#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks3 s TRP 5 N 0.00 2.22 0.00 4.41 1.48 -1.26 -4.88 118.94 120.92 3ks3 s TRP 5 Ca 0.00 1.60 0.00 0.00 -1.06 0.00 0.00 56.10 56.64 3ks3 s TRP 5 Cb 0.00 -3.33 0.00 0.00 -1.16 0.00 0.00 33.47 28.98 3ks3 s TRP 5 CO 0.00 -2.28 0.00 0.41 -4.06 0.00 0.00 176.95 171.02 3ks3 n GLY 6 N -0.03 2.52 0.16 3.67 0.00 -0.27 -5.03 105.19 106.21 3ks3 n GLY 6 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3ks3 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ks3 n TYR 7 N 0.00 0.00 -2.25 1.61 4.01 -1.26 -3.78 117.16 115.49 3ks3 n TYR 7 Ca 0.00 -0.52 -0.26 0.00 -0.16 0.00 0.00 57.90 56.95 3ks3 n TYR 7 Cb 0.00 -0.09 0.13 0.00 -0.31 0.00 0.00 39.34 39.07 3ks3 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3ks3 s GLY 8 N -1.70 1.75 0.36 2.72 0.00 -1.26 -4.72 107.32 104.48 3ks3 s GLY 8 Ca 0.14 -1.36 0.07 0.00 0.00 0.00 0.00 44.72 43.56 3ks3 s GLY 8 CO 0.01 -0.75 1.91 1.70 0.00 0.00 0.00 173.10 175.98 3ks3 h LYS 9 N -0.99 0.41 -0.00 2.90 3.64 -1.97 0.94 116.57 121.50 3ks3 h LYS 9 Ca -0.41 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ks3 h LYS 9 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3ks3 h LYS 9 CO 0.43 0.46 -0.79 0.72 -2.27 0.00 0.00 179.45 178.01 3ks3 n HIS 10 N -4.30 0.00 -1.38 1.91 8.25 -1.26 -4.44 115.22 114.00 3ks3 n HIS 10 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3ks3 n HIS 10 Cb 0.23 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3ks3 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ks3 n ASN 11 N -1.43 0.11 -2.33 0.41 6.94 -1.09 -4.97 115.26 112.90 3ks3 n ASN 11 Ca 0.05 -1.48 -0.05 0.00 -0.02 0.00 0.00 54.58 53.08 3ks3 n ASN 11 Cb 0.34 -0.09 0.03 0.00 -2.36 0.00 0.00 39.78 37.70 3ks3 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ks3 n GLY 12 N -0.04 -1.06 0.44 4.83 0.00 0.31 -1.11 105.19 108.54 3ks3 n GLY 12 Ca 0.00 -1.70 0.25 0.00 0.00 0.00 0.00 46.02 44.58 3ks3 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ks3 h PRO 13 N 0.00 0.22 0.00 1.61 0.11 -1.85 0.14 132.00 132.23 3ks3 h PRO 13 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ks3 h PRO 13 Cb 0.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3ks3 h PRO 13 CO 0.05 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.38 3ks3 n GLU 14 N -4.42 0.06 -0.00 1.05 -0.58 -1.26 -2.81 120.64 112.67 3ks3 n GLU 14 Ca 0.21 0.24 0.11 0.00 -0.42 0.00 0.00 57.16 57.30 3ks3 n GLU 14 Cb 0.90 -1.61 -0.15 0.00 -0.57 0.00 0.00 31.44 30.02 3ks3 n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ks3 n HIS 15 N -1.72 0.02 0.12 -0.32 8.25 0.47 -4.63 115.22 117.40 3ks3 n HIS 15 Ca 0.04 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.57 3ks3 n HIS 15 Cb 0.24 -0.33 0.53 0.00 1.12 0.00 0.00 29.99 31.55 3ks3 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ks3 h TRP 16 N 0.00 0.26 -0.04 4.41 6.55 -1.48 -2.32 115.95 123.33 3ks3 h TRP 16 Ca 0.00 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.86 3ks3 h TRP 16 Cb 0.82 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 29.03 3ks3 h TRP 16 CO 0.00 0.16 0.06 1.12 -1.05 0.00 0.00 178.44 178.73 3ks3 h HIS 17 N 0.28 0.00 -0.57 0.49 2.07 -1.80 0.23 115.15 115.86 3ks3 h HIS 17 Ca 0.08 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.51 3ks3 h HIS 17 Cb -0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 3ks3 h HIS 17 CO -0.00 0.00 -0.02 0.87 -3.07 0.00 0.00 177.93 175.71 3ks3 h LYS 18 N 0.00 1.02 0.00 5.12 1.57 -1.77 -2.82 116.57 119.69 3ks3 h LYS 18 Ca 0.02 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.32 3ks3 h LYS 18 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3ks3 h LYS 18 CO -0.00 1.02 -1.41 -0.25 -0.57 0.00 0.00 179.45 178.24 3ks3 n ASP 19 N -4.21 0.81 -3.62 0.86 8.00 -0.98 -4.69 116.55 112.72 3ks3 n ASP 19 Ca 0.02 0.35 -0.28 0.00 0.71 0.00 0.00 54.79 55.59 3ks3 n ASP 19 Cb 0.35 0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 41.62 3ks3 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ks3 s PHE 20 N -2.99 2.10 0.25 1.24 0.08 0.03 -4.98 117.98 113.72 3ks3 s PHE 20 Ca -0.03 -2.71 0.34 0.00 0.12 0.00 0.00 56.93 54.66 3ks3 s PHE 20 Cb 0.09 -1.68 1.83 0.00 -0.57 0.00 0.00 43.02 42.68 3ks3 s PHE 20 CO 0.81 -0.72 2.05 -1.00 -0.10 0.00 0.00 175.22 176.27 3ks3 h PRO 21 N 5.68 0.00 0.00 0.24 0.13 -1.75 0.07 132.00 136.37 3ks3 h PRO 21 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3ks3 h PRO 21 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ks3 h PRO 21 CO 0.51 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.79 3ks3 n ILE 22 N -2.73 0.21 0.26 -3.56 0.13 -1.26 -2.09 119.36 110.31 3ks3 n ILE 22 Ca -0.02 0.05 0.11 0.00 -1.10 0.00 0.00 62.75 61.79 3ks3 n ILE 22 Cb 0.08 -0.83 0.71 0.00 -0.84 0.00 0.00 39.64 38.76 3ks3 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ks3 h ALA 23 N 2.79 1.46 -0.59 1.51 0.00 -1.30 -2.69 119.26 120.45 3ks3 h ALA 23 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3ks3 h ALA 23 Cb 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.71 3ks3 h ALA 23 CO 0.00 0.13 0.18 1.63 0.00 0.00 0.00 179.25 181.19 3ks3 n LYS 24 N -3.88 3.21 -0.60 0.00 5.02 -0.89 -4.96 118.16 116.06 3ks3 n LYS 24 Ca -0.02 -3.06 -0.11 0.00 -2.02 0.00 0.00 58.31 53.10 3ks3 n LYS 24 Cb 0.20 -2.08 0.08 0.00 -0.02 0.00 0.00 35.03 33.21 3ks3 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ks3 n GLY 25 N -0.43 -1.74 0.02 0.72 0.00 -1.02 -4.99 105.19 97.76 3ks3 n GLY 25 Ca 0.37 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.90 3ks3 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ks3 n GLU 26 N -2.31 0.11 -2.90 1.61 -0.58 -1.26 -4.34 120.64 110.97 3ks3 n GLU 26 Ca 0.06 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 3ks3 n GLU 26 Cb 0.22 -1.57 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 3ks3 n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ks3 n ARG 27 N -1.73 1.06 -2.97 3.49 1.85 -1.26 -4.55 116.66 112.55 3ks3 n ARG 27 Ca 0.05 -3.04 -0.31 0.00 -1.00 0.00 0.00 57.85 53.55 3ks3 n ARG 27 Cb 0.37 -1.31 -0.04 0.00 -1.05 0.00 0.00 32.46 30.43 3ks3 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ks3 s GLN 28 N -2.16 3.84 0.18 2.89 -1.52 -1.26 -2.80 119.66 118.83 3ks3 s GLN 28 Ca 0.32 0.51 0.08 0.00 -1.95 0.00 0.00 55.36 54.31 3ks3 s GLN 28 Cb 0.39 -2.42 -0.04 0.00 -0.22 0.00 0.00 33.01 30.72 3ks3 s GLN 28 CO -0.03 0.04 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.77 3ks3 s SER 29 N -2.87 2.51 1.06 5.90 0.01 -1.26 -4.65 113.70 114.39 3ks3 s SER 29 Ca 0.52 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.65 3ks3 s SER 29 Cb -0.10 -0.13 0.25 0.00 0.21 0.00 0.00 66.02 66.25 3ks3 s SER 29 CO 0.27 -0.13 1.29 -2.16 0.41 0.00 0.00 173.24 172.92 3ks3 s PRO 30 N -3.29 -0.18 0.11 12.44 0.04 -1.26 -4.55 135.00 138.32 3ks3 s PRO 30 Ca 0.19 -0.44 0.02 0.00 0.04 0.00 0.00 61.00 60.80 3ks3 s PRO 30 Cb -0.03 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 3ks3 s PRO 30 CO 0.06 -2.96 -0.04 0.14 0.04 0.00 0.00 177.00 174.24 3ks3 s VAL 31 N -3.71 0.65 0.10 -0.36 -7.23 -1.26 -0.42 120.40 108.16 3ks3 s VAL 31 Ca 0.76 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3ks3 s VAL 31 Cb -0.04 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 3ks3 s VAL 31 CO 0.54 -0.77 1.03 -0.62 -0.31 0.00 0.00 175.10 174.97 3ks3 s ASP 32 N -3.07 7.36 -0.50 4.85 2.15 -1.26 -3.07 116.67 123.14 3ks3 s ASP 32 Ca 0.15 1.87 -0.17 0.00 0.43 0.00 0.00 52.55 54.83 3ks3 s ASP 32 Cb 0.06 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.16 3ks3 s ASP 32 CO -0.03 -0.19 0.52 -0.63 -0.17 0.00 0.00 175.17 174.68 3ks3 s ILE 33 N 0.26 5.04 -0.58 4.11 1.01 0.45 -4.94 121.20 126.55 3ks3 s ILE 33 Ca 0.50 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 3ks3 s ILE 33 Cb -0.25 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.01 3ks3 s ILE 33 CO 0.31 -0.73 1.18 -0.62 0.00 0.00 0.00 174.94 175.08 3ks3 s ASP 34 N 2.75 6.44 0.38 3.58 -1.08 -1.26 -0.74 116.67 126.73 3ks3 s ASP 34 Ca 0.09 0.08 0.14 0.00 -0.52 0.00 0.00 52.55 52.34 3ks3 s ASP 34 Cb -0.22 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.45 3ks3 s ASP 34 CO 0.09 -1.47 1.83 0.71 0.52 0.00 0.00 175.17 176.85 3ks3 h THR 35 N 6.15 1.21 0.00 1.71 1.35 -1.95 -1.65 112.91 119.73 3ks3 h THR 35 Ca -0.25 -1.26 -0.12 0.00 -0.55 0.00 0.00 66.41 64.23 3ks3 h THR 35 Cb 1.06 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 3ks3 h THR 35 CO 1.18 0.35 -0.57 0.45 -0.25 0.00 0.00 175.52 176.68 3ks3 h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.27 115.15 118.43 3ks3 h HIS 36 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 3ks3 h HIS 36 Cb 0.66 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 3ks3 h HIS 36 CO 0.00 0.57 -1.21 2.41 0.86 0.00 0.00 177.93 180.56 3ks3 n THR 37 N -3.36 0.90 -1.90 2.45 -1.04 -1.01 -4.88 114.28 105.44 3ks3 n THR 37 Ca 0.01 -0.62 -0.40 0.00 -2.04 0.00 0.00 64.05 61.00 3ks3 n THR 37 Cb 0.71 -0.53 -0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3ks3 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ks3 s ALA 38 N -3.15 3.45 -0.11 2.41 0.00 -0.65 -4.89 121.76 118.82 3ks3 s ALA 38 Ca -0.02 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 3ks3 s ALA 38 Cb 0.09 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3ks3 s ALA 38 CO 0.80 -0.96 -0.09 0.21 0.00 0.00 0.00 175.76 175.72 3ks3 s LYS 39 N -2.12 3.17 0.24 0.00 2.20 -0.96 -4.82 119.74 117.44 3ks3 s LYS 39 Ca 0.54 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 55.24 3ks3 s LYS 39 Cb -0.43 -2.66 -0.12 0.00 -1.51 0.00 0.00 37.83 33.11 3ks3 s LYS 39 CO 0.58 0.41 1.67 -0.47 -0.36 0.00 0.00 175.35 177.17 3ks3 s TYR 40 N -0.12 2.86 -0.36 4.03 5.04 -1.26 -0.68 117.35 126.85 3ks3 s TYR 40 Ca 0.01 0.52 0.03 0.00 -2.44 0.00 0.00 57.07 55.19 3ks3 s TYR 40 Cb -0.13 -4.10 0.10 0.00 0.35 0.00 0.00 41.96 38.18 3ks3 s TYR 40 CO 0.03 -4.00 0.08 0.34 -1.34 0.00 0.00 175.55 170.66 3ks3 s ASP 41 N 0.92 4.83 0.07 4.32 -1.08 -0.45 -4.86 116.67 120.42 3ks3 s ASP 41 Ca 0.70 -2.17 0.14 0.00 -0.52 0.00 0.00 52.55 50.70 3ks3 s ASP 41 Cb -0.49 -1.66 0.60 0.00 -1.46 0.00 0.00 42.92 39.91 3ks3 s ASP 41 CO 0.38 -0.40 1.43 -0.81 0.52 0.00 0.00 175.17 176.29 3ks3 n PRO 42 N 4.26 0.05 0.00 4.34 -0.04 -1.26 -1.88 135.00 140.46 3ks3 n PRO 42 Ca 0.03 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 3ks3 n PRO 42 Cb 0.42 -1.60 0.49 0.00 -0.04 0.00 0.00 33.50 32.77 3ks3 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ks3 n SER 43 N -1.69 0.20 -4.76 3.54 3.41 -1.26 -4.85 113.62 108.21 3ks3 n SER 43 Ca 0.02 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.44 3ks3 n SER 43 Cb 0.14 -0.21 0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3ks3 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ks3 s LEU 44 N -2.96 3.64 0.29 1.04 1.43 -0.79 -5.04 118.68 116.29 3ks3 s LEU 44 Ca 0.14 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.62 3ks3 s LEU 44 Cb 0.19 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 3ks3 s LEU 44 CO 0.58 -1.55 0.17 -0.54 0.23 0.00 0.00 176.35 175.25 3ks3 s LYS 45 N -3.43 2.65 0.59 1.70 1.02 -1.19 -4.97 119.74 116.10 3ks3 s LYS 45 Ca 0.75 -1.28 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 3ks3 s LYS 45 Cb -0.28 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3ks3 s LYS 45 CO 0.33 0.26 1.34 -0.35 -0.92 0.00 0.00 175.35 176.00 3ks3 n PRO 46 N -1.17 1.47 -2.04 -1.68 -0.04 -1.26 -2.26 135.00 128.02 3ks3 n PRO 46 Ca -0.05 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.58 3ks3 n PRO 46 Cb 0.59 -2.56 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 3ks3 n PRO 46 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ks3 s LEU 47 N -3.80 4.04 -0.29 1.53 1.43 -1.26 -2.07 118.68 118.25 3ks3 s LEU 47 Ca 0.76 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 3ks3 s LEU 47 Cb -0.40 -4.13 0.06 0.00 0.03 0.00 0.00 46.19 41.75 3ks3 s LEU 47 CO 0.46 -1.09 -0.02 -0.55 0.23 0.00 0.00 176.35 175.38 3ks3 s SER 48 N -1.01 4.76 -0.34 2.29 0.15 -0.49 -4.88 113.70 114.18 3ks3 s SER 48 Ca 0.64 -1.40 -0.08 0.00 0.70 0.00 0.00 55.95 55.81 3ks3 s SER 48 Cb -0.35 -1.66 0.03 0.00 -1.71 0.00 0.00 66.02 62.32 3ks3 s SER 48 CO 0.44 -0.26 0.13 -0.69 1.20 0.00 0.00 173.24 174.06 3ks3 s VAL 49 N 1.18 4.02 -0.53 4.45 1.01 -1.26 -1.15 120.40 128.12 3ks3 s VAL 49 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3ks3 s VAL 49 Cb -0.20 -3.23 0.14 0.00 0.00 0.00 0.00 36.38 33.08 3ks3 s VAL 49 CO -0.03 -0.15 0.29 -0.44 0.00 0.00 0.00 175.10 174.78 3ks3 s SER 50 N 1.46 4.56 0.00 3.32 0.01 -0.08 -4.91 113.70 118.06 3ks3 s SER 50 Ca 0.00 -2.93 0.10 0.00 1.31 0.00 0.00 55.95 54.43 3ks3 s SER 50 Cb -0.19 -1.69 0.17 0.00 0.21 0.00 0.00 66.02 64.52 3ks3 s SER 50 CO 0.04 -0.27 1.02 -1.22 0.41 0.00 0.00 173.24 173.21 3ks3 n TYR 51 N 3.26 0.20 -0.04 2.43 4.01 -1.26 -1.39 117.16 124.37 3ks3 n TYR 51 Ca 0.06 -0.25 0.15 0.00 -0.16 0.00 0.00 57.90 57.70 3ks3 n TYR 51 Cb 0.34 -0.01 0.58 0.00 -0.31 0.00 0.00 39.34 39.93 3ks3 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3ks3 h ASP 52 N 1.87 0.21 -0.57 7.72 2.03 -1.91 -1.83 116.42 123.94 3ks3 h ASP 52 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3ks3 h ASP 52 Cb 0.56 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 3ks3 h ASP 52 CO 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 179.24 178.33 3ks3 n GLN 53 N -4.44 3.70 -1.71 4.15 1.13 -1.21 -5.01 117.38 113.99 3ks3 n GLN 53 Ca 0.10 -2.85 -0.42 0.00 -1.94 0.00 0.00 57.00 51.89 3ks3 n GLN 53 Cb 0.47 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 28.93 3ks3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ks3 n ALA 54 N 0.81 1.50 -3.91 -1.58 0.00 -0.69 -4.63 120.51 112.00 3ks3 n ALA 54 Ca 0.24 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 3ks3 n ALA 54 Cb 0.89 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.90 3ks3 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ks3 s THR 55 N -0.94 2.02 0.53 0.00 2.01 -1.26 -4.93 115.64 113.06 3ks3 s THR 55 Ca 0.57 -2.48 -0.19 0.00 0.31 0.00 0.00 61.69 59.90 3ks3 s THR 55 Cb -0.56 -2.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 3ks3 s THR 55 CO 0.61 -0.70 1.07 -0.94 -0.69 0.00 0.00 174.62 173.96 3ks3 s SER 56 N 0.63 6.03 0.00 3.53 1.04 -1.26 -0.79 113.70 122.88 3ks3 s SER 56 Ca 0.13 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.52 3ks3 s SER 56 Cb -0.21 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3ks3 s SER 56 CO -0.08 -1.00 0.00 0.18 0.98 0.00 0.00 173.24 173.33 3ks3 n LEU 57 N -1.34 1.32 -3.46 2.42 4.77 0.36 -3.98 117.00 117.09 3ks3 n LEU 57 Ca 0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 3ks3 n LEU 57 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3ks3 n LEU 57 CO 0.42 0.18 0.40 -0.60 -1.33 0.00 0.00 177.39 176.46 3ks3 s ARG 58 N -1.91 1.20 -0.05 3.23 3.52 -1.22 -1.32 118.95 122.41 3ks3 s ARG 58 Ca 0.00 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 3ks3 s ARG 58 Cb 0.00 0.56 -0.00 0.00 -1.56 0.00 0.00 34.95 33.94 3ks3 s ARG 58 CO 0.00 -0.48 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.32 3ks3 s ILE 59 N -2.99 1.52 -0.06 4.11 2.07 -0.31 -0.79 121.20 124.75 3ks3 s ILE 59 Ca -0.03 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 3ks3 s ILE 59 Cb -0.01 -1.30 0.02 0.00 0.13 0.00 0.00 42.46 41.30 3ks3 s ILE 59 CO -0.06 0.43 -0.09 -0.22 -1.91 0.00 0.00 174.94 173.09 3ks3 s LEU 60 N 0.05 1.52 -0.45 8.50 2.96 -0.29 -1.01 118.68 129.96 3ks3 s LEU 60 Ca -0.05 -0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3ks3 s LEU 60 Cb -0.12 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.92 3ks3 s LEU 60 CO 0.03 -0.00 0.83 0.21 -1.32 0.00 0.00 176.35 176.10 3ks3 s ASN 61 N 0.76 6.44 -0.00 3.68 3.84 -0.28 -0.76 114.94 128.62 3ks3 s ASN 61 Ca -0.13 -0.04 0.19 0.00 0.21 0.00 0.00 52.86 53.08 3ks3 s ASN 61 Cb -0.15 -2.41 0.55 0.00 -0.55 0.00 0.00 41.25 38.69 3ks3 s ASN 61 CO 0.02 -0.96 1.46 -0.46 -2.79 0.00 0.00 177.10 174.37 3ks3 n ASN 62 N 6.86 3.35 0.00 -4.21 0.23 -0.83 -0.29 115.26 120.38 3ks3 n ASN 62 Ca 0.03 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3ks3 n ASN 62 Cb 0.48 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3ks3 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ks3 n GLY 63 N 1.47 1.69 0.00 4.83 0.00 -1.26 -4.78 105.19 107.14 3ks3 n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3ks3 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ks3 n HIS 64 N -2.00 0.00 -3.30 1.61 8.25 -1.26 -4.71 115.22 113.81 3ks3 n HIS 64 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3ks3 n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ks3 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ks3 n ALA 65 N -1.44 -0.25 -2.62 -1.41 0.00 -1.26 -4.88 120.51 108.65 3ks3 n ALA 65 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 3ks3 n ALA 65 Cb 0.19 0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 3ks3 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ks3 s PHE 66 N -6.83 2.57 -0.16 0.00 -0.71 -1.26 -1.96 117.98 109.62 3ks3 s PHE 66 Ca 0.02 -0.46 -0.04 0.00 -1.04 0.00 0.00 56.93 55.41 3ks3 s PHE 66 Cb -0.00 -1.63 -0.03 0.00 -1.21 0.00 0.00 43.02 40.15 3ks3 s PHE 66 CO 0.01 -0.04 -0.02 -0.80 -1.34 0.00 0.00 175.22 173.03 3ks3 s ASN 67 N -0.37 4.92 -0.34 1.98 0.01 0.06 -4.29 114.94 116.90 3ks3 s ASN 67 Ca 0.03 -0.11 -0.19 0.00 -0.71 0.00 0.00 52.86 51.89 3ks3 s ASN 67 Cb -0.12 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.72 3ks3 s ASN 67 CO 0.02 0.16 0.54 -0.69 -1.51 0.00 0.00 177.10 175.62 3ks3 s VAL 68 N 0.43 4.99 -0.01 1.60 1.01 -0.01 -1.13 120.40 127.28 3ks3 s VAL 68 Ca -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 3ks3 s VAL 68 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3ks3 s VAL 68 CO 0.02 -0.21 0.17 -1.61 0.00 0.00 0.00 175.10 173.47 3ks3 s GLU 69 N 2.46 3.38 0.22 2.72 2.02 0.03 -1.29 118.70 128.23 3ks3 s GLU 69 Ca 0.20 -0.35 0.11 0.00 0.02 0.00 0.00 54.97 54.95 3ks3 s GLU 69 Cb -0.15 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 3ks3 s GLU 69 CO 0.13 0.67 -0.21 -0.06 0.02 0.00 0.00 175.26 175.81 3ks3 s PHE 70 N -1.30 2.19 -0.33 1.61 0.40 -0.34 -0.48 117.98 119.72 3ks3 s PHE 70 Ca 0.27 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.93 3ks3 s PHE 70 Cb -0.13 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 3ks3 s PHE 70 CO 0.18 0.54 1.57 0.34 0.70 0.00 0.00 175.22 178.55 3ks3 s ASP 71 N -2.99 6.23 -0.29 1.36 2.15 0.03 -4.84 116.67 118.32 3ks3 s ASP 71 Ca 0.23 1.19 0.09 0.00 0.43 0.00 0.00 52.55 54.49 3ks3 s ASP 71 Cb -0.06 -2.53 0.51 0.00 -0.30 0.00 0.00 42.92 40.54 3ks3 s ASP 71 CO 0.11 -1.45 1.48 -0.90 -0.17 0.00 0.00 175.17 174.24 3ks3 n ASP 72 N 9.11 2.62 -0.62 -0.34 5.75 -1.26 -4.60 116.55 127.21 3ks3 n ASP 72 Ca 0.19 -3.72 0.13 0.00 -0.01 0.00 0.00 54.79 51.38 3ks3 n ASP 72 Cb 0.47 -0.64 0.40 0.00 -1.03 0.00 0.00 41.12 40.32 3ks3 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3ks3 n SER 73 N -1.08 1.89 -3.89 -1.12 3.41 -1.26 -4.88 113.62 106.69 3ks3 n SER 73 Ca 0.33 -1.67 -0.09 0.00 -0.26 0.00 0.00 58.87 57.18 3ks3 n SER 73 Cb 1.05 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.89 3ks3 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ks3 s GLN 74 N -1.90 1.15 -1.05 4.33 -0.21 -1.26 -5.08 119.66 115.64 3ks3 s GLN 74 Ca 0.35 -1.06 -0.23 0.00 0.02 0.00 0.00 55.36 54.44 3ks3 s GLN 74 Cb 0.20 0.40 -0.03 0.00 1.00 0.00 0.00 33.01 34.58 3ks3 s GLN 74 CO 0.31 -0.43 1.84 -0.51 -2.12 0.00 0.00 175.29 174.37 3ks3 s ASP 75 N -2.93 5.52 -0.16 5.90 1.01 -1.26 -4.64 116.67 120.12 3ks3 s ASP 75 Ca 0.13 -1.30 0.05 0.00 0.71 0.00 0.00 52.55 52.14 3ks3 s ASP 75 Cb 0.03 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 3ks3 s ASP 75 CO -0.03 -2.47 -0.10 0.29 0.21 0.00 0.00 175.17 173.08 3ks3 n LYS 76 N 8.64 0.83 -3.62 8.23 5.02 -1.26 -4.93 118.16 131.07 3ks3 n LYS 76 Ca 0.41 0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 56.50 3ks3 n LYS 76 Cb 0.47 -1.35 -0.17 0.00 -0.02 0.00 0.00 35.03 33.97 3ks3 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ks3 s ALA 77 N -2.35 0.56 0.07 7.82 0.00 -1.26 -3.03 121.76 123.57 3ks3 s ALA 77 Ca -0.19 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3ks3 s ALA 77 Cb 0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 3ks3 s ALA 77 CO 0.45 -1.27 -0.11 0.14 0.00 0.00 0.00 175.76 174.98 3ks3 s VAL 78 N 2.09 0.86 -0.11 0.00 -7.23 -0.48 -0.64 120.40 114.88 3ks3 s VAL 78 Ca 0.03 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3ks3 s VAL 78 Cb -0.16 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 3ks3 s VAL 78 CO -0.14 -0.40 -0.15 -0.22 -0.31 0.00 0.00 175.10 173.87 3ks3 s LEU 79 N -1.96 2.61 0.27 1.32 2.96 0.23 -0.90 118.68 123.22 3ks3 s LEU 79 Ca -0.02 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 3ks3 s LEU 79 Cb -0.07 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3ks3 s LEU 79 CO 0.01 0.19 0.23 -0.54 -1.32 0.00 0.00 176.35 174.91 3ks3 s LYS 80 N 0.21 1.53 2.33 1.98 1.02 -0.30 -1.53 119.74 124.97 3ks3 s LYS 80 Ca -0.09 -1.84 0.00 0.00 0.02 0.00 0.00 55.97 54.06 3ks3 s LYS 80 Cb -0.16 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 3ks3 s LYS 80 CO 0.06 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 3ks3 n GLY 81 N -0.47 -0.61 7.00 -3.33 0.00 -1.26 -1.40 105.19 105.12 3ks3 n GLY 81 Ca 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3ks3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks3 n GLY 82 N 0.00 3.59 0.05 -0.02 0.00 -0.88 -0.91 105.19 107.02 3ks3 n GLY 82 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.09 3ks3 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ks3 n PRO 83 N 14.00 0.60 -3.15 1.61 -0.04 -1.26 -3.20 135.00 143.55 3ks3 n PRO 83 Ca 0.00 -0.10 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 3ks3 n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3ks3 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ks3 s LEU 84 N -2.47 4.43 -0.22 1.53 1.43 -0.09 -5.06 118.68 118.24 3ks3 s LEU 84 Ca 0.31 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 3ks3 s LEU 84 Cb 0.20 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3ks3 s LEU 84 CO 0.46 0.13 0.07 -1.81 0.23 0.00 0.00 176.35 175.43 3ks3 s ASP 85 N -1.44 5.42 0.00 2.29 1.01 -1.26 -4.23 116.67 118.45 3ks3 s ASP 85 Ca 0.38 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.58 3ks3 s ASP 85 Cb -0.18 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.79 3ks3 s ASP 85 CO 0.21 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.26 3ks3 n GLY 86 N 4.29 -1.68 3.24 0.21 0.00 -1.26 -4.95 105.19 105.03 3ks3 n GLY 86 Ca -0.16 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 3ks3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ks3 s THR 87 N 0.00 2.03 -0.12 2.61 2.01 -1.26 -4.51 115.64 116.39 3ks3 s THR 87 Ca 0.00 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.00 3ks3 s THR 87 Cb 0.00 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.78 3ks3 s THR 87 CO 0.00 0.56 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.98 3ks3 s TYR 88 N 0.12 2.43 -0.13 4.92 1.51 -0.58 -1.35 117.35 124.26 3ks3 s TYR 88 Ca -0.12 -1.16 -0.13 0.00 -1.01 0.00 0.00 57.07 54.64 3ks3 s TYR 88 Cb -0.16 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 3ks3 s TYR 88 CO 0.06 -0.54 0.29 1.03 -1.11 0.00 0.00 175.55 175.29 3ks3 s ARG 89 N 0.79 4.11 0.08 -0.62 0.52 0.14 -0.60 118.95 123.37 3ks3 s ARG 89 Ca -0.09 0.12 -0.31 0.00 -0.52 0.00 0.00 55.73 54.93 3ks3 s ARG 89 Cb -0.16 -3.37 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 3ks3 s ARG 89 CO -0.00 0.37 1.55 -1.17 0.02 0.00 0.00 175.30 176.07 3ks3 s LEU 90 N 0.06 4.36 -0.14 2.53 2.96 0.19 -1.20 118.68 127.43 3ks3 s LEU 90 Ca 0.17 2.41 0.01 0.00 -0.22 0.00 0.00 54.13 56.51 3ks3 s LEU 90 Cb -0.13 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 3ks3 s LEU 90 CO 0.05 -0.81 -0.12 0.00 -1.32 0.00 0.00 176.35 174.15 3ks3 n ILE 91 N 4.46 0.81 -3.48 6.68 3.06 -0.28 -4.48 119.36 126.13 3ks3 n ILE 91 Ca 0.14 -0.31 -0.10 0.00 -2.50 0.00 0.00 62.75 59.98 3ks3 n ILE 91 Cb 0.41 -0.99 -0.02 0.00 0.54 0.00 0.00 39.64 39.58 3ks3 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ks3 s GLN 92 N -2.28 1.08 0.18 9.51 1.03 -1.22 -1.19 119.66 126.76 3ks3 s GLN 92 Ca -0.19 -0.41 0.07 0.00 0.04 0.00 0.00 55.36 54.88 3ks3 s GLN 92 Cb 0.05 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.53 3ks3 s GLN 92 CO 0.33 -0.47 -0.15 -0.59 -2.54 0.00 0.00 175.29 171.87 3ks3 s PHE 93 N -3.45 1.67 0.32 9.60 -0.12 -0.41 -0.83 117.98 124.76 3ks3 s PHE 93 Ca 0.03 -0.55 -0.14 0.00 -0.05 0.00 0.00 56.93 56.22 3ks3 s PHE 93 Cb -0.01 -0.80 0.02 0.00 -0.63 0.00 0.00 43.02 41.60 3ks3 s PHE 93 CO -0.10 0.31 0.65 -3.38 -0.05 0.00 0.00 175.22 172.64 3ks3 s HIS 94 N -2.64 0.23 0.24 3.49 -3.43 -0.75 -0.83 115.29 111.61 3ks3 s HIS 94 Ca 0.18 -0.71 0.07 0.00 -0.80 0.00 0.00 55.06 53.81 3ks3 s HIS 94 Cb -0.02 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.58 3ks3 s HIS 94 CO 0.06 -1.28 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.37 3ks3 s PHE 95 N -3.29 1.79 -0.02 0.38 0.40 -1.26 -0.61 117.98 115.38 3ks3 s PHE 95 Ca 0.18 -0.66 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 3ks3 s PHE 95 Cb -0.04 -0.94 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 3ks3 s PHE 95 CO 0.11 0.29 -0.21 -1.01 0.70 0.00 0.00 175.22 175.10 3ks3 s HIS 96 N -3.03 1.89 0.23 0.36 3.76 -0.13 -4.75 115.29 113.62 3ks3 s HIS 96 Ca 0.26 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.66 3ks3 s HIS 96 Cb 0.02 -1.23 -0.00 0.00 1.11 0.00 0.00 32.58 32.48 3ks3 s HIS 96 CO 0.09 -0.06 0.44 1.67 -0.85 0.00 0.00 174.74 176.03 3ks3 s TRP 97 N -0.42 0.35 0.49 1.40 -2.14 -1.22 -0.98 118.94 116.42 3ks3 s TRP 97 Ca 0.06 -0.70 0.08 0.00 2.66 0.00 0.00 56.10 58.20 3ks3 s TRP 97 Cb -0.09 0.14 0.03 0.00 -3.10 0.00 0.00 33.47 30.45 3ks3 s TRP 97 CO -0.00 -0.93 0.54 0.20 -2.66 0.00 0.00 176.95 174.10 3ks3 s GLY 98 N -3.00 2.04 0.28 3.67 0.00 -1.16 -0.86 107.32 108.29 3ks3 s GLY 98 Ca 0.21 -1.78 0.24 0.00 0.00 0.00 0.00 44.72 43.39 3ks3 s GLY 98 CO 0.06 -1.71 1.56 1.48 0.00 0.00 0.00 173.10 174.49 3ks3 h SER 99 N 0.65 0.00 -4.90 1.64 4.64 -1.89 -3.38 113.55 110.31 3ks3 h SER 99 Ca -0.37 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 60.72 3ks3 h SER 99 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 3ks3 h SER 99 CO 0.50 0.02 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.01 3ks3 s LEU 100 N -5.22 2.36 0.56 5.97 1.43 -1.26 -5.06 118.68 117.46 3ks3 s LEU 100 Ca 0.07 -0.73 0.34 0.00 -1.03 0.00 0.00 54.13 52.77 3ks3 s LEU 100 Cb 0.09 0.01 1.61 0.00 0.03 0.00 0.00 46.19 47.93 3ks3 s LEU 100 CO 0.67 -0.38 2.09 0.44 0.23 0.00 0.00 176.35 179.40 3ks3 h ASP 101 N 3.91 0.00 -0.00 2.29 3.32 -1.92 -2.76 116.42 121.26 3ks3 h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3ks3 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3ks3 h ASP 101 CO 0.52 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 3ks3 n GLY 102 N -0.43 -0.99 3.45 2.75 0.00 -1.26 -3.50 105.19 105.21 3ks3 n GLY 102 Ca -0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3ks3 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ks3 s GLN 103 N -2.00 1.29 0.00 1.61 -2.07 -1.04 -4.71 119.66 112.74 3ks3 s GLN 103 Ca 0.21 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 3ks3 s GLN 103 Cb 0.10 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 3ks3 s GLN 103 CO 0.16 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 3ks3 n GLY 104 N -0.29 1.83 3.81 2.60 0.00 -1.01 -3.18 105.19 108.94 3ks3 n GLY 104 Ca -0.10 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3ks3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks3 s SER 105 N 0.00 5.46 -0.13 1.61 1.04 -0.43 -3.37 113.70 117.88 3ks3 s SER 105 Ca 0.00 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 3ks3 s SER 105 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 3ks3 s SER 105 CO 0.00 -1.39 -0.20 -0.62 0.98 0.00 0.00 173.24 172.02 3ks3 n GLU 106 N -2.80 0.40 -1.83 4.02 1.02 -1.26 -4.85 120.64 115.34 3ks3 n GLU 106 Ca 0.08 0.39 -0.36 0.00 -0.02 0.00 0.00 57.16 57.26 3ks3 n GLU 106 Cb 0.53 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.53 3ks3 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ks3 s HIS 107 N -2.23 2.28 0.20 -0.32 3.76 -1.26 -4.18 115.29 113.54 3ks3 s HIS 107 Ca -0.16 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 56.36 3ks3 s HIS 107 Cb 0.02 -3.50 -0.05 0.00 1.11 0.00 0.00 32.58 30.17 3ks3 s HIS 107 CO 0.24 -2.39 -0.15 0.95 -0.85 0.00 0.00 174.74 172.54 3ks3 s THR 108 N -1.68 1.77 -0.24 1.30 -4.23 -1.17 -4.69 115.64 106.70 3ks3 s THR 108 Ca 0.77 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 3ks3 s THR 108 Cb -0.31 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 71.57 3ks3 s THR 108 CO 0.37 -0.55 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.15 3ks3 s VAL 109 N -2.82 1.61 -1.53 2.29 1.01 -0.76 -0.41 120.40 119.79 3ks3 s VAL 109 Ca 0.22 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 3ks3 s VAL 109 Cb -0.02 -1.86 0.08 0.00 0.00 0.00 0.00 36.38 34.59 3ks3 s VAL 109 CO 0.07 -0.09 0.88 0.47 0.00 0.00 0.00 175.10 176.43 3ks3 n ASP 110 N 4.64 -3.85 0.00 3.32 8.00 0.08 -0.81 116.55 127.93 3ks3 n ASP 110 Ca -0.12 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.54 3ks3 n ASP 110 Cb 0.44 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 3ks3 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ks3 n LYS 111 N -4.57 0.00 -2.32 -1.24 4.76 -1.26 -5.00 118.16 108.53 3ks3 n LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 3ks3 n LYS 111 Cb 0.55 -2.77 -0.03 0.00 -1.84 0.00 0.00 35.03 30.94 3ks3 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ks3 s LYS 112 N -0.18 4.38 -0.15 1.97 2.20 0.01 -4.99 119.74 122.98 3ks3 s LYS 112 Ca 0.00 1.89 -0.12 0.00 -0.36 0.00 0.00 55.97 57.38 3ks3 s LYS 112 Cb 0.00 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 3ks3 s LYS 112 CO 0.00 -0.35 0.24 0.15 -0.36 0.00 0.00 175.35 175.03 3ks3 s LYS 113 N 1.19 4.11 0.61 4.03 1.02 -1.26 -1.83 119.74 127.62 3ks3 s LYS 113 Ca 0.61 0.01 -0.02 0.00 0.02 0.00 0.00 55.97 56.59 3ks3 s LYS 113 Cb -0.32 -3.38 0.04 0.00 -0.52 0.00 0.00 37.83 33.65 3ks3 s LYS 113 CO 0.29 0.35 0.87 0.71 -0.92 0.00 0.00 175.35 176.66 3ks3 s TYR 114 N 0.14 2.90 0.31 3.18 2.02 -1.26 -4.63 117.35 120.01 3ks3 s TYR 114 Ca 0.15 0.19 0.18 0.00 -0.37 0.00 0.00 57.07 57.22 3ks3 s TYR 114 Cb -0.13 -2.92 0.86 0.00 -0.40 0.00 0.00 41.96 39.38 3ks3 s TYR 114 CO 0.03 -1.07 1.84 0.00 -1.57 0.00 0.00 175.55 174.79 3ks3 h ALA 115 N -0.19 1.21 -2.54 3.71 0.00 -1.42 -1.05 119.26 118.98 3ks3 h ALA 115 Ca -0.43 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.33 3ks3 h ALA 115 Cb 1.30 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3ks3 h ALA 115 CO 0.56 0.40 0.43 0.00 0.00 0.00 0.00 179.25 180.64 3ks3 s ALA 116 N -3.97 -1.50 -0.11 0.00 0.00 -1.12 -2.98 121.76 112.09 3ks3 s ALA 116 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3ks3 s ALA 116 Cb 0.13 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.99 3ks3 s ALA 116 CO 0.68 -1.04 0.25 -2.00 0.00 0.00 0.00 175.76 173.65 3ks3 s GLU 117 N -3.23 0.22 -0.13 0.00 2.12 -0.16 -1.18 118.70 116.34 3ks3 s GLU 117 Ca 0.13 0.52 -0.13 0.00 0.36 0.00 0.00 54.97 55.85 3ks3 s GLU 117 Cb -0.03 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3ks3 s GLU 117 CO 0.04 -0.15 0.29 -1.17 -0.54 0.00 0.00 175.26 173.73 3ks3 s LEU 118 N 1.18 4.29 -0.24 2.70 2.96 0.41 -0.95 118.68 129.04 3ks3 s LEU 118 Ca -0.09 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3ks3 s LEU 118 Cb -0.10 -2.37 0.04 0.00 0.50 0.00 0.00 46.19 44.26 3ks3 s LEU 118 CO -0.08 0.17 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.01 3ks3 s HIS 119 N 0.07 3.08 -0.37 5.38 3.76 0.22 -0.96 115.29 126.48 3ks3 s HIS 119 Ca 0.17 -1.88 -0.15 0.00 -0.15 0.00 0.00 55.06 53.05 3ks3 s HIS 119 Cb -0.13 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 3ks3 s HIS 119 CO 0.05 -0.81 0.32 -0.51 -0.85 0.00 0.00 174.74 172.94 3ks3 s LEU 120 N 1.23 4.67 -0.21 0.89 1.43 -0.21 -1.81 118.68 124.67 3ks3 s LEU 120 Ca -0.02 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 3ks3 s LEU 120 Cb -0.17 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 3ks3 s LEU 120 CO -0.07 -0.36 0.12 -0.69 0.23 0.00 0.00 176.35 175.59 3ks3 s VAL 121 N 1.86 5.20 0.04 -1.59 1.01 -0.01 -1.33 120.40 125.59 3ks3 s VAL 121 Ca 0.08 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3ks3 s VAL 121 Cb -0.17 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3ks3 s VAL 121 CO 0.11 0.40 -0.13 -1.00 0.00 0.00 0.00 175.10 174.49 3ks3 s HIS 122 N 0.69 1.10 0.10 5.22 3.76 -0.36 -1.12 115.29 124.68 3ks3 s HIS 122 Ca 0.07 -0.37 0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3ks3 s HIS 122 Cb -0.12 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.88 3ks3 s HIS 122 CO 0.01 0.02 -0.24 1.67 -0.85 0.00 0.00 174.74 175.35 3ks3 s TRP 123 N -0.93 2.38 -0.19 1.40 1.48 -0.34 -0.85 118.94 121.89 3ks3 s TRP 123 Ca -0.00 -0.35 -0.29 0.00 -1.06 0.00 0.00 56.10 54.39 3ks3 s TRP 123 Cb -0.08 -1.32 -0.02 0.00 -1.16 0.00 0.00 33.47 30.89 3ks3 s TRP 123 CO 0.01 0.30 1.35 1.21 -4.06 0.00 0.00 176.95 175.76 3ks3 s ASN 124 N -1.85 6.80 0.52 -2.66 3.84 0.41 -0.68 114.94 121.32 3ks3 s ASN 124 Ca 0.14 1.65 0.35 0.00 0.21 0.00 0.00 52.86 55.21 3ks3 s ASN 124 Cb -0.10 -2.54 1.70 0.00 -0.55 0.00 0.00 41.25 39.76 3ks3 s ASN 124 CO 0.06 -0.90 2.05 0.71 -2.79 0.00 0.00 177.10 176.23 3ks3 h THR 125 N 5.67 0.00 0.00 -5.21 1.35 -1.56 -1.80 112.91 111.36 3ks3 h THR 125 Ca -0.29 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3ks3 h THR 125 Cb 1.12 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3ks3 h THR 125 CO 0.98 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.32 3ks3 h LYS 127 N 0.00 0.00 -0.03 4.72 2.10 -1.90 -2.41 116.57 119.04 3ks3 h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ks3 h LYS 127 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3ks3 h LYS 127 CO 0.00 0.00 -0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3ks3 n TYR 128 N -2.35 0.00 0.00 0.07 4.01 -0.67 -5.00 117.16 113.21 3ks3 n TYR 128 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ks3 n TYR 128 Cb 0.15 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3ks3 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ks3 n GLY 129 N 1.35 1.91 1.80 2.72 0.00 -0.91 -4.51 105.19 107.54 3ks3 n GLY 129 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3ks3 n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ks3 n ASP 130 N 1.40 -1.04 -0.04 1.61 3.85 -1.26 -5.06 116.55 116.01 3ks3 n ASP 130 Ca 0.00 -1.69 -0.15 0.00 -0.71 0.00 0.00 54.79 52.24 3ks3 n ASP 130 Cb 0.00 1.72 -0.08 0.00 -1.35 0.00 0.00 41.12 41.42 3ks3 n ASP 130 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3ks3 h PHE 131 N 1.47 0.68 -0.53 2.11 3.57 -1.95 -2.17 116.94 120.13 3ks3 h PHE 131 Ca -0.15 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 3ks3 h PHE 131 Cb 0.58 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3ks3 h PHE 131 CO 0.00 1.04 0.30 0.78 -2.23 0.00 0.00 178.31 178.20 3ks3 h GLY 132 N 0.13 0.76 1.32 2.40 0.00 -1.97 -1.45 103.07 104.26 3ks3 h GLY 132 Ca -0.02 -0.32 -0.25 0.00 0.00 0.00 0.00 47.33 46.75 3ks3 h GLY 132 CO 0.09 0.31 -0.98 1.70 0.00 0.00 0.00 176.54 177.66 3ks3 h LYS 133 N 0.72 0.62 -0.89 4.80 1.63 -1.83 -3.32 116.57 118.30 3ks3 h LYS 133 Ca 0.19 -0.64 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3ks3 h LYS 133 Cb 0.00 0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 3ks3 h LYS 133 CO -0.03 1.24 0.55 0.00 -3.45 0.00 0.00 179.45 177.77 3ks3 h ALA 134 N 0.54 1.30 0.00 5.00 0.00 -0.68 -2.25 119.26 123.17 3ks3 h ALA 134 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ks3 h ALA 134 Cb 1.62 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ks3 h ALA 134 CO 0.19 0.61 0.00 1.33 0.00 0.00 0.00 179.25 181.38 3ks3 n VAL 135 N -4.38 1.12 1.10 0.00 0.24 -0.62 -1.56 118.33 114.24 3ks3 n VAL 135 Ca 0.10 0.31 0.08 0.00 -2.04 0.00 0.00 64.34 62.80 3ks3 n VAL 135 Cb 0.05 -1.16 0.28 0.00 -1.47 0.00 0.00 33.84 31.54 3ks3 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ks3 n GLN 136 N -1.71 1.75 -4.59 7.34 1.13 -0.85 -4.67 117.38 115.78 3ks3 n GLN 136 Ca 0.02 -1.14 -0.29 0.00 -1.94 0.00 0.00 57.00 53.66 3ks3 n GLN 136 Cb 0.15 -1.34 -0.14 0.00 0.11 0.00 0.00 30.24 29.02 3ks3 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ks3 s GLN 137 N -1.68 1.52 0.51 -1.09 -1.52 -0.60 -5.04 119.66 111.76 3ks3 s GLN 137 Ca 0.28 -1.20 0.29 0.00 -1.95 0.00 0.00 55.36 52.78 3ks3 s GLN 137 Cb 0.15 -1.83 1.29 0.00 -0.22 0.00 0.00 33.01 32.39 3ks3 s GLN 137 CO 0.22 0.45 1.97 -1.00 -0.25 0.00 0.00 175.29 176.68 3ks3 h PRO 138 N 4.34 0.00 -0.57 2.91 0.13 -1.86 -2.25 132.00 134.70 3ks3 h PRO 138 Ca -0.48 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.25 3ks3 h PRO 138 Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 3ks3 h PRO 138 CO 0.41 0.12 -0.46 -0.40 -0.23 0.00 0.00 178.00 177.44 3ks3 n ASP 139 N -3.35 4.19 0.09 1.44 5.75 -1.26 -4.10 116.55 119.31 3ks3 n ASP 139 Ca -0.00 -3.79 -0.15 0.00 -0.01 0.00 0.00 54.79 50.83 3ks3 n ASP 139 Cb 0.32 -0.49 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 3ks3 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3ks3 h GLY 140 N 1.74 0.41 -3.40 6.12 0.00 -1.08 -3.43 103.07 103.42 3ks3 h GLY 140 Ca 0.30 -0.86 -0.59 0.00 0.00 0.00 0.00 47.33 46.18 3ks3 h GLY 140 CO 0.64 0.76 -0.81 1.08 0.00 0.00 0.00 176.54 178.21 3ks3 s LEU 141 N -7.48 2.41 -0.10 3.11 1.43 -0.01 -0.44 118.68 117.59 3ks3 s LEU 141 Ca -0.05 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3ks3 s LEU 141 Cb 0.08 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.33 3ks3 s LEU 141 CO 0.88 0.05 -0.10 0.00 0.23 0.00 0.00 176.35 177.41 3ks3 s ALA 142 N -1.73 1.41 -0.19 4.21 0.00 -0.03 -0.79 121.76 124.64 3ks3 s ALA 142 Ca 0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3ks3 s ALA 142 Cb -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.22 3ks3 s ALA 142 CO 0.08 -0.24 -0.12 0.08 0.00 0.00 0.00 175.76 175.56 3ks3 s VAL 143 N 1.33 2.84 -0.32 0.00 1.01 -0.85 -1.23 120.40 123.18 3ks3 s VAL 143 Ca -0.01 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 3ks3 s VAL 143 Cb -0.14 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 3ks3 s VAL 143 CO -0.05 0.48 0.64 -0.22 0.00 0.00 0.00 175.10 175.96 3ks3 s LEU 144 N 1.17 4.17 -0.13 3.92 2.96 -0.44 -1.25 118.68 129.07 3ks3 s LEU 144 Ca 0.01 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3ks3 s LEU 144 Cb -0.14 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 3ks3 s LEU 144 CO -0.04 -0.53 0.03 -0.83 -1.32 0.00 0.00 176.35 173.66 3ks3 s GLY 145 N 1.69 1.88 -0.06 7.98 0.00 0.30 -1.04 107.32 118.07 3ks3 s GLY 145 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3ks3 s GLY 145 CO 0.13 -0.27 -0.03 -0.42 0.00 0.00 0.00 173.10 172.51 3ks3 s ILE 146 N -0.29 0.54 0.40 0.90 1.01 -0.13 -0.84 121.20 122.80 3ks3 s ILE 146 Ca 0.07 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 3ks3 s ILE 146 Cb -0.12 -0.61 -0.10 0.00 0.01 0.00 0.00 42.46 41.63 3ks3 s ILE 146 CO 0.02 0.26 0.97 -0.36 0.00 0.00 0.00 174.94 175.83 3ks3 s PHE 147 N 1.37 3.36 -0.12 3.97 0.08 -1.26 -0.44 117.98 124.94 3ks3 s PHE 147 Ca -0.04 1.66 0.01 0.00 0.12 0.00 0.00 56.93 58.68 3ks3 s PHE 147 Cb -0.13 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.37 3ks3 s PHE 147 CO -0.03 -0.20 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.22 3ks3 s LEU 148 N -2.85 2.48 0.22 -0.37 1.02 -0.32 -0.80 118.68 118.06 3ks3 s LEU 148 Ca 0.59 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 54.43 3ks3 s LEU 148 Cb -0.14 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3ks3 s LEU 148 CO 0.19 0.16 -0.12 -1.59 0.02 0.00 0.00 176.35 175.01 3ks3 s LYS 149 N 0.35 1.95 -0.19 1.70 -2.85 -0.35 -1.93 119.74 118.41 3ks3 s LYS 149 Ca -0.14 -1.45 -0.19 0.00 -1.00 0.00 0.00 55.97 53.19 3ks3 s LYS 149 Cb -0.17 -2.03 -0.03 0.00 -2.06 0.00 0.00 37.83 33.54 3ks3 s LYS 149 CO 0.07 0.39 0.56 0.08 0.10 0.00 0.00 175.35 176.55 3ks3 s VAL 150 N -2.00 5.08 0.00 1.79 1.01 -1.26 -0.88 120.40 124.14 3ks3 s VAL 150 Ca 0.27 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3ks3 s VAL 150 Cb -0.07 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3ks3 s VAL 150 CO 0.15 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3ks3 n GLY 151 N 3.80 0.61 3.80 4.51 0.00 0.67 -4.90 105.19 113.68 3ks3 n GLY 151 Ca -0.03 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 3ks3 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks3 s SER 152 N 2.00 6.46 0.63 1.61 1.04 -1.26 -4.03 113.70 120.15 3ks3 s SER 152 Ca 0.00 1.90 -0.18 0.00 0.48 0.00 0.00 55.95 58.15 3ks3 s SER 152 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 3ks3 s SER 152 CO 0.00 -0.70 1.27 0.00 0.98 0.00 0.00 173.24 174.79 3ks3 s ALA 153 N -1.99 2.44 -0.47 5.32 0.00 -1.26 -2.52 121.76 123.28 3ks3 s ALA 153 Ca 0.66 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 53.61 3ks3 s ALA 153 Cb -0.16 -3.52 0.06 0.00 0.00 0.00 0.00 23.12 19.50 3ks3 s ALA 153 CO 0.19 -1.46 0.43 0.21 0.00 0.00 0.00 175.76 175.14 3ks3 s LYS 154 N -3.36 3.01 0.32 0.00 2.47 -1.16 -4.79 119.74 116.24 3ks3 s LYS 154 Ca 0.81 -1.18 0.01 0.00 -1.56 0.00 0.00 55.97 54.05 3ks3 s LYS 154 Cb -0.35 -4.10 0.57 0.00 -1.46 0.00 0.00 37.83 32.49 3ks3 s LYS 154 CO 0.38 -1.02 1.96 -1.35 0.16 0.00 0.00 175.35 175.48 3ks3 h PRO 155 N 8.79 0.94 0.00 4.03 0.11 -1.90 -1.61 132.00 142.36 3ks3 h PRO 155 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ks3 h PRO 155 Cb 1.11 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3ks3 h PRO 155 CO 0.87 0.62 0.00 0.41 -0.21 0.00 0.00 178.00 179.69 3ks3 n GLY 156 N -1.42 -0.99 0.10 -0.55 0.00 -1.26 -2.04 105.19 99.03 3ks3 n GLY 156 Ca 0.10 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3ks3 n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ks3 h LEU 157 N 0.00 0.00 -1.16 0.99 5.85 -1.51 -3.41 115.31 116.07 3ks3 h LEU 157 Ca 0.00 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3ks3 h LEU 157 Cb 0.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3ks3 h LEU 157 CO 0.00 0.04 0.20 -0.61 -0.34 0.00 0.00 178.44 177.73 3ks3 h GLN 158 N 0.00 0.79 -0.46 1.25 5.75 -1.45 -1.24 115.11 119.75 3ks3 h GLN 158 Ca 0.00 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3ks3 h GLN 158 Cb 0.92 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 3ks3 h GLN 158 CO 0.00 0.66 0.26 0.87 -2.65 0.00 0.00 178.83 177.97 3ks3 h LYS 159 N 0.78 0.63 0.13 1.69 1.57 -1.79 -0.58 116.57 118.99 3ks3 h LYS 159 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3ks3 h LYS 159 Cb 0.18 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ks3 h LYS 159 CO -0.01 0.46 -0.06 0.28 -0.57 0.00 0.00 179.45 179.54 3ks3 h VAL 160 N 0.64 1.00 -0.85 0.50 2.07 -1.54 -3.15 116.25 114.92 3ks3 h VAL 160 Ca 0.17 -0.55 0.12 0.00 0.82 0.00 0.00 66.70 67.26 3ks3 h VAL 160 Cb 0.01 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3ks3 h VAL 160 CO -0.03 0.13 0.47 0.58 0.02 0.00 0.00 177.57 178.75 3ks3 h VAL 161 N -0.43 0.82 0.00 2.57 2.07 -0.78 -2.44 116.25 118.06 3ks3 h VAL 161 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3ks3 h VAL 161 Cb 0.35 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3ks3 h VAL 161 CO 0.03 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.22 3ks3 n ASP 162 N -4.79 0.71 0.01 0.57 8.00 -0.29 -2.43 116.55 118.33 3ks3 n ASP 162 Ca 0.16 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.38 3ks3 n ASP 162 Cb 0.36 -0.78 0.24 0.00 -0.02 0.00 0.00 41.12 40.92 3ks3 n ASP 162 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ks3 n VAL 163 N -2.21 0.03 0.18 2.53 3.14 -0.92 -4.39 118.33 116.69 3ks3 n VAL 163 Ca 0.04 -0.03 0.05 0.00 -2.96 0.00 0.00 64.34 61.45 3ks3 n VAL 163 Cb 0.35 0.21 0.51 0.00 -1.06 0.00 0.00 33.84 33.84 3ks3 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ks3 h LEU 164 N 0.00 0.11 -2.23 6.55 3.38 -1.45 -1.08 115.31 120.60 3ks3 h LEU 164 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ks3 h LEU 164 Cb 0.53 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ks3 h LEU 164 CO 0.00 0.20 0.11 0.44 0.09 0.00 0.00 178.44 179.28 3ks3 h ASP 165 N 0.13 0.00 0.49 -0.43 3.32 -1.79 -1.78 116.42 116.36 3ks3 h ASP 165 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ks3 h ASP 165 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3ks3 h ASP 165 CO 0.01 0.00 -0.29 -1.54 -1.72 0.00 0.00 179.24 175.70 3ks3 n SER 166 N -4.04 0.53 -2.45 6.45 3.41 -0.41 -3.97 113.62 113.15 3ks3 n SER 166 Ca -0.00 -0.34 -0.16 0.00 -0.26 0.00 0.00 58.87 58.11 3ks3 n SER 166 Cb 0.23 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3ks3 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ks3 n ILE 167 N -1.21 1.90 -0.29 -1.33 -5.35 -0.68 -4.75 119.36 107.66 3ks3 n ILE 167 Ca 0.09 -3.83 -0.01 0.00 -0.27 0.00 0.00 62.75 58.73 3ks3 n ILE 167 Cb 0.33 -0.21 0.18 0.00 -1.74 0.00 0.00 39.64 38.20 3ks3 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ks3 h LYS 168 N 2.52 1.15 -6.31 6.28 3.64 -1.66 -3.42 116.57 118.77 3ks3 h LYS 168 Ca 0.14 -0.07 -0.60 0.00 -1.27 0.00 0.00 60.65 58.85 3ks3 h LYS 168 Cb 1.27 -0.26 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 3ks3 h LYS 168 CO 0.58 0.76 -0.71 0.95 -2.27 0.00 0.00 179.45 178.76 3ks3 s THR 169 N -5.96 3.02 0.12 1.00 -4.23 -1.26 -0.46 115.64 107.87 3ks3 s THR 169 Ca -0.12 -1.99 -0.35 0.00 -1.18 0.00 0.00 61.69 58.05 3ks3 s THR 169 Cb 0.18 -2.56 -0.15 0.00 1.34 0.00 0.00 72.50 71.30 3ks3 s THR 169 CO 0.80 -0.29 1.46 1.17 -0.54 0.00 0.00 174.62 177.23 3ks3 n LYS 170 N -0.47 1.65 0.00 3.99 4.81 -0.24 -2.05 118.16 125.85 3ks3 n LYS 170 Ca -0.08 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 3ks3 n LYS 170 Cb 0.58 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3ks3 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ks3 n GLY 171 N 2.99 0.85 3.76 3.14 0.00 0.60 -4.54 105.19 111.99 3ks3 n GLY 171 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3ks3 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ks3 s LYS 172 N -0.72 4.67 0.20 1.61 1.02 -0.87 -4.91 119.74 120.75 3ks3 s LYS 172 Ca 0.00 1.29 0.04 0.00 0.02 0.00 0.00 55.97 57.32 3ks3 s LYS 172 Cb 0.00 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3ks3 s LYS 172 CO 0.00 0.49 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.33 3ks3 s SER 173 N -0.94 1.85 -0.01 2.83 1.04 -1.26 -1.12 113.70 116.09 3ks3 s SER 173 Ca 0.39 -1.13 -0.09 0.00 0.48 0.00 0.00 55.95 55.60 3ks3 s SER 173 Cb -0.24 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.88 3ks3 s SER 173 CO 0.28 -0.42 0.18 0.00 0.98 0.00 0.00 173.24 174.26 3ks3 s ALA 174 N -3.36 -0.45 0.36 5.32 0.00 -0.18 -4.92 121.76 118.53 3ks3 s ALA 174 Ca 0.23 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 3ks3 s ALA 174 Cb 0.04 0.06 -0.12 0.00 0.00 0.00 0.00 23.12 23.10 3ks3 s ALA 174 CO 0.05 -0.21 1.30 -0.25 0.00 0.00 0.00 175.76 176.66 3ks3 n ASP 175 N 1.56 2.82 -2.91 0.00 8.00 -1.26 -1.17 116.55 123.58 3ks3 n ASP 175 Ca -0.21 1.19 -0.14 0.00 0.71 0.00 0.00 54.79 56.34 3ks3 n ASP 175 Cb 0.56 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.18 3ks3 n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ks3 n PHE 176 N 0.22 -2.04 -3.01 1.24 7.35 -0.43 -4.70 117.46 116.09 3ks3 n PHE 176 Ca 0.05 -2.56 -0.26 0.00 -0.76 0.00 0.00 57.45 53.92 3ks3 n PHE 176 Cb 0.37 0.84 -0.01 0.00 0.35 0.00 0.00 39.48 41.04 3ks3 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ks3 s THR 177 N -0.28 5.00 -1.59 -2.13 -4.23 -1.26 -3.08 115.64 108.07 3ks3 s THR 177 Ca 0.32 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 3ks3 s THR 177 Cb 0.24 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3ks3 s THR 177 CO -0.15 -0.69 0.00 0.59 -0.54 0.00 0.00 174.62 173.83 3ks3 n ASN 178 N -1.99 -5.09 -4.73 3.99 4.13 -1.26 -4.97 115.26 105.35 3ks3 n ASN 178 Ca -0.02 0.12 -0.39 0.00 1.68 0.00 0.00 54.58 55.97 3ks3 n ASN 178 Cb 0.56 -4.16 -0.05 0.00 -1.54 0.00 0.00 39.78 34.59 3ks3 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3ks3 s PHE 179 N -2.80 3.60 -0.44 3.10 5.36 -1.26 -5.01 117.98 120.53 3ks3 s PHE 179 Ca 0.00 1.15 -0.13 0.00 -0.96 0.00 0.00 56.93 56.98 3ks3 s PHE 179 Cb 0.00 -2.68 0.06 0.00 -0.34 0.00 0.00 43.02 40.06 3ks3 s PHE 179 CO 0.00 0.20 0.32 0.34 -1.46 0.00 0.00 175.22 174.62 3ks3 s ASP 180 N 0.40 5.97 0.04 6.13 -1.08 -1.26 -4.45 116.67 122.43 3ks3 s ASP 180 Ca 0.32 -1.25 0.16 0.00 -0.52 0.00 0.00 52.55 51.27 3ks3 s ASP 180 Cb -0.17 -2.11 0.68 0.00 -1.46 0.00 0.00 42.92 39.85 3ks3 s ASP 180 CO 0.16 -0.55 1.50 -0.81 0.52 0.00 0.00 175.17 175.99 3ks3 n PRO 181 N 5.10 0.03 0.24 4.34 -0.04 -1.26 -2.21 135.00 141.21 3ks3 n PRO 181 Ca -0.12 0.28 0.15 0.00 -0.04 0.00 0.00 63.50 63.77 3ks3 n PRO 181 Cb 0.44 -1.56 0.82 0.00 -0.04 0.00 0.00 33.50 33.16 3ks3 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ks3 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.69 114.38 114.38 3ks3 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ks3 h ARG 182 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3ks3 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3ks3 n GLY 183 N -1.41 -0.64 0.64 0.04 0.00 -0.94 -2.71 105.19 100.17 3ks3 n GLY 183 Ca -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3ks3 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ks3 n LEU 184 N -1.01 2.32 -4.85 0.99 4.77 -0.64 -4.08 117.00 114.50 3ks3 n LEU 184 Ca 0.15 -0.96 -0.34 0.00 -0.03 0.00 0.00 56.01 54.83 3ks3 n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3ks3 n LEU 184 CO 0.11 0.41 0.26 -0.76 -1.33 0.00 0.00 177.39 176.09 3ks3 s LEU 185 N -1.54 4.24 1.02 2.23 1.43 -1.10 -4.93 118.68 120.02 3ks3 s LEU 185 Ca 0.19 1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 54.20 3ks3 s LEU 185 Cb 0.14 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 43.03 3ks3 s LEU 185 CO 0.25 -0.01 1.25 -2.16 0.23 0.00 0.00 176.35 175.92 3ks3 s PRO 186 N -2.41 0.24 0.05 1.29 0.04 -1.26 -5.00 135.00 127.94 3ks3 s PRO 186 Ca 0.44 -0.27 -0.23 0.00 0.04 0.00 0.00 61.00 60.98 3ks3 s PRO 186 Cb -0.13 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.48 3ks3 s PRO 186 CO 0.20 -2.70 1.50 1.49 0.04 0.00 0.00 177.00 177.52 3ks3 h GLU 187 N -1.85 0.14 -6.18 4.56 4.81 -1.93 -3.44 114.58 110.68 3ks3 h GLU 187 Ca -0.45 -0.04 -0.58 0.00 -0.13 0.00 0.00 59.36 58.16 3ks3 h GLU 187 Cb 1.26 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 3ks3 h GLU 187 CO 0.39 0.37 -0.12 0.45 -0.73 0.00 0.00 179.01 179.37 3ks3 s SER 188 N -5.60 6.88 -0.17 1.04 0.15 -1.26 -4.99 113.70 109.75 3ks3 s SER 188 Ca -0.14 1.08 0.16 0.00 0.70 0.00 0.00 55.95 57.75 3ks3 s SER 188 Cb 0.05 -2.29 0.75 0.00 -1.71 0.00 0.00 66.02 62.82 3ks3 s SER 188 CO 0.69 0.23 1.67 0.18 1.20 0.00 0.00 173.24 177.21 3ks3 n LEU 189 N 1.40 5.10 -4.73 3.45 4.77 -1.26 -4.72 117.00 121.01 3ks3 n LEU 189 Ca -0.10 -2.68 -0.41 0.00 -0.03 0.00 0.00 56.01 52.79 3ks3 n LEU 189 Cb 0.52 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3ks3 n LEU 189 CO 0.41 0.73 1.00 0.47 -1.33 0.00 0.00 177.39 178.66 3ks3 n ASP 190 N 0.81 3.10 -3.82 -1.43 8.00 -1.26 -4.82 116.55 117.12 3ks3 n ASP 190 Ca 0.26 1.16 -0.10 0.00 0.71 0.00 0.00 54.79 56.83 3ks3 n ASP 190 Cb 1.02 -1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.50 3ks3 n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ks3 s TYR 191 N -1.15 0.11 0.09 1.24 -0.85 -1.26 -1.33 117.35 114.19 3ks3 s TYR 191 Ca 0.58 -0.47 0.04 0.00 -0.52 0.00 0.00 57.07 56.70 3ks3 s TYR 191 Cb -0.50 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 41.90 3ks3 s TYR 191 CO 0.60 -0.72 0.03 -1.58 -1.52 0.00 0.00 175.55 172.36 3ks3 s TRP 192 N -3.89 3.05 0.01 -3.49 0.51 -0.03 -0.82 118.94 114.28 3ks3 s TRP 192 Ca 0.10 0.00 -0.02 0.00 -2.12 0.00 0.00 56.10 54.07 3ks3 s TRP 192 Cb 0.02 -1.56 -0.01 0.00 -0.81 0.00 0.00 33.47 31.12 3ks3 s TRP 192 CO -0.06 0.50 0.02 -0.08 -0.51 0.00 0.00 176.95 176.82 3ks3 s THR 193 N -1.35 0.07 0.13 2.01 -1.32 0.14 -0.62 115.64 114.70 3ks3 s THR 193 Ca 0.27 -0.58 -0.24 0.00 -1.21 0.00 0.00 61.69 59.93 3ks3 s THR 193 Cb -0.12 -0.23 0.07 0.00 -1.51 0.00 0.00 72.50 70.72 3ks3 s THR 193 CO 0.20 -0.32 0.69 -0.72 -2.21 0.00 0.00 174.62 172.25 3ks3 s TYR 194 N -0.98 -0.45 -0.03 9.09 1.13 -1.03 -1.44 117.35 123.64 3ks3 s TYR 194 Ca -0.11 0.23 -0.25 0.00 -1.41 0.00 0.00 57.07 55.54 3ks3 s TYR 194 Cb -0.06 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 3ks3 s TYR 194 CO -0.00 -0.82 0.75 -1.25 -2.51 0.00 0.00 175.55 171.72 3ks3 s PRO 195 N -3.61 4.46 0.00 -3.49 0.04 -1.26 -1.35 135.00 129.79 3ks3 s PRO 195 Ca 0.03 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3ks3 s PRO 195 Cb -0.01 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3ks3 s PRO 195 CO -0.10 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.46 3ks3 n GLY 196 N 2.89 4.44 3.22 0.56 0.00 0.59 -4.82 105.19 112.06 3ks3 n GLY 196 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3ks3 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks3 s SER 197 N 1.58 0.41 0.52 1.61 1.04 -1.12 -2.23 113.70 115.51 3ks3 s SER 197 Ca 0.00 -1.35 -0.22 0.00 0.48 0.00 0.00 55.95 54.86 3ks3 s SER 197 Cb 0.00 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 3ks3 s SER 197 CO 0.00 -0.79 1.25 0.18 0.98 0.00 0.00 173.24 174.86 3ks3 n LEU 198 N -0.28 4.72 -0.87 2.42 4.77 -0.27 -4.50 117.00 122.98 3ks3 n LEU 198 Ca 0.00 0.98 0.12 0.00 -0.03 0.00 0.00 56.01 57.08 3ks3 n LEU 198 Cb 0.66 -1.51 0.23 0.00 -2.33 0.00 0.00 43.42 40.46 3ks3 n LEU 198 CO 0.34 -0.88 0.70 0.35 -1.33 0.00 0.00 177.39 176.57 3ks3 n THR 199 N -0.96 0.11 -4.38 -5.08 -2.24 -1.26 -4.43 114.28 96.04 3ks3 n THR 199 Ca 0.10 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 3ks3 n THR 199 Cb 0.44 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 3ks3 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ks3 s THR 200 N -1.89 2.13 0.17 4.28 -4.23 -1.26 -4.71 115.64 110.14 3ks3 s THR 200 Ca 0.32 -1.88 -0.33 0.00 -1.18 0.00 0.00 61.69 58.63 3ks3 s THR 200 Cb 0.21 -1.96 -0.16 0.00 1.34 0.00 0.00 72.50 71.93 3ks3 s THR 200 CO 0.31 -0.10 1.14 -2.65 -0.54 0.00 0.00 174.62 172.78 3ks3 n PRO 201 N 0.54 1.11 -0.12 3.99 -0.02 -1.26 -0.61 135.00 138.62 3ks3 n PRO 201 Ca -0.15 0.39 0.05 0.00 -2.02 0.00 0.00 63.50 61.78 3ks3 n PRO 201 Cb 0.55 -1.88 0.16 0.00 -0.02 0.00 0.00 33.50 32.32 3ks3 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ks3 n PRO 202 N 1.69 1.58 -2.16 0.52 -0.04 -1.26 -5.01 135.00 130.32 3ks3 n PRO 202 Ca 0.15 -0.90 -0.17 0.00 -0.04 0.00 0.00 63.50 62.54 3ks3 n PRO 202 Cb 0.24 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 3ks3 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ks3 n LEU 203 N 0.21 -1.66 -4.77 1.53 4.77 0.22 -4.91 117.00 112.39 3ks3 n LEU 203 Ca 0.10 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.75 3ks3 n LEU 203 Cb 0.22 -2.46 -0.01 0.00 -2.33 0.00 0.00 43.42 38.84 3ks3 n LEU 203 CO 0.07 -0.31 0.93 -0.76 -1.33 0.00 0.00 177.39 175.99 3ks3 s LEU 204 N -4.65 4.23 -1.26 2.23 1.43 -1.26 -4.43 118.68 114.96 3ks3 s LEU 204 Ca 0.00 2.58 -0.09 0.00 -1.03 0.00 0.00 54.13 55.60 3ks3 s LEU 204 Cb 0.00 -3.91 0.18 0.00 0.03 0.00 0.00 46.19 42.49 3ks3 s LEU 204 CO 0.00 -0.78 1.86 -0.62 0.23 0.00 0.00 176.35 177.05 3ks3 n GLU 205 N 0.18 3.76 0.00 1.70 1.02 -1.26 -1.12 120.64 124.93 3ks3 n GLU 205 Ca 0.03 -3.63 0.00 0.00 -0.02 0.00 0.00 57.16 53.54 3ks3 n GLU 205 Cb 0.44 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 3ks3 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ks3 s VAL 207 N -0.50 3.23 -0.39 0.00 1.01 -0.95 -0.83 120.40 121.97 3ks3 s VAL 207 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 3ks3 s VAL 207 Cb 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3ks3 s VAL 207 CO 0.00 0.52 0.71 -0.89 0.00 0.00 0.00 175.10 175.43 3ks3 s THR 208 N 0.39 4.79 0.05 3.92 2.01 0.03 -0.30 115.64 126.52 3ks3 s THR 208 Ca -0.09 0.55 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 3ks3 s THR 208 Cb -0.15 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 3ks3 s THR 208 CO 0.05 -0.48 0.72 0.26 -0.69 0.00 0.00 174.62 174.48 3ks3 s TRP 209 N 2.96 3.75 -0.26 4.92 0.52 -0.46 -2.01 118.94 128.36 3ks3 s TRP 209 Ca 0.27 1.42 -0.00 0.00 0.02 0.00 0.00 56.10 57.81 3ks3 s TRP 209 Cb -0.14 -2.75 0.07 0.00 -1.15 0.00 0.00 33.47 29.51 3ks3 s TRP 209 CO 0.18 0.33 0.02 0.42 0.02 0.00 0.00 176.95 177.92 3ks3 s ILE 210 N -0.26 1.20 -0.26 2.03 1.01 -0.38 -2.47 121.20 122.06 3ks3 s ILE 210 Ca 0.36 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 3ks3 s ILE 210 Cb -0.20 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3ks3 s ILE 210 CO 0.22 -0.33 0.02 -0.69 0.00 0.00 0.00 174.94 174.17 3ks3 s VAL 211 N 1.51 3.72 0.30 2.92 1.01 0.21 -0.54 120.40 129.53 3ks3 s VAL 211 Ca 0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3ks3 s VAL 211 Cb -0.18 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 3ks3 s VAL 211 CO -0.12 0.25 1.17 -0.76 0.00 0.00 0.00 175.10 175.64 3ks3 s LEU 212 N 1.49 4.50 0.18 3.92 1.43 -0.02 -0.85 118.68 129.34 3ks3 s LEU 212 Ca 0.04 2.42 -0.07 0.00 -1.03 0.00 0.00 54.13 55.49 3ks3 s LEU 212 Cb -0.16 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3ks3 s LEU 212 CO 0.00 -0.29 1.53 0.50 0.23 0.00 0.00 176.35 178.33 3ks3 h LYS 213 N 3.65 0.82 -5.74 1.70 3.64 -1.55 -3.43 116.57 115.66 3ks3 h LYS 213 Ca -0.48 -0.41 -0.60 0.00 -1.27 0.00 0.00 60.65 57.89 3ks3 h LYS 213 Cb 1.22 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 3ks3 h LYS 213 CO 0.66 1.04 0.38 -2.00 -2.27 0.00 0.00 179.45 177.27 3ks3 s GLU 214 N -4.40 4.03 0.60 1.90 2.12 -1.26 -5.01 118.70 116.68 3ks3 s GLU 214 Ca -0.10 0.66 -0.17 0.00 0.36 0.00 0.00 54.97 55.73 3ks3 s GLU 214 Cb 0.12 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3ks3 s GLU 214 CO 0.86 -0.61 1.09 -2.14 -0.54 0.00 0.00 175.26 173.92 3ks3 s PRO 215 N 2.87 3.17 0.33 4.30 0.02 -1.26 -4.66 135.00 139.76 3ks3 s PRO 215 Ca 0.32 1.37 -0.05 0.00 0.02 0.00 0.00 61.00 62.66 3ks3 s PRO 215 Cb -0.15 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 3ks3 s PRO 215 CO 0.11 -0.95 0.60 0.96 -0.33 0.00 0.00 177.00 177.39 3ks3 s ILE 216 N -2.23 4.99 -0.16 2.83 -4.36 0.02 -4.90 121.20 117.39 3ks3 s ILE 216 Ca 0.67 0.09 -0.07 0.00 -0.26 0.00 0.00 60.65 61.08 3ks3 s ILE 216 Cb -0.19 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.72 3ks3 s ILE 216 CO 0.35 -0.42 0.07 -0.55 0.24 0.00 0.00 174.94 174.64 3ks3 s SER 217 N -3.33 5.75 0.21 4.36 0.15 -1.26 -1.21 113.70 118.37 3ks3 s SER 217 Ca 0.45 0.16 0.09 0.00 0.70 0.00 0.00 55.95 57.35 3ks3 s SER 217 Cb -0.10 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.23 3ks3 s SER 217 CO 0.32 0.24 -0.17 0.68 1.20 0.00 0.00 173.24 175.51 3ks3 s VAL 218 N 0.01 1.92 0.56 4.45 -7.23 -0.06 -2.99 120.40 117.05 3ks3 s VAL 218 Ca 0.07 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 57.99 3ks3 s VAL 218 Cb -0.12 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3ks3 s VAL 218 CO 0.01 -0.48 0.88 -0.94 -0.31 0.00 0.00 175.10 174.26 3ks3 s SER 219 N -3.20 5.90 0.31 4.85 1.04 -1.21 -0.24 113.70 121.16 3ks3 s SER 219 Ca 0.22 0.90 0.02 0.00 0.48 0.00 0.00 55.95 57.57 3ks3 s SER 219 Cb -0.03 -2.01 0.59 0.00 0.10 0.00 0.00 66.02 64.68 3ks3 s SER 219 CO 0.08 -0.88 1.89 0.77 0.98 0.00 0.00 173.24 176.09 3ks3 h SER 220 N -0.07 0.86 -0.33 7.02 4.64 -1.94 -1.80 113.55 121.94 3ks3 h SER 220 Ca -0.46 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 3ks3 h SER 220 Cb 1.23 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3ks3 h SER 220 CO 0.61 0.52 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.65 3ks3 h GLU 221 N 0.96 0.76 -0.17 4.77 3.07 -1.95 -0.65 114.58 121.37 3ks3 h GLU 221 Ca 0.42 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3ks3 h GLU 221 Cb 0.34 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3ks3 h GLU 221 CO -0.18 0.84 0.05 1.96 -1.40 0.00 0.00 179.01 180.28 3ks3 h GLN 222 N 0.69 0.27 -0.08 2.33 4.20 -1.72 -2.60 115.11 118.19 3ks3 h GLN 222 Ca 0.12 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3ks3 h GLN 222 Cb 0.58 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3ks3 h GLN 222 CO 0.04 0.39 -0.47 -0.24 -0.67 0.00 0.00 178.83 177.88 3ks3 h VAL 223 N 0.09 1.34 -0.57 -0.54 3.04 -1.28 -2.41 116.25 115.92 3ks3 h VAL 223 Ca 0.05 -1.66 0.03 0.00 -1.01 0.00 0.00 66.70 64.11 3ks3 h VAL 223 Cb 0.24 1.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.29 3ks3 h VAL 223 CO -0.00 0.49 0.38 -0.07 -1.01 0.00 0.00 177.57 177.36 3ks3 h LEU 224 N 0.16 0.58 -0.69 3.16 3.38 -1.01 -1.75 115.31 119.13 3ks3 h LEU 224 Ca 0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3ks3 h LEU 224 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3ks3 h LEU 224 CO 0.07 0.40 -0.46 0.11 0.09 0.00 0.00 178.44 178.65 3ks3 h LYS 225 N 0.67 0.46 -0.93 1.13 1.57 -1.04 -2.37 116.57 116.06 3ks3 h LYS 225 Ca 0.23 -0.25 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3ks3 h LYS 225 Cb 0.09 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 3ks3 h LYS 225 CO -0.06 0.83 0.58 0.74 -0.57 0.00 0.00 179.45 180.97 3ks3 h PHE 226 N 0.37 1.07 0.00 -1.35 -1.00 -1.14 -2.54 116.94 112.36 3ks3 h PHE 226 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3ks3 h PHE 226 Cb 0.95 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.17 3ks3 h PHE 226 CO 0.03 0.52 0.00 0.54 -1.61 0.00 0.00 178.31 177.79 3ks3 n ARG 227 N -4.59 0.42 0.02 1.51 1.74 -0.91 -2.34 116.66 112.51 3ks3 n ARG 227 Ca 0.15 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 3ks3 n ARG 227 Cb 0.22 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.38 3ks3 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ks3 n LYS 228 N -1.23 0.12 -0.77 5.56 5.02 -0.96 -4.53 118.16 121.37 3ks3 n LYS 228 Ca 0.12 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 3ks3 n LYS 228 Cb 0.16 -1.57 0.19 0.00 -0.02 0.00 0.00 35.03 33.79 3ks3 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ks3 s LEU 229 N -3.47 2.02 -0.01 -0.35 1.43 -0.99 -4.86 118.68 112.45 3ks3 s LEU 229 Ca 0.09 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 3ks3 s LEU 229 Cb 0.16 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 3ks3 s LEU 229 CO 0.71 -3.35 -0.23 0.20 0.23 0.00 0.00 176.35 173.90 3ks3 s ASN 230 N -2.80 2.71 0.20 2.29 0.02 0.39 -0.46 114.94 117.29 3ks3 s ASN 230 Ca 0.66 -0.43 -0.03 0.00 -1.02 0.00 0.00 52.86 52.05 3ks3 s ASN 230 Cb -0.22 -0.30 0.15 0.00 0.02 0.00 0.00 41.25 40.90 3ks3 s ASN 230 CO 0.60 0.28 1.54 -0.26 0.02 0.00 0.00 177.10 179.27 3ks3 h PHE 231 N 5.49 0.69 -4.32 2.20 0.04 -1.32 -3.35 116.94 116.37 3ks3 h PHE 231 Ca -0.41 -0.23 -0.49 0.00 2.80 0.00 0.00 57.97 59.64 3ks3 h PHE 231 Cb 1.13 -0.14 0.10 0.00 2.20 0.00 0.00 35.95 39.25 3ks3 h PHE 231 CO 0.40 0.95 0.35 0.54 -0.60 0.00 0.00 178.31 179.95 3ks3 s ASN 232 N -6.89 4.79 0.65 2.17 4.22 -1.26 -4.37 114.94 114.25 3ks3 s ASN 232 Ca -0.07 1.36 -0.09 0.00 -2.14 0.00 0.00 52.86 51.92 3ks3 s ASN 232 Cb 0.12 -2.14 0.01 0.00 1.28 0.00 0.00 41.25 40.52 3ks3 s ASN 232 CO 0.84 -1.79 1.01 -0.83 -2.04 0.00 0.00 177.10 174.29 3ks3 s GLY 233 N -3.92 1.62 0.28 0.45 0.00 -1.26 -1.08 107.32 103.41 3ks3 s GLY 233 Ca 0.60 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 3ks3 s GLY 233 CO 0.54 -0.14 1.52 -2.21 0.00 0.00 0.00 173.10 172.81 3ks3 n GLU 234 N -2.80 2.47 -0.69 2.90 2.13 -1.26 -2.11 120.64 121.28 3ks3 n GLU 234 Ca 0.06 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3ks3 n GLU 234 Cb 0.57 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.67 3ks3 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ks3 n GLY 235 N 2.00 0.77 3.77 8.31 0.00 -1.26 -5.04 105.19 113.74 3ks3 n GLY 235 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3ks3 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ks3 s GLU 236 N -0.31 2.58 0.31 1.61 2.02 -0.90 -5.08 118.70 118.93 3ks3 s GLU 236 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 54.97 53.35 3ks3 s GLU 236 Cb 0.00 -2.34 -0.12 0.00 0.10 0.00 0.00 34.13 31.77 3ks3 s GLU 236 CO 0.00 0.20 1.52 -2.30 0.02 0.00 0.00 175.26 174.70 3ks3 n PRO 237 N -1.18 2.54 -2.27 0.39 -0.02 -1.26 -4.88 135.00 128.31 3ks3 n PRO 237 Ca -0.04 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3ks3 n PRO 237 Cb 0.60 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3ks3 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ks3 s GLU 238 N -0.94 4.28 -0.21 -0.52 2.12 -1.26 -4.74 118.70 117.42 3ks3 s GLU 238 Ca 0.62 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.85 3ks3 s GLU 238 Cb -0.52 -3.64 0.05 0.00 0.26 0.00 0.00 34.13 30.29 3ks3 s GLU 238 CO 0.53 -0.60 -0.05 -1.21 -0.54 0.00 0.00 175.26 173.39 3ks3 s GLU 239 N 2.67 1.58 0.31 4.30 2.02 -1.26 -5.06 118.70 123.26 3ks3 s GLU 239 Ca 0.62 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 3ks3 s GLU 239 Cb -0.29 -2.41 -0.11 0.00 0.10 0.00 0.00 34.13 31.42 3ks3 s GLU 239 CO 0.24 -0.54 1.46 -0.51 0.02 0.00 0.00 175.26 175.93 3ks3 s LEU 240 N 1.48 4.37 -0.96 1.80 1.43 -1.26 -1.01 118.68 124.52 3ks3 s LEU 240 Ca -0.03 2.84 -0.23 0.00 -1.03 0.00 0.00 54.13 55.68 3ks3 s LEU 240 Cb -0.18 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.45 3ks3 s LEU 240 CO -0.07 -0.76 1.40 -0.32 0.23 0.00 0.00 176.35 176.83 3ks3 s MET 241 N -1.21 3.51 0.04 1.70 -2.45 0.40 -4.59 119.30 116.71 3ks3 s MET 241 Ca 0.56 -0.99 -0.03 0.00 -1.25 0.00 0.00 55.69 53.97 3ks3 s MET 241 Cb -0.44 -5.11 -0.02 0.00 1.25 0.00 0.00 34.83 30.50 3ks3 s MET 241 CO 0.52 -2.17 0.03 0.14 1.05 0.00 0.00 175.02 174.59 3ks3 s VAL 242 N 4.98 0.16 -1.34 10.11 -7.23 -1.26 -4.49 120.40 121.34 3ks3 s VAL 242 Ca 0.43 -1.33 -0.06 0.00 -1.81 0.00 0.00 61.98 59.21 3ks3 s VAL 242 Cb -0.02 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.89 3ks3 s VAL 242 CO -0.05 -0.74 1.03 0.47 -0.31 0.00 0.00 175.10 175.51 3ks3 n ASP 243 N 0.61 -4.19 -2.49 4.85 8.00 -0.04 -4.85 116.55 118.44 3ks3 n ASP 243 Ca -0.18 -0.64 -0.30 0.00 0.71 0.00 0.00 54.79 54.39 3ks3 n ASP 243 Cb 0.59 -4.73 -0.00 0.00 -0.02 0.00 0.00 41.12 36.96 3ks3 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ks3 n ASN 244 N -3.02 6.88 -4.28 -2.24 6.94 -1.09 -4.90 115.26 113.55 3ks3 n ASN 244 Ca -0.11 -3.41 -0.29 0.00 -0.02 0.00 0.00 54.58 50.75 3ks3 n ASN 244 Cb 0.60 -1.14 -0.15 0.00 -2.36 0.00 0.00 39.78 36.73 3ks3 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ks3 s TRP 245 N -2.56 2.08 0.03 -2.53 1.48 -1.26 -4.59 118.94 111.59 3ks3 s TRP 245 Ca 0.54 -0.39 -0.21 0.00 -1.06 0.00 0.00 56.10 54.97 3ks3 s TRP 245 Cb 0.39 -1.30 -0.06 0.00 -1.16 0.00 0.00 33.47 31.34 3ks3 s TRP 245 CO -0.22 0.02 0.62 0.50 -4.06 0.00 0.00 176.95 173.81 3ks3 s ARG 246 N -0.79 4.33 0.89 3.25 3.52 -1.26 -4.96 118.95 123.93 3ks3 s ARG 246 Ca 0.09 0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 56.37 3ks3 s ARG 246 Cb -0.09 -3.32 0.13 0.00 -1.56 0.00 0.00 34.95 30.11 3ks3 s ARG 246 CO 0.00 0.43 1.13 -1.25 -0.81 0.00 0.00 175.30 174.80 3ks3 s PRO 247 N -0.44 1.30 0.39 5.12 0.04 -1.26 -4.58 135.00 135.57 3ks3 s PRO 247 Ca 0.32 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 3ks3 s PRO 247 Cb -0.19 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 3ks3 s PRO 247 CO 0.19 -2.10 1.49 0.00 0.04 0.00 0.00 177.00 176.61 3ks3 n ALA 248 N -3.71 2.35 -2.65 8.56 0.00 -1.26 -4.33 120.51 119.46 3ks3 n ALA 248 Ca 0.07 0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 3ks3 n ALA 248 Cb 0.59 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 3ks3 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ks3 s GLN 249 N -2.15 2.56 0.32 0.00 -1.52 0.44 -4.94 119.66 114.37 3ks3 s GLN 249 Ca 0.54 -1.32 -0.29 0.00 -1.95 0.00 0.00 55.36 52.34 3ks3 s GLN 249 Cb -0.47 -2.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.88 3ks3 s GLN 249 CO 0.63 0.28 1.51 -2.14 -0.25 0.00 0.00 175.29 175.32 3ks3 s PRO 250 N -3.81 4.16 0.27 2.91 0.02 -1.26 -4.57 135.00 132.72 3ks3 s PRO 250 Ca 0.35 2.50 0.03 0.00 0.02 0.00 0.00 61.00 63.90 3ks3 s PRO 250 Cb -0.06 -3.02 0.38 0.00 0.02 0.00 0.00 34.50 31.82 3ks3 s PRO 250 CO 0.23 -0.53 1.68 1.25 -0.33 0.00 0.00 177.00 179.30 3ks3 h LEU 251 N 4.15 0.41 0.00 -5.54 5.85 -1.95 -3.43 115.31 114.80 3ks3 h LEU 251 Ca -0.48 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3ks3 h LEU 251 Cb 1.23 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3ks3 h LEU 251 CO 0.73 0.74 0.00 0.29 -0.34 0.00 0.00 178.44 179.86 3ks3 n LYS 252 N -4.06 0.00 -2.03 1.25 5.02 -1.26 -3.25 118.16 113.82 3ks3 n LYS 252 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 3ks3 n LYS 252 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.47 3ks3 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ks3 n ASN 253 N 0.33 7.46 -4.11 4.39 4.05 -1.26 -4.89 115.26 121.23 3ks3 n ASN 253 Ca 0.00 -3.11 -0.15 0.00 0.45 0.00 0.00 54.58 51.77 3ks3 n ASN 253 Cb 0.00 -1.39 -0.12 0.00 1.23 0.00 0.00 39.78 39.50 3ks3 n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3ks3 s ARG 254 N -0.68 0.65 -0.07 1.20 0.52 -1.20 -5.11 118.95 114.27 3ks3 s ARG 254 Ca 0.52 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.92 3ks3 s ARG 254 Cb 0.17 -0.51 -0.01 0.00 0.52 0.00 0.00 34.95 35.12 3ks3 s ARG 254 CO -0.07 0.10 -0.21 1.14 0.02 0.00 0.00 175.30 176.28 3ks3 s GLN 255 N -1.69 2.71 -0.11 3.54 -2.07 -1.26 -5.05 119.66 115.73 3ks3 s GLN 255 Ca -0.06 -0.83 -0.17 0.00 -1.82 0.00 0.00 55.36 52.48 3ks3 s GLN 255 Cb -0.10 -2.29 -0.04 0.00 -1.09 0.00 0.00 33.01 29.49 3ks3 s GLN 255 CO 0.01 0.39 0.45 0.42 -1.32 0.00 0.00 175.29 175.24 3ks3 s ILE 256 N -0.16 5.18 -0.01 3.63 1.01 -1.26 -4.71 121.20 124.88 3ks3 s ILE 256 Ca -0.03 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.53 3ks3 s ILE 256 Cb -0.14 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3ks3 s ILE 256 CO 0.04 0.36 -0.00 -0.54 0.00 0.00 0.00 174.94 174.79 3ks3 s LYS 257 N 0.43 2.79 -0.05 2.79 -0.14 -0.52 -2.26 119.74 122.78 3ks3 s LYS 257 Ca 0.25 -0.60 -0.01 0.00 -1.36 0.00 0.00 55.97 54.25 3ks3 s LYS 257 Cb -0.15 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 3ks3 s LYS 257 CO 0.10 0.63 0.01 0.00 -0.76 0.00 0.00 175.35 175.32 3ks3 s ALA 258 N -1.07 3.31 -1.59 5.17 0.00 0.14 -0.69 121.76 127.03 3ks3 s ALA 258 Ca 0.19 -0.86 0.29 0.00 0.00 0.00 0.00 51.96 51.57 3ks3 s ALA 258 Cb -0.11 -1.44 1.18 0.00 0.00 0.00 0.00 23.12 22.75 3ks3 s ALA 258 CO 0.10 0.62 1.84 -1.13 0.00 0.00 0.00 175.76 177.18 3ks3 n SER 259 N 1.80 0.46 -4.12 0.00 3.41 0.00 -1.35 113.62 113.82 3ks3 n SER 259 Ca -0.17 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 3ks3 n SER 259 Cb 0.53 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 3ks3 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ks3 s PHE 260 N -2.53 0.73 -2.85 7.33 -0.71 -1.26 -4.89 117.98 113.80 3ks3 s PHE 260 Ca 0.27 -0.88 0.25 0.00 -1.04 0.00 0.00 56.93 55.53 3ks3 s PHE 260 Cb 0.20 -0.45 0.45 0.00 -1.21 0.00 0.00 43.02 42.01 3ks3 s PHE 260 CO 0.49 -0.21 1.41 1.63 -1.34 0.00 0.00 175.22 177.20