#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkx n HIS 4 N 0.00 0.00 -1.80 1.57 -0.00 -1.26 -5.16 115.22 108.57 3kkx n HIS 4 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 3kkx n HIS 4 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 3kkx n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 3kkx s TRP 5 N -2.00 3.06 0.00 1.57 1.48 -1.26 -4.87 118.94 116.92 3kkx s TRP 5 Ca 0.00 1.46 0.00 0.00 -1.06 0.00 0.00 56.10 56.50 3kkx s TRP 5 Cb 0.00 -2.94 0.00 0.00 -1.16 0.00 0.00 33.47 29.37 3kkx s TRP 5 CO 0.00 -1.16 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 3kkx n GLY 6 N -1.51 2.45 0.10 3.67 0.00 -0.48 -5.05 105.19 104.37 3kkx n GLY 6 Ca 0.08 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.88 3kkx n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kkx n TYR 7 N 0.00 0.00 -1.95 1.61 4.02 -1.26 -3.84 117.16 115.73 3kkx n TYR 7 Ca 0.00 -0.53 -0.21 0.00 -0.01 0.00 0.00 57.90 57.16 3kkx n TYR 7 Cb 0.00 -0.08 0.13 0.00 -0.02 0.00 0.00 39.34 39.38 3kkx n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kkx n GLY 8 N -0.68 -0.76 0.25 2.72 0.00 -1.26 -4.70 105.19 100.76 3kkx n GLY 8 Ca 0.06 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3kkx n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kkx h LYS 9 N 0.00 0.41 -0.00 1.61 3.64 -1.98 -1.71 116.57 118.53 3kkx h LYS 9 Ca -0.30 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3kkx h LYS 9 Cb 0.90 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3kkx h LYS 9 CO 0.24 0.52 -0.91 0.72 -2.27 0.00 0.00 179.45 177.75 3kkx n HIS 10 N -4.24 0.00 -1.89 1.91 8.25 -1.26 -4.49 115.22 113.50 3kkx n HIS 10 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3kkx n HIS 10 Cb 0.29 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.40 3kkx n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3kkx n ASN 11 N -1.31 0.17 -2.73 0.41 6.94 -1.20 -4.97 115.26 112.57 3kkx n ASN 11 Ca 0.05 -2.04 -0.10 0.00 -0.02 0.00 0.00 54.58 52.47 3kkx n ASN 11 Cb 0.35 -0.21 0.06 0.00 -2.36 0.00 0.00 39.78 37.62 3kkx n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kkx n GLY 12 N -0.10 -0.69 0.45 4.83 0.00 -0.65 -1.38 105.19 107.64 3kkx n GLY 12 Ca 0.01 -1.77 0.29 0.00 0.00 0.00 0.00 46.02 44.55 3kkx n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kkx h PRO 13 N 0.00 0.24 0.00 1.61 0.11 -1.87 0.27 132.00 132.37 3kkx h PRO 13 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3kkx h PRO 13 Cb 0.42 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3kkx h PRO 13 CO 0.11 0.16 0.00 0.39 -0.21 0.00 0.00 178.00 178.45 3kkx n GLU 14 N -4.56 0.11 -0.01 1.05 -0.58 -1.26 -2.44 120.64 112.96 3kkx n GLU 14 Ca 0.28 0.39 0.11 0.00 -0.42 0.00 0.00 57.16 57.52 3kkx n GLU 14 Cb 1.09 -1.73 -0.15 0.00 -0.57 0.00 0.00 31.44 30.07 3kkx n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3kkx n HIS 15 N -1.95 0.00 0.20 -0.32 8.25 0.95 -4.59 115.22 117.77 3kkx n HIS 15 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 3kkx n HIS 15 Cb 0.18 -0.28 0.57 0.00 1.12 0.00 0.00 29.99 31.57 3kkx n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3kkx h TRP 16 N 0.00 0.10 -0.00 4.41 6.55 -1.45 -2.07 115.95 123.49 3kkx h TRP 16 Ca 0.00 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3kkx h TRP 16 Cb 0.78 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 29.05 3kkx h TRP 16 CO 0.00 0.11 0.01 1.12 -1.05 0.00 0.00 178.44 178.62 3kkx h HIS 17 N 0.10 0.00 -0.18 0.49 2.07 -1.79 0.59 115.15 116.43 3kkx h HIS 17 Ca 0.03 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.44 3kkx h HIS 17 Cb 0.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 3kkx h HIS 17 CO 0.00 0.00 -0.35 0.87 -3.07 0.00 0.00 177.93 175.38 3kkx h LYS 18 N 0.00 0.38 0.00 5.12 1.57 -1.72 -3.02 116.57 118.91 3kkx h LYS 18 Ca 0.00 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3kkx h LYS 18 Cb 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3kkx h LYS 18 CO -0.00 0.68 -1.84 -0.25 -0.57 0.00 0.00 179.45 177.47 3kkx n ASP 19 N -4.06 0.32 -3.65 0.86 8.00 -0.77 -4.72 116.55 112.52 3kkx n ASP 19 Ca -0.01 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 3kkx n ASP 19 Cb 0.46 1.10 -0.11 0.00 -0.02 0.00 0.00 41.12 42.54 3kkx n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kkx s PHE 20 N -3.08 2.24 0.66 1.24 0.08 0.13 -4.99 117.98 114.24 3kkx s PHE 20 Ca -0.06 -2.75 0.41 0.00 0.12 0.00 0.00 56.93 54.65 3kkx s PHE 20 Cb 0.10 -1.79 2.29 0.00 -0.57 0.00 0.00 43.02 43.05 3kkx s PHE 20 CO 0.85 -0.70 2.33 -1.35 -0.10 0.00 0.00 175.22 176.24 3kkx h PRO 21 N 5.70 0.00 0.00 0.24 0.11 -1.78 -0.48 132.00 135.79 3kkx h PRO 21 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kkx h PRO 21 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kkx h PRO 21 CO 0.53 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.83 3kkx n ILE 22 N -3.20 1.31 0.15 4.15 0.13 -1.26 -1.94 119.36 118.70 3kkx n ILE 22 Ca -0.03 0.50 0.19 0.00 -1.10 0.00 0.00 62.75 62.31 3kkx n ILE 22 Cb 0.10 -1.45 0.78 0.00 -0.84 0.00 0.00 39.64 38.24 3kkx n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kkx h ALA 23 N 2.12 1.96 -0.75 1.51 0.00 -1.40 0.12 119.26 122.83 3kkx h ALA 23 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 3kkx h ALA 23 Cb 0.10 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.69 3kkx h ALA 23 CO 0.00 -0.49 0.36 1.63 0.00 0.00 0.00 179.25 180.75 3kkx n LYS 24 N -3.72 2.25 -0.82 0.00 5.02 -0.82 -4.96 118.16 115.10 3kkx n LYS 24 Ca 0.05 -3.08 -0.14 0.00 -2.02 0.00 0.00 58.31 53.12 3kkx n LYS 24 Cb 0.49 -2.05 0.11 0.00 -0.02 0.00 0.00 35.03 33.55 3kkx n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kkx n GLY 25 N -1.05 -1.65 0.03 0.72 0.00 0.43 -4.99 105.19 98.69 3kkx n GLY 25 Ca 0.49 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.99 3kkx n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kkx n GLU 26 N -2.57 0.13 -2.81 1.61 -0.58 -1.26 -4.31 120.64 110.85 3kkx n GLU 26 Ca 0.08 0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.74 3kkx n GLU 26 Cb 0.28 -1.58 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 3kkx n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3kkx n ARG 27 N -1.76 1.09 -2.68 3.49 1.85 -1.26 -4.65 116.66 112.74 3kkx n ARG 27 Ca 0.05 -3.15 -0.31 0.00 -1.00 0.00 0.00 57.85 53.43 3kkx n ARG 27 Cb 0.38 -1.28 -0.03 0.00 -1.05 0.00 0.00 32.46 30.48 3kkx n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3kkx s GLN 28 N -2.62 3.83 0.22 2.89 -1.52 -1.26 -2.70 119.66 118.50 3kkx s GLN 28 Ca 0.30 0.64 0.09 0.00 -1.95 0.00 0.00 55.36 54.44 3kkx s GLN 28 Cb 0.42 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 30.87 3kkx s GLN 28 CO -0.00 -0.13 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.63 3kkx s SER 29 N -3.16 2.86 0.91 5.90 0.01 -1.26 -4.68 113.70 114.29 3kkx s SER 29 Ca 0.54 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.69 3kkx s SER 29 Cb -0.10 -0.18 0.16 0.00 0.21 0.00 0.00 66.02 66.11 3kkx s SER 29 CO 0.32 -0.10 0.98 -0.81 0.41 0.00 0.00 173.24 174.04 3kkx n PRO 30 N -0.38 -0.75 -4.20 12.44 -0.04 -1.26 -4.65 135.00 136.17 3kkx n PRO 30 Ca -0.08 -1.76 -0.12 0.00 -0.04 0.00 0.00 63.50 61.51 3kkx n PRO 30 Cb 0.60 -0.93 -0.10 0.00 -0.04 0.00 0.00 33.50 33.02 3kkx n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kkx s VAL 31 N -3.05 0.36 0.01 0.52 -7.23 -1.26 -0.64 120.40 109.11 3kkx s VAL 31 Ca 0.57 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 58.53 3kkx s VAL 31 Cb -0.02 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3kkx s VAL 31 CO 0.40 -0.45 0.87 -0.62 -0.31 0.00 0.00 175.10 175.00 3kkx s ASP 32 N -3.11 7.27 -0.54 4.85 2.15 -1.26 -3.17 116.67 122.86 3kkx s ASP 32 Ca 0.25 1.53 -0.20 0.00 0.43 0.00 0.00 52.55 54.56 3kkx s ASP 32 Cb 0.07 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 40.24 3kkx s ASP 32 CO 0.03 -0.15 0.73 -0.63 -0.17 0.00 0.00 175.17 174.98 3kkx s ILE 33 N 0.62 4.73 -0.55 4.11 1.01 0.42 -4.95 121.20 126.58 3kkx s ILE 33 Ca 0.45 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.39 3kkx s ILE 33 Cb -0.20 -4.41 0.03 0.00 0.01 0.00 0.00 42.46 37.88 3kkx s ILE 33 CO 0.25 -0.98 1.15 -0.62 0.00 0.00 0.00 174.94 174.74 3kkx s ASP 34 N 2.99 6.47 0.54 3.58 -1.08 -1.26 -1.02 116.67 126.89 3kkx s ASP 34 Ca 0.18 0.13 0.33 0.00 -0.52 0.00 0.00 52.55 52.67 3kkx s ASP 34 Cb -0.19 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.06 3kkx s ASP 34 CO 0.12 -1.40 1.97 0.71 0.52 0.00 0.00 175.17 177.08 3kkx h THR 35 N 6.16 0.00 0.00 1.71 1.35 -1.95 -2.13 112.91 118.05 3kkx h THR 35 Ca -0.25 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3kkx h THR 35 Cb 1.06 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3kkx h THR 35 CO 1.16 0.00 -0.48 1.41 -0.25 0.00 0.00 175.52 177.36 3kkx n HIS 36 N -3.05 0.28 0.25 4.73 8.25 -1.26 -3.92 115.22 120.50 3kkx n HIS 36 Ca 0.01 0.08 0.08 0.00 -0.26 0.00 0.00 57.72 57.63 3kkx n HIS 36 Cb 0.31 -0.48 -0.11 0.00 1.12 0.00 0.00 29.99 30.82 3kkx n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kkx n THR 37 N -1.80 0.00 -2.15 1.59 -1.04 -0.95 -4.97 114.28 104.96 3kkx n THR 37 Ca 0.05 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.05 61.38 3kkx n THR 37 Cb 0.39 0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 69.33 3kkx n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kkx s ALA 38 N -2.86 3.35 -0.29 2.41 0.00 -0.84 -4.82 121.76 118.70 3kkx s ALA 38 Ca -0.02 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 3kkx s ALA 38 Cb 0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3kkx s ALA 38 CO 0.65 -0.65 0.21 0.21 0.00 0.00 0.00 175.76 176.18 3kkx s LYS 39 N -2.01 3.85 0.13 0.00 2.47 -0.56 -4.84 119.74 118.77 3kkx s LYS 39 Ca 0.53 -0.38 -0.31 0.00 -1.56 0.00 0.00 55.97 54.24 3kkx s LYS 39 Cb -0.37 -3.69 -0.10 0.00 -1.46 0.00 0.00 37.83 32.20 3kkx s LYS 39 CO 0.48 -0.25 1.79 -0.47 0.16 0.00 0.00 175.35 177.06 3kkx s TYR 40 N 1.76 2.31 -0.28 4.03 5.04 -1.26 -0.83 117.35 128.13 3kkx s TYR 40 Ca 0.07 0.08 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 3kkx s TYR 40 Cb -0.16 -4.15 0.07 0.00 0.35 0.00 0.00 41.96 38.07 3kkx s TYR 40 CO 0.11 -4.65 -0.07 0.34 -1.34 0.00 0.00 175.55 169.94 3kkx s ASP 41 N 2.41 4.51 0.42 4.32 -1.08 -0.34 -4.88 116.67 122.02 3kkx s ASP 41 Ca 0.79 -1.56 0.29 0.00 -0.52 0.00 0.00 52.55 51.55 3kkx s ASP 41 Cb -0.46 -1.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.85 3kkx s ASP 41 CO 0.35 -0.23 1.88 -0.65 0.52 0.00 0.00 175.17 177.04 3kkx h PRO 42 N 7.74 0.00 -0.00 4.34 0.11 -1.94 -1.84 132.00 140.41 3kkx h PRO 42 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3kkx h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3kkx h PRO 42 CO 0.47 0.00 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.01 3kkx n SER 43 N -2.58 0.62 -4.73 -2.05 3.41 -1.26 -4.79 113.62 102.24 3kkx n SER 43 Ca -0.00 -0.71 -0.42 0.00 -0.26 0.00 0.00 58.87 57.49 3kkx n SER 43 Cb 0.15 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3kkx n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kkx s LEU 44 N -2.43 4.42 0.40 1.04 1.43 -0.69 -5.03 118.68 117.82 3kkx s LEU 44 Ca 0.29 2.17 -0.06 0.00 -1.03 0.00 0.00 54.13 55.50 3kkx s LEU 44 Cb 0.20 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 3kkx s LEU 44 CO 0.47 -0.43 0.71 -0.54 0.23 0.00 0.00 176.35 176.79 3kkx s LYS 45 N 0.31 3.63 0.64 1.70 3.01 -1.24 -5.01 119.74 122.79 3kkx s LYS 45 Ca 0.56 0.20 -0.17 0.00 -1.01 0.00 0.00 55.97 55.55 3kkx s LYS 45 Cb -0.32 -2.46 -0.01 0.00 -1.01 0.00 0.00 37.83 34.03 3kkx s LYS 45 CO 0.34 -0.03 1.21 -1.25 0.51 0.00 0.00 175.35 176.12 3kkx s PRO 46 N -4.16 2.66 0.49 -1.68 0.04 -1.26 -3.14 135.00 127.95 3kkx s PRO 46 Ca 0.47 1.80 -0.23 0.00 0.04 0.00 0.00 61.00 63.09 3kkx s PRO 46 Cb -0.10 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3kkx s PRO 46 CO 0.37 -1.44 1.28 -0.51 0.04 0.00 0.00 177.00 176.73 3kkx s LEU 47 N -4.48 3.96 -0.29 -3.56 1.02 -1.26 -1.66 118.68 112.41 3kkx s LEU 47 Ca 0.76 2.57 0.03 0.00 0.02 0.00 0.00 54.13 57.51 3kkx s LEU 47 Cb -0.30 -4.21 0.07 0.00 0.02 0.00 0.00 46.19 41.77 3kkx s LEU 47 CO 0.38 -1.22 -0.05 -0.55 0.02 0.00 0.00 176.35 174.93 3kkx s SER 48 N -1.08 4.60 -0.32 2.29 0.15 -0.04 -4.84 113.70 114.47 3kkx s SER 48 Ca 0.66 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.58 3kkx s SER 48 Cb -0.35 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.35 3kkx s SER 48 CO 0.43 -0.26 0.17 -0.69 1.20 0.00 0.00 173.24 174.09 3kkx s VAL 49 N 1.06 4.75 -0.50 4.45 1.01 -1.26 -1.48 120.40 128.42 3kkx s VAL 49 Ca -0.02 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3kkx s VAL 49 Cb -0.20 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.89 3kkx s VAL 49 CO -0.06 0.06 0.25 -0.44 0.00 0.00 0.00 175.10 174.91 3kkx s SER 50 N 1.64 4.52 0.00 3.32 0.01 -0.10 -4.90 113.70 118.20 3kkx s SER 50 Ca 0.05 -2.84 0.07 0.00 1.31 0.00 0.00 55.95 54.54 3kkx s SER 50 Cb -0.17 -1.67 0.19 0.00 0.21 0.00 0.00 66.02 64.58 3kkx s SER 50 CO 0.07 -0.28 1.12 -1.22 0.41 0.00 0.00 173.24 173.35 3kkx n TYR 51 N 3.37 0.28 0.14 2.43 4.01 -1.26 -1.32 117.16 124.81 3kkx n TYR 51 Ca 0.05 -0.45 0.04 0.00 -0.16 0.00 0.00 57.90 57.38 3kkx n TYR 51 Cb 0.35 -0.03 0.44 0.00 -0.31 0.00 0.00 39.34 39.79 3kkx n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3kkx h ASP 52 N 1.37 0.18 -0.59 7.72 2.03 -1.91 -2.68 116.42 122.55 3kkx h ASP 52 Ca 0.00 -0.03 -0.12 0.00 -0.73 0.00 0.00 57.03 56.15 3kkx h ASP 52 Cb 0.62 -0.05 -0.07 0.00 -0.83 0.00 0.00 39.33 39.00 3kkx h ASP 52 CO 0.00 0.29 0.13 0.00 -1.03 0.00 0.00 179.24 178.64 3kkx n GLN 53 N -4.34 3.73 -1.82 4.15 1.13 -1.25 -5.01 117.38 113.97 3kkx n GLN 53 Ca -0.01 -3.08 -0.40 0.00 -1.94 0.00 0.00 57.00 51.58 3kkx n GLN 53 Cb 0.22 -2.14 0.02 0.00 0.11 0.00 0.00 30.24 28.45 3kkx n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kkx s ALA 54 N -2.94 3.22 -0.35 -1.58 0.00 -1.01 -4.59 121.76 114.50 3kkx s ALA 54 Ca 0.52 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.95 3kkx s ALA 54 Cb 0.42 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 20.06 3kkx s ALA 54 CO 0.12 -1.17 0.08 0.99 0.00 0.00 0.00 175.76 175.79 3kkx s THR 55 N -1.21 2.00 0.51 0.00 2.01 -1.26 -4.94 115.64 112.74 3kkx s THR 55 Ca 0.61 -2.25 -0.18 0.00 0.31 0.00 0.00 61.69 60.18 3kkx s THR 55 Cb -0.43 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 3kkx s THR 55 CO 0.55 -0.64 1.01 -0.94 -0.69 0.00 0.00 174.62 173.91 3kkx s SER 56 N 0.92 6.42 0.00 3.53 1.04 -1.26 -0.72 113.70 123.63 3kkx s SER 56 Ca 0.11 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3kkx s SER 56 Cb -0.19 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3kkx s SER 56 CO -0.10 -0.73 0.00 0.18 0.98 0.00 0.00 173.24 173.57 3kkx n LEU 57 N -1.32 1.99 -3.53 2.42 4.77 0.77 -4.16 117.00 117.96 3kkx n LEU 57 Ca 0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3kkx n LEU 57 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3kkx n LEU 57 CO 0.43 0.32 0.34 -0.60 -1.33 0.00 0.00 177.39 176.54 3kkx s ARG 58 N -1.92 1.09 -0.02 3.23 3.52 -1.19 -1.46 118.95 122.19 3kkx s ARG 58 Ca 0.00 -0.17 0.07 0.00 -0.13 0.00 0.00 55.73 55.49 3kkx s ARG 58 Cb 0.00 0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 33.88 3kkx s ARG 58 CO 0.00 -0.40 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.37 3kkx s ILE 59 N -2.43 1.73 -0.02 4.11 2.07 -0.21 -0.79 121.20 125.66 3kkx s ILE 59 Ca -0.05 -0.93 0.01 0.00 -1.41 0.00 0.00 60.65 58.26 3kkx s ILE 59 Cb -0.01 -1.44 0.02 0.00 0.13 0.00 0.00 42.46 41.16 3kkx s ILE 59 CO -0.01 0.49 -0.02 -0.22 -1.91 0.00 0.00 174.94 173.26 3kkx s LEU 60 N -0.46 1.46 -0.43 8.50 2.96 -0.29 -0.99 118.68 129.43 3kkx s LEU 60 Ca 0.07 -0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.70 3kkx s LEU 60 Cb -0.09 -0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.35 3kkx s LEU 60 CO -0.00 -0.04 0.72 0.21 -1.32 0.00 0.00 176.35 175.91 3kkx s ASN 61 N 0.65 6.39 -0.02 3.68 3.84 -0.48 -0.72 114.94 128.28 3kkx s ASN 61 Ca -0.07 -0.13 0.19 0.00 0.21 0.00 0.00 52.86 53.05 3kkx s ASN 61 Cb -0.10 -2.36 0.58 0.00 -0.55 0.00 0.00 41.25 38.82 3kkx s ASN 61 CO -0.01 -0.82 1.48 -0.46 -2.79 0.00 0.00 177.10 174.50 3kkx n ASN 62 N 6.46 3.57 0.00 -4.21 0.23 -0.83 -0.36 115.26 120.12 3kkx n ASN 62 Ca 0.01 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 3kkx n ASN 62 Cb 0.48 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3kkx n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kkx n GLY 63 N 1.42 2.10 0.00 4.83 0.00 -1.26 -4.79 105.19 107.49 3kkx n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3kkx n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kkx n HIS 64 N -2.00 0.00 -3.56 1.61 1.44 -1.26 -4.70 115.22 106.75 3kkx n HIS 64 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 3kkx n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 3kkx n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kkx n ALA 65 N -0.86 -1.10 -2.43 1.59 0.00 -1.26 -4.91 120.51 111.53 3kkx n ALA 65 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 3kkx n ALA 65 Cb 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 3kkx n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3kkx s PHE 66 N -4.71 2.53 -0.13 0.00 -0.12 -1.26 -1.96 117.98 112.34 3kkx s PHE 66 Ca 0.09 -0.31 -0.00 0.00 -0.05 0.00 0.00 56.93 56.66 3kkx s PHE 66 Cb -0.02 -1.58 -0.02 0.00 -0.63 0.00 0.00 43.02 40.78 3kkx s PHE 66 CO 0.03 0.06 -0.12 -0.80 -0.05 0.00 0.00 175.22 174.35 3kkx s ASN 67 N -0.63 4.15 -0.27 1.98 0.01 0.10 -4.25 114.94 116.04 3kkx s ASN 67 Ca 0.10 -0.28 -0.17 0.00 -0.71 0.00 0.00 52.86 51.79 3kkx s ASN 67 Cb -0.11 -1.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.94 3kkx s ASN 67 CO 0.00 0.18 0.48 -0.69 -1.51 0.00 0.00 177.10 175.56 3kkx s VAL 68 N 0.26 5.09 -0.06 1.60 1.01 0.13 -1.14 120.40 127.29 3kkx s VAL 68 Ca -0.08 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 3kkx s VAL 68 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3kkx s VAL 68 CO 0.05 0.09 0.12 -1.61 0.00 0.00 0.00 175.10 173.75 3kkx s GLU 69 N 2.26 3.30 0.25 2.72 2.02 0.03 -1.51 118.70 127.76 3kkx s GLU 69 Ca 0.20 -0.29 0.11 0.00 0.02 0.00 0.00 54.97 55.00 3kkx s GLU 69 Cb -0.16 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 3kkx s GLU 69 CO 0.09 0.71 -0.12 -0.06 0.02 0.00 0.00 175.26 175.91 3kkx s PHE 70 N -1.12 2.48 -0.18 1.61 0.40 -0.51 -0.16 117.98 120.50 3kkx s PHE 70 Ca 0.20 -0.28 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 3kkx s PHE 70 Cb -0.12 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 3kkx s PHE 70 CO 0.10 0.62 1.35 0.34 0.70 0.00 0.00 175.22 178.33 3kkx s ASP 71 N -3.33 6.82 -0.24 1.36 2.15 0.10 -4.84 116.67 118.69 3kkx s ASP 71 Ca 0.28 1.68 0.10 0.00 0.43 0.00 0.00 52.55 55.05 3kkx s ASP 71 Cb -0.07 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.47 3kkx s ASP 71 CO 0.16 -0.88 1.29 -0.90 -0.17 0.00 0.00 175.17 174.68 3kkx n ASP 72 N 6.99 2.00 -0.17 -0.34 5.75 -1.26 -4.66 116.55 124.86 3kkx n ASP 72 Ca 0.15 -3.88 0.14 0.00 -0.01 0.00 0.00 54.79 51.19 3kkx n ASP 72 Cb 0.45 -0.56 0.54 0.00 -1.03 0.00 0.00 41.12 40.52 3kkx n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3kkx n SER 73 N -1.11 0.69 -3.89 -1.12 3.41 -1.26 -4.88 113.62 105.45 3kkx n SER 73 Ca 0.24 -0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 58.04 3kkx n SER 73 Cb 0.80 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 3kkx n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kkx s GLN 74 N -2.46 1.08 -1.09 4.33 -0.21 -1.26 -5.08 119.66 114.97 3kkx s GLN 74 Ca 0.28 -1.06 -0.20 0.00 0.02 0.00 0.00 55.36 54.40 3kkx s GLN 74 Cb 0.20 0.38 -0.07 0.00 1.00 0.00 0.00 33.01 34.53 3kkx s GLN 74 CO 0.48 -0.39 1.96 -0.25 -2.12 0.00 0.00 175.29 174.97 3kkx n ASP 75 N -0.18 3.29 -0.14 5.90 10.43 -1.26 -4.59 116.55 130.00 3kkx n ASP 75 Ca -0.10 -2.75 -0.27 0.00 2.57 0.00 0.00 54.79 54.23 3kkx n ASP 75 Cb 0.63 -1.48 -0.10 0.00 1.84 0.00 0.00 41.12 42.01 3kkx n ASP 75 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3kkx n LYS 76 N 7.37 0.60 -4.00 -1.24 5.02 -1.26 -4.86 118.16 119.79 3kkx n LYS 76 Ca 0.49 0.24 -0.31 0.00 -2.02 0.00 0.00 58.31 56.70 3kkx n LYS 76 Cb 0.43 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 3kkx n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kkx s ALA 77 N -2.51 2.47 0.14 7.82 0.00 -1.26 -3.81 121.76 124.61 3kkx s ALA 77 Ca -0.38 -1.92 0.07 0.00 0.00 0.00 0.00 51.96 49.73 3kkx s ALA 77 Cb 0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3kkx s ALA 77 CO 0.52 -1.39 -0.15 0.14 0.00 0.00 0.00 175.76 174.88 3kkx s VAL 78 N 1.14 1.50 -0.12 0.00 -7.23 -0.44 -0.97 120.40 114.27 3kkx s VAL 78 Ca -0.01 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3kkx s VAL 78 Cb -0.19 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 3kkx s VAL 78 CO -0.08 -0.43 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.91 3kkx s LEU 79 N -2.64 2.56 0.22 1.32 2.96 0.08 -0.92 118.68 122.26 3kkx s LEU 79 Ca 0.13 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3kkx s LEU 79 Cb -0.04 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3kkx s LEU 79 CO 0.04 0.16 0.18 -0.54 -1.32 0.00 0.00 176.35 174.87 3kkx s LYS 80 N 0.34 1.29 2.57 1.98 1.02 -0.55 -1.72 119.74 124.68 3kkx s LYS 80 Ca -0.13 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.23 3kkx s LYS 80 Cb -0.16 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 3kkx s LYS 80 CO 0.07 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 3kkx n GLY 81 N -0.31 -0.83 7.00 -3.33 0.00 -1.26 -0.86 105.19 105.60 3kkx n GLY 81 Ca 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3kkx n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kkx n GLY 82 N 0.00 3.01 0.37 -0.02 0.00 -0.66 -1.07 105.19 106.81 3kkx n GLY 82 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3kkx n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kkx n PRO 83 N 14.00 1.49 -3.23 1.61 -0.04 -1.26 -3.61 135.00 143.96 3kkx n PRO 83 Ca 0.00 -0.73 -0.33 0.00 -0.04 0.00 0.00 63.50 62.41 3kkx n PRO 83 Cb 0.00 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 3kkx n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kkx s LEU 84 N -1.75 4.14 -0.20 1.53 1.43 -0.23 -5.07 118.68 118.52 3kkx s LEU 84 Ca 0.35 1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 54.58 3kkx s LEU 84 Cb 0.18 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 3kkx s LEU 84 CO 0.29 -0.13 0.02 -1.81 0.23 0.00 0.00 176.35 174.95 3kkx s ASP 85 N -2.20 4.99 0.00 2.29 1.01 -1.26 -4.32 116.67 117.18 3kkx s ASP 85 Ca 0.50 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.61 3kkx s ASP 85 Cb -0.11 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 41.96 3kkx s ASP 85 CO 0.19 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.26 3kkx n GLY 86 N 4.14 -3.58 3.51 0.21 0.00 -1.26 -4.95 105.19 103.27 3kkx n GLY 86 Ca -0.17 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 3kkx n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kkx s THR 87 N -0.83 3.93 -0.15 2.61 2.01 -1.26 -4.57 115.64 117.37 3kkx s THR 87 Ca 0.00 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3kkx s THR 87 Cb 0.00 -2.72 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 3kkx s THR 87 CO 0.00 0.50 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.97 3kkx s TYR 88 N 0.30 2.78 -0.05 4.92 1.51 -0.70 -1.29 117.35 124.82 3kkx s TYR 88 Ca -0.03 -1.00 -0.17 0.00 -1.01 0.00 0.00 57.07 54.86 3kkx s TYR 88 Cb -0.14 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 3kkx s TYR 88 CO 0.03 -0.45 0.44 1.03 -1.11 0.00 0.00 175.55 175.49 3kkx s ARG 89 N 0.76 4.14 0.07 -0.62 0.52 0.08 -0.74 118.95 123.17 3kkx s ARG 89 Ca -0.06 0.44 -0.31 0.00 -0.52 0.00 0.00 55.73 55.28 3kkx s ARG 89 Cb -0.15 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.92 3kkx s ARG 89 CO 0.01 0.44 1.45 -1.17 0.02 0.00 0.00 175.30 176.04 3kkx s LEU 90 N -0.27 4.35 -0.09 2.53 2.96 -0.14 -1.13 118.68 126.89 3kkx s LEU 90 Ca 0.25 2.30 0.04 0.00 -0.22 0.00 0.00 54.13 56.49 3kkx s LEU 90 Cb -0.16 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3kkx s LEU 90 CO 0.12 -0.73 -0.03 0.00 -1.32 0.00 0.00 176.35 174.39 3kkx n ILE 91 N 4.33 0.55 -3.48 6.68 3.06 -0.46 -4.52 119.36 125.53 3kkx n ILE 91 Ca 0.13 -0.27 -0.11 0.00 -2.50 0.00 0.00 62.75 60.00 3kkx n ILE 91 Cb 0.42 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.75 3kkx n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kkx s GLN 92 N -2.19 1.00 0.16 9.51 1.03 -1.21 -1.43 119.66 126.52 3kkx s GLN 92 Ca -0.09 -0.30 0.06 0.00 0.04 0.00 0.00 55.36 55.07 3kkx s GLN 92 Cb 0.03 0.46 -0.04 0.00 0.03 0.00 0.00 33.01 33.49 3kkx s GLN 92 CO 0.27 -0.42 -0.13 -0.59 -2.54 0.00 0.00 175.29 171.89 3kkx s PHE 93 N -3.11 1.45 0.28 9.60 -0.12 -0.57 -0.87 117.98 124.65 3kkx s PHE 93 Ca 0.02 -0.65 -0.17 0.00 -0.05 0.00 0.00 56.93 56.08 3kkx s PHE 93 Cb -0.01 -0.72 0.02 0.00 -0.63 0.00 0.00 43.02 41.68 3kkx s PHE 93 CO -0.09 0.19 0.64 -3.38 -0.05 0.00 0.00 175.22 172.54 3kkx s HIS 94 N -2.95 0.08 0.25 3.49 -3.43 -0.61 -0.69 115.29 111.42 3kkx s HIS 94 Ca 0.17 -0.52 0.10 0.00 -0.80 0.00 0.00 55.06 54.01 3kkx s HIS 94 Cb -0.00 0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 31.63 3kkx s HIS 94 CO 0.03 -1.20 -0.16 -0.06 -2.00 0.00 0.00 174.74 171.35 3kkx s PHE 95 N -3.72 2.00 -0.03 0.38 0.40 -1.26 -0.65 117.98 115.09 3kkx s PHE 95 Ca 0.16 -0.47 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 3kkx s PHE 95 Cb -0.04 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 3kkx s PHE 95 CO 0.09 0.52 -0.23 -1.01 0.70 0.00 0.00 175.22 175.29 3kkx s HIS 96 N -2.76 2.12 0.24 0.36 3.76 -0.12 -4.74 115.29 114.15 3kkx s HIS 96 Ca 0.26 -0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 54.56 3kkx s HIS 96 Cb -0.02 -1.38 -0.01 0.00 1.11 0.00 0.00 32.58 32.27 3kkx s HIS 96 CO 0.11 -0.11 0.42 1.67 -0.85 0.00 0.00 174.74 175.98 3kkx s TRP 97 N -0.35 0.47 0.49 1.40 -2.14 -1.22 -0.84 118.94 116.75 3kkx s TRP 97 Ca 0.04 -0.81 0.07 0.00 2.66 0.00 0.00 56.10 58.05 3kkx s TRP 97 Cb -0.11 0.07 0.02 0.00 -3.10 0.00 0.00 33.47 30.36 3kkx s TRP 97 CO 0.01 -0.93 0.47 0.20 -2.66 0.00 0.00 176.95 174.04 3kkx s GLY 98 N -3.03 2.13 0.30 3.67 0.00 -1.19 -0.61 107.32 108.58 3kkx s GLY 98 Ca 0.24 -1.71 0.24 0.00 0.00 0.00 0.00 44.72 43.49 3kkx s GLY 98 CO 0.09 -1.77 1.53 1.48 0.00 0.00 0.00 173.10 174.43 3kkx h SER 99 N 0.75 0.00 -5.02 1.64 4.64 -1.89 -3.39 113.55 110.28 3kkx h SER 99 Ca -0.37 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 3kkx h SER 99 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 3kkx h SER 99 CO 0.54 0.01 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.06 3kkx s LEU 100 N -5.33 2.37 0.60 5.97 1.43 -1.26 -5.06 118.68 117.40 3kkx s LEU 100 Ca 0.07 -0.76 0.37 0.00 -1.03 0.00 0.00 54.13 52.77 3kkx s LEU 100 Cb 0.09 0.09 1.92 0.00 0.03 0.00 0.00 46.19 48.32 3kkx s LEU 100 CO 0.67 -0.43 2.21 0.44 0.23 0.00 0.00 176.35 179.47 3kkx h ASP 101 N 3.84 0.00 -0.07 2.29 3.32 -1.93 -2.68 116.42 121.19 3kkx h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3kkx h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3kkx h ASP 101 CO 0.54 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 3kkx n GLY 102 N -0.76 -0.60 3.56 2.75 0.00 -1.26 -3.70 105.19 105.18 3kkx n GLY 102 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3kkx n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kkx s GLN 103 N -1.90 1.43 0.00 1.61 -2.07 -1.01 -4.71 119.66 113.01 3kkx s GLN 103 Ca 0.15 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 3kkx s GLN 103 Cb 0.07 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.54 3kkx s GLN 103 CO 0.12 -0.62 0.00 0.41 -1.32 0.00 0.00 175.29 173.88 3kkx n GLY 104 N -0.37 2.17 3.81 2.60 0.00 -1.05 -3.23 105.19 109.13 3kkx n GLY 104 Ca -0.10 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3kkx n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kkx s SER 105 N 0.00 5.31 -0.16 1.61 1.04 -0.36 -3.44 113.70 117.69 3kkx s SER 105 Ca 0.00 1.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.97 3kkx s SER 105 Cb 0.00 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.56 3kkx s SER 105 CO 0.00 -1.49 -0.20 -0.62 0.98 0.00 0.00 173.24 171.91 3kkx n GLU 106 N -3.05 0.49 -1.74 4.02 1.02 -1.26 -4.85 120.64 115.26 3kkx n GLU 106 Ca 0.08 0.43 -0.33 0.00 -0.02 0.00 0.00 57.16 57.32 3kkx n GLU 106 Cb 0.53 -1.62 0.05 0.00 -0.02 0.00 0.00 31.44 30.39 3kkx n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3kkx s HIS 107 N -2.45 2.50 0.15 -0.32 3.76 -1.26 -4.35 115.29 113.32 3kkx s HIS 107 Ca -0.21 1.56 0.05 0.00 -0.15 0.00 0.00 55.06 56.32 3kkx s HIS 107 Cb 0.03 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 3kkx s HIS 107 CO 0.32 -1.87 -0.12 0.95 -0.85 0.00 0.00 174.74 173.17 3kkx s THR 108 N -2.20 1.32 -0.19 1.30 -4.23 -1.19 -4.68 115.64 105.76 3kkx s THR 108 Ca 0.69 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 3kkx s THR 108 Cb -0.23 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 71.84 3kkx s THR 108 CO 0.41 -0.65 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.04 3kkx s VAL 109 N -3.00 1.61 -1.51 2.29 1.01 -0.63 -0.44 120.40 119.73 3kkx s VAL 109 Ca 0.16 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3kkx s VAL 109 Cb 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.79 3kkx s VAL 109 CO 0.02 0.22 0.60 0.47 0.00 0.00 0.00 175.10 176.41 3kkx n ASP 110 N 4.71 -1.71 0.00 3.32 8.00 -0.19 -0.46 116.55 130.23 3kkx n ASP 110 Ca -0.15 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3kkx n ASP 110 Cb 0.47 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.50 3kkx n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kkx n LYS 111 N -4.42 -0.20 -2.45 -1.24 4.76 -1.26 -4.98 118.16 108.37 3kkx n LYS 111 Ca -0.16 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3kkx n LYS 111 Cb 0.61 -3.79 -0.03 0.00 -1.84 0.00 0.00 35.03 29.98 3kkx n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kkx s LYS 112 N -0.70 4.43 0.02 1.97 2.20 0.39 -5.01 119.74 123.05 3kkx s LYS 112 Ca 0.00 1.73 -0.11 0.00 -0.36 0.00 0.00 55.97 57.23 3kkx s LYS 112 Cb 0.00 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 3kkx s LYS 112 CO 0.00 -0.28 0.36 0.15 -0.36 0.00 0.00 175.35 175.22 3kkx s LYS 113 N 1.26 3.75 0.40 4.03 1.02 -1.26 -1.60 119.74 127.34 3kkx s LYS 113 Ca 0.58 0.19 0.08 0.00 0.02 0.00 0.00 55.97 56.83 3kkx s LYS 113 Cb -0.28 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 3kkx s LYS 113 CO 0.28 0.64 0.51 0.71 -0.92 0.00 0.00 175.35 176.56 3kkx s TYR 114 N -1.25 2.83 0.27 3.18 2.02 -1.26 -4.73 117.35 118.42 3kkx s TYR 114 Ca 0.28 -0.39 0.16 0.00 -0.37 0.00 0.00 57.07 56.75 3kkx s TYR 114 Cb -0.15 -2.27 0.68 0.00 -0.40 0.00 0.00 41.96 39.83 3kkx s TYR 114 CO 0.15 -0.29 1.76 0.00 -1.57 0.00 0.00 175.55 175.60 3kkx h ALA 115 N 0.77 1.11 -2.69 3.71 0.00 -1.49 -0.89 119.26 119.78 3kkx h ALA 115 Ca -0.41 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.24 3kkx h ALA 115 Cb 1.27 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3kkx h ALA 115 CO 0.49 0.51 0.35 0.00 0.00 0.00 0.00 179.25 180.60 3kkx s ALA 116 N -3.80 -1.44 -0.06 0.00 0.00 -1.16 -3.19 121.76 112.10 3kkx s ALA 116 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3kkx s ALA 116 Cb 0.12 0.75 0.04 0.00 0.00 0.00 0.00 23.12 24.03 3kkx s ALA 116 CO 0.71 -1.02 0.13 -2.00 0.00 0.00 0.00 175.76 173.57 3kkx s GLU 117 N -3.62 0.07 -0.15 0.00 2.12 -0.02 -1.28 118.70 115.83 3kkx s GLU 117 Ca 0.11 0.34 -0.15 0.00 0.36 0.00 0.00 54.97 55.63 3kkx s GLU 117 Cb -0.04 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 3kkx s GLU 117 CO 0.04 -0.16 0.36 -1.17 -0.54 0.00 0.00 175.26 173.78 3kkx s LEU 118 N 1.14 4.25 -0.24 2.70 2.96 0.98 -0.94 118.68 129.53 3kkx s LEU 118 Ca -0.09 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 3kkx s LEU 118 Cb -0.12 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3kkx s LEU 118 CO -0.05 0.06 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.96 3kkx s HIS 119 N 0.57 3.04 -0.38 5.38 3.76 0.18 -0.85 115.29 126.98 3kkx s HIS 119 Ca 0.20 -1.52 -0.15 0.00 -0.15 0.00 0.00 55.06 53.43 3kkx s HIS 119 Cb -0.14 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.51 3kkx s HIS 119 CO 0.06 -0.72 0.34 -0.51 -0.85 0.00 0.00 174.74 173.06 3kkx s LEU 120 N 1.33 4.78 -0.22 0.89 1.02 -0.16 -1.58 118.68 124.75 3kkx s LEU 120 Ca 0.01 -0.60 -0.10 0.00 0.02 0.00 0.00 54.13 53.46 3kkx s LEU 120 Cb -0.16 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 3kkx s LEU 120 CO -0.05 -0.42 0.13 -0.69 0.02 0.00 0.00 176.35 175.34 3kkx s VAL 121 N 1.89 5.26 0.06 -1.59 1.01 -0.05 -1.52 120.40 125.46 3kkx s VAL 121 Ca 0.09 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.27 3kkx s VAL 121 Cb -0.18 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3kkx s VAL 121 CO 0.11 0.40 -0.17 -1.00 0.00 0.00 0.00 175.10 174.44 3kkx s HIS 122 N 0.69 1.49 0.12 5.22 3.76 -0.17 -1.35 115.29 125.05 3kkx s HIS 122 Ca 0.07 -0.40 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 3kkx s HIS 122 Cb -0.12 -0.86 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 3kkx s HIS 122 CO 0.01 0.09 -0.24 1.67 -0.85 0.00 0.00 174.74 175.43 3kkx s TRP 123 N -1.01 2.09 -0.22 1.40 1.48 -0.28 -0.93 118.94 121.47 3kkx s TRP 123 Ca 0.03 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 3kkx s TRP 123 Cb -0.09 -1.13 -0.00 0.00 -1.16 0.00 0.00 33.47 31.09 3kkx s TRP 123 CO 0.02 0.30 1.20 1.21 -4.06 0.00 0.00 176.95 175.62 3kkx s ASN 124 N -2.07 6.92 0.56 -2.66 3.84 0.42 -0.74 114.94 121.22 3kkx s ASN 124 Ca 0.12 1.45 0.37 0.00 0.21 0.00 0.00 52.86 55.01 3kkx s ASN 124 Cb -0.10 -2.54 1.82 0.00 -0.55 0.00 0.00 41.25 39.89 3kkx s ASN 124 CO 0.06 -0.82 2.12 0.71 -2.79 0.00 0.00 177.10 176.37 3kkx h THR 125 N 5.61 0.00 0.00 -5.21 1.35 -1.54 -1.80 112.91 111.32 3kkx h THR 125 Ca -0.24 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3kkx h THR 125 Cb 1.09 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3kkx h THR 125 CO 0.99 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.33 3kkx h LYS 127 N 0.00 0.00 -0.06 4.72 2.10 -1.91 -1.91 116.57 119.51 3kkx h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kkx h LYS 127 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3kkx h LYS 127 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3kkx n TYR 128 N -2.94 0.05 0.00 0.07 4.01 -0.68 -4.97 117.16 112.70 3kkx n TYR 128 Ca -0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3kkx n TYR 128 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3kkx n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kkx n GLY 129 N 1.25 1.88 3.50 2.72 0.00 -0.72 -4.54 105.19 109.27 3kkx n GLY 129 Ca 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3kkx n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kkx s ASP 130 N 0.00 -0.22 0.23 1.61 1.47 -1.26 -5.06 116.67 113.44 3kkx s ASP 130 Ca 0.00 -0.53 -0.06 0.00 1.18 0.00 0.00 52.55 53.15 3kkx s ASP 130 Cb 0.00 0.56 0.23 0.00 -0.34 0.00 0.00 42.92 43.37 3kkx s ASP 130 CO 0.00 -1.03 1.79 0.15 0.68 0.00 0.00 175.17 176.76 3kkx h PHE 131 N 2.24 1.11 -0.07 2.11 3.57 -1.95 -1.69 116.94 122.26 3kkx h PHE 131 Ca -0.29 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.07 3kkx h PHE 131 Cb 1.26 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3kkx h PHE 131 CO 0.36 0.86 -0.17 0.78 -2.23 0.00 0.00 178.31 177.91 3kkx h GLY 132 N 1.10 0.12 1.06 2.40 0.00 -1.97 -2.01 103.07 103.78 3kkx h GLY 132 Ca 0.24 -0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.25 3kkx h GLY 132 CO -0.01 0.07 -0.99 0.50 0.00 0.00 0.00 176.54 176.11 3kkx h LYS 133 N 0.10 0.57 -0.72 4.80 1.79 -1.76 -3.33 116.57 118.03 3kkx h LYS 133 Ca 0.02 -0.69 0.06 0.00 -2.18 0.00 0.00 60.65 57.86 3kkx h LYS 133 Cb 0.37 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.19 3kkx h LYS 133 CO 0.02 1.29 0.47 0.00 -1.08 0.00 0.00 179.45 180.15 3kkx h ALA 134 N 0.31 1.68 0.00 3.86 0.00 -0.77 -1.75 119.26 122.59 3kkx h ALA 134 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kkx h ALA 134 Cb 1.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kkx h ALA 134 CO 0.19 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.99 3kkx n VAL 135 N -4.47 0.58 1.23 0.00 0.24 -0.81 -1.77 118.33 113.33 3kkx n VAL 135 Ca 0.10 0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.64 3kkx n VAL 135 Cb 0.20 -0.82 0.35 0.00 -1.47 0.00 0.00 33.84 32.10 3kkx n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kkx n GLN 136 N -1.41 1.68 -5.01 7.34 6.02 -0.66 -4.69 117.38 120.66 3kkx n GLN 136 Ca 0.06 -1.04 -0.31 0.00 -0.01 0.00 0.00 57.00 55.71 3kkx n GLN 136 Cb 0.19 -1.36 -0.15 0.00 1.02 0.00 0.00 30.24 29.94 3kkx n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kkx s GLN 137 N -1.76 2.01 0.62 -1.09 -1.52 -0.73 -5.03 119.66 112.15 3kkx s GLN 137 Ca 0.30 -0.99 0.40 0.00 -1.95 0.00 0.00 55.36 53.12 3kkx s GLN 137 Cb 0.16 -2.07 1.97 0.00 -0.22 0.00 0.00 33.01 32.85 3kkx s GLN 137 CO 0.24 0.54 2.20 -1.00 -0.25 0.00 0.00 175.29 177.03 3kkx h PRO 138 N 5.04 0.00 -0.16 2.91 0.13 -1.86 -2.00 132.00 136.05 3kkx h PRO 138 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3kkx h PRO 138 Cb 1.14 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 3kkx h PRO 138 CO 0.46 0.00 -0.47 -0.40 -0.23 0.00 0.00 178.00 177.36 3kkx n ASP 139 N -3.09 2.31 0.11 1.44 5.75 -1.26 -4.23 116.55 117.58 3kkx n ASP 139 Ca -0.01 -3.87 -0.17 0.00 -0.01 0.00 0.00 54.79 50.72 3kkx n ASP 139 Cb 0.17 -0.52 -0.14 0.00 -1.03 0.00 0.00 41.12 39.60 3kkx n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3kkx h GLY 140 N 1.17 0.35 -3.41 6.12 0.00 -1.19 -3.43 103.07 102.68 3kkx h GLY 140 Ca 0.09 -0.90 -0.62 0.00 0.00 0.00 0.00 47.33 45.90 3kkx h GLY 140 CO 0.17 0.79 -0.82 1.08 0.00 0.00 0.00 176.54 177.76 3kkx s LEU 141 N -7.21 2.41 -0.08 3.11 1.43 0.03 -0.43 118.68 117.92 3kkx s LEU 141 Ca -0.05 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.24 3kkx s LEU 141 Cb 0.07 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.23 3kkx s LEU 141 CO 0.89 0.09 -0.12 0.00 0.23 0.00 0.00 176.35 177.44 3kkx s ALA 142 N -1.61 1.36 -0.15 4.21 0.00 -0.10 -1.07 121.76 124.40 3kkx s ALA 142 Ca 0.17 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3kkx s ALA 142 Cb -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3kkx s ALA 142 CO 0.08 -0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.70 3kkx s VAL 143 N 0.94 2.32 -0.25 0.00 1.01 -0.87 -1.00 120.40 122.55 3kkx s VAL 143 Ca -0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 3kkx s VAL 143 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3kkx s VAL 143 CO 0.00 0.53 0.72 -0.22 0.00 0.00 0.00 175.10 176.13 3kkx s LEU 144 N 0.81 4.07 -0.16 3.92 2.96 -0.58 -1.26 118.68 128.45 3kkx s LEU 144 Ca -0.06 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.64 3kkx s LEU 144 Cb -0.15 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 3kkx s LEU 144 CO -0.01 -0.44 0.01 -0.83 -1.32 0.00 0.00 176.35 173.75 3kkx s GLY 145 N 1.42 1.81 -0.06 7.98 0.00 0.07 -0.99 107.32 117.54 3kkx s GLY 145 Ca 0.30 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.25 3kkx s GLY 145 CO 0.08 -0.07 -0.10 -0.42 0.00 0.00 0.00 173.10 172.59 3kkx s ILE 146 N 0.25 1.01 0.31 0.90 1.01 -0.03 -1.24 121.20 123.40 3kkx s ILE 146 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 3kkx s ILE 146 Cb -0.13 -0.94 -0.10 0.00 0.01 0.00 0.00 42.46 41.31 3kkx s ILE 146 CO 0.02 0.33 0.96 -0.36 0.00 0.00 0.00 174.94 175.88 3kkx s PHE 147 N 0.73 3.71 -0.16 3.97 0.08 -1.26 -0.02 117.98 125.04 3kkx s PHE 147 Ca -0.14 1.80 -0.04 0.00 0.12 0.00 0.00 56.93 58.67 3kkx s PHE 147 Cb -0.15 -2.96 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 3kkx s PHE 147 CO 0.03 0.17 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.77 3kkx s LEU 148 N -1.91 3.22 0.14 -0.37 1.02 -0.41 -0.89 118.68 119.48 3kkx s LEU 148 Ca 0.49 -0.16 0.09 0.00 0.02 0.00 0.00 54.13 54.57 3kkx s LEU 148 Cb -0.21 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 3kkx s LEU 148 CO 0.26 0.15 -0.14 -1.59 0.02 0.00 0.00 176.35 175.05 3kkx s LYS 149 N 0.48 1.91 -0.06 1.70 -2.85 -0.27 -2.05 119.74 118.60 3kkx s LYS 149 Ca -0.03 -1.22 -0.22 0.00 -1.00 0.00 0.00 55.97 53.50 3kkx s LYS 149 Cb -0.14 -2.14 -0.04 0.00 -2.06 0.00 0.00 37.83 33.45 3kkx s LYS 149 CO 0.03 0.46 0.63 0.08 0.10 0.00 0.00 175.35 176.65 3kkx s VAL 150 N -1.40 5.04 0.00 1.79 1.01 -1.26 -1.10 120.40 124.48 3kkx s VAL 150 Ca 0.21 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3kkx s VAL 150 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3kkx s VAL 150 CO 0.12 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3kkx n GLY 151 N 2.99 0.03 3.78 4.51 0.00 0.36 -4.89 105.19 111.98 3kkx n GLY 151 Ca -0.04 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 3kkx n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kkx s SER 152 N 2.00 5.74 0.67 1.61 0.01 -1.26 -4.05 113.70 118.42 3kkx s SER 152 Ca 0.00 2.05 -0.15 0.00 1.31 0.00 0.00 55.95 59.16 3kkx s SER 152 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3kkx s SER 152 CO 0.00 -1.20 1.14 0.00 0.41 0.00 0.00 173.24 173.59 3kkx s ALA 153 N -2.01 2.39 -0.38 1.44 0.00 -1.26 -2.48 121.76 119.47 3kkx s ALA 153 Ca 0.69 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 3kkx s ALA 153 Cb -0.21 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.61 3kkx s ALA 153 CO 0.29 -1.41 0.18 0.21 0.00 0.00 0.00 175.76 175.04 3kkx s LYS 154 N -4.01 2.63 0.24 0.00 2.47 -1.24 -4.80 119.74 115.03 3kkx s LYS 154 Ca 0.69 -1.28 -0.05 0.00 -1.56 0.00 0.00 55.97 53.78 3kkx s LYS 154 Cb -0.23 -3.63 0.40 0.00 -1.46 0.00 0.00 37.83 32.91 3kkx s LYS 154 CO 0.42 -0.78 1.80 -1.35 0.16 0.00 0.00 175.35 175.59 3kkx h PRO 155 N 8.32 0.70 0.00 4.03 0.11 -1.91 -0.74 132.00 142.50 3kkx h PRO 155 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kkx h PRO 155 Cb 1.09 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kkx h PRO 155 CO 0.67 0.46 0.00 0.41 -0.21 0.00 0.00 178.00 179.33 3kkx n GLY 156 N -1.32 -0.83 0.02 -0.55 0.00 -1.26 -2.24 105.19 99.02 3kkx n GLY 156 Ca 0.13 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kkx n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kkx n LEU 157 N -1.08 0.49 -0.05 0.99 7.94 -0.29 -4.57 117.00 120.43 3kkx n LEU 157 Ca 0.16 -0.08 0.02 0.00 -1.11 0.00 0.00 56.01 54.99 3kkx n LEU 157 Cb 0.11 -0.04 0.34 0.00 0.53 0.00 0.00 43.42 44.36 3kkx n LEU 157 CO 0.15 0.05 1.11 -0.61 -1.11 0.00 0.00 177.39 176.98 3kkx h GLN 158 N 0.00 0.65 -0.34 1.96 5.75 -1.47 -1.18 115.11 120.48 3kkx h GLN 158 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3kkx h GLN 158 Cb 0.80 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 3kkx h GLN 158 CO 0.00 0.50 0.15 0.87 -2.65 0.00 0.00 178.83 177.70 3kkx h LYS 159 N 0.66 0.47 -0.09 1.69 1.57 -1.80 0.23 116.57 119.29 3kkx h LYS 159 Ca 0.17 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3kkx h LYS 159 Cb 0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3kkx h LYS 159 CO -0.03 0.38 -0.13 0.28 -0.57 0.00 0.00 179.45 179.39 3kkx h VAL 160 N 0.48 1.38 -0.96 0.50 2.07 -1.54 -3.18 116.25 115.00 3kkx h VAL 160 Ca 0.12 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.36 3kkx h VAL 160 Cb 0.07 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3kkx h VAL 160 CO -0.02 0.38 0.62 0.58 0.02 0.00 0.00 177.57 179.16 3kkx h VAL 161 N -0.18 1.10 0.00 2.57 2.07 -0.89 -2.54 116.25 118.38 3kkx h VAL 161 Ca 0.01 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3kkx h VAL 161 Cb 0.67 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3kkx h VAL 161 CO 0.03 0.21 -0.13 0.44 0.02 0.00 0.00 177.57 178.14 3kkx h ASP 162 N 1.14 0.00 0.33 0.57 3.32 -0.97 -2.93 116.42 117.88 3kkx h ASP 162 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3kkx h ASP 162 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kkx h ASP 162 CO -0.15 0.13 -0.27 0.55 -1.72 0.00 0.00 179.24 177.78 3kkx n VAL 163 N -3.26 0.00 0.21 -1.35 3.14 -0.96 -4.40 118.33 111.71 3kkx n VAL 163 Ca 0.00 -0.09 0.06 0.00 -2.96 0.00 0.00 64.34 61.36 3kkx n VAL 163 Cb 0.38 0.26 0.48 0.00 -1.06 0.00 0.00 33.84 33.90 3kkx n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3kkx h LEU 164 N 0.83 0.00 -2.40 6.55 3.38 -1.52 -0.39 115.31 121.77 3kkx h LEU 164 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kkx h LEU 164 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kkx h LEU 164 CO 0.00 0.27 -0.01 0.44 0.09 0.00 0.00 178.44 179.23 3kkx h ASP 165 N 0.00 0.00 0.47 -0.43 3.32 -1.80 -1.20 116.42 116.78 3kkx h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kkx h ASP 165 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3kkx h ASP 165 CO 0.04 0.01 -0.26 -1.54 -1.72 0.00 0.00 179.24 175.77 3kkx n SER 166 N -3.86 0.54 -2.47 6.45 3.41 -0.16 -3.90 113.62 113.63 3kkx n SER 166 Ca -0.03 -0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 58.06 3kkx n SER 166 Cb 0.10 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3kkx n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3kkx n ILE 167 N -1.15 1.84 -0.10 -1.33 -5.35 -0.47 -4.75 119.36 108.05 3kkx n ILE 167 Ca 0.10 -3.74 0.01 0.00 -0.27 0.00 0.00 62.75 58.85 3kkx n ILE 167 Cb 0.32 -0.08 0.30 0.00 -1.74 0.00 0.00 39.64 38.44 3kkx n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3kkx h LYS 168 N 2.52 0.76 -6.14 6.28 3.64 -1.64 -3.42 116.57 118.57 3kkx h LYS 168 Ca 0.12 -0.08 -0.59 0.00 -1.27 0.00 0.00 60.65 58.83 3kkx h LYS 168 Cb 1.28 -0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.84 3kkx h LYS 168 CO 0.55 0.57 -0.68 0.95 -2.27 0.00 0.00 179.45 178.57 3kkx s THR 169 N -5.50 2.83 0.20 1.00 -4.23 -1.26 -0.58 115.64 108.10 3kkx s THR 169 Ca -0.09 -2.11 -0.32 0.00 -1.18 0.00 0.00 61.69 57.98 3kkx s THR 169 Cb 0.17 -2.64 -0.13 0.00 1.34 0.00 0.00 72.50 71.24 3kkx s THR 169 CO 0.77 -0.33 1.62 1.17 -0.54 0.00 0.00 174.62 177.31 3kkx n LYS 170 N -0.81 2.46 0.00 3.99 4.81 -0.06 -2.20 118.16 126.35 3kkx n LYS 170 Ca -0.05 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3kkx n LYS 170 Cb 0.60 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.98 3kkx n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kkx n GLY 171 N 3.36 1.20 3.76 3.14 0.00 0.51 -4.54 105.19 112.62 3kkx n GLY 171 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3kkx n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kkx s LYS 172 N -0.69 4.65 0.13 1.61 -0.14 -0.93 -4.90 119.74 119.47 3kkx s LYS 172 Ca 0.00 1.63 0.02 0.00 -1.36 0.00 0.00 55.97 56.26 3kkx s LYS 172 Cb 0.00 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 3kkx s LYS 172 CO 0.00 0.27 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.28 3kkx s SER 173 N -1.11 1.18 0.00 2.83 1.04 -1.26 -1.38 113.70 115.00 3kkx s SER 173 Ca 0.45 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 3kkx s SER 173 Cb -0.28 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 3kkx s SER 173 CO 0.35 -0.50 0.07 0.00 0.98 0.00 0.00 173.24 174.15 3kkx s ALA 174 N -3.63 -0.16 0.33 5.32 0.00 -0.16 -4.94 121.76 118.51 3kkx s ALA 174 Ca 0.17 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 3kkx s ALA 174 Cb 0.05 0.08 -0.11 0.00 0.00 0.00 0.00 23.12 23.15 3kkx s ALA 174 CO -0.01 -0.17 1.46 -0.51 0.00 0.00 0.00 175.76 176.53 3kkx s ASP 175 N -1.20 6.49 -0.43 0.00 -0.00 -1.26 -1.04 116.67 119.23 3kkx s ASP 175 Ca -0.13 2.89 0.06 0.00 -0.00 0.00 0.00 52.55 55.37 3kkx s ASP 175 Cb -0.07 -2.65 0.22 0.00 -0.00 0.00 0.00 42.92 40.41 3kkx s ASP 175 CO 0.00 -0.78 0.54 0.33 -0.00 0.00 0.00 175.17 175.27 3kkx n PHE 176 N 1.22 -1.44 -3.37 4.23 7.35 -0.54 -4.73 117.46 120.18 3kkx n PHE 176 Ca 0.03 -2.93 -0.23 0.00 -0.76 0.00 0.00 57.45 53.56 3kkx n PHE 176 Cb 0.40 0.37 -0.01 0.00 0.35 0.00 0.00 39.48 40.59 3kkx n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3kkx s THR 177 N -0.24 4.83 -1.67 -2.13 -4.23 -1.26 -3.27 115.64 107.67 3kkx s THR 177 Ca 0.33 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3kkx s THR 177 Cb 0.12 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3kkx s THR 177 CO -0.15 -0.46 0.03 0.59 -0.54 0.00 0.00 174.62 174.08 3kkx n ASN 178 N -1.80 -5.64 -4.71 3.99 4.13 -1.26 -4.97 115.26 105.00 3kkx n ASN 178 Ca -0.04 -0.03 -0.40 0.00 1.68 0.00 0.00 54.58 55.79 3kkx n ASN 178 Cb 0.57 -4.67 -0.05 0.00 -1.54 0.00 0.00 39.78 34.09 3kkx n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3kkx s PHE 179 N -2.99 3.56 -0.42 3.10 5.36 -1.26 -5.02 117.98 120.31 3kkx s PHE 179 Ca 0.02 1.21 -0.13 0.00 -0.96 0.00 0.00 56.93 57.06 3kkx s PHE 179 Cb -0.01 -2.80 0.04 0.00 -0.34 0.00 0.00 43.02 39.91 3kkx s PHE 179 CO 0.02 0.06 0.29 0.34 -1.46 0.00 0.00 175.22 174.48 3kkx s ASP 180 N 0.83 5.97 0.00 6.13 -1.08 -1.26 -4.44 116.67 122.82 3kkx s ASP 180 Ca 0.36 -1.09 0.18 0.00 -0.52 0.00 0.00 52.55 51.48 3kkx s ASP 180 Cb -0.17 -2.11 0.91 0.00 -1.46 0.00 0.00 42.92 40.08 3kkx s ASP 180 CO 0.17 -0.49 1.55 -0.81 0.52 0.00 0.00 175.17 176.11 3kkx n PRO 181 N 5.10 0.25 0.28 4.34 -0.04 -1.26 -2.35 135.00 141.32 3kkx n PRO 181 Ca -0.11 0.12 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3kkx n PRO 181 Cb 0.45 -1.50 0.81 0.00 -0.04 0.00 0.00 33.50 33.23 3kkx n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kkx h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -2.11 114.38 113.97 3kkx h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kkx h ARG 182 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kkx h ARG 182 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 3kkx n GLY 183 N -0.93 -0.80 0.50 0.04 0.00 -0.99 -2.80 105.19 100.21 3kkx n GLY 183 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3kkx n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kkx n LEU 184 N -1.23 1.99 -4.83 0.99 4.77 -0.79 -4.32 117.00 113.57 3kkx n LEU 184 Ca 0.09 -0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 54.94 3kkx n LEU 184 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3kkx n LEU 184 CO 0.12 0.37 0.40 -0.76 -1.33 0.00 0.00 177.39 176.19 3kkx s LEU 185 N -2.28 4.25 1.02 2.23 1.43 -1.12 -4.94 118.68 119.27 3kkx s LEU 185 Ca 0.18 1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 3kkx s LEU 185 Cb 0.17 -3.71 0.20 0.00 0.03 0.00 0.00 46.19 42.87 3kkx s LEU 185 CO 0.49 -0.04 1.17 -2.16 0.23 0.00 0.00 176.35 176.04 3kkx s PRO 186 N -2.32 0.23 0.12 1.29 0.04 -1.26 -4.98 135.00 128.12 3kkx s PRO 186 Ca 0.46 0.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.38 3kkx s PRO 186 Cb -0.14 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 3kkx s PRO 186 CO 0.20 -2.76 1.52 1.49 0.04 0.00 0.00 177.00 177.49 3kkx h GLU 187 N -1.90 0.72 -5.85 4.56 4.81 -1.92 -3.44 114.58 111.56 3kkx h GLU 187 Ca -0.48 -0.27 -0.63 0.00 -0.13 0.00 0.00 59.36 57.85 3kkx h GLU 187 Cb 1.30 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 3kkx h GLU 187 CO 0.47 0.86 -0.44 0.45 -0.73 0.00 0.00 179.01 179.63 3kkx s SER 188 N -6.32 6.43 -0.21 1.04 0.15 -1.26 -5.02 113.70 108.51 3kkx s SER 188 Ca -0.13 0.46 0.15 0.00 0.70 0.00 0.00 55.95 57.13 3kkx s SER 188 Cb 0.10 -2.05 0.62 0.00 -1.71 0.00 0.00 66.02 62.98 3kkx s SER 188 CO 0.81 0.26 1.54 0.18 1.20 0.00 0.00 173.24 177.23 3kkx n LEU 189 N 1.08 4.54 -4.76 3.45 4.77 -1.26 -4.73 117.00 120.09 3kkx n LEU 189 Ca -0.11 -3.07 -0.38 0.00 -0.03 0.00 0.00 56.01 52.41 3kkx n LEU 189 Cb 0.53 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3kkx n LEU 189 CO 0.42 0.71 0.94 -1.81 -1.33 0.00 0.00 177.39 176.32 3kkx s ASP 190 N -1.63 5.55 0.17 -1.43 1.01 -1.26 -4.73 116.67 114.34 3kkx s ASP 190 Ca 0.47 2.63 -0.13 0.00 0.71 0.00 0.00 52.55 56.22 3kkx s ASP 190 Cb 0.37 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.69 3kkx s ASP 190 CO 0.10 -1.37 0.39 -0.72 0.21 0.00 0.00 175.17 173.79 3kkx s TYR 191 N -1.37 0.08 0.11 4.23 -0.85 -1.26 -1.71 117.35 116.58 3kkx s TYR 191 Ca 0.69 -0.44 0.04 0.00 -0.52 0.00 0.00 57.07 56.84 3kkx s TYR 191 Cb -0.37 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 3kkx s TYR 191 CO 0.44 -0.79 0.10 -1.58 -1.52 0.00 0.00 175.55 172.21 3kkx s TRP 192 N -3.90 3.18 -0.00 -3.49 0.51 0.09 -0.92 118.94 114.41 3kkx s TRP 192 Ca 0.11 0.05 -0.03 0.00 -2.12 0.00 0.00 56.10 54.10 3kkx s TRP 192 Cb 0.01 -1.58 -0.00 0.00 -0.81 0.00 0.00 33.47 31.09 3kkx s TRP 192 CO -0.04 0.52 0.07 -0.08 -0.51 0.00 0.00 176.95 176.91 3kkx s THR 193 N -1.52 0.06 0.14 2.01 -1.32 0.12 -0.54 115.64 114.58 3kkx s THR 193 Ca 0.30 -0.51 -0.23 0.00 -1.21 0.00 0.00 61.69 60.04 3kkx s THR 193 Cb -0.11 -0.27 0.07 0.00 -1.51 0.00 0.00 72.50 70.67 3kkx s THR 193 CO 0.23 -0.28 0.58 -0.72 -2.21 0.00 0.00 174.62 172.22 3kkx s TYR 194 N -0.89 -0.51 0.02 9.09 1.13 -1.07 -1.30 117.35 123.81 3kkx s TYR 194 Ca -0.10 0.35 -0.27 0.00 -1.41 0.00 0.00 57.07 55.64 3kkx s TYR 194 Cb -0.06 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3kkx s TYR 194 CO 0.00 -0.81 0.85 -1.25 -2.51 0.00 0.00 175.55 171.83 3kkx s PRO 195 N -3.51 4.54 0.00 -3.49 0.04 -1.26 -1.41 135.00 129.90 3kkx s PRO 195 Ca 0.00 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3kkx s PRO 195 Cb -0.01 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3kkx s PRO 195 CO -0.11 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.46 3kkx n GLY 196 N 2.69 4.46 3.21 0.56 0.00 0.13 -4.85 105.19 111.38 3kkx n GLY 196 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3kkx n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kkx s SER 197 N 1.55 0.43 0.63 1.61 1.04 -1.10 -2.43 113.70 115.44 3kkx s SER 197 Ca 0.00 -1.33 -0.18 0.00 0.48 0.00 0.00 55.95 54.92 3kkx s SER 197 Cb 0.00 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3kkx s SER 197 CO 0.00 -0.78 1.15 0.18 0.98 0.00 0.00 173.24 174.77 3kkx n LEU 198 N -0.26 5.01 -1.03 2.42 4.77 -0.44 -4.50 117.00 122.98 3kkx n LEU 198 Ca -0.01 0.82 0.12 0.00 -0.03 0.00 0.00 56.01 56.91 3kkx n LEU 198 Cb 0.65 -1.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.41 3kkx n LEU 198 CO 0.33 -1.36 0.66 0.35 -1.33 0.00 0.00 177.39 176.04 3kkx n THR 199 N -1.81 0.27 -4.39 -5.08 -2.24 -1.26 -4.44 114.28 95.34 3kkx n THR 199 Ca 0.15 -0.64 -0.24 0.00 -2.27 0.00 0.00 64.05 61.05 3kkx n THR 199 Cb 0.48 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.80 3kkx n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kkx s THR 200 N -1.67 2.11 0.24 4.28 -4.23 -1.26 -4.76 115.64 110.35 3kkx s THR 200 Ca 0.33 -2.04 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 3kkx s THR 200 Cb 0.21 -2.02 -0.15 0.00 1.34 0.00 0.00 72.50 71.88 3kkx s THR 200 CO 0.30 -0.27 0.98 -2.65 -0.54 0.00 0.00 174.62 172.44 3kkx n PRO 201 N 0.12 1.10 -0.10 3.99 -0.02 -1.26 -0.60 135.00 138.25 3kkx n PRO 201 Ca -0.12 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.78 3kkx n PRO 201 Cb 0.57 -1.74 0.07 0.00 -0.02 0.00 0.00 33.50 32.38 3kkx n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kkx n PRO 202 N 1.04 1.43 -2.11 0.52 -0.04 -1.26 -5.00 135.00 129.58 3kkx n PRO 202 Ca 0.12 -0.55 -0.19 0.00 -0.04 0.00 0.00 63.50 62.84 3kkx n PRO 202 Cb 0.29 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3kkx n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kkx n LEU 203 N -0.03 -1.71 -4.76 1.53 4.77 0.24 -4.92 117.00 112.11 3kkx n LEU 203 Ca 0.05 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 3kkx n LEU 203 Cb 0.19 -2.68 0.01 0.00 -2.33 0.00 0.00 43.42 38.61 3kkx n LEU 203 CO 0.04 -0.44 0.97 -0.76 -1.33 0.00 0.00 177.39 175.87 3kkx s LEU 204 N -5.08 4.05 -1.19 2.23 1.43 -1.26 -4.45 118.68 114.41 3kkx s LEU 204 Ca 0.00 2.68 -0.07 0.00 -1.03 0.00 0.00 54.13 55.71 3kkx s LEU 204 Cb 0.00 -4.08 0.23 0.00 0.03 0.00 0.00 46.19 42.37 3kkx s LEU 204 CO 0.00 -1.15 1.72 -0.62 0.23 0.00 0.00 176.35 176.54 3kkx n GLU 205 N -0.40 4.08 -0.08 1.70 1.02 -1.26 -1.32 120.64 124.38 3kkx n GLU 205 Ca 0.07 -4.00 0.02 0.00 -0.02 0.00 0.00 57.16 53.23 3kkx n GLU 205 Cb 0.44 -2.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.17 3kkx n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kkx s VAL 207 N -1.07 2.90 -0.37 0.00 1.01 -1.02 -0.79 120.40 121.06 3kkx s VAL 207 Ca 0.07 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3kkx s VAL 207 Cb 0.06 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3kkx s VAL 207 CO 0.01 0.54 0.60 -0.89 0.00 0.00 0.00 175.10 175.35 3kkx s THR 208 N 0.25 4.92 0.08 3.92 2.01 -0.23 0.19 115.64 126.78 3kkx s THR 208 Ca -0.10 0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 3kkx s THR 208 Cb -0.16 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 3kkx s THR 208 CO 0.06 -0.33 0.69 0.26 -0.69 0.00 0.00 174.62 174.61 3kkx s TRP 209 N 2.63 3.80 -0.26 4.92 0.52 -0.50 -2.06 118.94 128.00 3kkx s TRP 209 Ca 0.22 1.43 -0.00 0.00 0.02 0.00 0.00 56.10 57.77 3kkx s TRP 209 Cb -0.15 -2.68 0.08 0.00 -1.15 0.00 0.00 33.47 29.57 3kkx s TRP 209 CO 0.15 0.45 0.03 0.42 0.02 0.00 0.00 176.95 178.02 3kkx s ILE 210 N -0.71 1.12 -0.25 2.03 1.01 -0.39 -2.61 121.20 121.41 3kkx s ILE 210 Ca 0.34 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 3kkx s ILE 210 Cb -0.21 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3kkx s ILE 210 CO 0.22 -0.37 0.02 -0.69 0.00 0.00 0.00 174.94 174.12 3kkx s VAL 211 N 1.54 3.78 0.24 2.92 1.01 0.30 -0.75 120.40 129.44 3kkx s VAL 211 Ca 0.02 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3kkx s VAL 211 Cb -0.18 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 3kkx s VAL 211 CO -0.13 0.32 1.08 -0.76 0.00 0.00 0.00 175.10 175.61 3kkx s LEU 212 N 1.52 4.54 0.13 3.92 1.43 -0.37 -0.73 118.68 129.12 3kkx s LEU 212 Ca 0.05 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 3kkx s LEU 212 Cb -0.15 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 3kkx s LEU 212 CO 0.00 -0.14 1.46 0.50 0.23 0.00 0.00 176.35 178.41 3kkx h LYS 213 N 4.32 0.91 -5.67 1.70 3.64 -1.67 -3.43 116.57 116.36 3kkx h LYS 213 Ca -0.46 -0.48 -0.60 0.00 -1.27 0.00 0.00 60.65 57.85 3kkx h LYS 213 Cb 1.21 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 3kkx h LYS 213 CO 0.69 1.13 0.20 -2.00 -2.27 0.00 0.00 179.45 177.20 3kkx s GLU 214 N -4.39 4.20 0.71 1.90 2.12 -1.26 -5.01 118.70 116.97 3kkx s GLU 214 Ca -0.11 0.68 -0.11 0.00 0.36 0.00 0.00 54.97 55.79 3kkx s GLU 214 Cb 0.11 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.91 3kkx s GLU 214 CO 0.87 -0.32 1.07 -1.25 -0.54 0.00 0.00 175.26 175.09 3kkx s PRO 215 N 2.17 2.80 0.18 4.30 0.04 -1.26 -4.70 135.00 138.52 3kkx s PRO 215 Ca 0.30 0.83 0.04 0.00 0.04 0.00 0.00 61.00 62.21 3kkx s PRO 215 Cb -0.16 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3kkx s PRO 215 CO 0.10 -1.17 0.25 0.96 0.04 0.00 0.00 177.00 177.19 3kkx s ILE 216 N -3.10 5.04 -0.14 0.56 -4.36 -0.07 -4.89 121.20 114.24 3kkx s ILE 216 Ca 0.58 -0.89 -0.06 0.00 -0.26 0.00 0.00 60.65 60.02 3kkx s ILE 216 Cb -0.14 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 3kkx s ILE 216 CO 0.55 -0.16 0.09 -0.44 0.24 0.00 0.00 174.94 175.22 3kkx s SER 217 N -3.38 5.92 0.20 4.36 0.01 -1.26 -1.11 113.70 118.45 3kkx s SER 217 Ca 0.33 0.27 0.07 0.00 1.31 0.00 0.00 55.95 57.93 3kkx s SER 217 Cb -0.10 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 3kkx s SER 217 CO 0.27 0.32 -0.12 0.68 0.41 0.00 0.00 173.24 174.80 3kkx s VAL 218 N -0.48 1.57 0.47 3.43 -7.23 -0.26 -3.67 120.40 114.23 3kkx s VAL 218 Ca 0.11 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 3kkx s VAL 218 Cb -0.12 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3kkx s VAL 218 CO 0.02 -0.59 0.75 -0.94 -0.31 0.00 0.00 175.10 174.03 3kkx s SER 219 N -3.30 6.09 0.37 4.85 1.04 -1.16 -0.48 113.70 121.12 3kkx s SER 219 Ca 0.22 0.72 0.08 0.00 0.48 0.00 0.00 55.95 57.45 3kkx s SER 219 Cb 0.01 -2.02 0.81 0.00 0.10 0.00 0.00 66.02 64.92 3kkx s SER 219 CO 0.06 -0.63 1.94 0.77 0.98 0.00 0.00 173.24 176.37 3kkx h SER 220 N 0.27 0.61 -0.17 7.02 4.64 -1.93 -1.62 113.55 122.37 3kkx h SER 220 Ca -0.47 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 3kkx h SER 220 Cb 1.22 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3kkx h SER 220 CO 0.61 0.37 -0.22 -0.33 -0.87 0.00 0.00 176.83 176.39 3kkx h GLU 221 N 0.68 0.61 -0.08 4.77 3.07 -1.95 -0.24 114.58 121.44 3kkx h GLU 221 Ca 0.33 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 3kkx h GLU 221 Cb 0.41 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3kkx h GLU 221 CO -0.12 0.78 0.03 1.96 -1.40 0.00 0.00 179.01 180.27 3kkx h GLN 222 N 0.54 0.12 0.00 2.33 4.20 -1.70 -2.75 115.11 117.86 3kkx h GLN 222 Ca 0.08 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3kkx h GLN 222 Cb 0.67 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3kkx h GLN 222 CO 0.05 0.26 -0.44 -0.24 -0.67 0.00 0.00 178.83 177.79 3kkx h VAL 223 N -0.04 0.98 -0.87 -0.54 3.04 -1.19 -2.39 116.25 115.24 3kkx h VAL 223 Ca 0.03 -1.76 0.10 0.00 -1.01 0.00 0.00 66.70 64.06 3kkx h VAL 223 Cb 0.19 2.05 -0.06 0.00 -2.01 0.00 0.00 31.29 31.46 3kkx h VAL 223 CO -0.00 0.44 0.56 -0.07 -1.01 0.00 0.00 177.57 177.49 3kkx h LEU 224 N 0.00 0.76 -0.94 3.16 3.38 -0.91 -1.94 115.31 118.82 3kkx h LEU 224 Ca -0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3kkx h LEU 224 Cb 1.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3kkx h LEU 224 CO 0.06 0.44 -0.49 0.11 0.09 0.00 0.00 178.44 178.65 3kkx h LYS 225 N 0.83 0.10 -0.94 1.13 1.57 -1.13 -2.42 116.57 115.71 3kkx h LYS 225 Ca 0.41 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.20 3kkx h LYS 225 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 3kkx h LYS 225 CO -0.17 0.57 0.61 0.74 -0.57 0.00 0.00 179.45 180.63 3kkx h PHE 226 N 0.08 1.10 0.00 -1.35 -1.00 -1.33 -2.49 116.94 111.96 3kkx h PHE 226 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3kkx h PHE 226 Cb 0.90 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 40.09 3kkx h PHE 226 CO 0.01 0.58 0.00 0.54 -1.61 0.00 0.00 178.31 177.83 3kkx n ARG 227 N -4.49 0.64 0.00 1.51 1.74 -0.91 -2.47 116.66 112.68 3kkx n ARG 227 Ca 0.14 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 3kkx n ARG 227 Cb 0.18 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.25 3kkx n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kkx n LYS 228 N -1.04 0.83 -1.32 5.56 5.02 -0.94 -4.48 118.16 121.80 3kkx n LYS 228 Ca 0.16 -0.61 -0.29 0.00 -2.02 0.00 0.00 58.31 55.54 3kkx n LYS 228 Cb 0.09 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 33.75 3kkx n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kkx s LEU 229 N -2.60 2.05 0.01 -0.35 1.43 -1.03 -4.86 118.68 113.32 3kkx s LEU 229 Ca 0.18 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 3kkx s LEU 229 Cb 0.18 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3kkx s LEU 229 CO 0.60 -2.68 -0.25 0.20 0.23 0.00 0.00 176.35 174.46 3kkx s ASN 230 N -3.63 2.91 0.22 2.29 0.02 0.25 0.07 114.94 117.07 3kkx s ASN 230 Ca 0.64 -0.50 0.07 0.00 -1.02 0.00 0.00 52.86 52.05 3kkx s ASN 230 Cb -0.17 -0.29 0.19 0.00 0.02 0.00 0.00 41.25 41.00 3kkx s ASN 230 CO 0.56 0.27 1.51 -0.26 0.02 0.00 0.00 177.10 179.20 3kkx h PHE 231 N 5.21 0.12 -4.46 2.20 0.04 -1.31 -3.37 116.94 115.37 3kkx h PHE 231 Ca -0.43 -0.06 -0.49 0.00 2.80 0.00 0.00 57.97 59.79 3kkx h PHE 231 Cb 1.14 -0.02 0.08 0.00 2.20 0.00 0.00 35.95 39.35 3kkx h PHE 231 CO 0.43 0.77 0.41 0.54 -0.60 0.00 0.00 178.31 179.86 3kkx s ASN 232 N -6.86 5.39 0.63 2.17 4.22 -1.26 -4.43 114.94 114.80 3kkx s ASN 232 Ca -0.02 1.15 -0.11 0.00 -2.14 0.00 0.00 52.86 51.75 3kkx s ASN 232 Cb 0.12 -1.95 -0.03 0.00 1.28 0.00 0.00 41.25 40.67 3kkx s ASN 232 CO 0.79 -1.38 1.03 -0.83 -2.04 0.00 0.00 177.10 174.67 3kkx s GLY 233 N -4.32 1.64 0.40 0.45 0.00 -1.26 -0.88 107.32 103.35 3kkx s GLY 233 Ca 0.58 -0.18 -0.26 0.00 0.00 0.00 0.00 44.72 44.86 3kkx s GLY 233 CO 0.52 0.11 1.25 -2.21 0.00 0.00 0.00 173.10 172.77 3kkx n GLU 234 N -2.78 1.92 -0.82 2.90 2.13 -1.26 -1.94 120.64 120.79 3kkx n GLU 234 Ca 0.06 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3kkx n GLU 234 Cb 0.55 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.93 3kkx n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kkx n GLY 235 N 0.84 1.29 3.98 8.31 0.00 -1.26 -5.02 105.19 113.33 3kkx n GLY 235 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3kkx n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kkx s GLU 236 N -0.03 3.20 0.19 1.61 2.02 -0.82 -5.04 118.70 119.84 3kkx s GLU 236 Ca 0.00 -0.95 -0.33 0.00 0.02 0.00 0.00 54.97 53.72 3kkx s GLU 236 Cb 0.00 -2.83 -0.14 0.00 0.10 0.00 0.00 34.13 31.26 3kkx s GLU 236 CO 0.00 0.17 1.46 -2.30 0.02 0.00 0.00 175.26 174.60 3kkx n PRO 237 N -1.57 1.97 -2.08 0.39 -0.02 -1.26 -4.89 135.00 127.54 3kkx n PRO 237 Ca -0.03 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 3kkx n PRO 237 Cb 0.58 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3kkx n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kkx s GLU 238 N 0.19 4.20 -0.18 -0.52 2.12 -1.26 -4.76 118.70 118.48 3kkx s GLU 238 Ca 0.74 2.10 0.00 0.00 0.36 0.00 0.00 54.97 58.17 3kkx s GLU 238 Cb -0.69 -3.87 0.04 0.00 0.26 0.00 0.00 34.13 29.87 3kkx s GLU 238 CO 0.45 -0.78 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.10 3kkx s GLU 239 N 3.61 1.70 0.37 4.30 2.02 -1.26 -5.06 118.70 124.38 3kkx s GLU 239 Ca 0.70 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.75 3kkx s GLU 239 Cb -0.32 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 3kkx s GLU 239 CO 0.27 -0.43 1.31 -0.51 0.02 0.00 0.00 175.26 175.92 3kkx s LEU 240 N 1.53 4.31 -0.88 1.80 1.43 -1.26 -0.98 118.68 124.63 3kkx s LEU 240 Ca -0.00 2.68 -0.22 0.00 -1.03 0.00 0.00 54.13 55.55 3kkx s LEU 240 Cb -0.16 -3.78 0.07 0.00 0.03 0.00 0.00 46.19 42.35 3kkx s LEU 240 CO -0.08 -0.70 1.24 -0.32 0.23 0.00 0.00 176.35 176.72 3kkx s MET 241 N -2.03 3.43 0.03 1.70 -2.45 0.11 -4.61 119.30 115.48 3kkx s MET 241 Ca 0.53 -1.08 -0.03 0.00 -1.25 0.00 0.00 55.69 53.86 3kkx s MET 241 Cb -0.39 -4.81 -0.02 0.00 1.25 0.00 0.00 34.83 30.86 3kkx s MET 241 CO 0.51 -2.01 0.03 0.14 1.05 0.00 0.00 175.02 174.75 3kkx s VAL 242 N 4.32 0.14 -1.32 10.11 -7.23 -1.26 -4.48 120.40 120.67 3kkx s VAL 242 Ca 0.36 -1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 59.31 3kkx s VAL 242 Cb -0.06 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.10 3kkx s VAL 242 CO -0.02 -0.64 1.06 0.47 -0.31 0.00 0.00 175.10 175.67 3kkx n ASP 243 N 0.93 -4.34 -2.59 4.85 8.00 0.22 -4.86 116.55 118.77 3kkx n ASP 243 Ca -0.20 -0.62 -0.30 0.00 0.71 0.00 0.00 54.79 54.38 3kkx n ASP 243 Cb 0.58 -4.85 -0.02 0.00 -0.02 0.00 0.00 41.12 36.80 3kkx n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3kkx n ASN 244 N -3.04 6.81 -4.34 -2.24 6.94 -1.10 -4.90 115.26 113.38 3kkx n ASN 244 Ca -0.11 -3.40 -0.29 0.00 -0.02 0.00 0.00 54.58 50.76 3kkx n ASN 244 Cb 0.60 -1.17 -0.14 0.00 -2.36 0.00 0.00 39.78 36.71 3kkx n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3kkx s TRP 245 N -2.45 2.20 -0.05 -2.53 1.48 -1.26 -4.61 118.94 111.71 3kkx s TRP 245 Ca 0.56 -0.40 -0.14 0.00 -1.06 0.00 0.00 56.10 55.06 3kkx s TRP 245 Cb 0.40 -1.26 -0.05 0.00 -1.16 0.00 0.00 33.47 31.39 3kkx s TRP 245 CO -0.27 0.20 0.36 0.50 -4.06 0.00 0.00 176.95 173.69 3kkx s ARG 246 N -1.58 3.96 0.80 3.25 3.52 -1.26 -4.96 118.95 122.68 3kkx s ARG 246 Ca 0.11 0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.90 3kkx s ARG 246 Cb -0.10 -3.27 0.07 0.00 -1.56 0.00 0.00 34.95 30.09 3kkx s ARG 246 CO 0.04 0.57 1.09 -1.25 -0.81 0.00 0.00 175.30 174.94 3kkx s PRO 247 N -0.65 2.05 0.39 5.12 0.04 -1.26 -4.68 135.00 136.02 3kkx s PRO 247 Ca 0.22 0.70 -0.26 0.00 0.04 0.00 0.00 61.00 61.69 3kkx s PRO 247 Cb -0.15 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 3kkx s PRO 247 CO 0.10 -1.66 1.29 0.00 0.04 0.00 0.00 177.00 176.78 3kkx n ALA 248 N -3.47 1.39 -2.70 8.56 0.00 -1.26 -4.40 120.51 118.63 3kkx n ALA 248 Ca 0.07 0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.56 3kkx n ALA 248 Cb 0.56 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 3kkx n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kkx s GLN 249 N -2.10 2.51 0.33 0.00 -1.52 0.19 -4.96 119.66 114.10 3kkx s GLN 249 Ca 0.59 -1.16 -0.29 0.00 -1.95 0.00 0.00 55.36 52.54 3kkx s GLN 249 Cb -0.52 -2.36 -0.11 0.00 -0.22 0.00 0.00 33.01 29.80 3kkx s GLN 249 CO 0.60 0.42 1.48 -2.14 -0.25 0.00 0.00 175.29 175.40 3kkx s PRO 250 N -3.32 4.17 0.30 2.91 0.02 -1.26 -4.58 135.00 133.25 3kkx s PRO 250 Ca 0.30 2.48 0.13 0.00 0.02 0.00 0.00 61.00 63.92 3kkx s PRO 250 Cb -0.08 -3.02 0.42 0.00 0.02 0.00 0.00 34.50 31.84 3kkx s PRO 250 CO 0.20 -0.49 1.63 1.25 -0.33 0.00 0.00 177.00 179.27 3kkx h LEU 251 N 3.81 0.00 0.00 -5.54 5.85 -1.95 -3.44 115.31 114.05 3kkx h LEU 251 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3kkx h LEU 251 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3kkx h LEU 251 CO 0.70 0.56 0.00 0.29 -0.34 0.00 0.00 178.44 179.65 3kkx n LYS 252 N -3.71 0.00 -1.19 1.25 4.76 -1.26 -2.78 118.16 115.23 3kkx n LYS 252 Ca -0.01 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.24 3kkx n LYS 252 Cb 0.60 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.72 3kkx n LYS 252 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kkx n ASN 253 N 1.63 6.07 -4.39 4.39 4.05 -1.26 -4.91 115.26 120.85 3kkx n ASN 253 Ca 0.00 -2.94 -0.26 0.00 0.45 0.00 0.00 54.58 51.83 3kkx n ASN 253 Cb 0.00 -1.24 -0.12 0.00 1.23 0.00 0.00 39.78 39.65 3kkx n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3kkx s ARG 254 N -0.91 1.41 -0.09 1.20 0.52 -1.12 -5.14 118.95 114.82 3kkx s ARG 254 Ca 0.52 -1.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 3kkx s ARG 254 Cb 0.32 -1.69 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 3kkx s ARG 254 CO -0.11 0.37 -0.15 -0.65 0.02 0.00 0.00 175.30 174.78 3kkx s GLN 255 N -2.55 3.00 -0.06 3.54 -0.21 -1.26 -5.04 119.66 117.08 3kkx s GLN 255 Ca 0.17 -0.72 -0.19 0.00 0.02 0.00 0.00 55.36 54.64 3kkx s GLN 255 Cb -0.08 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 3kkx s GLN 255 CO 0.08 0.36 0.53 0.42 -2.12 0.00 0.00 175.29 174.57 3kkx s ILE 256 N -0.06 5.06 0.03 1.08 1.01 -1.26 -4.73 121.20 122.34 3kkx s ILE 256 Ca -0.03 1.09 0.04 0.00 0.00 0.00 0.00 60.65 61.75 3kkx s ILE 256 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3kkx s ILE 256 CO 0.04 0.37 -0.04 -0.54 0.00 0.00 0.00 174.94 174.77 3kkx s LYS 257 N 0.20 2.56 -0.00 2.79 1.02 -0.42 -1.50 119.74 124.38 3kkx s LYS 257 Ca 0.29 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.57 3kkx s LYS 257 Cb -0.17 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3kkx s LYS 257 CO 0.14 0.59 -0.13 0.00 -0.92 0.00 0.00 175.35 175.02 3kkx s ALA 258 N -1.10 2.76 -2.40 5.17 0.00 -0.01 -0.71 121.76 125.47 3kkx s ALA 258 Ca 0.20 -1.06 0.27 0.00 0.00 0.00 0.00 51.96 51.37 3kkx s ALA 258 Cb -0.11 -0.95 1.09 0.00 0.00 0.00 0.00 23.12 23.15 3kkx s ALA 258 CO 0.11 0.58 1.76 -1.13 0.00 0.00 0.00 175.76 177.08 3kkx n SER 259 N 1.82 1.34 -4.13 0.00 3.41 -0.10 -1.20 113.62 114.76 3kkx n SER 259 Ca -0.16 -1.48 -0.11 0.00 -0.26 0.00 0.00 58.87 56.86 3kkx n SER 259 Cb 0.52 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 3kkx n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3kkx s PHE 260 N -1.96 0.90 0.00 7.33 -0.71 -1.26 -4.87 117.98 117.40 3kkx s PHE 260 Ca 0.38 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.08 3kkx s PHE 260 Cb 0.20 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 3kkx s PHE 260 CO 0.32 -0.67 0.24 0.36 -1.34 0.00 0.00 175.22 174.13