9 s ARG 362 CO 0.60 -0.39 1.31 -2.30 0.00 0.00 0.00 175.30 174.52 3kd9 n PRO 363 N -0.22 1.37 -1.06 3.54 -0.02 -1.26 -4.64 135.00 132.70 3kd9 n PRO 363 Ca -0.02 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 3kd9 n PRO 363 Cb 0.64 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3kd9 n PRO 363 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3kd9 n HIS 364 N -1.51 1.65 0.00 6.00 1.44 -1.26 -2.25 115.22 119.29 3kd9 n HIS 364 Ca 0.13 -2.42 0.00 0.00 -2.01 0.00 0.00 57.72 53.42 3kd9 n HIS 364 Cb 0.46 -2.05 0.00 0.00 0.12 0.00 0.00 29.99 28.52 3kd9 n HIS 364 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 3kd9 n TYR 365 N 3.56 -1.86 -1.65 -1.40 0.18 -1.26 -5.11 117.16 109.61 3kd9 n TYR 365 Ca 0.61 0.00 -0.47 0.00 1.88 0.00 0.00 57.90 59.92 3kd9 n TYR 365 Cb 0.31 0.45 -0.04 0.00 -0.38 0.00 0.00 39.34 39.68 3kd9 n TYR 365 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 3kd9 n TYR 366 N -2.40 2.09 -1.97 -3.48 9.36 -0.95 -4.91 117.16 114.89 3kd9 n TYR 366 Ca 0.00 0.36 -0.38 0.00 3.32 0.00 0.00 57.90 61.20 3kd9 n TYR 366 Cb 0.00 -2.49 0.02 0.00 -0.63 0.00 0.00 39.34 36.24 3kd9 n TYR 366 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3kd9 s PRO 367 N 0.72 3.54 0.00 2.98 0.04 -1.26 -3.46 135.00 137.56 3kd9 s PRO 367 Ca 0.79 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.94 3kd9 s PRO 367 Cb -0.74 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3kd9 s PRO 367 CO 0.41 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3kd9 n GLY 368 N 0.62 0.71 3.62 0.56 0.00 -1.26 -5.02 105.19 104.42 3kd9 n GLY 368 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3kd9 n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kd9 s GLY 369 N -1.52 1.05 0.45 -0.02 0.00 -1.22 -4.88 107.32 101.18 3kd9 s GLY 369 Ca 0.00 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.34 3kd9 s GLY 369 CO 0.00 3.25 0.62 0.54 0.00 0.00 0.00 173.10 177.50 3kd9 n ARG 370 N 7.97 0.40 -3.94 2.90 5.12 -1.26 -4.83 116.66 123.02 3kd9 n ARG 370 Ca 0.22 -1.96 -0.32 0.00 -1.93 0.00 0.00 57.85 53.85 3kd9 n ARG 370 Cb 0.45 -0.32 -0.05 0.00 -1.16 0.00 0.00 32.46 31.38 3kd9 n ARG 370 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3kd9 s GLU 371 N -4.02 3.36 -0.05 5.56 2.02 -1.26 -1.67 118.70 122.64 3kd9 s GLU 371 Ca 0.43 -0.39 -0.03 0.00 0.02 0.00 0.00 54.97 55.00 3kd9 s GLU 371 Cb -0.03 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.19 3kd9 s GLU 371 CO 0.28 0.65 0.11 -1.50 0.02 0.00 0.00 175.26 174.82 3kd9 s ILE 372 N -1.36 -0.03 -0.09 -1.63 2.07 0.09 -2.21 121.20 118.05 3kd9 s ILE 372 Ca 0.29 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.65 3kd9 s ILE 372 Cb -0.13 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 3kd9 s ILE 372 CO 0.21 0.04 -0.15 0.26 -1.91 0.00 0.00 174.94 173.39 3kd9 s TRP 373 N 0.63 2.72 -0.06 3.50 0.51 0.03 -0.14 118.94 126.13 3kd9 s TRP 373 Ca -0.05 -0.45 0.03 0.00 -2.12 0.00 0.00 56.10 53.51 3kd9 s TRP 373 Cb -0.07 -1.73 0.01 0.00 -0.81 0.00 0.00 33.47 30.87 3kd9 s TRP 373 CO -0.03 -0.05 -0.15 -0.51 -0.51 0.00 0.00 176.95 175.71 3kd9 s LEU 374 N -0.16 1.79 -0.15 2.99 1.02 0.31 -1.64 118.68 122.84 3kd9 s LEU 374 Ca -0.01 -0.35 -0.03 0.00 0.02 0.00 0.00 54.13 53.76 3kd9 s LEU 374 Cb -0.13 -0.94 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 3kd9 s LEU 374 CO 0.03 0.08 -0.04 -0.75 0.02 0.00 0.00 176.35 175.69 3kd9 s LYS 375 N 0.44 3.58 -0.03 1.70 2.47 0.68 -1.03 119.74 127.55 3kd9 s LYS 375 Ca -0.12 -0.53 0.05 0.00 -1.56 0.00 0.00 55.97 53.81 3kd9 s LYS 375 Cb -0.15 -2.87 -0.01 0.00 -1.46 0.00 0.00 37.83 33.34 3kd9 s LYS 375 CO 0.04 0.28 -0.17 0.20 0.16 0.00 0.00 175.35 175.87 3kd9 s GLY 376 N 0.25 0.87 -0.12 5.54 0.00 -0.09 -0.69 107.32 113.07 3kd9 s GLY 376 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.02 3kd9 s GLY 376 CO 0.03 -0.45 -0.20 0.14 0.00 0.00 0.00 173.10 172.62 3kd9 s VAL 377 N -0.14 1.86 0.03 1.40 1.01 -0.18 -2.23 120.40 122.14 3kd9 s VAL 377 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3kd9 s VAL 377 Cb -0.09 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3kd9 s VAL 377 CO 0.01 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 3kd9 s VAL 378 N 0.74 1.21 -0.44 2.92 1.01 -0.50 -0.36 120.40 124.98 3kd9 s VAL 378 Ca -0.10 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 3kd9 s VAL 378 Cb -0.16 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3kd9 s VAL 378 CO 0.01 0.12 1.20 -0.62 0.00 0.00 0.00 175.10 175.81 3kd9 s ASP 379 N -0.94 6.60 0.56 3.32 -1.08 0.50 -1.70 116.67 123.91 3kd9 s ASP 379 Ca 0.04 0.65 0.23 0.00 -0.52 0.00 0.00 52.55 52.95 3kd9 s ASP 379 Cb -0.07 -2.55 1.56 0.00 -1.46 0.00 0.00 42.92 40.39 3kd9 s ASP 379 CO 0.01 -1.25 2.19 -1.13 0.52 0.00 0.00 175.17 175.51 3kd9 h ASN 380 N 9.44 0.00 0.62 -0.34 -0.73 -0.12 0.50 115.58 124.95 3kd9 h ASN 380 Ca -0.24 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.68 3kd9 h ASN 380 Cb 1.07 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.66 3kd9 h ASN 380 CO 1.10 0.00 -1.11 -0.33 -0.37 0.00 0.00 177.43 176.72 3kd9 h GLU 381 N 0.00 0.25 -0.00 6.67 5.08 -1.91 -3.37 114.58 121.30 3kd9 h GLU 381 Ca 0.02 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kd9 h GLU 381 Cb 0.08 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3kd9 h GLU 381 CO -0.00 1.14 -0.19 0.25 -1.00 0.00 0.00 179.01 179.21 3kd9 n THR 382 N -3.57 0.00 -1.48 1.13 -2.24 -1.05 -4.97 114.28 102.10 3kd9 n THR 382 Ca -0.06 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.15 3kd9 n THR 382 Cb 0.95 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 70.17 3kd9 n THR 382 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kd9 n ASN 383 N -0.58 -4.98 -4.77 3.42 4.13 0.17 -4.93 115.26 107.72 3kd9 n ASN 383 Ca 0.02 0.41 -0.39 0.00 1.68 0.00 0.00 54.58 56.30 3kd9 n ASN 383 Cb 0.13 -3.93 -0.06 0.00 -1.54 0.00 0.00 39.78 34.39 3kd9 n ASN 383 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3kd9 s ARG 384 N -3.39 4.39 -0.13 3.52 3.52 -1.20 -1.00 118.95 124.66 3kd9 s ARG 384 Ca 0.00 0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 56.21 3kd9 s ARG 384 Cb 0.00 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3kd9 s ARG 384 CO 0.00 0.44 1.51 -1.17 -0.81 0.00 0.00 175.30 175.26 3kd9 s LEU 385 N -0.51 4.19 0.03 -0.88 2.96 -0.89 -0.37 118.68 123.21 3kd9 s LEU 385 Ca 0.34 1.92 0.21 0.00 -0.22 0.00 0.00 54.13 56.38 3kd9 s LEU 385 Cb -0.20 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.74 3kd9 s LEU 385 CO 0.21 -0.93 0.64 0.18 -1.32 0.00 0.00 176.35 175.13 3kd9 n LEU 386 N 7.20 0.33 0.00 -0.68 4.77 0.51 -4.87 117.00 124.27 3kd9 n LEU 386 Ca 0.16 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3kd9 n LEU 386 Cb 0.44 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3kd9 n LEU 386 CO 0.61 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3kd9 n GLY 387 N 1.29 1.66 2.92 -0.72 0.00 -1.05 0.24 105.19 109.53 3kd9 n GLY 387 Ca -0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 3kd9 n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kd9 s VAL 388 N -2.00 0.39 -0.03 1.61 1.01 -0.34 -1.01 120.40 120.04 3kd9 s VAL 388 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.90 3kd9 s VAL 388 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3kd9 s VAL 388 CO 0.00 0.14 -0.25 -1.10 0.00 0.00 0.00 175.10 173.89 3kd9 s GLN 389 N 0.27 2.22 -0.02 2.72 -0.21 0.13 -1.94 119.66 122.83 3kd9 s GLN 389 Ca -0.03 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.44 3kd9 s GLN 389 Cb -0.06 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.89 3kd9 s GLN 389 CO -0.00 0.52 -0.01 0.08 -2.12 0.00 0.00 175.29 173.75 3kd9 s VAL 390 N -0.51 0.23 0.07 1.09 1.01 0.16 -0.23 120.40 122.22 3kd9 s VAL 390 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3kd9 s VAL 390 Cb -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3kd9 s VAL 390 CO 0.00 0.14 -0.10 0.54 0.00 0.00 0.00 175.10 175.67 3kd9 s VAL 391 N 0.77 0.86 0.00 2.92 0.11 -0.65 0.17 120.40 124.57 3kd9 s VAL 391 Ca -0.08 -1.39 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 3kd9 s VAL 391 Cb -0.11 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 3kd9 s VAL 391 CO -0.01 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 171.95 3kd9 n GLY 392 N 1.02 0.18 3.25 6.54 0.00 0.66 -0.79 105.19 116.05 3kd9 n GLY 392 Ca -0.19 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3kd9 n GLY 392 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kd9 s SER 393 N -4.00 2.35 -1.14 1.61 0.15 -0.94 0.19 113.70 111.92 3kd9 s SER 393 Ca 0.00 -0.62 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 3kd9 s SER 393 Cb 0.00 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 3kd9 s SER 393 CO 0.00 0.07 0.91 0.47 1.20 0.00 0.00 173.24 175.88 3kd9 n ASP 394 N 1.37 -4.36 0.03 5.45 9.92 -1.26 -4.68 116.55 123.02 3kd9 n ASP 394 Ca -0.19 -0.72 -0.20 0.00 -0.53 0.00 0.00 54.79 53.14 3kd9 n ASP 394 Cb 0.54 -4.87 -0.14 0.00 -0.64 0.00 0.00 41.12 36.00 3kd9 n ASP 394 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3kd9 h ILE 395 N -1.52 1.39 -0.98 0.53 1.08 -1.94 -3.39 117.51 112.68 3kd9 h ILE 395 Ca -0.61 -2.50 0.34 0.00 -0.39 0.00 0.00 64.86 61.70 3kd9 h ILE 395 Cb 1.33 3.07 -0.17 0.00 -3.07 0.00 0.00 36.82 37.99 3kd9 h ILE 395 CO 0.48 0.70 0.42 0.25 -0.69 0.00 0.00 178.15 179.31 3kd9 h LEU 396 N -0.38 0.20 -0.41 1.44 5.85 -1.98 0.30 115.31 120.33 3kd9 h LEU 396 Ca -0.18 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3kd9 h LEU 396 Cb 1.65 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 3kd9 h LEU 396 CO 0.12 -0.29 0.03 -0.65 -0.34 0.00 0.00 178.44 177.31 3kd9 h PRO 397 N 0.13 0.71 -0.49 5.25 0.11 -2.00 -2.43 132.00 133.28 3kd9 h PRO 397 Ca 0.73 -0.21 -0.06 0.00 0.11 0.00 0.00 66.00 66.57 3kd9 h PRO 397 Cb 1.75 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.77 3kd9 h PRO 397 CO -0.73 0.77 0.08 0.00 -0.21 0.00 0.00 178.00 177.91 3kd9 h ARG 398 N 0.55 0.81 0.05 1.05 -0.00 -1.17 -2.39 114.38 113.28 3kd9 h ARG 398 Ca 0.12 -0.22 -0.24 0.00 -0.50 0.00 0.00 59.98 59.14 3kd9 h ARG 398 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.31 3kd9 h ARG 398 CO 0.02 0.82 -1.05 -0.84 0.00 0.00 0.00 179.97 178.91 3kd9 h ILE 399 N 0.69 1.48 -0.53 2.04 -0.00 -1.47 -2.10 117.51 117.61 3kd9 h ILE 399 Ca 0.15 -2.78 -0.12 0.00 -0.00 0.00 0.00 64.86 62.11 3kd9 h ILE 399 Cb 0.40 2.67 -0.02 0.00 -0.00 0.00 0.00 36.82 39.87 3kd9 h ILE 399 CO 0.01 0.82 -0.13 0.44 -0.00 0.00 0.00 178.15 179.29 3kd9 h ASP 400 N 0.13 1.03 -0.13 2.16 5.19 -1.47 0.24 116.42 123.57 3kd9 h ASP 400 Ca -0.09 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 3kd9 h ASP 400 Cb 1.73 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 3kd9 h ASP 400 CO 0.17 1.15 0.01 0.74 -3.12 0.00 0.00 179.24 178.20 3kd9 h THR 401 N 0.89 1.23 -0.29 0.35 2.02 -1.48 -2.68 112.91 112.96 3kd9 h THR 401 Ca 0.13 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3kd9 h THR 401 Cb 0.70 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3kd9 h THR 401 CO 0.05 0.22 0.19 0.00 0.37 0.00 0.00 175.52 176.36 3kd9 h ALA 402 N 0.78 1.93 -0.15 6.16 0.00 -1.25 -1.26 119.26 125.47 3kd9 h ALA 402 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3kd9 h ALA 402 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kd9 h ALA 402 CO 0.00 0.03 -0.55 0.00 0.00 0.00 0.00 179.25 178.74 3kd9 h ALA 403 N 1.84 0.77 -0.42 0.00 0.00 -0.72 -0.72 119.26 120.01 3kd9 h ALA 403 Ca 0.12 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3kd9 h ALA 403 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kd9 h ALA 403 CO -0.02 0.69 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 3kd9 h ALA 404 N 1.06 0.59 -0.42 0.00 0.00 -0.94 -0.01 119.26 119.54 3kd9 h ALA 404 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3kd9 h ALA 404 Cb 1.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3kd9 h ALA 404 CO 0.10 0.53 0.26 0.52 0.00 0.00 0.00 179.25 180.65 3kd9 h MET 405 N 0.69 0.57 -0.68 0.00 2.86 -1.12 -1.99 114.93 115.26 3kd9 h MET 405 Ca 0.10 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3kd9 h MET 405 Cb 0.72 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3kd9 h MET 405 CO 0.05 0.42 0.21 -0.07 1.06 0.00 0.00 176.91 178.59 3kd9 h LEU 406 N 0.56 0.99 -2.05 1.22 4.07 -0.98 -1.51 115.31 117.61 3kd9 h LEU 406 Ca 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3kd9 h LEU 406 Cb -0.01 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.47 3kd9 h LEU 406 CO -0.03 0.94 -0.07 -0.03 -1.08 0.00 0.00 178.44 178.16 3kd9 h MET 407 N 1.00 0.00 -0.01 1.13 4.05 -0.60 -2.61 114.93 117.89 3kd9 h MET 407 Ca 0.22 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3kd9 h MET 407 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 3kd9 h MET 407 CO -0.01 0.07 -0.51 0.00 0.23 0.00 0.00 176.91 176.70 3kd9 n ALA 408 N -2.39 3.64 -2.81 0.39 0.00 -0.78 -4.99 120.51 113.57 3kd9 n ALA 408 Ca -0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 53.44 52.74 3kd9 n ALA 408 Cb 0.16 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 18.79 3kd9 n ALA 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd9 n GLY 409 N 1.42 0.48 3.77 0.00 0.00 -0.65 -5.01 105.19 105.21 3kd9 n GLY 409 Ca 0.09 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3kd9 n GLY 409 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd9 s PHE 410 N -3.07 3.11 0.66 1.61 0.40 -0.73 -4.92 117.98 115.04 3kd9 s PHE 410 Ca 0.17 1.49 -0.01 0.00 -0.60 0.00 0.00 56.93 57.99 3kd9 s PHE 410 Cb -0.08 -3.56 0.09 0.00 0.51 0.00 0.00 43.02 39.98 3kd9 s PHE 410 CO 0.22 -1.56 0.92 0.95 0.70 0.00 0.00 175.22 176.44 3kd9 s THR 411 N -1.21 2.34 0.37 0.64 -4.23 -1.26 -2.10 115.64 110.19 3kd9 s THR 411 Ca 0.51 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 3kd9 s THR 411 Cb -0.36 -2.76 0.24 0.00 1.34 0.00 0.00 72.50 70.96 3kd9 s THR 411 CO 0.48 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.55 3kd9 h THR 412 N -0.33 1.15 -0.22 3.99 1.03 -1.41 -2.13 112.91 114.99 3kd9 h THR 412 Ca -0.39 -0.38 -0.10 0.00 -0.01 0.00 0.00 66.41 65.52 3kd9 h THR 412 Cb 1.28 0.52 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 3kd9 h THR 412 CO 0.46 0.17 -0.26 0.50 -0.01 0.00 0.00 175.52 176.38 3kd9 h LYS 413 N 0.65 0.56 -0.60 0.00 3.64 -1.89 -2.71 116.57 116.22 3kd9 h LYS 413 Ca 0.17 -0.31 0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3kd9 h LYS 413 Cb 0.03 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 3kd9 h LYS 413 CO -0.03 0.91 0.29 -0.44 -2.27 0.00 0.00 179.45 177.91 3kd9 h ASP 414 N 0.24 0.39 -0.70 4.20 3.32 -1.77 -2.28 116.42 119.83 3kd9 h ASP 414 Ca 0.03 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3kd9 h ASP 414 Cb 0.82 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3kd9 h ASP 414 CO 0.06 0.25 0.22 0.00 -1.72 0.00 0.00 179.24 178.05 3kd9 h ALA 415 N 1.35 0.92 -0.77 3.45 0.00 -1.42 -2.84 119.26 119.96 3kd9 h ALA 415 Ca 0.28 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kd9 h ALA 415 Cb 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3kd9 h ALA 415 CO -0.21 0.60 0.48 0.35 0.00 0.00 0.00 179.25 180.46 3kd9 h PHE 416 N 1.03 0.89 -0.42 0.00 3.57 -1.08 -2.52 116.94 118.41 3kd9 h PHE 416 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3kd9 h PHE 416 Cb 0.30 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3kd9 h PHE 416 CO 0.02 0.49 0.00 1.19 -2.23 0.00 0.00 178.31 177.78 3kd9 n PHE 417 N -4.64 0.67 -2.48 0.41 3.72 -1.05 -4.90 117.46 109.19 3kd9 n PHE 417 Ca 0.09 -0.31 -0.42 0.00 -0.05 0.00 0.00 57.45 56.77 3kd9 n PHE 417 Cb 0.11 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3kd9 n PHE 417 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3kd9 s THR 418 N -1.52 4.13 -1.24 4.37 2.01 -0.95 -4.92 115.64 117.51 3kd9 s THR 418 Ca 0.29 1.57 -0.19 0.00 0.31 0.00 0.00 61.69 63.66 3kd9 s THR 418 Cb 0.16 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.67 3kd9 s THR 418 CO 0.18 0.14 1.86 -0.67 -0.69 0.00 0.00 174.62 175.44 3kd9 n ASP 419 N 3.69 4.08 -4.89 3.53 2.03 -1.26 -4.98 116.55 118.75 3kd9 n ASP 419 Ca 0.08 -2.82 -0.29 0.00 0.52 0.00 0.00 54.79 52.27 3kd9 n ASP 419 Cb 0.47 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 3kd9 n ASP 419 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kd9 s LEU 420 N 6.19 3.50 0.48 -2.67 1.43 -1.26 -5.05 118.68 121.29 3kd9 s LEU 420 Ca 0.58 1.10 -0.21 0.00 -1.03 0.00 0.00 54.13 54.57 3kd9 s LEU 420 Cb 0.04 -4.08 -0.08 0.00 0.03 0.00 0.00 46.19 42.10 3kd9 s LEU 420 CO 0.09 -0.67 1.08 0.00 0.23 0.00 0.00 176.35 177.08 3kd9 s ALA 421 N -2.88 2.89 -0.09 4.21 0.00 -1.26 -5.05 121.76 119.57 3kd9 s ALA 421 Ca 0.50 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 3kd9 s ALA 421 Cb -0.11 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.74 3kd9 s ALA 421 CO 0.48 -0.46 0.25 -0.47 0.00 0.00 0.00 175.76 175.55 3kd9 s TYR 422 N -1.79 -0.28 -0.29 0.00 5.04 -1.26 -4.83 117.35 113.93 3kd9 s TYR 422 Ca 0.66 0.67 -0.25 0.00 -2.44 0.00 0.00 57.07 55.72 3kd9 s TYR 422 Cb -0.21 0.09 0.17 0.00 0.35 0.00 0.00 41.96 42.36 3kd9 s TYR 422 CO 0.25 -0.14 1.32 0.00 -1.34 0.00 0.00 175.55 175.65 3kd9 s ALA 423 N 0.17 -2.15 0.30 3.97 0.00 -1.25 -4.99 121.76 117.81 3kd9 s ALA 423 Ca -0.00 1.74 0.06 0.00 0.00 0.00 0.00 51.96 53.75 3kd9 s ALA 423 Cb -0.02 -1.68 0.77 0.00 0.00 0.00 0.00 23.12 22.18 3kd9 s ALA 423 CO 0.00 -0.14 1.73 -1.35 0.00 0.00 0.00 175.76 176.00 3kd9 h PRO 424 N 3.47 0.52 0.00 0.00 0.11 -1.99 0.18 132.00 134.29 3kd9 h PRO 424 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3kd9 h PRO 424 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kd9 h PRO 424 CO 0.16 0.35 0.00 -2.30 -0.21 0.00 0.00 178.00 175.99 3kd9 n PRO 425 N -4.93 0.07 -0.11 1.05 -0.02 -1.26 -4.05 135.00 125.74 3kd9 n PRO 425 Ca 0.23 0.18 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 3kd9 n PRO 425 Cb 0.65 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.43 3kd9 n PRO 425 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kd9 n PHE 426 N -1.74 0.00 -3.72 6.00 3.72 0.50 -5.06 117.46 117.16 3kd9 n PHE 426 Ca 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3kd9 n PHE 426 Cb 0.28 -0.85 -0.00 0.00 -0.94 0.00 0.00 39.48 37.97 3kd9 n PHE 426 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kd9 s ALA 427 N -2.44 -2.04 0.57 4.37 0.00 -0.33 -4.85 121.76 117.03 3kd9 s ALA 427 Ca -0.31 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 3kd9 s ALA 427 Cb 0.10 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 3kd9 s ALA 427 CO 0.47 -1.06 0.95 -1.25 0.00 0.00 0.00 175.76 174.86 3kd9 s PRO 428 N -2.59 3.61 0.27 0.00 0.04 -1.26 -3.94 135.00 131.13 3kd9 s PRO 428 Ca 0.16 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3kd9 s PRO 428 Cb 0.02 -2.18 0.62 0.00 0.04 0.00 0.00 34.50 33.00 3kd9 s PRO 428 CO -0.01 -0.43 1.70 0.28 0.04 0.00 0.00 177.00 178.58 3kd9 h VAL 429 N -0.04 0.51 -3.30 -0.36 2.07 -1.95 -3.19 116.25 109.99 3kd9 h VAL 429 Ca -0.45 -0.13 -0.73 0.00 0.82 0.00 0.00 66.70 66.21 3kd9 h VAL 429 Cb 1.19 0.10 -0.22 0.00 -1.52 0.00 0.00 31.29 30.84 3kd9 h VAL 429 CO 0.62 0.07 -0.29 0.26 0.02 0.00 0.00 177.57 178.25 3kd9 s TRP 430 N -5.95 3.22 0.49 1.57 0.52 -1.26 -4.97 118.94 112.57 3kd9 s TRP 430 Ca -0.12 -0.88 -0.24 0.00 0.02 0.00 0.00 56.10 54.88 3kd9 s TRP 430 Cb 0.24 -3.20 -0.07 0.00 -1.15 0.00 0.00 33.47 29.28 3kd9 s TRP 430 CO 0.77 -0.82 1.39 -3.47 0.02 0.00 0.00 176.95 174.84 3kd9 n ASP 431 N 5.31 2.99 0.09 2.95 2.03 -1.21 -4.73 116.55 123.97 3kd9 n ASP 431 Ca -0.12 1.05 0.20 0.00 0.52 0.00 0.00 54.79 56.45 3kd9 n ASP 431 Cb 0.44 -1.59 0.71 0.00 -0.72 0.00 0.00 41.12 39.96 3kd9 n ASP 431 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kd9 h PRO 432 N 1.88 0.00 0.06 -0.67 0.11 -1.89 0.19 132.00 131.68 3kd9 h PRO 432 Ca -0.51 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.33 3kd9 h PRO 432 Cb 1.29 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.42 3kd9 h PRO 432 CO 0.59 0.00 -1.12 1.25 -0.21 0.00 0.00 178.00 178.51 3kd9 h LEU 433 N 0.00 0.78 -0.81 2.35 5.85 -1.96 -2.90 115.31 118.62 3kd9 h LEU 433 Ca 0.20 -0.68 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 3kd9 h LEU 433 Cb 1.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3kd9 h LEU 433 CO -0.00 1.48 -0.32 0.40 -0.34 0.00 0.00 178.44 179.67 3kd9 h ILE 434 N 0.29 1.28 0.34 4.05 5.03 -0.99 -2.19 117.51 125.32 3kd9 h ILE 434 Ca -0.14 -1.41 -0.02 0.00 -0.12 0.00 0.00 64.86 63.17 3kd9 h ILE 434 Cb 1.78 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 37.01 3kd9 h ILE 434 CO 0.21 0.45 -0.16 0.58 -0.68 0.00 0.00 178.15 178.54 3kd9 h VAL 435 N 0.46 0.67 -0.69 1.67 2.07 -1.30 0.18 116.25 119.31 3kd9 h VAL 435 Ca 0.06 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.62 3kd9 h VAL 435 Cb 0.78 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3kd9 h VAL 435 CO 0.06 0.02 0.25 0.25 0.02 0.00 0.00 177.57 178.17 3kd9 h LEU 436 N -0.50 0.23 -0.42 2.57 5.85 -1.44 0.17 115.31 121.76 3kd9 h LEU 436 Ca -0.05 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kd9 h LEU 436 Cb 0.38 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3kd9 h LEU 436 CO 0.08 0.11 0.27 0.00 -0.34 0.00 0.00 178.44 178.56 3kd9 h ALA 437 N 1.50 0.54 0.16 1.25 0.00 -0.85 0.10 119.26 121.96 3kd9 h ALA 437 Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kd9 h ALA 437 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kd9 h ALA 437 CO -0.37 -0.03 -0.12 -0.09 0.00 0.00 0.00 179.25 178.64 3kd9 h ARG 438 N 0.56 -0.28 -0.72 0.00 9.65 0.50 -0.35 114.38 123.74 3kd9 h ARG 438 Ca 0.16 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.16 3kd9 h ARG 438 Cb -0.05 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 3kd9 h ARG 438 CO -0.05 -0.19 0.47 0.28 2.80 0.00 0.00 179.97 183.29 3kd9 h VAL 439 N -0.29 0.93 -0.07 0.20 2.07 -0.67 -0.77 116.25 117.65 3kd9 h VAL 439 Ca -0.01 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 3kd9 h VAL 439 Cb 0.26 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3kd9 h VAL 439 CO -0.01 0.11 -0.57 -0.07 0.02 0.00 0.00 177.57 177.05 3kd9 h LEU 440 N 0.60 0.62 0.16 2.57 -0.00 -0.57 -3.06 115.31 115.63 3kd9 h LEU 440 Ca 0.33 -0.68 0.01 0.00 -0.00 0.00 0.00 57.88 57.54 3kd9 h LEU 440 Cb 0.49 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 3kd9 h LEU 440 CO -0.12 1.21 -0.22 0.50 -0.00 0.00 0.00 178.44 179.81 3kd9 h LYS 441 N 0.07 -0.42 0.00 1.13 3.64 -0.36 -2.30 116.57 118.33 3kd9 h LYS 441 Ca -0.05 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kd9 h LYS 441 Cb 1.24 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3kd9 h LYS 441 CO 0.12 -0.28 0.00 0.39 -2.27 0.00 0.00 179.45 177.40 3kd9 n GLU 442 N -5.35 0.12 0.00 1.90 1.02 -0.36 -5.09 120.64 112.87 3kd9 n GLU 442 Ca -0.07 0.47 0.14 0.00 -0.02 0.00 0.00 57.16 57.68 3kd9 n GLU 442 Cb 0.26 -1.78 0.57 0.00 -0.02 0.00 0.00 31.44 30.47 3kd9 n GLU 442 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72