#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n VAL 3 N 0.00 -5.81 -2.31 0.00 0.31 -1.26 -4.91 118.33 104.35 3kiy n VAL 3 Ca 0.00 1.06 -0.32 0.00 -0.01 0.00 0.00 64.34 65.07 3kiy n VAL 3 Cb 0.00 -3.97 -0.02 0.00 -0.91 0.00 0.00 33.84 28.93 3kiy n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kiy s LYS 4 N -1.59 3.82 0.18 5.55 1.02 0.24 -4.86 119.74 124.10 3kiy s LYS 4 Ca 0.00 0.99 0.07 0.00 0.02 0.00 0.00 55.97 57.05 3kiy s LYS 4 Cb 0.00 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3kiy s LYS 4 CO 0.00 -0.38 -0.14 0.21 -0.92 0.00 0.00 175.35 174.12 3kiy s LYS 5 N -4.13 1.25 0.04 1.68 2.20 -1.26 -2.04 119.74 117.47 3kiy s LYS 5 Ca 0.59 -1.50 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 3kiy s LYS 5 Cb -0.11 -1.07 -0.02 0.00 -1.51 0.00 0.00 37.83 35.12 3kiy s LYS 5 CO 0.33 0.18 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.24 3kiy s PHE 6 N -2.76 1.79 0.91 4.03 0.40 -1.26 -5.01 117.98 116.08 3kiy s PHE 6 Ca 0.19 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 3kiy s PHE 6 Cb -0.02 -1.07 0.14 0.00 0.51 0.00 0.00 43.02 42.58 3kiy s PHE 6 CO 0.06 0.08 1.14 0.15 0.70 0.00 0.00 175.22 177.34 3kiy s LYS 7 N -1.12 1.06 -1.32 0.44 1.02 -1.26 -4.72 119.74 113.84 3kiy s LYS 7 Ca 0.07 1.47 -0.11 0.00 0.02 0.00 0.00 55.97 57.42 3kiy s LYS 7 Cb -0.09 -1.74 0.13 0.00 -0.52 0.00 0.00 37.83 35.62 3kiy s LYS 7 CO 0.02 -2.58 1.92 -0.35 -0.92 0.00 0.00 175.35 173.44 3kiy n PRO 8 N -4.19 3.39 -0.99 -1.68 -0.04 -1.26 -4.63 135.00 125.59 3kiy n PRO 8 Ca 0.11 -3.31 -0.16 0.00 -0.04 0.00 0.00 63.50 60.10 3kiy n PRO 8 Cb 0.52 -3.05 0.18 0.00 -0.04 0.00 0.00 33.50 31.11 3kiy n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3kiy n TYR 9 N 4.76 2.47 0.00 0.54 4.11 -1.26 -4.77 117.16 123.01 3kiy n TYR 9 Ca 0.43 -1.48 0.00 0.00 -0.00 0.00 0.00 57.90 56.84 3kiy n TYR 9 Cb 0.38 -0.78 0.00 0.00 -0.00 0.00 0.00 39.34 38.94 3kiy n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 3kiy n THR 10 N -0.68 0.00 -0.15 -3.48 5.66 -1.26 -5.10 114.28 109.27 3kiy n THR 10 Ca 0.46 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 3kiy n THR 10 Cb 1.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.21 3kiy n THR 10 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3kiy n PRO 11 N -0.17 -1.36 -0.61 1.09 -0.04 -1.26 -2.73 135.00 129.93 3kiy n PRO 11 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3kiy n PRO 11 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 3kiy n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kiy n SER 12 N -2.65 -2.85 -0.01 3.54 3.41 -1.26 -4.17 113.62 109.62 3kiy n SER 12 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3kiy n SER 12 Cb 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 64.21 61.90 3kiy n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kiy n ARG 13 N 0.14 0.00 0.06 4.33 0.63 -1.10 -3.84 116.66 116.87 3kiy n ARG 13 Ca -0.02 -0.24 -0.19 0.00 -0.92 0.00 0.00 57.85 56.49 3kiy n ARG 13 Cb 0.25 -0.23 -0.14 0.00 0.45 0.00 0.00 32.46 32.79 3kiy n ARG 13 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3kiy h ARG 14 N 0.00 0.29 0.00 -0.14 2.43 -1.71 -3.38 114.38 111.86 3kiy h ARG 14 Ca 0.00 -0.49 -0.14 0.00 -0.81 0.00 0.00 59.98 58.54 3kiy h ARG 14 Cb 1.01 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3kiy h ARG 14 CO 0.00 1.16 -2.08 1.19 -1.51 0.00 0.00 179.97 178.72 3kiy n PHE 15 N -3.48 0.00 -1.52 2.20 3.01 -1.26 -4.76 117.46 111.65 3kiy n PHE 15 Ca -0.20 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.78 3kiy n PHE 15 Cb 1.05 -0.66 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 3kiy n PHE 15 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 3kiy n MET 16 N -2.41 0.80 -3.98 -1.08 1.56 -1.26 -4.71 117.12 106.04 3kiy n MET 16 Ca -0.15 0.28 -0.09 0.00 -0.27 0.00 0.00 57.70 57.48 3kiy n MET 16 Cb 0.77 -1.59 -0.11 0.00 2.15 0.00 0.00 33.22 34.44 3kiy n MET 16 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3kiy s THR 17 N -0.72 0.11 0.09 1.12 -4.23 -0.25 -4.11 115.64 107.65 3kiy s THR 17 Ca 0.67 -0.90 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 3kiy s THR 17 Cb -0.85 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.70 3kiy s THR 17 CO 0.56 -0.50 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.28 3kiy s VAL 18 N -1.45 1.45 0.54 2.29 1.01 -0.87 -3.90 120.40 119.48 3kiy s VAL 18 Ca -0.16 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 3kiy s VAL 18 Cb -0.10 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3kiy s VAL 18 CO -0.01 -0.13 1.32 0.00 0.00 0.00 0.00 175.10 176.28 3kiy s ALA 19 N -1.20 2.81 -0.71 5.51 0.00 -1.26 0.83 121.76 127.73 3kiy s ALA 19 Ca 0.03 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 3kiy s ALA 19 Cb -0.10 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.57 3kiy s ALA 19 CO 0.03 -1.26 1.02 0.34 0.00 0.00 0.00 175.76 175.89 3kiy s ASP 20 N -1.08 6.24 -1.11 0.00 -1.08 -1.26 -4.61 116.67 113.78 3kiy s ASP 20 Ca 0.71 -1.12 -0.17 0.00 -0.52 0.00 0.00 52.55 51.45 3kiy s ASP 20 Cb -0.38 -2.43 -0.06 0.00 -1.46 0.00 0.00 42.92 38.59 3kiy s ASP 20 CO 0.44 -1.41 2.10 0.49 0.52 0.00 0.00 175.17 177.31 3kiy n PHE 21 N 7.68 2.62 -0.13 -5.34 3.01 -1.26 -4.30 117.46 119.73 3kiy n PHE 21 Ca 0.01 -2.38 -0.24 0.00 1.01 0.00 0.00 57.45 55.85 3kiy n PHE 21 Cb 0.46 -2.11 -0.11 0.00 -0.01 0.00 0.00 39.48 37.71 3kiy n PHE 21 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3kiy n SER 22 N 6.60 1.97 -0.11 4.37 3.41 -1.26 -4.56 113.62 124.03 3kiy n SER 22 Ca 0.51 0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 59.19 3kiy n SER 22 Cb 0.38 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.72 3kiy n SER 22 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kiy h GLU 23 N -0.53 0.28 -0.02 4.33 4.39 -1.98 -3.21 114.58 117.84 3kiy h GLU 23 Ca -0.64 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.05 3kiy h GLU 23 Cb 1.75 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 3kiy h GLU 23 CO -0.26 0.19 -0.19 -0.84 -1.16 0.00 0.00 179.01 176.74 3kiy h ILE 24 N 0.29 0.00 0.00 3.13 -2.65 -1.81 -3.44 117.51 113.03 3kiy h ILE 24 Ca 0.17 0.00 0.00 0.00 1.03 0.00 0.00 64.86 66.06 3kiy h ILE 24 Cb 0.15 0.00 0.00 0.00 -2.05 0.00 0.00 36.82 34.92 3kiy h ILE 24 CO -0.18 0.00 0.00 0.41 0.03 0.00 0.00 178.15 178.41 3kiy n THR 25 N -3.57 0.00 -3.28 0.16 -1.04 -1.22 -3.75 114.28 101.58 3kiy n THR 25 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 3kiy n THR 25 Cb 0.14 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.66 3kiy n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kiy n LYS 26 N 0.00 -1.68 0.00 -2.82 4.01 -1.26 -4.32 118.16 112.09 3kiy n LYS 26 Ca 0.00 1.42 0.00 0.00 -0.51 0.00 0.00 58.31 59.22 3kiy n LYS 26 Cb 0.00 -4.30 0.00 0.00 -0.51 0.00 0.00 35.03 30.22 3kiy n LYS 26 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3kiy n THR 27 N -1.49 0.00 0.00 -0.18 5.66 -1.26 -4.30 114.28 112.71 3kiy n THR 27 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 3kiy n THR 27 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 3kiy n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kiy n GLU 28 N 0.73 0.00 -2.25 1.09 4.71 -1.26 -4.57 120.64 119.09 3kiy n GLU 28 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 3kiy n GLU 28 Cb 0.00 -0.41 -0.02 0.00 -1.01 0.00 0.00 31.44 30.00 3kiy n GLU 28 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3kiy s PRO 29 N -1.98 4.23 1.00 3.49 0.04 -1.26 -4.64 135.00 135.88 3kiy s PRO 29 Ca 0.00 1.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 3kiy s PRO 29 Cb 0.00 -3.80 0.18 0.00 0.04 0.00 0.00 34.50 30.92 3kiy s PRO 29 CO 0.00 -0.72 0.36 0.39 0.04 0.00 0.00 177.00 177.07 3kiy n GLU 30 N 6.51 -2.32 -2.94 4.56 -0.58 -1.26 -4.86 120.64 119.75 3kiy n GLU 30 Ca 0.15 -0.69 -0.44 0.00 -0.42 0.00 0.00 57.16 55.76 3kiy n GLU 30 Cb 0.44 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.82 3kiy n GLU 30 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kiy s LYS 31 N -3.48 3.45 0.00 3.49 2.47 -1.26 -4.87 119.74 119.54 3kiy s LYS 31 Ca 0.35 -1.55 0.00 0.00 -1.56 0.00 0.00 55.97 53.21 3kiy s LYS 31 Cb -0.06 -4.70 0.00 0.00 -1.46 0.00 0.00 37.83 31.61 3kiy s LYS 31 CO 0.31 -1.75 0.53 0.45 0.16 0.00 0.00 175.35 175.06 3kiy n SER 32 N 6.70 0.00 -0.03 1.43 2.88 -1.26 -1.95 113.62 121.39 3kiy n SER 32 Ca 0.15 0.09 -0.02 0.00 -1.33 0.00 0.00 58.87 57.77 3kiy n SER 32 Cb 0.48 -0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 3kiy n SER 32 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3kiy n LEU 33 N -1.03 0.67 0.00 2.46 0.00 -1.26 -4.27 117.00 113.57 3kiy n LEU 33 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.40 3kiy n LEU 33 Cb 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 43.42 43.11 3kiy n LEU 33 CO 0.00 -0.49 0.20 1.33 0.00 0.00 0.00 177.39 178.43 3kiy n VAL 34 N -3.13 0.00 -0.38 1.96 0.24 -0.82 -4.33 118.33 111.87 3kiy n VAL 34 Ca -0.03 0.80 -0.02 0.00 -2.04 0.00 0.00 64.34 63.05 3kiy n VAL 34 Cb 0.10 -1.59 0.03 0.00 -1.47 0.00 0.00 33.84 30.91 3kiy n VAL 34 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3kiy h LYS 35 N 0.00 -0.01 -0.07 7.34 3.11 -1.74 -3.41 116.57 121.79 3kiy h LYS 35 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3kiy h LYS 35 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3kiy h LYS 35 CO 0.00 -0.01 0.00 -0.35 -2.81 0.00 0.00 179.45 176.28 3kiy n PRO 36 N -5.45 0.00 -4.01 1.90 -0.04 -1.25 -4.29 135.00 121.85 3kiy n PRO 36 Ca 0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 3kiy n PRO 36 Cb 0.39 -0.01 -0.15 0.00 -0.04 0.00 0.00 33.50 33.68 3kiy n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kiy s LEU 37 N 0.00 2.75 -0.16 1.53 1.43 -1.25 -5.07 118.68 117.92 3kiy s LEU 37 Ca 0.00 -1.13 -0.32 0.00 -1.03 0.00 0.00 54.13 51.65 3kiy s LEU 37 Cb 0.00 -1.34 -0.09 0.00 0.03 0.00 0.00 46.19 44.79 3kiy s LEU 37 CO 0.00 -0.18 2.07 1.17 0.23 0.00 0.00 176.35 179.64 3kiy n LYS 38 N 4.59 2.00 -3.13 1.70 4.81 -1.26 -2.09 118.16 124.78 3kiy n LYS 38 Ca -0.14 0.65 -0.39 0.00 -0.87 0.00 0.00 58.31 57.56 3kiy n LYS 38 Cb 0.44 -2.85 -0.06 0.00 0.02 0.00 0.00 35.03 32.58 3kiy n LYS 38 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kiy s LYS 39 N 5.29 4.38 -0.21 1.64 2.20 -1.26 -4.85 119.74 126.92 3kiy s LYS 39 Ca 0.98 0.89 -0.21 0.00 -0.36 0.00 0.00 55.97 57.27 3kiy s LYS 39 Cb -0.57 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.42 3kiy s LYS 39 CO 0.45 0.45 0.65 0.99 -0.36 0.00 0.00 175.35 177.52 3kiy s THR 40 N -0.55 5.00 0.06 3.43 2.01 -1.26 -4.92 115.64 119.41 3kiy s THR 40 Ca 0.33 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.54 3kiy s THR 40 Cb -0.20 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3kiy s THR 40 CO 0.21 0.08 0.20 -0.83 -0.69 0.00 0.00 174.62 173.58 3kiy s GLY 41 N 1.28 2.18 0.00 4.40 0.00 -1.26 -5.06 107.32 108.86 3kiy s GLY 41 Ca 0.29 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3kiy s GLY 41 CO 0.10 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.98 3kiy n GLY 42 N 0.31 2.80 0.42 0.20 0.00 -1.26 -5.06 105.19 102.60 3kiy n GLY 42 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kiy n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kiy n ARG 43 N 0.00 0.97 -3.74 1.61 -4.01 -1.26 -4.93 116.66 105.30 3kiy n ARG 43 Ca 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.79 3kiy n ARG 43 Cb 0.00 -1.41 -0.01 0.00 -3.04 0.00 0.00 32.46 28.01 3kiy n ARG 43 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3kiy s ASN 44 N -0.19 -0.13 0.00 2.89 4.22 -1.26 -3.84 114.94 116.62 3kiy s ASN 44 Ca 0.00 -0.38 0.00 0.00 -2.14 0.00 0.00 52.86 50.34 3kiy s ASN 44 Cb 0.00 0.42 0.00 0.00 1.28 0.00 0.00 41.25 42.95 3kiy s ASN 44 CO 0.00 -0.79 0.00 -0.46 -2.04 0.00 0.00 177.10 173.81 3kiy n ASN 45 N -0.55 0.00 -4.56 3.54 0.23 -1.22 -4.86 115.26 107.85 3kiy n ASN 45 Ca -0.06 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.68 3kiy n ASN 45 Cb 0.61 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.27 3kiy n ASN 45 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3kiy s GLN 46 N 0.00 2.76 0.00 -3.83 1.11 -1.26 -4.54 119.66 113.90 3kiy s GLN 46 Ca 0.00 -0.35 0.00 0.00 0.01 0.00 0.00 55.36 55.02 3kiy s GLN 46 Cb 0.00 -5.03 0.00 0.00 -1.01 0.00 0.00 33.01 26.97 3kiy s GLN 46 CO 0.00 -3.08 0.00 0.41 0.01 0.00 0.00 175.29 172.63 3kiy n GLY 47 N 6.71 1.03 3.60 3.09 0.00 -1.26 -5.04 105.19 113.32 3kiy n GLY 47 Ca 0.36 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3kiy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 48 N 0.00 0.72 -2.59 1.61 5.12 -1.26 -4.93 116.66 115.33 3kiy n ARG 48 Ca 0.00 0.29 -0.41 0.00 -1.93 0.00 0.00 57.85 55.80 3kiy n ARG 48 Cb 0.00 -2.16 -0.04 0.00 -1.16 0.00 0.00 32.46 29.11 3kiy n ARG 48 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3kiy s ILE 49 N -1.63 4.23 -0.37 0.55 2.07 -1.26 -3.39 121.20 121.40 3kiy s ILE 49 Ca 0.75 1.79 0.07 0.00 -1.41 0.00 0.00 60.65 61.84 3kiy s ILE 49 Cb -0.39 -4.14 -0.06 0.00 0.13 0.00 0.00 42.46 38.00 3kiy s ILE 49 CO 0.48 0.24 0.32 0.35 -1.91 0.00 0.00 174.94 174.43 3kiy n THR 50 N 2.99 0.00 -3.61 4.00 -2.24 -1.25 -4.85 114.28 109.32 3kiy n THR 50 Ca 0.04 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 3kiy n THR 50 Cb 0.48 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.57 3kiy n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kiy s VAL 51 N -1.52 0.28 0.77 2.28 1.01 -1.25 -5.09 120.40 116.87 3kiy s VAL 51 Ca 0.03 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3kiy s VAL 51 Cb 0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3kiy s VAL 51 CO 0.25 -0.71 0.37 0.54 0.00 0.00 0.00 175.10 175.55 3kiy n ARG 52 N 5.09 0.16 -3.74 2.72 1.74 -1.26 -3.94 116.66 117.43 3kiy n ARG 52 Ca -0.04 0.09 -0.26 0.00 -0.77 0.00 0.00 57.85 56.87 3kiy n ARG 52 Cb 0.42 -1.72 0.05 0.00 -1.02 0.00 0.00 32.46 30.19 3kiy n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kiy n PHE 53 N -2.54 -2.39 -4.45 -1.55 3.72 -1.26 -4.97 117.46 104.01 3kiy n PHE 53 Ca 0.08 0.93 -0.24 0.00 -0.05 0.00 0.00 57.45 58.17 3kiy n PHE 53 Cb 0.51 -4.47 -0.10 0.00 -0.94 0.00 0.00 39.48 34.48 3kiy n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kiy s ARG 54 N -6.29 1.70 0.00 -1.08 1.81 -1.25 -1.14 118.95 112.69 3kiy s ARG 54 Ca 0.45 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 3kiy s ARG 54 Cb -0.22 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.47 3kiy s ARG 54 CO 0.79 0.35 0.00 0.41 -0.68 0.00 0.00 175.30 176.17 3kiy n GLY 55 N -0.47 3.00 4.16 -3.53 0.00 -0.87 -4.74 105.19 102.74 3kiy n GLY 55 Ca -0.06 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 43.93 3kiy n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 56 N -1.01 -2.03 0.10 -0.02 0.00 -1.26 -4.21 105.19 96.77 3kiy n GLY 56 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kiy n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 57 N -0.67 -1.07 0.97 -0.02 0.00 -1.20 -4.06 105.19 99.14 3kiy n GLY 57 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 3kiy n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kiy n HIS 58 N 1.26 -0.37 -1.10 1.61 -0.00 -1.09 -4.74 115.22 110.79 3kiy n HIS 58 Ca 0.00 0.23 -0.34 0.00 -0.00 0.00 0.00 57.72 57.61 3kiy n HIS 58 Cb 0.00 -0.54 0.10 0.00 -0.00 0.00 0.00 29.99 29.55 3kiy n HIS 58 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3kiy n LYS 59 N 0.34 0.13 -3.66 1.57 3.00 -1.26 -4.97 118.16 113.31 3kiy n LYS 59 Ca 0.04 0.10 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 3kiy n LYS 59 Cb 0.09 -2.06 -0.09 0.00 0.00 0.00 0.00 35.03 32.98 3kiy n LYS 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3kiy s ARG 60 N -3.44 0.54 -0.18 1.64 3.52 -1.26 -5.12 118.95 114.64 3kiy s ARG 60 Ca 0.66 1.05 -0.10 0.00 -0.13 0.00 0.00 55.73 57.21 3kiy s ARG 60 Cb -0.30 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.19 3kiy s ARG 60 CO 0.57 -0.17 0.16 -1.17 -0.81 0.00 0.00 175.30 173.89 3kiy s LEU 61 N 1.73 4.24 -0.20 -0.88 2.96 -1.26 -4.15 118.68 121.13 3kiy s LEU 61 Ca -0.09 0.32 -0.26 0.00 -0.22 0.00 0.00 54.13 53.88 3kiy s LEU 61 Cb -0.08 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 3kiy s LEU 61 CO -0.16 0.20 0.87 -0.47 -1.32 0.00 0.00 176.35 175.46 3kiy s TYR 62 N 0.18 3.38 -0.34 5.38 6.14 -0.89 -4.83 117.35 126.37 3kiy s TYR 62 Ca 0.11 1.27 -0.21 0.00 0.64 0.00 0.00 57.07 58.88 3kiy s TYR 62 Cb -0.12 -3.07 -0.00 0.00 0.42 0.00 0.00 41.96 39.19 3kiy s TYR 62 CO -0.00 -0.32 0.66 1.03 0.64 0.00 0.00 175.55 177.56 3kiy s ARG 63 N 2.50 3.76 -0.28 4.97 3.00 -1.26 -3.74 118.95 127.91 3kiy s ARG 63 Ca 0.39 0.18 -0.29 0.00 0.00 0.00 0.00 55.73 56.00 3kiy s ARG 63 Cb -0.16 -3.78 -0.01 0.00 0.00 0.00 0.00 34.95 31.00 3kiy s ARG 63 CO 0.10 -0.70 1.37 -1.50 0.00 0.00 0.00 175.30 174.57 3kiy s ILE 64 N 2.73 4.05 0.35 1.52 2.07 -1.26 -4.93 121.20 125.73 3kiy s ILE 64 Ca 0.26 1.18 0.08 0.00 -1.41 0.00 0.00 60.65 60.76 3kiy s ILE 64 Cb -0.14 -4.05 -0.05 0.00 0.13 0.00 0.00 42.46 38.35 3kiy s ILE 64 CO 0.14 -0.42 0.12 0.27 -1.91 0.00 0.00 174.94 173.14 3kiy s ILE 65 N 4.52 2.85 -0.70 2.00 -0.00 -1.26 -4.45 121.20 124.16 3kiy s ILE 65 Ca 0.59 -1.74 -0.20 0.00 -0.00 0.00 0.00 60.65 59.30 3kiy s ILE 65 Cb -0.19 -2.94 0.10 0.00 -0.00 0.00 0.00 42.46 39.43 3kiy s ILE 65 CO 0.24 -0.16 0.90 -0.62 -0.00 0.00 0.00 174.94 175.30 3kiy s ASP 66 N -3.83 6.30 -0.04 4.36 2.15 -0.69 -4.91 116.67 120.01 3kiy s ASP 66 Ca 0.38 -1.46 0.13 0.00 0.43 0.00 0.00 52.55 52.03 3kiy s ASP 66 Cb -0.01 -2.36 0.45 0.00 -0.30 0.00 0.00 42.92 40.69 3kiy s ASP 66 CO 0.22 -1.21 1.33 0.49 -0.17 0.00 0.00 175.17 175.84 3kiy n PHE 67 N 6.80 0.84 -3.49 -5.34 0.99 -1.26 -4.65 117.46 111.35 3kiy n PHE 67 Ca 0.01 -0.36 -0.19 0.00 -0.00 0.00 0.00 57.45 56.91 3kiy n PHE 67 Cb 0.45 -0.11 -0.13 0.00 -1.00 0.00 0.00 39.48 38.70 3kiy n PHE 67 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3kiy s LYS 68 N -1.58 0.20 0.08 -1.08 -2.85 -1.26 0.10 119.74 113.35 3kiy s LYS 68 Ca 0.33 0.10 0.24 0.00 -1.00 0.00 0.00 55.97 55.64 3kiy s LYS 68 Cb 0.19 -1.16 0.36 0.00 -2.06 0.00 0.00 37.83 35.16 3kiy s LYS 68 CO 0.18 -0.73 1.31 0.54 0.10 0.00 0.00 175.35 176.76 3kiy n ARG 69 N 5.31 0.21 0.00 1.78 1.74 -1.26 -4.00 116.66 120.44 3kiy n ARG 69 Ca -0.05 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kiy n ARG 69 Cb 0.49 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3kiy n ARG 69 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3kiy n TRP 70 N -1.93 0.00 -0.01 -1.55 2.14 -1.26 -2.58 117.44 112.25 3kiy n TRP 70 Ca 0.04 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.52 3kiy n TRP 70 Cb 0.41 -0.33 -0.05 0.00 -0.81 0.00 0.00 31.31 30.53 3kiy n TRP 70 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 3kiy h ASP 71 N 0.00 -0.96 -3.38 -0.67 3.32 -1.99 -3.23 116.42 109.51 3kiy h ASP 71 Ca 0.00 0.12 -0.78 0.00 0.02 0.00 0.00 57.03 56.39 3kiy h ASP 71 Cb 0.30 0.38 -0.30 0.00 0.22 0.00 0.00 39.33 39.93 3kiy h ASP 71 CO 0.00 -0.26 0.39 0.29 -1.72 0.00 0.00 179.24 177.94 3kiy n LYS 72 N -4.15 3.51 -2.36 3.56 5.02 -1.06 -5.04 118.16 117.64 3kiy n LYS 72 Ca -0.03 -4.48 -0.39 0.00 -2.02 0.00 0.00 58.31 51.39 3kiy n LYS 72 Cb 0.21 -2.51 -0.03 0.00 -0.02 0.00 0.00 35.03 32.68 3kiy n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kiy s VAL 73 N -1.58 3.28 0.00 -0.18 1.01 -1.22 -3.11 120.40 118.59 3kiy s VAL 73 Ca 0.31 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.41 3kiy s VAL 73 Cb -0.06 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3kiy s VAL 73 CO -0.06 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3kiy n GLY 74 N 0.74 0.86 3.68 4.51 0.00 -0.43 -4.91 105.19 109.65 3kiy n GLY 74 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kiy n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kiy s ILE 75 N -0.26 4.50 0.86 -0.61 1.01 -1.18 -4.94 121.20 120.58 3kiy s ILE 75 Ca 0.00 1.80 -0.08 0.00 0.00 0.00 0.00 60.65 62.37 3kiy s ILE 75 Cb 0.00 -4.16 0.19 0.00 0.01 0.00 0.00 42.46 38.50 3kiy s ILE 75 CO 0.00 -0.03 1.17 -0.81 0.00 0.00 0.00 174.94 175.27 3kiy n PRO 76 N 5.35 -0.69 -3.64 2.79 -0.04 -1.26 -4.44 135.00 133.07 3kiy n PRO 76 Ca 0.10 -2.44 -0.05 0.00 -0.04 0.00 0.00 63.50 61.07 3kiy n PRO 76 Cb 0.47 -1.01 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 3kiy n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy s ALA 77 N -3.56 -2.17 -0.02 0.55 0.00 0.62 -2.24 121.76 114.94 3kiy s ALA 77 Ca 0.72 2.02 -0.25 0.00 0.00 0.00 0.00 51.96 54.45 3kiy s ALA 77 Cb -0.03 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3kiy s ALA 77 CO 0.49 -0.28 0.76 0.21 0.00 0.00 0.00 175.76 176.94 3kiy s LYS 78 N 0.78 4.47 -0.61 0.00 2.20 -0.95 -0.03 119.74 125.60 3kiy s LYS 78 Ca -0.03 1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 56.33 3kiy s LYS 78 Cb -0.04 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3kiy s LYS 78 CO -0.11 0.12 1.78 0.08 -0.36 0.00 0.00 175.35 176.86 3kiy s VAL 79 N 0.56 3.41 0.17 4.02 1.01 -0.82 -1.15 120.40 127.60 3kiy s VAL 79 Ca 0.40 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 3kiy s VAL 79 Cb -0.19 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3kiy s VAL 79 CO 0.21 -1.00 1.48 0.00 0.00 0.00 0.00 175.10 175.79 3kiy h ALA 80 N 14.26 0.63 -2.21 5.51 0.00 -1.66 0.95 119.26 136.74 3kiy h ALA 80 Ca -0.26 -0.50 0.21 0.00 0.00 0.00 0.00 54.91 54.35 3kiy h ALA 80 Cb 1.15 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3kiy h ALA 80 CO 1.22 0.68 0.58 0.00 0.00 0.00 0.00 179.25 181.73 3kiy s ALA 81 N -4.09 -1.77 -0.08 0.00 0.00 -0.10 -4.74 121.76 110.98 3kiy s ALA 81 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3kiy s ALA 81 Cb 0.11 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3kiy s ALA 81 CO 0.86 -1.05 -0.08 0.42 0.00 0.00 0.00 175.76 175.91 3kiy s ILE 82 N -2.82 0.89 0.41 0.00 1.01 -1.25 0.10 121.20 119.54 3kiy s ILE 82 Ca 0.15 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.57 3kiy s ILE 82 Cb -0.00 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 3kiy s ILE 82 CO 0.02 0.32 0.05 -1.83 0.00 0.00 0.00 174.94 173.50 3kiy s GLU 83 N 1.20 1.92 0.08 2.79 -1.05 0.16 -3.99 118.70 119.80 3kiy s GLU 83 Ca -0.05 -2.14 -0.26 0.00 -0.15 0.00 0.00 54.97 52.37 3kiy s GLU 83 Cb -0.14 -1.14 -0.06 0.00 -0.44 0.00 0.00 34.13 32.35 3kiy s GLU 83 CO -0.02 -0.26 0.82 -0.47 0.95 0.00 0.00 175.26 176.28 3kiy s TYR 84 N -3.04 3.78 -0.29 4.83 5.04 -1.26 -2.21 117.35 124.20 3kiy s TYR 84 Ca 0.26 1.59 -0.01 0.00 -2.44 0.00 0.00 57.07 56.47 3kiy s TYR 84 Cb 0.06 -2.88 0.09 0.00 0.35 0.00 0.00 41.96 39.58 3kiy s TYR 84 CO 0.13 0.29 0.07 0.34 -1.34 0.00 0.00 175.55 175.04 3kiy s ASP 85 N -0.21 3.92 0.00 4.32 -1.08 -1.26 -4.93 116.67 117.43 3kiy s ASP 85 Ca 0.40 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.91 3kiy s ASP 85 Cb -0.22 -0.92 0.00 0.00 -1.46 0.00 0.00 42.92 40.32 3kiy s ASP 85 CO 0.25 -0.38 0.56 -0.81 0.52 0.00 0.00 175.17 175.31 3kiy n PRO 86 N 4.81 0.00 -0.15 4.34 -0.04 -1.26 -2.21 135.00 140.49 3kiy n PRO 86 Ca -0.03 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 3kiy n PRO 86 Cb 0.43 -1.53 0.17 0.00 -0.04 0.00 0.00 33.50 32.53 3kiy n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kiy n ASN 87 N -1.06 3.12 -3.68 3.54 3.02 -1.26 -5.01 115.26 113.93 3kiy n ASN 87 Ca 0.00 -1.91 -0.10 0.00 -0.03 0.00 0.00 54.58 52.54 3kiy n ASN 87 Cb 0.03 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 3kiy n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kiy s ARG 88 N -1.35 1.39 0.26 3.52 1.70 -0.94 -5.02 118.95 118.52 3kiy s ARG 88 Ca 0.32 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.80 3kiy s ARG 88 Cb 0.19 0.54 0.35 0.00 -0.57 0.00 0.00 34.95 35.46 3kiy s ARG 88 CO 0.26 -0.60 1.69 0.66 -1.08 0.00 0.00 175.30 176.23 3kiy h SER 89 N 2.14 0.54 -3.77 -2.89 4.64 -1.87 -3.45 113.55 108.89 3kiy h SER 89 Ca -0.29 -0.19 -0.43 0.00 -0.47 0.00 0.00 61.79 60.41 3kiy h SER 89 Cb 1.27 -0.15 0.17 0.00 -0.31 0.00 0.00 62.40 63.38 3kiy h SER 89 CO 0.36 0.80 0.24 0.00 -0.87 0.00 0.00 176.83 177.36 3kiy s ALA 90 N -4.47 1.21 0.42 5.18 0.00 -1.26 -4.49 121.76 118.34 3kiy s ALA 90 Ca -0.07 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.05 3kiy s ALA 90 Cb 0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3kiy s ALA 90 CO 0.80 -3.06 0.23 1.03 0.00 0.00 0.00 175.76 174.77 3kiy s ARG 91 N -5.48 2.30 0.02 0.00 1.81 -1.26 -4.56 118.95 111.77 3kiy s ARG 91 Ca 0.70 -1.80 0.01 0.00 -1.72 0.00 0.00 55.73 52.93 3kiy s ARG 91 Cb -0.10 -2.07 -0.02 0.00 -0.45 0.00 0.00 34.95 32.32 3kiy s ARG 91 CO 0.55 -0.17 -0.05 0.96 -0.68 0.00 0.00 175.30 175.91 3kiy s ILE 92 N -2.59 0.37 -0.20 1.52 -4.36 -0.94 -1.47 121.20 113.53 3kiy s ILE 92 Ca 0.42 -0.73 -0.06 0.00 -0.26 0.00 0.00 60.65 60.02 3kiy s ILE 92 Cb 0.02 -0.42 -0.03 0.00 1.25 0.00 0.00 42.46 43.28 3kiy s ILE 92 CO 0.23 -0.24 0.03 0.00 0.24 0.00 0.00 174.94 175.20 3kiy s ALA 93 N -0.94 3.17 -0.23 2.27 0.00 0.19 0.38 121.76 126.60 3kiy s ALA 93 Ca -0.07 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 3kiy s ALA 93 Cb -0.07 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 3kiy s ALA 93 CO -0.00 -0.11 0.75 -1.17 0.00 0.00 0.00 175.76 175.23 3kiy s LEU 94 N 0.93 4.10 0.02 0.00 1.98 0.29 -1.91 118.68 124.08 3kiy s LEU 94 Ca 0.02 0.94 0.08 0.00 -2.89 0.00 0.00 54.13 52.29 3kiy s LEU 94 Cb -0.14 -3.07 -0.02 0.00 0.66 0.00 0.00 46.19 43.62 3kiy s LEU 94 CO 0.02 -0.43 -0.23 -1.48 -1.89 0.00 0.00 176.35 172.35 3kiy s LEU 95 N 2.52 2.12 -0.48 -0.68 0.05 -0.97 -0.93 118.68 120.31 3kiy s LEU 95 Ca 0.32 -0.50 -0.16 0.00 0.05 0.00 0.00 54.13 53.84 3kiy s LEU 95 Cb -0.16 -1.13 0.08 0.00 -2.05 0.00 0.00 46.19 42.93 3kiy s LEU 95 CO 0.09 0.23 0.44 -1.00 -0.55 0.00 0.00 176.35 175.56 3kiy s HIS 96 N -0.70 3.21 0.80 3.48 3.76 -0.30 -2.70 115.29 122.83 3kiy s HIS 96 Ca 0.09 -0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 53.99 3kiy s HIS 96 Cb -0.09 -3.29 0.07 0.00 1.11 0.00 0.00 32.58 30.39 3kiy s HIS 96 CO 0.01 -0.86 1.12 0.71 -0.85 0.00 0.00 174.74 174.87 3kiy s TYR 97 N 1.80 2.25 0.11 1.40 1.51 0.34 -2.23 117.35 122.53 3kiy s TYR 97 Ca 0.06 1.63 0.25 0.00 -1.01 0.00 0.00 57.07 58.00 3kiy s TYR 97 Cb -0.24 -3.19 0.96 0.00 -0.11 0.00 0.00 41.96 39.38 3kiy s TYR 97 CO 0.07 -2.16 1.84 0.28 -1.11 0.00 0.00 175.55 174.47 3kiy h VAL 98 N -1.13 0.45 0.00 0.71 2.07 -1.68 -2.13 116.25 114.54 3kiy h VAL 98 Ca -0.44 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3kiy h VAL 98 Cb 1.25 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3kiy h VAL 98 CO 0.49 0.18 0.10 -0.67 0.02 0.00 0.00 177.57 177.69 3kiy n ASP 99 N -3.33 0.45 0.00 0.57 4.64 -1.26 -4.72 116.55 112.90 3kiy n ASP 99 Ca 0.00 0.67 0.00 0.00 -1.38 0.00 0.00 54.79 54.08 3kiy n ASP 99 Cb 0.42 -0.70 0.00 0.00 -1.04 0.00 0.00 41.12 39.80 3kiy n ASP 99 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kiy n GLY 100 N -1.30 3.02 3.75 0.27 0.00 -0.80 -5.02 105.19 105.11 3kiy n GLY 100 Ca -0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 3kiy n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kiy s GLU 101 N 0.00 3.20 0.03 1.61 2.12 -1.26 -4.64 118.70 119.76 3kiy s GLU 101 Ca 0.00 2.08 -0.00 0.00 0.36 0.00 0.00 54.97 57.41 3kiy s GLU 101 Cb 0.00 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 3kiy s GLU 101 CO 0.00 -1.09 -0.03 -1.59 -0.54 0.00 0.00 175.26 172.01 3kiy s LYS 102 N -2.95 0.37 0.34 4.30 -2.85 -1.26 -0.50 119.74 117.19 3kiy s LYS 102 Ca 0.71 -0.72 -0.10 0.00 -1.00 0.00 0.00 55.97 54.86 3kiy s LYS 102 Cb -0.37 0.13 0.02 0.00 -2.06 0.00 0.00 37.83 35.56 3kiy s LYS 102 CO 0.43 -0.06 0.62 -0.98 0.10 0.00 0.00 175.35 175.46 3kiy s ARG 103 N -1.90 1.99 0.07 1.78 1.70 -1.10 -4.89 118.95 116.60 3kiy s ARG 103 Ca -0.12 -1.51 0.01 0.00 -0.47 0.00 0.00 55.73 53.64 3kiy s ARG 103 Cb -0.07 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3kiy s ARG 103 CO -0.03 -0.88 0.20 0.71 -1.08 0.00 0.00 175.30 174.22 3kiy s TYR 104 N -2.93 3.46 -0.02 5.89 4.12 -1.26 -2.29 117.35 124.31 3kiy s TYR 104 Ca 0.22 0.21 -0.02 0.00 0.02 0.00 0.00 57.07 57.50 3kiy s TYR 104 Cb -0.03 -1.73 0.01 0.00 -1.52 0.00 0.00 41.96 38.70 3kiy s TYR 104 CO 0.14 0.57 0.06 -1.50 0.02 0.00 0.00 175.55 174.84 3kiy s ILE 105 N -1.52 -0.01 -0.40 2.71 1.10 -0.80 -1.71 121.20 120.56 3kiy s ILE 105 Ca 0.34 0.04 -0.31 0.00 -0.51 0.00 0.00 60.65 60.21 3kiy s ILE 105 Cb -0.13 -0.09 -0.10 0.00 0.15 0.00 0.00 42.46 42.29 3kiy s ILE 105 CO 0.27 0.02 2.30 0.00 -2.11 0.00 0.00 174.94 175.41 3kiy n ILE 106 N 3.27 0.15 -1.66 2.00 3.06 -1.26 -0.64 119.36 124.28 3kiy n ILE 106 Ca -0.15 -0.41 -0.43 0.00 -2.50 0.00 0.00 62.75 59.26 3kiy n ILE 106 Cb 0.58 -2.03 -0.03 0.00 0.54 0.00 0.00 39.64 38.70 3kiy n ILE 106 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kiy s ALA 107 N 8.81 2.83 0.61 1.51 0.00 -0.54 -4.79 121.76 130.19 3kiy s ALA 107 Ca 1.07 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.68 3kiy s ALA 107 Cb -0.61 -4.04 -0.03 0.00 0.00 0.00 0.00 23.12 18.43 3kiy s ALA 107 CO 0.41 -2.65 1.04 -1.25 0.00 0.00 0.00 175.76 173.30 3kiy s PRO 108 N 6.08 3.40 0.23 0.00 0.04 -1.26 -4.50 135.00 139.00 3kiy s PRO 108 Ca 0.97 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3kiy s PRO 108 Cb -0.33 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 3kiy s PRO 108 CO 0.35 -0.73 1.51 0.34 0.04 0.00 0.00 177.00 178.52 3kiy s ASP 109 N -3.35 6.57 0.00 6.66 3.68 0.14 -2.56 116.67 127.81 3kiy s ASP 109 Ca 0.60 2.71 0.00 0.00 2.13 0.00 0.00 52.55 57.99 3kiy s ASP 109 Cb -0.13 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 38.72 3kiy s ASP 109 CO 0.43 -0.78 0.00 0.61 0.13 0.00 0.00 175.17 175.56 3kiy n GLY 110 N 2.66 2.52 3.61 2.66 0.00 -1.26 -4.58 105.19 110.80 3kiy n GLY 110 Ca 0.09 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 3kiy n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kiy n LEU 111 N 0.00 2.17 -4.30 0.99 -0.00 -1.06 -5.00 117.00 109.81 3kiy n LEU 111 Ca 0.00 1.16 -0.27 0.00 -0.00 0.00 0.00 56.01 56.91 3kiy n LEU 111 Cb 0.00 -1.32 -0.14 0.00 -0.00 0.00 0.00 43.42 41.97 3kiy n LEU 111 CO 0.00 -1.08 -0.54 -1.10 -0.00 0.00 0.00 177.39 174.67 3kiy s GLN 112 N -0.98 1.42 0.44 1.96 -1.52 -1.26 -5.03 119.66 114.69 3kiy s GLN 112 Ca 0.65 -1.08 -0.24 0.00 -1.95 0.00 0.00 55.36 52.74 3kiy s GLN 112 Cb -0.72 -1.63 -0.08 0.00 -0.22 0.00 0.00 33.01 30.36 3kiy s GLN 112 CO 0.56 0.41 1.27 0.08 -0.25 0.00 0.00 175.29 177.35 3kiy s VAL 113 N -0.91 2.67 0.00 1.09 1.01 -1.26 -2.59 120.40 120.40 3kiy s VAL 113 Ca 0.09 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3kiy s VAL 113 Cb -0.09 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3kiy s VAL 113 CO 0.03 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3kiy n GLY 114 N 0.62 2.51 3.27 4.51 0.00 0.33 -4.96 105.19 111.47 3kiy n GLY 114 Ca 0.06 -0.53 -0.60 0.00 0.00 0.00 0.00 46.02 44.95 3kiy n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kiy n GLN 115 N 0.00 0.00 -2.92 1.61 7.27 -1.07 -3.80 117.38 118.47 3kiy n GLN 115 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 3kiy n GLN 115 Cb 0.00 -1.37 -0.06 0.00 2.41 0.00 0.00 30.24 31.21 3kiy n GLN 115 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3kiy s GLN 116 N 3.70 4.11 0.25 3.69 -0.44 -1.26 -1.95 119.66 127.75 3kiy s GLN 116 Ca 1.01 0.91 -0.09 0.00 -2.50 0.00 0.00 55.36 54.69 3kiy s GLN 116 Cb -1.37 -2.28 -0.01 0.00 -1.64 0.00 0.00 33.01 27.71 3kiy s GLN 116 CO 0.70 0.03 0.41 0.54 0.50 0.00 0.00 175.29 177.47 3kiy s VAL 117 N -2.14 0.00 0.15 1.34 0.11 0.96 -4.92 120.40 115.90 3kiy s VAL 117 Ca 0.58 -1.55 -0.25 0.00 -2.93 0.00 0.00 61.98 57.84 3kiy s VAL 117 Cb -0.10 -2.32 0.07 0.00 -1.53 0.00 0.00 36.38 32.51 3kiy s VAL 117 CO 0.16 0.00 1.00 0.54 -3.33 0.00 0.00 175.10 173.47 3kiy s VAL 118 N -3.93 0.00 0.03 2.04 0.11 -1.26 -0.28 120.40 117.11 3kiy s VAL 118 Ca 0.27 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.72 3kiy s VAL 118 Cb 0.01 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.70 3kiy s VAL 118 CO 0.11 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 171.78 3kiy s ALA 119 N -3.04 0.81 0.00 1.54 0.00 -1.26 -2.75 121.76 117.06 3kiy s ALA 119 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3kiy s ALA 119 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3kiy s ALA 119 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3kiy n GLY 120 N 2.03 2.33 0.38 0.00 0.00 0.74 -1.32 105.19 109.35 3kiy n GLY 120 Ca -0.18 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.08 3kiy n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kiy h PRO 121 N 0.00 0.43 0.00 1.61 0.11 -1.96 -3.29 132.00 128.90 3kiy h PRO 121 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3kiy h PRO 121 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3kiy h PRO 121 CO 0.00 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 177.67 3kiy n ASP 122 N -4.49 0.00 -1.52 -2.05 5.68 -1.26 -4.88 116.55 108.02 3kiy n ASP 122 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 3kiy n ASP 122 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3kiy n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kiy n ALA 123 N -3.00 -1.04 -1.75 2.12 0.00 -1.24 -4.74 120.51 110.86 3kiy n ALA 123 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3kiy n ALA 123 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3kiy n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kiy s PRO 124 N -0.77 4.15 -0.29 0.00 0.04 -1.26 -4.82 135.00 132.05 3kiy s PRO 124 Ca 0.00 2.51 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 3kiy s PRO 124 Cb 0.00 -4.08 -0.30 0.00 0.04 0.00 0.00 34.50 30.16 3kiy s PRO 124 CO 0.00 -0.92 1.62 -0.89 0.04 0.00 0.00 177.00 176.85 3kiy n ILE 125 N 5.47 0.00 -3.70 0.56 2.08 -1.26 -4.79 119.36 117.72 3kiy n ILE 125 Ca 0.19 -0.06 -0.11 0.00 0.56 0.00 0.00 62.75 63.34 3kiy n ILE 125 Cb 0.41 -1.77 -0.11 0.00 -0.75 0.00 0.00 39.64 37.42 3kiy n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kiy s GLN 126 N 7.03 0.42 0.00 0.38 -2.07 -1.26 -5.10 119.66 119.05 3kiy s GLN 126 Ca 0.65 0.78 0.00 0.00 -1.82 0.00 0.00 55.36 54.97 3kiy s GLN 126 Cb 0.08 0.01 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 3kiy s GLN 126 CO 0.27 -0.15 0.00 0.28 -1.32 0.00 0.00 175.29 174.37 3kiy n VAL 127 N 4.10 0.00 -0.02 3.63 0.31 -1.26 -2.83 118.33 122.26 3kiy n VAL 127 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3kiy n VAL 127 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3kiy n VAL 127 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kiy n GLY 128 N 0.00 0.36 3.74 2.92 0.00 -0.72 -4.97 105.19 106.53 3kiy n GLY 128 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kiy n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kiy s ASN 129 N -2.38 5.57 -0.15 1.61 0.01 -1.13 -4.32 114.94 114.16 3kiy s ASN 129 Ca 0.00 0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 52.34 3kiy s ASN 129 Cb 0.00 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.98 3kiy s ASN 129 CO 0.00 0.39 0.01 0.00 -1.51 0.00 0.00 177.10 175.98 3kiy s ALA 130 N -0.92 3.22 -0.01 0.60 0.00 -1.11 -1.09 121.76 122.45 3kiy s ALA 130 Ca 0.14 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 3kiy s ALA 130 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3kiy s ALA 130 CO 0.03 0.29 0.11 -0.51 0.00 0.00 0.00 175.76 175.68 3kiy s LEU 131 N 0.06 1.64 0.08 0.00 1.02 -0.82 -0.19 118.68 120.48 3kiy s LEU 131 Ca 0.02 -0.14 -0.34 0.00 0.02 0.00 0.00 54.13 53.69 3kiy s LEU 131 Cb -0.13 0.54 -0.14 0.00 0.02 0.00 0.00 46.19 46.49 3kiy s LEU 131 CO 0.02 -0.29 1.64 -2.65 0.02 0.00 0.00 176.35 175.09 3kiy n PRO 132 N 1.83 2.06 -0.20 1.29 -0.02 -1.26 -3.12 135.00 135.57 3kiy n PRO 132 Ca -0.21 0.75 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 3kiy n PRO 132 Cb 0.56 -2.52 0.18 0.00 -0.02 0.00 0.00 33.50 31.70 3kiy n PRO 132 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kiy n LEU 133 N 4.22 -0.05 -0.28 2.45 4.77 0.11 -0.07 117.00 128.14 3kiy n LEU 133 Ca 0.19 0.96 0.04 0.00 -0.03 0.00 0.00 56.01 57.17 3kiy n LEU 133 Cb 0.28 -0.36 0.18 0.00 -2.33 0.00 0.00 43.42 41.19 3kiy n LEU 133 CO 0.66 -0.98 1.11 0.08 -1.33 0.00 0.00 177.39 176.93 3kiy h ARG 134 N 0.00 0.66 -1.20 3.23 0.11 -1.76 -2.05 114.38 113.37 3kiy h ARG 134 Ca 0.35 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3kiy h ARG 134 Cb 0.74 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.67 3kiy h ARG 134 CO -0.53 0.44 0.00 1.19 0.10 0.00 0.00 179.97 181.17 3kiy n PHE 135 N -4.82 0.00 -4.89 4.08 0.99 0.90 -4.77 117.46 108.95 3kiy n PHE 135 Ca 0.14 -0.56 -0.28 0.00 -0.00 0.00 0.00 57.45 56.75 3kiy n PHE 135 Cb 0.33 -0.28 -0.17 0.00 -1.00 0.00 0.00 39.48 38.36 3kiy n PHE 135 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3kiy s ILE 136 N 0.05 1.58 -0.46 4.37 1.01 -0.77 -4.93 121.20 122.04 3kiy s ILE 136 Ca 0.00 -0.74 -0.38 0.00 0.00 0.00 0.00 60.65 59.53 3kiy s ILE 136 Cb 0.00 -1.39 -0.15 0.00 0.01 0.00 0.00 42.46 40.93 3kiy s ILE 136 CO 0.00 0.45 2.22 -2.65 0.00 0.00 0.00 174.94 174.96 3kiy n PRO 137 N 3.66 0.58 -1.52 2.79 -0.02 -1.26 -4.76 135.00 134.47 3kiy n PRO 137 Ca -0.21 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.11 3kiy n PRO 137 Cb 0.52 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 3kiy n PRO 137 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kiy n VAL 138 N 6.99 -0.03 0.00 -1.45 3.14 -1.26 -1.74 118.33 123.98 3kiy n VAL 138 Ca 0.48 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3kiy n VAL 138 Cb 0.12 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 3kiy n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kiy n GLY 139 N 6.21 1.66 2.31 7.55 0.00 -0.64 -4.92 105.19 117.36 3kiy n GLY 139 Ca 0.55 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 3kiy n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kiy n THR 140 N 0.00 1.15 -3.36 2.61 -2.24 -0.71 -3.63 114.28 108.09 3kiy n THR 140 Ca 0.00 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 3kiy n THR 140 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3kiy n THR 140 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kiy s VAL 141 N -0.80 4.85 0.06 2.28 -7.23 -1.26 -3.28 120.40 115.02 3kiy s VAL 141 Ca 0.43 1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 61.58 3kiy s VAL 141 Cb -0.59 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 32.52 3kiy s VAL 141 CO 0.40 0.49 0.04 0.54 -0.31 0.00 0.00 175.10 176.26 3kiy s VAL 142 N -1.18 0.19 0.08 1.32 0.11 -0.02 -0.28 120.40 120.62 3kiy s VAL 142 Ca 0.29 -1.60 0.01 0.00 -2.93 0.00 0.00 61.98 57.76 3kiy s VAL 142 Cb -0.18 -1.46 -0.00 0.00 -1.53 0.00 0.00 36.38 33.21 3kiy s VAL 142 CO 0.17 -0.88 0.04 0.00 -3.33 0.00 0.00 175.10 171.10 3kiy n HIS 143 N 0.05 -0.02 -3.95 1.54 1.44 -0.48 0.14 115.22 113.94 3kiy n HIS 143 Ca -0.14 -0.56 -0.41 0.00 -2.01 0.00 0.00 57.72 54.60 3kiy n HIS 143 Cb 0.61 0.02 0.02 0.00 0.12 0.00 0.00 29.99 30.76 3kiy n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kiy n ALA 144 N -2.57 -2.62 -2.71 1.59 0.00 -0.50 -2.03 120.51 111.66 3kiy n ALA 144 Ca -0.03 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 3kiy n ALA 144 Cb 0.13 -2.78 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 3kiy n ALA 144 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kiy s VAL 145 N -3.45 5.30 0.83 0.00 1.01 -0.61 -3.35 120.40 120.13 3kiy s VAL 145 Ca 0.44 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 3kiy s VAL 145 Cb -0.22 -3.55 0.09 0.00 0.00 0.00 0.00 36.38 32.71 3kiy s VAL 145 CO 0.94 0.58 1.11 -1.61 0.00 0.00 0.00 175.10 176.11 3kiy s GLU 146 N -0.86 1.78 -0.03 2.72 2.02 -1.05 -0.57 118.70 122.71 3kiy s GLU 146 Ca 0.18 0.53 0.04 0.00 0.02 0.00 0.00 54.97 55.75 3kiy s GLU 146 Cb -0.14 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 3kiy s GLU 146 CO 0.07 -1.81 0.05 -0.11 0.02 0.00 0.00 175.26 173.49 3kiy n LEU 147 N -3.54 0.00 -3.78 1.80 0.00 -1.26 -4.78 117.00 105.44 3kiy n LEU 147 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.94 3kiy n LEU 147 Cb 0.57 0.06 -0.15 0.00 0.00 0.00 0.00 43.42 43.91 3kiy n LEU 147 CO 0.57 0.06 -0.30 -1.61 0.00 0.00 0.00 177.39 176.11 3kiy s GLU 148 N -2.19 0.02 0.29 1.96 2.02 -1.26 -4.36 118.70 115.19 3kiy s GLU 148 Ca -0.02 0.21 -0.25 0.00 0.02 0.00 0.00 54.97 54.93 3kiy s GLU 148 Cb 0.02 -0.16 -0.16 0.00 0.10 0.00 0.00 34.13 33.93 3kiy s GLU 148 CO 0.18 -0.13 0.44 -0.35 0.02 0.00 0.00 175.26 175.43 3kiy n PRO 149 N 3.90 0.19 -3.93 0.39 -0.04 -1.26 -1.66 135.00 132.59 3kiy n PRO 149 Ca -0.23 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 3kiy n PRO 149 Cb 0.53 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 3kiy n PRO 149 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kiy n LYS 150 N 1.02 -2.51 0.00 0.54 4.76 -1.26 -4.79 118.16 115.91 3kiy n LYS 150 Ca 0.15 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 3kiy n LYS 150 Cb 0.32 -4.96 0.00 0.00 -1.84 0.00 0.00 35.03 28.55 3kiy n LYS 150 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kiy n LYS 151 N -3.94 0.78 0.00 1.97 5.02 -0.67 -5.12 118.16 116.21 3kiy n LYS 151 Ca 0.06 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 3kiy n LYS 151 Cb 0.49 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3kiy n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 152 N -0.21 0.15 3.75 0.72 0.00 -1.26 -4.95 105.19 103.38 3kiy n GLY 152 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3kiy n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 153 N -2.95 3.42 0.00 4.61 0.00 0.28 -4.00 121.76 123.13 3kiy s ALA 153 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3kiy s ALA 153 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3kiy s ALA 153 CO 0.00 -0.29 0.00 1.63 0.00 0.00 0.00 175.76 177.10 3kiy n LYS 154 N 1.87 0.00 -5.13 0.00 5.02 0.26 -4.91 118.16 115.27 3kiy n LYS 154 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 3kiy n LYS 154 Cb 0.45 -0.13 -0.16 0.00 -0.02 0.00 0.00 35.03 35.17 3kiy n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kiy s LEU 155 N 0.00 2.22 -0.31 -0.35 1.02 -0.44 -4.90 118.68 115.92 3kiy s LEU 155 Ca 0.00 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.56 3kiy s LEU 155 Cb 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.77 3kiy s LEU 155 CO 0.00 0.18 0.35 0.00 0.02 0.00 0.00 176.35 176.89 3kiy n ALA 156 N 3.41 -3.11 -0.66 4.21 0.00 -1.26 -1.57 120.51 121.53 3kiy n ALA 156 Ca -0.19 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3kiy n ALA 156 Cb 0.53 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3kiy n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kiy n ARG 157 N -0.11 0.09 -2.93 0.00 1.74 -1.26 -1.41 116.66 112.79 3kiy n ARG 157 Ca 0.07 -0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 3kiy n ARG 157 Cb 0.27 -0.50 -0.06 0.00 -1.02 0.00 0.00 32.46 31.14 3kiy n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kiy s ALA 158 N -0.04 3.37 -0.12 7.54 0.00 -1.26 -4.47 121.76 126.78 3kiy s ALA 158 Ca 0.00 0.40 -0.35 0.00 0.00 0.00 0.00 51.96 52.01 3kiy s ALA 158 Cb 0.00 -3.02 -0.16 0.00 0.00 0.00 0.00 23.12 19.94 3kiy s ALA 158 CO 0.00 0.26 1.01 0.00 0.00 0.00 0.00 175.76 177.03 3kiy n ALA 159 N 1.16 -2.51 -0.86 0.00 0.00 -1.26 -0.30 120.51 116.73 3kiy n ALA 159 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3kiy n ALA 159 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3kiy n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 160 N 1.85 0.39 3.90 0.00 0.00 0.57 -4.69 105.19 107.20 3kiy n GLY 160 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3kiy n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kiy s THR 161 N -2.05 2.58 0.00 2.61 -4.23 0.58 -4.62 115.64 110.51 3kiy s THR 161 Ca 0.00 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3kiy s THR 161 Cb 0.00 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3kiy s THR 161 CO 0.00 -0.23 0.00 -1.54 -0.54 0.00 0.00 174.62 172.31 3kiy n SER 162 N -3.16 0.00 -4.54 3.99 3.41 -1.26 -1.58 113.62 110.47 3kiy n SER 162 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.43 3kiy n SER 162 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 3kiy n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kiy s ALA 163 N -2.00 2.88 -0.03 7.33 0.00 0.12 -3.74 121.76 126.32 3kiy s ALA 163 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.37 3kiy s ALA 163 Cb 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3kiy s ALA 163 CO 0.00 0.37 -0.20 -1.14 0.00 0.00 0.00 175.76 174.78 3kiy s GLN 164 N -3.17 1.87 -0.22 0.00 0.74 -1.06 -0.84 119.66 116.97 3kiy s GLN 164 Ca 0.27 -0.72 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 3kiy s GLN 164 Cb -0.07 -1.69 -0.01 0.00 1.10 0.00 0.00 33.01 32.34 3kiy s GLN 164 CO 0.15 0.35 1.40 0.42 -0.55 0.00 0.00 175.29 177.07 3kiy s ILE 165 N -0.22 4.01 -0.09 -2.34 -1.09 -1.21 -1.83 121.20 118.43 3kiy s ILE 165 Ca 0.01 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3kiy s ILE 165 Cb -0.10 -3.94 -0.25 0.00 -1.58 0.00 0.00 42.46 36.59 3kiy s ILE 165 CO 0.01 -0.30 0.48 1.67 -1.23 0.00 0.00 174.94 175.57 3kiy n GLN 166 N 7.21 0.72 -3.39 2.79 -0.06 -0.06 -1.63 117.38 122.95 3kiy n GLN 166 Ca 0.16 0.28 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 3kiy n GLN 166 Cb 0.45 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 24.89 3kiy n GLN 166 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kiy n GLY 167 N 1.84 -1.51 3.45 1.69 0.00 -1.24 -4.86 105.19 104.56 3kiy n GLY 167 Ca -0.26 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 3kiy n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 168 N -0.16 0.77 0.00 1.61 5.12 -1.26 0.12 116.66 122.86 3kiy n ARG 168 Ca 0.00 -3.19 0.00 0.00 -1.93 0.00 0.00 57.85 52.73 3kiy n ARG 168 Cb 0.00 0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 3kiy n ARG 168 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3kiy n GLU 169 N -1.57 0.00 0.00 5.56 2.13 -0.70 -4.77 120.64 121.29 3kiy n GLU 169 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3kiy n GLU 169 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 3kiy n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kiy n GLY 170 N 0.00 -0.06 0.00 8.31 0.00 -1.26 -3.00 105.19 109.17 3kiy n GLY 170 Ca 0.00 -1.16 0.15 0.00 0.00 0.00 0.00 46.02 45.01 3kiy n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kiy n ASP 171 N 1.79 0.00 -4.96 1.61 8.00 -1.26 -4.83 116.55 116.90 3kiy n ASP 171 Ca 0.00 -0.37 -0.22 0.00 0.71 0.00 0.00 54.79 54.92 3kiy n ASP 171 Cb 0.00 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 3kiy n ASP 171 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kiy s TYR 172 N -2.42 3.42 0.02 1.24 2.02 -1.16 -0.89 117.35 119.58 3kiy s TYR 172 Ca 0.34 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 3kiy s TYR 172 Cb 0.21 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 3kiy s TYR 172 CO 0.43 0.28 -0.12 0.54 -1.57 0.00 0.00 175.55 175.12 3kiy s VAL 173 N -2.11 0.94 -0.14 0.71 0.11 -0.05 -1.72 120.40 118.15 3kiy s VAL 173 Ca 0.37 -0.81 -0.17 0.00 -2.93 0.00 0.00 61.98 58.44 3kiy s VAL 173 Cb -0.09 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3kiy s VAL 173 CO 0.31 0.04 0.41 -0.63 -3.33 0.00 0.00 175.10 171.90 3kiy s ILE 174 N -0.70 5.23 0.04 7.04 1.01 0.12 -1.14 121.20 132.80 3kiy s ILE 174 Ca 0.01 0.81 0.08 0.00 0.00 0.00 0.00 60.65 61.55 3kiy s ILE 174 Cb -0.07 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3kiy s ILE 174 CO 0.01 0.34 -0.22 -0.76 0.00 0.00 0.00 174.94 174.31 3kiy s LEU 175 N 0.59 2.39 -0.44 2.97 1.43 0.14 -0.89 118.68 124.87 3kiy s LEU 175 Ca 0.22 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 3kiy s LEU 175 Cb -0.14 -1.40 0.11 0.00 0.03 0.00 0.00 46.19 44.79 3kiy s LEU 175 CO 0.08 0.26 0.29 -0.60 0.23 0.00 0.00 176.35 176.61 3kiy s ARG 176 N -1.34 2.39 0.79 1.70 3.52 -0.76 -1.36 118.95 123.88 3kiy s ARG 176 Ca 0.13 -1.72 -0.11 0.00 -0.13 0.00 0.00 55.73 53.91 3kiy s ARG 176 Cb -0.10 -3.81 0.07 0.00 -1.56 0.00 0.00 34.95 29.55 3kiy s ARG 176 CO 0.04 -1.11 1.09 -0.51 -0.81 0.00 0.00 175.30 173.99 3kiy s LEU 177 N 1.32 2.95 0.26 -0.88 1.43 -0.83 -2.57 118.68 120.37 3kiy s LEU 177 Ca 0.06 1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 54.91 3kiy s LEU 177 Cb -0.25 -4.47 0.52 0.00 0.03 0.00 0.00 46.19 42.03 3kiy s LEU 177 CO -0.01 -2.13 1.61 -0.65 0.23 0.00 0.00 176.35 175.41 3kiy h PRO 178 N -1.19 0.07 -0.43 1.29 0.11 -1.90 0.63 132.00 130.58 3kiy h PRO 178 Ca -0.44 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 3kiy h PRO 178 Cb 1.24 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3kiy h PRO 178 CO 0.51 0.05 0.29 0.66 -0.21 0.00 0.00 178.00 179.30 3kiy h SER 179 N 0.08 0.44 0.00 -2.05 4.64 -1.92 -3.46 113.55 111.27 3kiy h SER 179 Ca 0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3kiy h SER 179 Cb 0.85 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3kiy h SER 179 CO -0.75 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.12 3kiy n GLY 180 N -1.48 1.19 3.79 -0.77 0.00 0.22 -5.10 105.19 103.04 3kiy n GLY 180 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3kiy n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kiy s GLU 181 N -0.15 3.72 -0.34 1.61 2.12 -1.26 -4.73 118.70 119.67 3kiy s GLU 181 Ca 0.00 1.42 -0.11 0.00 0.36 0.00 0.00 54.97 56.64 3kiy s GLU 181 Cb 0.00 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.30 3kiy s GLU 181 CO 0.00 -0.51 0.19 -0.51 -0.54 0.00 0.00 175.26 173.89 3kiy s LEU 182 N -3.52 4.39 0.20 2.70 1.43 -1.26 -1.96 118.68 120.66 3kiy s LEU 182 Ca 0.68 -0.64 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3kiy s LEU 182 Cb -0.18 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3kiy s LEU 182 CO 0.22 -0.26 -0.23 -0.60 0.23 0.00 0.00 176.35 175.70 3kiy s ARG 183 N 1.62 1.50 -0.53 1.70 3.52 -0.47 -0.91 118.95 125.39 3kiy s ARG 183 Ca 0.04 -1.53 -0.15 0.00 -0.13 0.00 0.00 55.73 53.96 3kiy s ARG 183 Cb -0.18 -1.78 0.13 0.00 -1.56 0.00 0.00 34.95 31.56 3kiy s ARG 183 CO 0.07 0.38 0.47 0.15 -0.81 0.00 0.00 175.30 175.57 3kiy s LYS 184 N -2.75 2.91 0.45 5.12 1.02 0.27 -0.68 119.74 126.07 3kiy s LYS 184 Ca 0.21 -1.71 -0.02 0.00 0.02 0.00 0.00 55.97 54.47 3kiy s LYS 184 Cb -0.07 -4.24 -0.02 0.00 -0.52 0.00 0.00 37.83 32.98 3kiy s LYS 184 CO 0.10 -1.30 0.71 0.08 -0.92 0.00 0.00 175.35 174.01 3kiy s VAL 185 N 1.56 4.53 0.73 3.17 1.01 -0.29 -4.84 120.40 126.27 3kiy s VAL 185 Ca 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3kiy s VAL 185 Cb -0.29 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.42 3kiy s VAL 185 CO 0.02 -0.58 1.07 -2.28 0.00 0.00 0.00 175.10 173.34 3kiy s HIS 186 N -2.61 3.03 -0.04 5.22 2.46 -1.26 -0.87 115.29 121.22 3kiy s HIS 186 Ca 0.47 1.29 -0.26 0.00 0.47 0.00 0.00 55.06 57.03 3kiy s HIS 186 Cb -0.10 -2.98 -0.21 0.00 -0.13 0.00 0.00 32.58 29.16 3kiy s HIS 186 CO 0.41 -1.43 1.19 0.78 -2.47 0.00 0.00 174.74 173.22 3kiy h GLY 187 N -0.85 0.00 1.61 1.59 0.00 -1.34 -3.08 103.07 101.00 3kiy h GLY 187 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kiy h GLY 187 CO 0.58 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.31 3kiy n GLU 188 N -4.81 0.01 -2.20 4.80 -0.58 -1.26 -1.65 120.64 114.94 3kiy n GLU 188 Ca -0.09 0.30 -0.43 0.00 -0.42 0.00 0.00 57.16 56.52 3kiy n GLU 188 Cb 0.29 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 3kiy n GLU 188 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kiy n TYR 190 N 8.01 -3.82 0.00 0.00 4.02 -1.26 0.06 117.16 124.16 3kiy n TYR 190 Ca 0.17 -0.86 0.00 0.00 -0.01 0.00 0.00 57.90 57.20 3kiy n TYR 190 Cb 0.45 -1.20 0.00 0.00 -0.02 0.00 0.00 39.34 38.57 3kiy n TYR 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kiy n ALA 191 N -5.52 0.00 -2.67 -0.72 0.00 -1.18 -2.53 120.51 107.89 3kiy n ALA 191 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 3kiy n ALA 191 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 3kiy n ALA 191 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kiy s THR 192 N -0.17 5.34 0.28 0.00 -1.32 -0.86 -1.94 115.64 116.96 3kiy s THR 192 Ca 0.00 0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.44 3kiy s THR 192 Cb 0.00 -3.53 -0.13 0.00 -1.51 0.00 0.00 72.50 67.33 3kiy s THR 192 CO 0.00 0.34 1.39 0.55 -2.21 0.00 0.00 174.62 174.69 3kiy n VAL 193 N 4.21 1.29 0.00 5.08 3.14 -0.25 -1.38 118.33 130.42 3kiy n VAL 193 Ca -0.14 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 3kiy n VAL 193 Cb 0.52 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 3kiy n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kiy n GLY 194 N 1.72 1.39 3.96 7.55 0.00 0.61 -1.75 105.19 118.68 3kiy n GLY 194 Ca 0.09 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 3kiy n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 195 N -1.53 3.91 0.54 4.61 0.00 -1.26 -1.46 121.76 126.58 3kiy s ALA 195 Ca 0.00 -1.17 0.21 0.00 0.00 0.00 0.00 51.96 51.01 3kiy s ALA 195 Cb 0.00 -1.78 1.44 0.00 0.00 0.00 0.00 23.12 22.78 3kiy s ALA 195 CO 0.00 0.25 2.15 0.28 0.00 0.00 0.00 175.76 178.44 3kiy h VAL 196 N 1.18 0.82 0.00 0.00 2.07 -1.55 0.38 116.25 119.16 3kiy h VAL 196 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kiy h VAL 196 Cb 1.22 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3kiy h VAL 196 CO 0.62 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.82 3kiy n GLY 197 N -1.49 -1.74 2.72 2.17 0.00 -1.26 -3.53 105.19 102.06 3kiy n GLY 197 Ca -0.01 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 3kiy n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kiy n ASN 198 N -2.23 -5.65 0.17 1.61 4.05 -1.26 -0.31 115.26 111.62 3kiy n ASN 198 Ca 0.00 -0.13 0.09 0.00 0.45 0.00 0.00 54.58 54.99 3kiy n ASN 198 Cb 0.00 -4.65 0.49 0.00 1.23 0.00 0.00 39.78 36.85 3kiy n ASN 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kiy n ALA 199 N -2.77 0.84 0.35 5.20 0.00 -1.26 -0.92 120.51 121.95 3kiy n ALA 199 Ca -0.17 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3kiy n ALA 199 Cb 0.64 -1.07 0.55 0.00 0.00 0.00 0.00 19.45 19.58 3kiy n ALA 199 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kiy h ASP 200 N 0.00 0.00 -0.48 0.00 3.32 -1.93 -3.34 116.42 113.99 3kiy h ASP 200 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3kiy h ASP 200 Cb 0.29 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 3kiy h ASP 200 CO 0.00 0.00 -0.42 -0.74 -1.72 0.00 0.00 179.24 176.36 3kiy h HIS 201 N 0.00 -1.32 0.00 4.55 2.76 -1.39 0.29 115.15 120.03 3kiy h HIS 201 Ca 0.00 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3kiy h HIS 201 Cb 0.35 0.64 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3kiy h HIS 201 CO 0.00 -0.33 0.53 0.36 -1.30 0.00 0.00 177.93 177.20 3kiy n LYS 202 N -4.67 0.03 -0.01 5.26 2.85 -1.25 -0.99 118.16 119.38 3kiy n LYS 202 Ca -0.01 0.41 0.13 0.00 -1.05 0.00 0.00 58.31 57.80 3kiy n LYS 202 Cb 0.23 -2.13 0.36 0.00 -0.65 0.00 0.00 35.03 32.83 3kiy n LYS 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3kiy n ASN 203 N -1.68 2.11 -4.78 -5.58 3.02 0.10 -4.95 115.26 103.49 3kiy n ASN 203 Ca -0.00 -1.70 -0.36 0.00 -0.03 0.00 0.00 54.58 52.48 3kiy n ASN 203 Cb 0.54 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 3kiy n ASN 203 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kiy s ILE 204 N -1.98 4.02 -0.34 2.41 -4.36 -0.16 -5.00 121.20 115.79 3kiy s ILE 204 Ca 0.34 1.59 -0.04 0.00 -0.26 0.00 0.00 60.65 62.27 3kiy s ILE 204 Cb 0.21 -3.84 0.06 0.00 1.25 0.00 0.00 42.46 40.13 3kiy s ILE 204 CO 0.32 0.05 0.09 -0.69 0.24 0.00 0.00 174.94 174.95 3kiy s VAL 205 N -1.68 3.46 0.13 8.37 1.01 -1.25 -4.98 120.40 125.46 3kiy s VAL 205 Ca 0.54 -1.38 -0.32 0.00 0.00 0.00 0.00 61.98 60.82 3kiy s VAL 205 Cb -0.19 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 3kiy s VAL 205 CO 0.25 -0.26 1.54 -0.07 0.00 0.00 0.00 175.10 176.55 3kiy h LEU 206 N 8.13 -1.87 0.00 3.92 3.38 -1.91 -0.66 115.31 126.30 3kiy h LEU 206 Ca -0.21 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kiy h LEU 206 Cb 1.07 0.77 0.00 0.00 0.09 0.00 0.00 40.66 42.59 3kiy h LEU 206 CO 0.60 -0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.37 3kiy n GLY 207 N -1.35 2.21 0.00 0.83 0.00 -1.26 -4.48 105.19 101.14 3kiy n GLY 207 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3kiy n GLY 207 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kiy n LYS 208 N 0.00 1.66 -0.01 1.61 2.85 -1.25 -4.73 118.16 118.28 3kiy n LYS 208 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 3kiy n LYS 208 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 3kiy n LYS 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kiy n ALA 209 N -3.00 1.69 -1.29 0.58 0.00 -1.26 -4.49 120.51 112.74 3kiy n ALA 209 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.58 3kiy n ALA 209 Cb 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 19.45 18.77 3kiy n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 210 N 1.51 -1.89 4.64 0.00 0.00 -1.26 -2.82 105.19 105.38 3kiy n GLY 210 Ca -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3kiy n GLY 210 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kiy n ARG 211 N -2.84 0.00 0.08 1.61 3.00 -1.26 -3.97 116.66 113.28 3kiy n ARG 211 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.91 3kiy n ARG 211 Cb 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 32.46 32.69 3kiy n ARG 211 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kiy h SER 212 N 0.00 0.00 0.11 6.15 0.87 -1.75 -3.07 113.55 115.86 3kiy h SER 212 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 3kiy h SER 212 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3kiy h SER 212 CO 0.00 0.77 -0.65 0.03 -0.53 0.00 0.00 176.83 176.45 3kiy h ARG 213 N 0.00 0.25 -0.40 2.24 2.47 -1.65 -2.12 114.38 115.18 3kiy h ARG 213 Ca -0.05 -0.41 0.11 0.00 -1.26 0.00 0.00 59.98 58.37 3kiy h ARG 213 Cb 1.63 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 30.08 3kiy h ARG 213 CO 0.09 1.19 0.46 -1.49 0.56 0.00 0.00 179.97 180.79 3kiy h TRP 214 N -0.48 0.00 -0.46 3.04 6.55 -1.84 0.55 115.95 123.30 3kiy h TRP 214 Ca -0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.73 3kiy h TRP 214 Cb 1.51 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.81 3kiy h TRP 214 CO 0.21 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.88 3kiy n LEU 215 N -3.62 3.79 -0.64 -4.49 4.77 -1.16 -2.66 117.00 112.99 3kiy n LEU 215 Ca 0.07 -1.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.05 3kiy n LEU 215 Cb 0.63 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3kiy n LEU 215 CO 0.26 0.60 -0.08 0.61 -1.33 0.00 0.00 177.39 177.45 3kiy n GLY 216 N 0.80 1.01 3.29 -0.72 0.00 0.19 -4.95 105.19 104.81 3kiy n GLY 216 Ca 0.19 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3kiy n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kiy s ARG 217 N -2.59 2.64 0.86 1.61 0.52 -0.80 -2.04 118.95 119.15 3kiy s ARG 217 Ca 0.00 -1.35 -0.11 0.00 -0.52 0.00 0.00 55.73 53.75 3kiy s ARG 217 Cb 0.00 -3.72 0.11 0.00 0.52 0.00 0.00 34.95 31.86 3kiy s ARG 217 CO 0.00 -0.86 1.09 1.03 0.02 0.00 0.00 175.30 176.58 3kiy s ARG 218 N 1.44 1.51 0.54 3.54 1.81 -0.30 -4.08 118.95 123.42 3kiy s ARG 218 Ca 0.02 1.01 -0.21 0.00 -1.72 0.00 0.00 55.73 54.83 3kiy s ARG 218 Cb -0.22 -1.82 -0.05 0.00 -0.45 0.00 0.00 34.95 32.41 3kiy s ARG 218 CO 0.03 -2.12 1.32 -1.25 -0.68 0.00 0.00 175.30 172.60 3kiy s PRO 219 N -4.88 3.17 -0.31 3.54 0.04 -1.26 -4.84 135.00 130.46 3kiy s PRO 219 Ca 0.63 2.14 -0.04 0.00 0.04 0.00 0.00 61.00 63.77 3kiy s PRO 219 Cb -0.18 -2.23 0.04 0.00 0.04 0.00 0.00 34.50 32.16 3kiy s PRO 219 CO 0.57 -1.14 0.05 -1.58 0.04 0.00 0.00 177.00 174.94 3kiy s HIS 220 N -1.35 3.23 -0.17 0.56 2.46 -1.26 -4.76 115.29 114.00 3kiy s HIS 220 Ca 0.72 -1.57 -0.19 0.00 0.47 0.00 0.00 55.06 54.49 3kiy s HIS 220 Cb -0.38 -2.19 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 3kiy s HIS 220 CO 0.45 -0.74 0.54 0.54 -2.47 0.00 0.00 174.74 173.05 3kiy s VAL 221 N 1.35 5.11 0.57 0.89 0.11 -1.26 -5.04 120.40 122.12 3kiy s VAL 221 Ca -0.03 1.03 -0.21 0.00 -2.93 0.00 0.00 61.98 59.84 3kiy s VAL 221 Cb -0.19 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 3kiy s VAL 221 CO 0.01 0.21 1.30 -0.13 -3.33 0.00 0.00 175.10 173.16 3kiy s ARG 222 N 1.34 3.04 0.01 1.54 0.52 -1.26 -4.97 118.95 119.18 3kiy s ARG 222 Ca 0.26 2.09 -0.05 0.00 -0.52 0.00 0.00 55.73 57.52 3kiy s ARG 222 Cb -0.16 -2.13 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 3kiy s ARG 222 CO 0.10 -1.22 1.07 0.78 0.02 0.00 0.00 175.30 176.05 3kiy h GLY 223 N 1.22 -0.93 -7.27 -3.53 0.00 -1.96 -3.26 103.07 87.34 3kiy h GLY 223 Ca -0.51 0.41 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 3kiy h GLY 223 CO 0.56 -0.34 0.49 0.00 0.00 0.00 0.00 176.54 177.26 3kiy s ALA 224 N -3.64 1.31 0.00 3.60 0.00 -1.26 -0.20 121.76 121.57 3kiy s ALA 224 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3kiy s ALA 224 Cb 0.01 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.55 3kiy s ALA 224 CO 0.08 -5.28 0.00 0.00 0.00 0.00 0.00 175.76 170.56 3kiy n ALA 225 N 15.74 0.00 -1.94 0.00 0.00 -1.23 -4.97 120.51 128.11 3kiy n ALA 225 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3kiy n ALA 225 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3kiy n ALA 225 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kiy n MET 226 N 0.00 0.76 -4.55 0.00 2.81 0.73 -4.96 117.12 111.90 3kiy n MET 226 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 3kiy n MET 226 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 3kiy n MET 226 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3kiy s ASN 227 N -1.00 3.92 0.25 7.83 -0.87 -1.26 -2.21 114.94 121.60 3kiy s ASN 227 Ca 0.00 -1.30 0.00 0.00 -1.57 0.00 0.00 52.86 50.00 3kiy s ASN 227 Cb 0.00 -0.40 0.59 0.00 -0.02 0.00 0.00 41.25 41.42 3kiy s ASN 227 CO 0.00 -0.41 1.29 -2.65 -2.57 0.00 0.00 177.10 172.76 3kiy n PRO 228 N -0.97 -0.07 0.24 -0.60 -0.02 -1.26 0.10 135.00 132.43 3kiy n PRO 228 Ca -0.05 1.24 0.08 0.00 -2.02 0.00 0.00 63.50 62.75 3kiy n PRO 228 Cb 0.66 -1.95 0.58 0.00 -0.02 0.00 0.00 33.50 32.76 3kiy n PRO 228 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kiy h VAL 229 N 0.00 0.95 0.00 -1.45 2.07 -1.96 -3.33 116.25 112.52 3kiy h VAL 229 Ca 0.48 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3kiy h VAL 229 Cb 0.96 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3kiy h VAL 229 CO -0.79 0.17 -0.26 0.44 0.02 0.00 0.00 177.57 177.15 3kiy h ASP 230 N 0.00 0.00 -3.61 0.57 3.32 0.31 -3.49 116.42 113.52 3kiy h ASP 230 Ca -0.00 -0.07 -0.42 0.00 0.02 0.00 0.00 57.03 56.56 3kiy h ASP 230 Cb 0.34 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.75 3kiy h ASP 230 CO 0.02 0.67 -0.64 -2.28 -1.72 0.00 0.00 179.24 175.30 3kiy s HIS 231 N -1.90 1.75 -0.07 4.55 2.46 -1.07 -4.96 115.29 116.04 3kiy s HIS 231 Ca -0.08 -0.94 0.13 0.00 0.47 0.00 0.00 55.06 54.64 3kiy s HIS 231 Cb 0.01 -1.07 -0.04 0.00 -0.13 0.00 0.00 32.58 31.35 3kiy s HIS 231 CO 0.15 -0.02 1.32 -1.00 -2.47 0.00 0.00 174.74 172.72 3kiy h PRO 232 N 2.31 0.00 0.00 2.88 0.13 -1.81 -3.10 132.00 132.41 3kiy h PRO 232 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3kiy h PRO 232 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kiy h PRO 232 CO 0.66 0.62 0.00 0.72 -0.23 0.00 0.00 178.00 179.78 3kiy n HIS 233 N -3.22 0.83 -0.24 1.56 8.25 -1.26 -4.84 115.22 116.30 3kiy n HIS 233 Ca -0.00 0.30 -0.14 0.00 -0.26 0.00 0.00 57.72 57.62 3kiy n HIS 233 Cb 0.81 -0.98 0.14 0.00 1.12 0.00 0.00 29.99 31.08 3kiy n HIS 233 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiy n GLY 234 N 0.43 -2.76 6.24 -1.41 0.00 -1.17 -4.15 105.19 102.37 3kiy n GLY 234 Ca 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.17 3kiy n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 235 N -2.11 -1.42 0.40 -0.02 0.00 -0.94 -4.37 105.19 96.74 3kiy n GLY 235 Ca 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3kiy n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 236 N -0.40 -0.58 3.65 -0.02 0.00 -1.26 -4.84 105.19 101.73 3kiy n GLY 236 Ca 0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3kiy n GLY 236 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kiy s GLU 237 N -0.88 4.01 0.00 1.61 2.02 -1.26 -4.43 118.70 119.77 3kiy s GLU 237 Ca 0.00 1.95 0.00 0.00 0.02 0.00 0.00 54.97 56.94 3kiy s GLU 237 Cb 0.00 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.23 3kiy s GLU 237 CO 0.00 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3kiy n GLY 238 N 4.35 -3.20 3.46 -1.39 0.00 -1.26 -4.82 105.19 102.33 3kiy n GLY 238 Ca 0.18 -1.04 -0.49 0.00 0.00 0.00 0.00 46.02 44.67 3kiy n GLY 238 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kiy n ARG 239 N -0.69 0.36 -3.30 1.61 1.85 -1.26 -4.95 116.66 110.27 3kiy n ARG 239 Ca 0.00 0.13 -0.13 0.00 -1.00 0.00 0.00 57.85 56.84 3kiy n ARG 239 Cb 0.00 -1.30 -0.04 0.00 -1.05 0.00 0.00 32.46 30.07 3kiy n ARG 239 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kiy n ALA 240 N 0.35 0.32 -3.86 2.89 0.00 -1.26 -5.12 120.51 113.83 3kiy n ALA 240 Ca 0.16 -1.13 -0.30 0.00 0.00 0.00 0.00 53.44 52.17 3kiy n ALA 240 Cb 0.24 0.78 -0.12 0.00 0.00 0.00 0.00 19.45 20.35 3kiy n ALA 240 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kiy s PRO 241 N -2.84 2.47 5.86 0.00 0.04 -1.26 -5.02 135.00 134.26 3kiy s PRO 241 Ca 0.12 -3.10 0.00 0.00 0.04 0.00 0.00 61.00 58.06 3kiy s PRO 241 Cb 0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3kiy s PRO 241 CO 0.09 -1.23 0.00 0.54 0.04 0.00 0.00 177.00 176.44 3kiy n ARG 242 N 2.41 0.00 0.00 4.56 3.00 -1.26 -4.30 116.66 121.07 3kiy n ARG 242 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 3kiy n ARG 242 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.81 3kiy n ARG 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kiy n GLY 243 N 0.00 -0.30 0.71 -0.13 0.00 -1.26 -4.90 105.19 99.31 3kiy n GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kiy n ARG 244 N 0.00 -2.02 -3.88 1.61 0.63 -1.26 -5.04 116.66 106.69 3kiy n ARG 244 Ca 0.00 1.49 -0.27 0.00 -0.92 0.00 0.00 57.85 58.15 3kiy n ARG 244 Cb 0.00 -1.66 -0.17 0.00 0.45 0.00 0.00 32.46 31.08 3kiy n ARG 244 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3kiy s PRO 245 N -4.37 1.38 0.00 -0.14 0.04 -1.26 -4.97 135.00 125.68 3kiy s PRO 245 Ca 0.00 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.63 3kiy s PRO 245 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3kiy s PRO 245 CO 0.00 -0.39 0.00 -2.30 0.04 0.00 0.00 177.00 174.35 3kiy n PRO 246 N 4.92 0.00 -4.55 0.56 -0.02 -1.26 -4.70 135.00 129.95 3kiy n PRO 246 Ca -0.12 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.11 3kiy n PRO 246 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.86 3kiy n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kiy s ALA 247 N 0.00 2.86 0.44 3.55 0.00 -1.26 -0.57 121.76 126.77 3kiy s ALA 247 Ca 0.00 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 49.86 3kiy s ALA 247 Cb 0.00 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.42 3kiy s ALA 247 CO 0.00 -0.15 0.59 -1.54 0.00 0.00 0.00 175.76 174.67 3kiy s SER 248 N -3.62 5.57 0.62 0.00 1.04 0.48 -4.74 113.70 113.05 3kiy s SER 248 Ca 0.35 -0.49 0.32 0.00 0.48 0.00 0.00 55.95 56.61 3kiy s SER 248 Cb 0.08 -0.53 1.81 0.00 0.10 0.00 0.00 66.02 67.48 3kiy s SER 248 CO 0.17 -0.83 2.12 1.55 0.98 0.00 0.00 173.24 177.22 3kiy h PRO 249 N 0.60 0.00 0.00 4.02 0.13 -1.93 -1.57 132.00 133.25 3kiy h PRO 249 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3kiy h PRO 249 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kiy h PRO 249 CO 0.45 0.00 -0.85 -1.49 -0.23 0.00 0.00 178.00 175.88 3kiy h TRP 250 N 0.00 0.00 0.00 1.56 6.55 -1.93 -3.42 115.95 118.70 3kiy h TRP 250 Ca 0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 3kiy h TRP 250 Cb 0.44 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 3kiy h TRP 250 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 3kiy n GLY 251 N 1.20 2.67 3.76 1.49 0.00 -0.59 -5.12 105.19 108.60 3kiy n GLY 251 Ca 0.01 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3kiy n GLY 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3kiy s TRP 252 N -0.22 2.49 0.65 1.61 1.48 -1.26 -4.52 118.94 119.16 3kiy s TRP 252 Ca 0.00 1.49 -0.16 0.00 -1.06 0.00 0.00 56.10 56.37 3kiy s TRP 252 Cb 0.00 -3.53 -0.01 0.00 -1.16 0.00 0.00 33.47 28.77 3kiy s TRP 252 CO 0.00 -2.20 1.13 -0.65 -4.06 0.00 0.00 176.95 171.17 3kiy s GLN 253 N -3.06 2.81 0.00 3.25 -0.21 -1.26 -0.39 119.66 120.80 3kiy s GLN 253 Ca 0.72 1.48 0.00 0.00 0.02 0.00 0.00 55.36 57.58 3kiy s GLN 253 Cb -0.32 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3kiy s GLN 253 CO 0.37 -1.26 0.58 -2.37 -2.12 0.00 0.00 175.29 170.49 3kiy n THR 254 N -2.27 0.23 -3.89 -0.19 5.66 0.26 -4.74 114.28 109.34 3kiy n THR 254 Ca 0.11 -0.57 -0.34 0.00 -3.05 0.00 0.00 64.05 60.20 3kiy n THR 254 Cb 0.52 0.96 -0.13 0.00 -1.55 0.00 0.00 70.33 70.12 3kiy n THR 254 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kiy s LYS 255 N -0.23 1.86 0.00 1.09 -0.14 -1.25 -4.85 119.74 116.22 3kiy s LYS 255 Ca 0.00 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 52.84 3kiy s LYS 255 Cb 0.00 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 3kiy s LYS 255 CO 0.00 -0.97 0.00 0.41 -0.76 0.00 0.00 175.35 174.03 3kiy n GLY 256 N 4.47 2.14 1.76 -3.33 0.00 -1.26 -5.04 105.19 103.93 3kiy n GLY 256 Ca -0.01 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3kiy n GLY 256 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kiy n LEU 257 N 0.00 0.54 -4.80 0.99 0.00 -1.26 -4.90 117.00 107.57 3kiy n LEU 257 Ca 0.00 0.53 -0.35 0.00 0.00 0.00 0.00 56.01 56.19 3kiy n LEU 257 Cb 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 43.42 42.93 3kiy n LEU 257 CO 0.00 -0.40 0.61 -0.54 0.00 0.00 0.00 177.39 177.06 3kiy s LYS 258 N 1.67 4.40 -0.12 1.96 1.02 -1.26 -4.98 119.74 122.44 3kiy s LYS 258 Ca 0.51 1.17 -0.01 0.00 0.02 0.00 0.00 55.97 57.67 3kiy s LYS 258 Cb -0.72 -2.59 -0.07 0.00 -0.52 0.00 0.00 37.83 33.93 3kiy s LYS 258 CO 0.38 0.19 -0.11 2.41 -0.92 0.00 0.00 175.35 177.30 3kiy n THR 259 N 0.15 0.67 -1.49 2.17 -1.04 -1.26 -5.06 114.28 108.42 3kiy n THR 259 Ca 0.03 -0.24 -0.47 0.00 -2.04 0.00 0.00 64.05 61.33 3kiy n THR 259 Cb 0.52 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 3kiy n THR 259 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3kiy n ARG 260 N -2.98 0.61 -1.65 -2.82 1.85 -1.26 -4.75 116.66 105.65 3kiy n ARG 260 Ca -0.21 0.21 -0.52 0.00 -1.00 0.00 0.00 57.85 56.33 3kiy n ARG 260 Cb 0.71 -1.40 -0.06 0.00 -1.05 0.00 0.00 32.46 30.67 3kiy n ARG 260 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3kiy n LYS 261 N 0.92 1.44 0.00 2.89 4.81 -1.26 -4.92 118.16 122.04 3kiy n LYS 261 Ca 0.14 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3kiy n LYS 261 Cb 0.28 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3kiy n LYS 261 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3kiy n ARG 262 N 4.12 0.00 0.00 1.64 0.63 -1.26 -3.13 116.66 118.66 3kiy n ARG 262 Ca 0.21 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3kiy n ARG 262 Cb 0.20 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 32.27 3kiy n ARG 262 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kiy n ARG 263 N -0.53 0.51 -2.02 -0.14 1.74 -1.26 -4.91 116.66 110.05 3kiy n ARG 263 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3kiy n ARG 263 Cb 0.00 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3kiy n ARG 263 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3kiy s LYS 264 N 0.39 4.26 0.17 5.56 2.20 -1.18 -4.89 119.74 126.24 3kiy s LYS 264 Ca 0.00 2.28 0.19 0.00 -0.36 0.00 0.00 55.97 58.07 3kiy s LYS 264 Cb 0.00 -3.15 0.81 0.00 -1.51 0.00 0.00 37.83 33.98 3kiy s LYS 264 CO 0.00 -0.48 1.57 -0.35 -0.36 0.00 0.00 175.35 175.73 3kiy n PRO 265 N 3.15 0.11 0.25 4.03 -0.04 -1.26 -1.74 135.00 139.50 3kiy n PRO 265 Ca 0.10 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 3kiy n PRO 265 Cb 0.40 -1.74 0.53 0.00 -0.04 0.00 0.00 33.50 32.66 3kiy n PRO 265 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kiy h SER 266 N 0.00 0.00 -3.40 3.54 0.87 -1.98 -3.43 113.55 109.15 3kiy h SER 266 Ca 0.00 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.14 3kiy h SER 266 Cb 0.25 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 62.41 3kiy h SER 266 CO 0.00 0.07 0.05 -0.44 -0.53 0.00 0.00 176.83 175.98 3kiy s SER 267 N -5.92 0.76 -1.14 6.23 0.01 -0.71 -3.50 113.70 109.43 3kiy s SER 267 Ca 0.02 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.28 3kiy s SER 267 Cb 0.09 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.82 3kiy s SER 267 CO 0.59 -4.26 0.00 0.54 0.41 0.00 0.00 173.24 170.52 3kiy n ARG 268 N -4.91 -0.88 0.00 12.44 1.74 -1.26 -4.65 116.66 119.15 3kiy n ARG 268 Ca 0.09 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3kiy n ARG 268 Cb 0.58 -4.83 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 3kiy n ARG 268 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kiy n PHE 269 N -3.29 0.00 -4.22 -1.55 3.72 -1.23 -5.03 117.46 105.86 3kiy n PHE 269 Ca -0.13 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.01 3kiy n PHE 269 Cb 0.49 0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.96 3kiy n PHE 269 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3kiy s ILE 270 N 0.00 2.14 -0.32 4.37 -5.25 -1.26 0.94 121.20 121.82 3kiy s ILE 270 Ca 0.00 -1.74 0.03 0.00 -0.99 0.00 0.00 60.65 57.95 3kiy s ILE 270 Cb 0.00 -2.88 0.25 0.00 2.95 0.00 0.00 42.46 42.77 3kiy s ILE 270 CO 0.00 0.00 1.31 2.30 -1.79 0.00 0.00 174.94 176.76 3kiy n ILE 271 N -1.24 0.00 0.00 8.37 -5.35 -0.09 -4.94 119.36 116.11 3kiy n ILE 271 Ca -0.03 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 3kiy n ILE 271 Cb 0.65 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 3kiy n ILE 271 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79