#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4l s TYR 47 N 0.00 1.54 -0.05 5.64 1.51 -0.55 -5.03 117.35 120.42 3k4l s TYR 47 Ca 0.00 -0.81 -0.26 0.00 -1.01 0.00 0.00 57.07 54.99 3k4l s TYR 47 Cb 0.00 -0.85 -0.22 0.00 -0.11 0.00 0.00 41.96 40.79 3k4l s TYR 47 CO 0.00 0.08 1.12 -0.44 -1.11 0.00 0.00 175.55 175.20 3k4l h ASP 48 N 2.54 0.04 -3.85 2.29 3.32 -1.53 -3.13 116.42 116.10 3k4l h ASP 48 Ca -0.38 -0.64 -0.51 0.00 0.02 0.00 0.00 57.03 55.51 3k4l h ASP 48 Cb 1.21 -0.01 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 3k4l h ASP 48 CO 0.64 0.67 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.33 3k4l s VAL 49 N -3.65 1.19 -0.05 -1.35 1.01 -0.91 -1.18 120.40 115.47 3k4l s VAL 49 Ca -0.17 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3k4l s VAL 49 Cb 0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3k4l s VAL 49 CO 0.69 0.35 -0.21 0.68 0.00 0.00 0.00 175.10 176.61 3k4l s VAL 50 N 0.13 2.46 -0.10 2.92 -7.23 -0.24 -1.31 120.40 117.02 3k4l s VAL 50 Ca -0.04 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 3k4l s VAL 50 Cb -0.11 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.92 3k4l s VAL 50 CO 0.02 0.58 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.56 3k4l s ILE 51 N -0.42 1.73 -0.39 -0.62 1.01 -0.22 -0.43 121.20 121.87 3k4l s ILE 51 Ca 0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 3k4l s ILE 51 Cb -0.12 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.82 3k4l s ILE 51 CO 0.02 0.49 0.27 -0.69 0.00 0.00 0.00 174.94 175.03 3k4l s VAL 52 N 0.69 5.20 0.00 2.92 1.01 0.10 -0.66 120.40 129.65 3k4l s VAL 52 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3k4l s VAL 52 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3k4l s VAL 52 CO 0.03 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3k4l n GLY 53 N 5.13 2.97 1.10 4.51 0.00 0.81 -0.00 105.19 119.71 3k4l n GLY 53 Ca -0.12 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.54 3k4l n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4l n SER 54 N 0.00 3.44 -3.41 1.61 3.41 -1.26 -4.35 113.62 113.06 3k4l n SER 54 Ca 0.00 -3.32 -0.29 0.00 -0.26 0.00 0.00 58.87 55.00 3k4l n SER 54 Cb 0.00 -0.60 0.26 0.00 -0.26 0.00 0.00 64.21 63.61 3k4l n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4l n GLY 55 N -0.74 -3.17 0.27 5.00 0.00 -1.26 -2.26 105.19 103.02 3k4l n GLY 55 Ca 0.28 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.97 3k4l n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4l h PRO 56 N 0.00 0.00 -0.03 1.61 0.13 -1.91 -0.72 132.00 131.07 3k4l h PRO 56 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 3k4l h PRO 56 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3k4l h PRO 56 CO 0.25 0.00 -0.11 0.82 -0.23 0.00 0.00 178.00 178.73 3k4l h ILE 57 N 0.00 1.48 -0.84 -3.56 1.08 -1.92 -1.86 117.51 111.89 3k4l h ILE 57 Ca 0.01 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 62.91 3k4l h ILE 57 Cb 0.04 2.44 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 3k4l h ILE 57 CO -0.00 0.43 0.53 1.23 -0.69 0.00 0.00 178.15 179.64 3k4l h GLY 58 N -0.45 1.20 2.00 5.37 0.00 -1.66 -1.08 103.07 108.44 3k4l h GLY 58 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3k4l h GLY 58 CO 0.02 0.46 -0.16 0.00 0.00 0.00 0.00 176.54 176.87 3k4l h THR 60 N 0.00 1.26 -0.68 0.00 2.02 -0.33 0.23 112.91 115.41 3k4l h THR 60 Ca -0.00 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.46 3k4l h THR 60 Cb 0.46 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.50 3k4l h THR 60 CO 0.02 0.21 0.36 1.88 0.37 0.00 0.00 175.52 178.36 3k4l h TYR 61 N -0.22 0.65 -0.10 3.16 0.05 -1.18 -1.93 116.97 117.40 3k4l h TYR 61 Ca 0.01 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k4l h TYR 61 Cb 0.34 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 3k4l h TYR 61 CO 0.04 0.28 0.05 0.00 -1.05 0.00 0.00 178.16 177.47 3k4l h ALA 62 N 1.38 0.13 -0.22 3.88 0.00 -0.95 0.11 119.26 123.60 3k4l h ALA 62 Ca 0.32 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3k4l h ALA 62 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3k4l h ALA 62 CO -0.22 -0.32 -0.21 -0.09 0.00 0.00 0.00 179.25 178.41 3k4l h ARG 63 N 0.05 -0.21 -0.11 0.00 2.43 -0.36 0.12 114.38 116.29 3k4l h ARG 63 Ca 0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3k4l h ARG 63 Cb 0.10 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3k4l h ARG 63 CO -0.00 -0.14 0.04 0.93 -1.51 0.00 0.00 179.97 179.28 3k4l h GLU 64 N -0.22 0.17 0.15 0.20 4.39 -1.23 -2.35 114.58 115.69 3k4l h GLU 64 Ca 0.13 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.49 3k4l h GLU 64 Cb 0.42 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3k4l h GLU 64 CO -0.35 0.31 -1.45 -0.07 -1.16 0.00 0.00 179.01 176.30 3k4l h LEU 65 N 0.00 0.50 -0.91 1.33 3.38 -0.59 -1.96 115.31 117.06 3k4l h LEU 65 Ca 0.04 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3k4l h LEU 65 Cb 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3k4l h LEU 65 CO -0.00 1.49 0.44 0.58 0.09 0.00 0.00 178.44 181.04 3k4l h VAL 66 N 0.09 1.26 0.00 1.22 2.07 -0.88 -1.18 116.25 118.82 3k4l h VAL 66 Ca -0.22 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3k4l h VAL 66 Cb 2.04 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3k4l h VAL 66 CO 0.20 0.30 -0.35 1.23 0.02 0.00 0.00 177.57 178.97 3k4l h GLY 67 N 1.22 0.00 1.58 2.17 0.00 -1.38 -1.83 103.07 104.84 3k4l h GLY 67 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3k4l h GLY 67 CO -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.47 3k4l n ALA 68 N -2.38 2.51 -0.31 3.60 0.00 -0.74 -4.93 120.51 118.24 3k4l n ALA 68 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3k4l n ALA 68 Cb 0.42 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3k4l n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4l n GLY 69 N 1.34 0.82 3.77 0.00 0.00 -0.69 -4.93 105.19 105.50 3k4l n GLY 69 Ca 0.12 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3k4l n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4l s TYR 70 N -2.00 3.53 -0.51 1.61 1.51 -0.48 -4.64 117.35 116.36 3k4l s TYR 70 Ca 0.00 1.72 -0.28 0.00 -1.01 0.00 0.00 57.07 57.50 3k4l s TYR 70 Cb 0.00 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 3k4l s TYR 70 CO 0.00 -0.28 1.40 0.21 -1.11 0.00 0.00 175.55 175.78 3k4l s LYS 71 N -2.00 3.40 -0.10 -0.62 2.20 -1.26 -4.30 119.74 117.05 3k4l s LYS 71 Ca 0.51 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.73 3k4l s LYS 71 Cb -0.24 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 3k4l s LYS 71 CO 0.30 -1.81 -0.13 0.08 -0.36 0.00 0.00 175.35 173.43 3k4l s VAL 72 N 5.82 3.08 -0.09 4.02 1.01 -0.54 -1.39 120.40 132.32 3k4l s VAL 72 Ca 0.55 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3k4l s VAL 72 Cb -0.11 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3k4l s VAL 72 CO 0.28 0.55 -0.13 0.00 0.00 0.00 0.00 175.10 175.80 3k4l s ALA 73 N -0.07 2.68 -0.04 5.51 0.00 -0.43 -1.58 121.76 127.83 3k4l s ALA 73 Ca -0.02 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.07 3k4l s ALA 73 Cb -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 3k4l s ALA 73 CO 0.04 0.42 -0.24 1.41 0.00 0.00 0.00 175.76 177.38 3k4l s MET 74 N -0.25 2.26 -0.07 0.00 1.75 0.53 -1.05 119.30 122.46 3k4l s MET 74 Ca 0.02 -0.88 0.04 0.00 -1.25 0.00 0.00 55.69 53.61 3k4l s MET 74 Cb -0.13 -2.03 -0.02 0.00 2.84 0.00 0.00 34.83 35.50 3k4l s MET 74 CO 0.03 0.44 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.59 3k4l s PHE 75 N -0.33 2.63 -0.03 4.11 0.08 0.16 -0.90 117.98 123.70 3k4l s PHE 75 Ca 0.02 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.60 3k4l s PHE 75 Cb -0.12 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3k4l s PHE 75 CO 0.02 -0.08 -0.13 0.34 -0.10 0.00 0.00 175.22 175.26 3k4l s ASP 76 N -0.22 1.65 0.47 1.36 -1.08 -0.79 -0.13 116.67 117.93 3k4l s ASP 76 Ca -0.01 -0.26 0.21 0.00 -0.52 0.00 0.00 52.55 51.98 3k4l s ASP 76 Cb -0.13 -0.36 1.15 0.00 -1.46 0.00 0.00 42.92 42.12 3k4l s ASP 76 CO 0.03 0.13 1.98 -0.29 0.52 0.00 0.00 175.17 177.54 3k4l h ILE 77 N 5.15 0.82 -5.67 4.11 2.10 -1.81 -0.58 117.51 121.64 3k4l h ILE 77 Ca -0.33 -0.78 -0.47 0.00 1.08 0.00 0.00 64.86 64.35 3k4l h ILE 77 Cb 1.17 1.47 0.08 0.00 -1.09 0.00 0.00 36.82 38.45 3k4l h ILE 77 CO 0.48 0.20 0.11 0.61 -1.08 0.00 0.00 178.15 178.47 3k4l n GLY 78 N -0.60 0.74 3.56 8.18 0.00 -1.26 -3.73 105.19 112.07 3k4l n GLY 78 Ca -0.02 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 3k4l n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4l s GLU 79 N -5.13 1.89 -0.11 1.61 2.02 -1.26 -1.54 118.70 116.17 3k4l s GLU 79 Ca 0.67 -1.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 3k4l s GLU 79 Cb -0.04 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 3k4l s GLU 79 CO 0.45 0.18 1.26 0.42 0.02 0.00 0.00 175.26 177.59 3k4l s ILE 80 N -2.56 4.22 -0.04 -1.63 1.01 -1.26 -1.63 121.20 119.31 3k4l s ILE 80 Ca 0.33 1.51 0.05 0.00 0.00 0.00 0.00 60.65 62.53 3k4l s ILE 80 Cb 0.00 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.60 3k4l s ILE 80 CO 0.17 -0.08 1.08 -0.90 0.00 0.00 0.00 174.94 175.22 3k4l n ASP 81 N 6.07 -0.82 -1.18 3.58 5.75 -1.26 -4.96 116.55 123.73 3k4l n ASP 81 Ca 0.13 -2.03 -0.05 0.00 -0.01 0.00 0.00 54.79 52.83 3k4l n ASP 81 Cb 0.45 0.28 0.20 0.00 -1.03 0.00 0.00 41.12 41.01 3k4l n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k4l n SER 82 N -0.15 2.48 0.00 -1.12 7.64 -1.26 -5.05 113.62 116.16 3k4l n SER 82 Ca -0.23 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 55.85 3k4l n SER 82 Cb 0.77 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3k4l n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4l n GLY 83 N -1.12 -1.69 0.19 0.23 0.00 -1.26 -4.35 105.19 97.19 3k4l n GLY 83 Ca 0.34 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 45.03 3k4l n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4l h LEU 84 N 0.00 0.00 -8.41 0.99 3.38 -2.02 -3.39 115.31 105.86 3k4l h LEU 84 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3k4l h LEU 84 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3k4l h LEU 84 CO 0.00 0.00 0.58 -0.54 0.09 0.00 0.00 178.44 178.57 3k4l s LYS 85 N -3.20 3.25 0.10 1.13 1.02 -1.26 -5.00 119.74 115.78 3k4l s LYS 85 Ca 0.08 -0.45 -0.31 0.00 0.02 0.00 0.00 55.97 55.31 3k4l s LYS 85 Cb 0.07 -4.11 -0.07 0.00 -0.52 0.00 0.00 37.83 33.20 3k4l s LYS 85 CO 0.64 -1.62 1.28 0.42 -0.92 0.00 0.00 175.35 175.15 3k4l s ILE 86 N 4.07 3.66 -0.48 2.17 1.01 -1.26 -2.57 121.20 127.79 3k4l s ILE 86 Ca 0.28 1.21 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3k4l s ILE 86 Cb -0.14 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3k4l s ILE 86 CO 0.16 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3k4l n GLY 87 N 3.20 0.73 3.95 6.18 0.00 -1.26 -4.31 105.19 113.68 3k4l n GLY 87 Ca 0.09 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3k4l n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4l s ALA 88 N -2.11 3.29 0.06 4.61 0.00 -1.06 -2.51 121.76 124.03 3k4l s ALA 88 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 51.96 50.46 3k4l s ALA 88 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 3k4l s ALA 88 CO 0.00 -1.38 1.29 -1.58 0.00 0.00 0.00 175.76 174.09 3k4l s HIS 89 N -3.22 3.26 -0.41 0.00 2.46 -1.26 -4.51 115.29 111.61 3k4l s HIS 89 Ca 0.63 1.11 0.25 0.00 0.47 0.00 0.00 55.06 57.52 3k4l s HIS 89 Cb -0.09 -3.54 1.03 0.00 -0.13 0.00 0.00 32.58 29.85 3k4l s HIS 89 CO 0.45 -1.80 1.75 0.87 -2.47 0.00 0.00 174.74 173.54 3k4l h LYS 90 N 7.04 0.00 0.00 2.88 1.57 -1.37 -2.20 116.57 124.49 3k4l h LYS 90 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3k4l h LYS 90 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3k4l h LYS 90 CO 0.85 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.90 3k4l n LYS 91 N -2.37 0.01 -1.15 3.15 4.81 -1.26 -4.24 118.16 117.11 3k4l n LYS 91 Ca 0.02 0.02 -0.18 0.00 -0.87 0.00 0.00 58.31 57.30 3k4l n LYS 91 Cb 0.25 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.72 3k4l n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4l n ASN 92 N -1.49 5.91 -4.41 3.14 3.02 -0.83 -4.41 115.26 116.19 3k4l n ASN 92 Ca 0.07 -2.85 -0.29 0.00 -0.03 0.00 0.00 54.58 51.48 3k4l n ASN 92 Cb 0.32 -1.27 -0.13 0.00 -0.61 0.00 0.00 39.78 38.09 3k4l n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4l s THR 93 N -0.84 2.36 0.24 3.41 -4.23 -1.26 -5.03 115.64 110.29 3k4l s THR 93 Ca 0.54 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 3k4l s THR 93 Cb 0.31 -2.05 0.23 0.00 1.34 0.00 0.00 72.50 72.33 3k4l s THR 93 CO -0.09 0.10 1.91 0.58 -0.54 0.00 0.00 174.62 176.58 3k4l h VAL 94 N 3.83 1.22 -0.69 2.29 2.07 -1.97 -2.54 116.25 120.46 3k4l h VAL 94 Ca -0.51 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 3k4l h VAL 94 Cb 1.17 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3k4l h VAL 94 CO 0.40 0.23 0.14 -0.08 0.02 0.00 0.00 177.57 178.28 3k4l h GLU 95 N 1.25 1.13 -0.06 1.57 4.57 -1.95 -2.19 114.58 118.89 3k4l h GLU 95 Ca 0.35 -0.29 -0.13 0.00 -1.18 0.00 0.00 59.36 58.11 3k4l h GLU 95 Cb -0.11 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 3k4l h GLU 95 CO -0.08 1.02 -0.56 1.88 -1.18 0.00 0.00 179.01 180.09 3k4l h TYR 96 N 1.06 0.23 0.00 0.92 0.05 -1.77 -1.09 116.97 116.38 3k4l h TYR 96 Ca 0.21 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3k4l h TYR 96 Cb 0.42 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3k4l h TYR 96 CO 0.03 0.70 -0.07 1.04 -1.05 0.00 0.00 178.16 178.80 3k4l n GLN 97 N -3.90 0.14 0.00 4.88 6.02 -0.99 -1.32 117.38 122.22 3k4l n GLN 97 Ca -0.02 0.11 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 3k4l n GLN 97 Cb 0.58 -1.66 0.13 0.00 1.02 0.00 0.00 30.24 30.31 3k4l n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k4l n LYS 98 N -1.90 0.28 -3.01 -1.09 5.02 -0.85 -4.49 118.16 112.12 3k4l n LYS 98 Ca 0.06 -0.20 -0.15 0.00 -2.02 0.00 0.00 58.31 56.00 3k4l n LYS 98 Cb 0.39 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 3k4l n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4l n ASN 99 N -1.18 1.01 0.25 4.39 3.02 -0.43 -4.98 115.26 117.34 3k4l n ASN 99 Ca 0.07 -2.91 0.08 0.00 -0.03 0.00 0.00 54.58 51.78 3k4l n ASN 99 Cb 0.35 -0.57 0.60 0.00 -0.61 0.00 0.00 39.78 39.55 3k4l n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4l h ILE 100 N 1.68 1.00 -0.13 2.41 6.09 -1.43 -0.60 117.51 126.53 3k4l h ILE 100 Ca 0.03 -0.30 0.04 0.00 -1.37 0.00 0.00 64.86 63.26 3k4l h ILE 100 Cb 1.04 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.49 3k4l h ILE 100 CO 0.50 0.09 0.51 -2.24 -3.07 0.00 0.00 178.15 173.93 3k4l h ASP 101 N 0.00 0.00 0.40 2.19 3.04 -1.92 -1.87 116.42 118.27 3k4l h ASP 101 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3k4l h ASP 101 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 3k4l h ASP 101 CO 0.01 0.00 -0.85 0.29 -2.04 0.00 0.00 179.24 176.65 3k4l n LYS 102 N -3.01 0.16 0.25 4.15 4.76 -0.23 -4.23 118.16 120.00 3k4l n LYS 102 Ca 0.01 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.60 3k4l n LYS 102 Cb 0.58 -1.56 0.57 0.00 -1.84 0.00 0.00 35.03 32.79 3k4l n LYS 102 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3k4l h PHE 103 N 0.00 0.00 -0.54 2.13 3.57 -1.48 -2.59 116.94 118.03 3k4l h PHE 103 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3k4l h PHE 103 Cb 0.63 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3k4l h PHE 103 CO 0.00 0.10 0.37 -0.24 -2.23 0.00 0.00 178.31 176.30 3k4l h VAL 104 N 0.00 0.87 -0.26 1.41 3.04 -1.74 -0.37 116.25 119.20 3k4l h VAL 104 Ca -0.00 -0.10 -0.14 0.00 -1.01 0.00 0.00 66.70 65.45 3k4l h VAL 104 Cb 0.63 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 3k4l h VAL 104 CO 0.01 0.05 -0.42 0.78 -1.01 0.00 0.00 177.57 176.99 3k4l h ASN 105 N 0.29 0.67 -0.48 3.17 4.21 -1.76 -1.22 115.58 120.46 3k4l h ASN 105 Ca 0.25 -0.31 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 3k4l h ASN 105 Cb 0.60 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 3k4l h ASN 105 CO -0.06 1.00 0.30 0.58 -1.29 0.00 0.00 177.43 177.96 3k4l h VAL 106 N 0.51 1.14 0.31 2.81 2.07 -1.19 -1.52 116.25 120.37 3k4l h VAL 106 Ca 0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3k4l h VAL 106 Cb 0.94 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3k4l h VAL 106 CO 0.08 0.14 -0.32 0.40 0.02 0.00 0.00 177.57 177.90 3k4l h ILE 107 N 0.64 0.34 -0.80 4.57 2.04 -1.28 -2.86 117.51 120.16 3k4l h ILE 107 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 3k4l h ILE 107 Cb -0.03 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3k4l h ILE 107 CO -0.03 0.00 0.53 1.56 0.00 0.00 0.00 178.15 180.20 3k4l h GLN 108 N -0.66 0.99 0.00 2.37 4.20 -1.14 -1.74 115.11 119.14 3k4l h GLN 108 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3k4l h GLN 108 Cb 0.60 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3k4l h GLN 108 CO -0.07 0.66 0.00 0.78 -0.67 0.00 0.00 178.83 179.53 3k4l h GLY 109 N 1.02 0.00 -0.74 3.46 0.00 -1.04 -3.09 103.07 102.68 3k4l h GLY 109 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3k4l h GLY 109 CO -0.08 0.00 -0.34 0.61 0.00 0.00 0.00 176.54 176.74 3k4l n GLN 110 N -2.39 0.62 -3.63 4.80 10.64 -0.67 -4.94 117.38 121.81 3k4l n GLN 110 Ca -0.01 -1.86 -0.40 0.00 -1.83 0.00 0.00 57.00 52.90 3k4l n GLN 110 Cb 0.07 -0.94 -0.10 0.00 -0.86 0.00 0.00 30.24 28.41 3k4l n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4l s LEU 111 N -1.37 5.13 -0.27 2.61 1.43 -1.09 -3.85 118.68 121.27 3k4l s LEU 111 Ca 0.18 -1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 51.62 3k4l s LEU 111 Cb 0.16 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3k4l s LEU 111 CO -0.00 -0.53 0.17 -0.04 0.23 0.00 0.00 176.35 176.17 3k4l s MET 112 N 1.40 3.94 0.34 1.70 -1.94 0.08 -4.83 119.30 119.98 3k4l s MET 112 Ca 0.03 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.39 3k4l s MET 112 Cb -0.23 -3.59 -0.11 0.00 2.01 0.00 0.00 34.83 32.90 3k4l s MET 112 CO 0.01 -0.13 1.55 0.43 -0.01 0.00 0.00 175.02 176.87 3k4l n SER 113 N 4.89 3.87 -0.03 3.03 7.64 -1.26 -0.83 113.62 130.92 3k4l n SER 113 Ca -0.14 1.19 -0.14 0.00 1.01 0.00 0.00 58.87 60.79 3k4l n SER 113 Cb 0.52 -1.61 -0.09 0.00 -1.01 0.00 0.00 64.21 62.02 3k4l n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4l h VAL 114 N 3.16 1.41 -2.69 0.44 2.07 -1.40 -3.45 116.25 115.79 3k4l h VAL 114 Ca -0.49 -1.42 -0.31 0.00 0.82 0.00 0.00 66.70 65.31 3k4l h VAL 114 Cb 1.23 2.20 -0.36 0.00 -1.52 0.00 0.00 31.29 32.84 3k4l h VAL 114 CO 0.72 0.39 -0.62 -0.55 0.02 0.00 0.00 177.57 177.53 3k4l s SER 115 N -6.03 1.17 -0.23 0.57 0.15 -1.26 -4.63 113.70 103.44 3k4l s SER 115 Ca -0.15 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 3k4l s SER 115 Cb 0.03 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3k4l s SER 115 CO 0.72 -0.30 0.00 -0.69 1.20 0.00 0.00 173.24 174.18 3k4l s VAL 116 N 2.32 3.77 0.89 4.45 1.01 -1.26 -4.77 120.40 126.81 3k4l s VAL 116 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 3k4l s VAL 116 Cb -0.15 -2.74 0.12 0.00 0.00 0.00 0.00 36.38 33.62 3k4l s VAL 116 CO -0.10 0.39 1.10 -2.16 0.00 0.00 0.00 175.10 174.33 3k4l s PRO 117 N 1.50 1.33 0.19 2.72 0.04 -1.26 0.35 135.00 139.86 3k4l s PRO 117 Ca 0.06 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.38 3k4l s PRO 117 Cb -0.15 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 3k4l s PRO 117 CO -0.00 -2.14 1.54 0.08 0.04 0.00 0.00 177.00 176.52 3k4l s VAL 118 N -3.08 2.60 -0.05 -0.36 1.01 -1.26 -4.68 120.40 114.57 3k4l s VAL 118 Ca 0.63 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3k4l s VAL 118 Cb -0.16 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3k4l s VAL 118 CO 0.55 0.04 0.99 0.21 0.00 0.00 0.00 175.10 176.89 3k4l s ASN 119 N 0.95 7.30 -0.19 3.32 3.84 -1.26 -4.96 114.94 123.93 3k4l s ASN 119 Ca 0.67 1.59 0.14 0.00 0.21 0.00 0.00 52.86 55.47 3k4l s ASN 119 Cb -0.44 -2.56 0.39 0.00 -0.55 0.00 0.00 41.25 38.09 3k4l s ASN 119 CO 0.35 -0.35 1.23 0.35 -2.79 0.00 0.00 177.10 175.88 3k4l n THR 120 N 4.22 2.13 -2.33 -5.21 -2.24 -1.26 -4.85 114.28 104.73 3k4l n THR 120 Ca 0.07 -2.77 -0.41 0.00 -2.27 0.00 0.00 64.05 58.67 3k4l n THR 120 Cb 0.50 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 3k4l n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4l s LEU 121 N -3.09 4.49 -0.24 3.22 1.43 -1.26 -4.97 118.68 118.26 3k4l s LEU 121 Ca 0.37 2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 55.72 3k4l s LEU 121 Cb 0.34 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3k4l s LEU 121 CO -0.02 -0.32 0.37 -0.69 0.23 0.00 0.00 176.35 175.92 3k4l s VAL 122 N -0.89 5.20 -0.45 -1.59 1.01 -1.26 -5.02 120.40 117.40 3k4l s VAL 122 Ca 0.48 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 3k4l s VAL 122 Cb -0.35 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.45 3k4l s VAL 122 CO 0.44 0.21 0.22 -0.69 0.00 0.00 0.00 175.10 175.28 3k4l s VAL 123 N 1.64 3.07 -0.24 2.92 1.01 -1.26 -4.95 120.40 122.59 3k4l s VAL 123 Ca 0.16 -2.45 0.16 0.00 0.00 0.00 0.00 61.98 59.86 3k4l s VAL 123 Cb -0.15 -3.11 0.43 0.00 0.00 0.00 0.00 36.38 33.54 3k4l s VAL 123 CO 0.08 -0.72 1.32 -0.90 0.00 0.00 0.00 175.10 174.89 3k4l n ASP 124 N 4.13 3.35 -1.11 3.32 5.75 -1.26 -4.45 116.55 126.28 3k4l n ASP 124 Ca 0.02 -2.87 -0.01 0.00 -0.01 0.00 0.00 54.79 51.91 3k4l n ASP 124 Cb 0.40 -0.46 0.21 0.00 -1.03 0.00 0.00 41.12 40.24 3k4l n ASP 124 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3k4l n THR 125 N -0.61 2.49 -1.72 2.12 -2.24 -1.26 -5.01 114.28 108.06 3k4l n THR 125 Ca 0.18 -2.46 -0.33 0.00 -2.27 0.00 0.00 64.05 59.17 3k4l n THR 125 Cb 0.75 -0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 3k4l n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4l s LEU 126 N -3.13 3.37 0.44 3.22 1.43 -1.26 -5.00 118.68 117.76 3k4l s LEU 126 Ca 0.44 2.00 -0.24 0.00 -1.03 0.00 0.00 54.13 55.31 3k4l s LEU 126 Cb 0.39 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 3k4l s LEU 126 CO 0.03 -1.67 1.18 -0.55 0.23 0.00 0.00 176.35 175.56 3k4l s SER 127 N -2.61 6.24 0.57 2.29 0.15 -1.26 -4.91 113.70 114.18 3k4l s SER 127 Ca 0.67 2.35 0.30 0.00 0.70 0.00 0.00 55.95 59.97 3k4l s SER 127 Cb -0.21 -2.61 1.44 0.00 -1.71 0.00 0.00 66.02 62.94 3k4l s SER 127 CO 0.42 -0.87 1.83 -0.65 1.20 0.00 0.00 173.24 175.17 3k4l h PRO 128 N 2.21 0.00 0.00 5.44 0.11 -2.00 -1.83 132.00 135.93 3k4l h PRO 128 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k4l h PRO 128 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k4l h PRO 128 CO 0.61 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.19 3k4l h THR 129 N 0.00 0.00 -3.94 -1.15 1.35 -2.04 -3.47 112.91 103.67 3k4l h THR 129 Ca 0.34 -0.81 -0.48 0.00 -0.55 0.00 0.00 66.41 64.91 3k4l h THR 129 Cb 1.62 1.80 0.01 0.00 -1.73 0.00 0.00 68.15 69.85 3k4l h THR 129 CO -0.00 0.00 0.41 -0.44 -0.25 0.00 0.00 175.52 175.23 3k4l s SER 130 N -5.74 6.88 0.28 5.36 0.01 -0.69 -4.99 113.70 114.81 3k4l s SER 130 Ca 0.07 2.03 -0.29 0.00 1.31 0.00 0.00 55.95 59.07 3k4l s SER 130 Cb 0.07 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 3k4l s SER 130 CO 0.63 -0.40 1.39 0.86 0.41 0.00 0.00 173.24 176.13 3k4l s TRP 131 N -1.61 3.01 -0.07 2.43 -0.00 -1.26 -4.93 118.94 116.50 3k4l s TRP 131 Ca 0.56 1.18 -0.06 0.00 -0.00 0.00 0.00 56.10 57.77 3k4l s TRP 131 Cb -0.22 -3.77 0.02 0.00 -0.00 0.00 0.00 33.47 29.49 3k4l s TRP 131 CO 0.28 -2.37 0.19 -0.65 -0.00 0.00 0.00 176.95 174.40 3k4l s GLN 132 N -0.97 0.21 0.69 5.86 -1.52 -1.26 -5.12 119.66 117.55 3k4l s GLN 132 Ca 0.55 0.28 -0.10 0.00 -1.95 0.00 0.00 55.36 54.14 3k4l s GLN 132 Cb -0.41 0.07 0.02 0.00 -0.22 0.00 0.00 33.01 32.46 3k4l s GLN 132 CO 0.48 -0.04 1.06 0.00 -0.25 0.00 0.00 175.29 176.53 3k4l s ALA 133 N 0.25 2.97 -2.40 6.09 0.00 -1.26 -4.96 121.76 122.45 3k4l s ALA 133 Ca -0.01 -0.43 0.24 0.00 0.00 0.00 0.00 51.96 51.76 3k4l s ALA 133 Cb -0.03 -2.94 0.22 0.00 0.00 0.00 0.00 23.12 20.38 3k4l s ALA 133 CO -0.01 -1.09 1.25 0.43 0.00 0.00 0.00 175.76 176.34 3k4l n SER 134 N -2.93 2.24 -4.22 0.00 7.64 -1.26 -4.97 113.62 110.12 3k4l n SER 134 Ca 0.06 -1.63 -0.13 0.00 1.01 0.00 0.00 58.87 58.19 3k4l n SER 134 Cb 0.57 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.91 3k4l n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4l s THR 135 N -2.27 0.27 -1.23 0.44 -4.23 -1.26 -5.06 115.64 102.29 3k4l s THR 135 Ca 0.24 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.69 3k4l s THR 135 Cb 0.19 -2.35 0.20 0.00 1.34 0.00 0.00 72.50 71.88 3k4l s THR 135 CO 0.45 -0.20 1.72 0.49 -0.54 0.00 0.00 174.62 176.54 3k4l n PHE 136 N -0.26 3.19 -1.58 3.99 3.72 -1.26 -4.99 117.46 120.26 3k4l n PHE 136 Ca -0.02 -2.87 -0.30 0.00 -0.05 0.00 0.00 57.45 54.22 3k4l n PHE 136 Cb 0.65 -1.86 0.10 0.00 -0.94 0.00 0.00 39.48 37.44 3k4l n PHE 136 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3k4l s PHE 137 N -0.05 2.76 -0.22 1.38 -0.71 -1.26 -4.90 117.98 114.98 3k4l s PHE 137 Ca 0.38 1.03 -0.29 0.00 -1.04 0.00 0.00 56.93 57.01 3k4l s PHE 137 Cb 0.06 -3.22 -0.02 0.00 -1.21 0.00 0.00 43.02 38.64 3k4l s PHE 137 CO 0.02 -1.93 1.45 0.08 -1.34 0.00 0.00 175.22 173.51 3k4l s VAL 138 N -3.22 3.93 0.16 -2.49 1.01 -1.26 -4.82 120.40 113.72 3k4l s VAL 138 Ca 0.62 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 3k4l s VAL 138 Cb -0.14 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3k4l s VAL 138 CO 0.54 -0.31 0.18 0.00 0.00 0.00 0.00 175.10 175.51 3k4l s ARG 139 N 4.24 1.11 -1.45 2.72 3.03 -1.26 -4.93 118.95 122.41 3k4l s ARG 139 Ca 0.64 -1.37 -0.11 0.00 2.03 0.00 0.00 55.73 56.92 3k4l s ARG 139 Cb -0.22 0.31 0.07 0.00 -1.03 0.00 0.00 34.95 34.08 3k4l s ARG 139 CO 0.25 -0.37 0.74 0.09 -1.13 0.00 0.00 175.30 174.87 3k4l n ASN 140 N -0.19 -4.65 -0.17 -2.89 3.02 -1.26 -1.49 115.26 107.63 3k4l n ASN 140 Ca -0.04 -0.56 -0.02 0.00 -0.03 0.00 0.00 54.58 53.93 3k4l n ASN 140 Cb 0.64 -3.76 -0.01 0.00 -0.61 0.00 0.00 39.78 36.04 3k4l n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4l n GLY 141 N -1.47 0.53 3.76 7.41 0.00 -1.26 -5.02 105.19 109.14 3k4l n GLY 141 Ca -0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3k4l n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4l s SER 142 N -2.34 5.15 -0.46 1.61 1.04 -0.56 -4.77 113.70 113.37 3k4l s SER 142 Ca 0.00 2.10 -0.16 0.00 0.48 0.00 0.00 55.95 58.37 3k4l s SER 142 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.61 3k4l s SER 142 CO 0.00 -1.60 0.42 0.21 0.98 0.00 0.00 173.24 173.24 3k4l s ASN 143 N -2.28 6.16 0.08 7.02 2.47 0.16 -4.76 114.94 123.79 3k4l s ASN 143 Ca 0.70 -1.14 0.18 0.00 0.42 0.00 0.00 52.86 53.02 3k4l s ASN 143 Cb -0.23 -2.20 0.75 0.00 -1.45 0.00 0.00 41.25 38.13 3k4l s ASN 143 CO 0.38 -0.65 1.56 -0.81 -3.72 0.00 0.00 177.10 173.87 3k4l n PRO 144 N 5.38 0.06 0.22 0.43 -0.04 -1.26 -2.23 135.00 137.56 3k4l n PRO 144 Ca -0.11 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 3k4l n PRO 144 Cb 0.45 -1.62 0.48 0.00 -0.04 0.00 0.00 33.50 32.77 3k4l n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4l h GLU 145 N 0.00 0.00 -6.03 0.54 4.39 -1.96 -3.46 114.58 108.06 3k4l h GLU 145 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 3k4l h GLU 145 Cb 0.30 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 3k4l h GLU 145 CO 0.00 0.24 0.65 -1.14 -1.16 0.00 0.00 179.01 177.60 3k4l s GLN 146 N -3.76 4.08 -0.12 2.33 2.00 -0.95 -5.01 119.66 118.23 3k4l s GLN 146 Ca -0.00 0.96 -0.29 0.00 -2.00 0.00 0.00 55.36 54.02 3k4l s GLN 146 Cb 0.11 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 30.18 3k4l s GLN 146 CO 0.64 -0.74 1.57 0.34 -0.50 0.00 0.00 175.29 176.60 3k4l s ASP 147 N 1.52 6.64 0.32 6.67 -1.08 -1.26 -4.67 116.67 124.81 3k4l s ASP 147 Ca 0.40 1.96 0.25 0.00 -0.52 0.00 0.00 52.55 54.65 3k4l s ASP 147 Cb -0.14 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 39.90 3k4l s ASP 147 CO 0.12 -0.98 1.76 1.55 0.52 0.00 0.00 175.17 178.14 3k4l h PRO 148 N 9.60 0.00 -0.29 4.34 0.13 -1.95 -2.56 132.00 141.27 3k4l h PRO 148 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3k4l h PRO 148 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3k4l h PRO 148 CO 0.97 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 3k4l n LEU 149 N -2.39 2.96 -2.36 1.56 4.77 -1.26 -4.16 117.00 116.12 3k4l n LEU 149 Ca 0.01 -1.23 -0.07 0.00 -0.03 0.00 0.00 56.01 54.69 3k4l n LEU 149 Cb 0.21 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3k4l n LEU 149 CO 0.19 0.62 0.07 0.54 -1.33 0.00 0.00 177.39 177.48 3k4l n ARG 150 N 1.18 2.14 -3.35 3.23 1.74 -0.96 -4.97 116.66 115.67 3k4l n ARG 150 Ca 0.18 -3.56 -0.20 0.00 -0.77 0.00 0.00 57.85 53.50 3k4l n ARG 150 Cb 0.54 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 3k4l n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4l s ASN 151 N -3.55 5.26 -0.87 0.55 2.47 -1.23 -0.76 114.94 116.81 3k4l s ASN 151 Ca 0.35 -0.65 -0.00 0.00 0.42 0.00 0.00 52.86 52.98 3k4l s ASN 151 Cb 0.36 -0.53 0.22 0.00 -1.45 0.00 0.00 41.25 39.84 3k4l s ASN 151 CO -0.03 -0.74 0.77 0.18 -3.72 0.00 0.00 177.10 173.57 3k4l n LEU 152 N -1.70 4.11 0.29 3.21 4.77 -1.26 -4.77 117.00 121.65 3k4l n LEU 152 Ca 0.06 -5.16 0.16 0.00 -0.03 0.00 0.00 56.01 51.03 3k4l n LEU 152 Cb 0.61 -1.04 0.85 0.00 -2.33 0.00 0.00 43.42 41.51 3k4l n LEU 152 CO 0.41 1.62 1.04 0.77 -1.33 0.00 0.00 177.39 179.90 3k4l h SER 153 N 5.80 0.00 1.46 -1.43 4.64 -1.72 -1.46 113.55 120.83 3k4l h SER 153 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3k4l h SER 153 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3k4l h SER 153 CO 0.86 0.06 -0.17 1.23 -0.87 0.00 0.00 176.83 177.94 3k4l h GLY 154 N 0.73 0.00 -3.97 -0.77 0.00 -0.79 -3.46 103.07 94.81 3k4l h GLY 154 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3k4l h GLY 154 CO 0.01 0.00 0.75 1.20 0.00 0.00 0.00 176.54 178.50 3k4l s GLN 155 N -3.15 4.18 0.12 4.80 -1.52 -0.55 -3.76 119.66 119.77 3k4l s GLN 155 Ca 0.08 2.48 -0.17 0.00 -1.95 0.00 0.00 55.36 55.80 3k4l s GLN 155 Cb 0.11 -3.00 0.04 0.00 -0.22 0.00 0.00 33.01 29.93 3k4l s GLN 155 CO 0.65 -0.46 0.41 0.00 -0.25 0.00 0.00 175.29 175.64 3k4l s ALA 156 N -0.98 -0.97 0.24 6.09 0.00 -1.26 -1.02 121.76 123.87 3k4l s ALA 156 Ca 0.53 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.61 3k4l s ALA 156 Cb -0.45 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3k4l s ALA 156 CO 0.59 -0.63 -0.18 0.14 0.00 0.00 0.00 175.76 175.67 3k4l s VAL 157 N -3.65 2.20 -0.20 0.00 -7.23 -0.01 -4.84 120.40 106.67 3k4l s VAL 157 Ca 0.02 -2.29 0.01 0.00 -1.81 0.00 0.00 61.98 57.90 3k4l s VAL 157 Cb 0.01 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.82 3k4l s VAL 157 CO -0.11 -0.44 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.27 3k4l s THR 158 N -2.56 1.51 -0.75 5.32 2.01 -1.25 -0.74 115.64 119.18 3k4l s THR 158 Ca 0.26 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 3k4l s THR 158 Cb -0.04 -1.65 0.20 0.00 0.01 0.00 0.00 72.50 71.02 3k4l s THR 158 CO 0.12 0.11 0.63 -0.13 -0.69 0.00 0.00 174.62 174.66 3k4l s ARG 159 N 1.44 3.14 0.03 4.92 0.52 -1.26 -4.59 118.95 123.15 3k4l s ARG 159 Ca -0.02 -2.58 -0.17 0.00 -0.52 0.00 0.00 55.73 52.44 3k4l s ARG 159 Cb -0.17 -4.09 0.03 0.00 0.52 0.00 0.00 34.95 31.25 3k4l s ARG 159 CO -0.08 -1.23 0.38 0.14 0.02 0.00 0.00 175.30 174.53 3k4l s VAL 160 N -0.10 0.06 0.18 3.52 -7.23 -1.26 -4.31 120.40 111.26 3k4l s VAL 160 Ca 0.19 -0.50 -0.32 0.00 -1.81 0.00 0.00 61.98 59.53 3k4l s VAL 160 Cb -0.15 -0.90 -0.11 0.00 0.56 0.00 0.00 36.38 35.79 3k4l s VAL 160 CO -0.07 -0.28 1.65 -0.69 -0.31 0.00 0.00 175.10 175.41 3k4l s VAL 161 N -2.27 2.35 0.00 1.32 1.01 -0.64 -0.69 120.40 121.48 3k4l s VAL 161 Ca -0.07 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3k4l s VAL 161 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3k4l s VAL 161 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3k4l n GLY 162 N 3.88 0.85 7.00 4.51 0.00 -0.96 -4.18 105.19 116.30 3k4l n GLY 162 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3k4l n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4l n GLY 163 N -2.00 1.75 0.16 -0.02 0.00 0.14 -2.13 105.19 103.08 3k4l n GLY 163 Ca 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.71 3k4l n GLY 163 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k4l h MET 164 N 0.00 0.00 0.00 1.61 2.86 -1.87 -2.69 114.93 114.84 3k4l h MET 164 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3k4l h MET 164 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3k4l h MET 164 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 3k4l n SER 165 N -2.36 0.00 0.00 1.22 3.41 -0.90 -1.76 113.62 113.22 3k4l n SER 165 Ca 0.02 -0.25 0.14 0.00 -0.26 0.00 0.00 58.87 58.51 3k4l n SER 165 Cb 0.22 -0.16 0.55 0.00 -0.26 0.00 0.00 64.21 64.56 3k4l n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4l n THR 166 N -1.16 0.02 -0.43 6.66 -2.24 -1.01 -4.27 114.28 111.84 3k4l n THR 166 Ca 0.11 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3k4l n THR 166 Cb 0.11 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3k4l n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4l n HIS 167 N -1.52 0.00 -1.14 4.78 1.44 -0.72 -0.99 115.22 117.07 3k4l n HIS 167 Ca 0.07 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.47 3k4l n HIS 167 Cb 0.34 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.58 3k4l n HIS 167 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 3k4l s TRP 168 N -0.11 2.30 -0.51 -1.40 1.48 -0.89 -4.96 118.94 114.84 3k4l s TRP 168 Ca 0.00 1.44 0.24 0.00 -1.06 0.00 0.00 56.10 56.71 3k4l s TRP 168 Cb 0.00 -3.13 0.46 0.00 -1.16 0.00 0.00 33.47 29.63 3k4l s TRP 168 CO 0.00 -2.27 1.65 1.15 -4.06 0.00 0.00 176.95 173.42 3k4l h THR 169 N -1.47 0.00 -0.02 0.66 2.02 -1.96 -3.48 112.91 108.66 3k4l h THR 169 Ca -0.47 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 3k4l h THR 169 Cb 1.26 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3k4l h THR 169 CO 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 176.40 3k4l s ALA 171 N -2.00 3.45 -0.53 0.00 0.00 -1.26 -0.72 121.76 120.71 3k4l s ALA 171 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.54 3k4l s ALA 171 Cb 0.00 -3.77 0.23 0.00 0.00 0.00 0.00 23.12 19.58 3k4l s ALA 171 CO 0.00 -1.63 0.58 0.25 0.00 0.00 0.00 175.76 174.96 3k4l n THR 172 N 5.94 0.68 -2.70 0.00 -2.24 0.01 -4.82 114.28 111.15 3k4l n THR 172 Ca 0.17 -4.49 -0.33 0.00 -2.27 0.00 0.00 64.05 57.13 3k4l n THR 172 Cb 0.45 -2.00 -0.06 0.00 -2.10 0.00 0.00 70.33 66.62 3k4l n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4l s PRO 173 N -1.53 4.12 0.51 -0.78 0.04 -1.26 -4.76 135.00 131.35 3k4l s PRO 173 Ca 0.35 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 3k4l s PRO 173 Cb 0.12 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3k4l s PRO 173 CO -0.09 -0.10 1.02 1.03 0.04 0.00 0.00 177.00 178.89 3k4l s ARG 174 N -3.46 3.77 0.12 4.56 0.52 -1.26 -4.71 118.95 118.48 3k4l s ARG 174 Ca 0.61 1.17 -0.22 0.00 -0.52 0.00 0.00 55.73 56.77 3k4l s ARG 174 Cb -0.09 -2.10 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 3k4l s ARG 174 CO 0.19 -0.44 0.67 -0.06 0.02 0.00 0.00 175.30 175.69 3k4l s PHE 175 N -2.31 3.85 0.88 -0.53 0.08 -1.26 -5.01 117.98 113.68 3k4l s PHE 175 Ca 0.63 1.45 -0.12 0.00 0.12 0.00 0.00 56.93 59.01 3k4l s PHE 175 Cb -0.13 -2.63 0.12 0.00 -0.57 0.00 0.00 43.02 39.81 3k4l s PHE 175 CO 0.27 0.55 1.16 0.16 -0.10 0.00 0.00 175.22 177.25 3k4l s ASP 176 N -1.15 3.80 0.37 1.36 -4.77 -1.26 -4.88 116.67 110.14 3k4l s ASP 176 Ca 0.33 0.86 0.07 0.00 -3.30 0.00 0.00 52.55 50.51 3k4l s ASP 176 Cb -0.21 -1.37 0.79 0.00 -1.09 0.00 0.00 42.92 41.04 3k4l s ASP 176 CO 0.23 -2.36 1.94 0.03 0.70 0.00 0.00 175.17 175.71 3k4l h ARG 177 N -1.37 0.69 -0.08 2.11 3.08 -1.98 -1.86 114.38 114.97 3k4l h ARG 177 Ca -0.48 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.55 3k4l h ARG 177 Cb 1.33 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3k4l h ARG 177 CO 0.62 0.45 0.09 1.49 -1.07 0.00 0.00 179.97 181.55 3k4l h GLU 178 N 0.71 0.00 -0.01 0.04 4.81 -1.98 -2.87 114.58 115.27 3k4l h GLU 178 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3k4l h GLU 178 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3k4l h GLU 178 CO -0.12 0.00 -0.27 1.04 -0.73 0.00 0.00 179.01 178.93 3k4l n GLN 179 N -3.83 1.58 -4.95 1.92 6.02 -0.71 -4.87 117.38 112.54 3k4l n GLN 179 Ca -0.01 -1.04 -0.32 0.00 -0.01 0.00 0.00 57.00 55.62 3k4l n GLN 179 Cb 0.19 -1.33 -0.14 0.00 1.02 0.00 0.00 30.24 29.99 3k4l n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4l s ARG 180 N -1.90 2.29 0.61 -1.09 3.52 -1.09 -4.53 118.95 116.76 3k4l s ARG 180 Ca 0.16 -0.83 -0.16 0.00 -0.13 0.00 0.00 55.73 54.77 3k4l s ARG 180 Cb 0.14 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 3k4l s ARG 180 CO 0.39 0.59 1.08 -1.25 -0.81 0.00 0.00 175.30 175.29 3k4l s PRO 181 N -0.87 3.18 0.28 5.12 0.04 -1.26 -4.94 135.00 136.56 3k4l s PRO 181 Ca 0.12 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 3k4l s PRO 181 Cb -0.10 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 3k4l s PRO 181 CO 0.01 -0.93 1.17 -0.51 0.04 0.00 0.00 177.00 176.78 3k4l s LEU 182 N -4.54 4.51 -0.03 -3.56 1.43 -1.26 -4.93 118.68 110.29 3k4l s LEU 182 Ca 0.65 2.38 0.13 0.00 -1.03 0.00 0.00 54.13 56.27 3k4l s LEU 182 Cb -0.18 -3.63 -0.20 0.00 0.03 0.00 0.00 46.19 42.21 3k4l s LEU 182 CO 0.37 -0.28 0.27 0.18 0.23 0.00 0.00 176.35 177.12 3k4l n LEU 183 N 1.23 0.00 -4.00 1.79 4.77 -1.26 -4.94 117.00 114.59 3k4l n LEU 183 Ca -0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3k4l n LEU 183 Cb 0.44 0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 3k4l n LEU 183 CO 0.56 0.03 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.50 3k4l s VAL 184 N -2.86 0.97 0.03 4.08 1.01 -1.26 -5.04 120.40 117.33 3k4l s VAL 184 Ca -0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3k4l s VAL 184 Cb 0.08 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 3k4l s VAL 184 CO 0.54 0.31 0.37 -1.59 0.00 0.00 0.00 175.10 174.74 3k4l s LYS 185 N 0.62 3.77 -1.06 2.72 -2.85 -1.26 -4.41 119.74 117.27 3k4l s LYS 185 Ca -0.12 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 3k4l s LYS 185 Cb -0.14 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.53 3k4l s LYS 185 CO 0.02 0.63 0.00 -0.25 0.10 0.00 0.00 175.35 175.86 3k4l n ASP 186 N 1.34 -3.92 -3.02 0.03 8.00 -1.26 -4.91 116.55 112.80 3k4l n ASP 186 Ca -0.11 0.01 0.01 0.00 0.71 0.00 0.00 54.79 55.41 3k4l n ASP 186 Cb 0.53 -3.09 -0.00 0.00 -0.02 0.00 0.00 41.12 38.53 3k4l n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4l s ASP 187 N -2.48 -1.02 0.17 -2.24 3.68 -1.26 -5.05 116.67 108.48 3k4l s ASP 187 Ca 0.00 -0.51 -0.09 0.00 2.13 0.00 0.00 52.55 54.08 3k4l s ASP 187 Cb 0.00 1.30 0.05 0.00 -1.45 0.00 0.00 42.92 42.82 3k4l s ASP 187 CO 0.00 -0.11 1.56 0.00 0.13 0.00 0.00 175.17 176.75 3k4l h ALA 188 N 6.33 0.72 -0.55 3.66 0.00 -1.91 -1.28 119.26 126.23 3k4l h ALA 188 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3k4l h ALA 188 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3k4l h ALA 188 CO 0.03 0.67 0.03 -0.44 0.00 0.00 0.00 179.25 179.54 3k4l h ASP 189 N 0.80 0.88 -0.50 0.00 3.32 -1.98 0.70 116.42 119.64 3k4l h ASP 189 Ca 0.10 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3k4l h ASP 189 Cb 0.81 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3k4l h ASP 189 CO 0.07 0.92 0.11 0.00 -1.72 0.00 0.00 179.24 178.62 3k4l h ALA 190 N 1.18 0.65 -0.01 3.45 0.00 -1.95 -0.94 119.26 121.65 3k4l h ALA 190 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k4l h ALA 190 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3k4l h ALA 190 CO 0.02 0.36 -0.01 0.22 0.00 0.00 0.00 179.25 179.83 3k4l h ASP 191 N 0.68 -0.04 -0.57 0.00 3.58 -0.90 -1.18 116.42 117.99 3k4l h ASP 191 Ca 0.15 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.71 3k4l h ASP 191 Cb 0.35 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.34 3k4l h ASP 191 CO 0.00 -0.02 0.13 0.44 -2.88 0.00 0.00 179.24 176.92 3k4l h ASP 192 N -0.02 0.03 -0.51 2.28 3.32 -0.78 -1.41 116.42 119.33 3k4l h ASP 192 Ca 0.01 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3k4l h ASP 192 Cb 0.03 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3k4l h ASP 192 CO -0.02 0.03 0.13 0.00 -1.72 0.00 0.00 179.24 177.66 3k4l h ALA 193 N 1.44 1.17 -0.14 3.45 0.00 -0.94 0.08 119.26 124.33 3k4l h ALA 193 Ca 0.29 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3k4l h ALA 193 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k4l h ALA 193 CO -0.36 0.56 -0.22 1.49 0.00 0.00 0.00 179.25 180.72 3k4l h GLU 194 N 0.84 0.39 -0.76 0.00 4.57 -0.80 -1.62 114.58 117.21 3k4l h GLU 194 Ca 0.18 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3k4l h GLU 194 Cb 0.31 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 3k4l h GLU 194 CO -0.00 0.83 0.49 -1.49 -1.18 0.00 0.00 179.01 177.66 3k4l h TRP 195 N -0.01 0.92 -0.82 0.92 4.06 -1.14 -0.99 115.95 118.90 3k4l h TRP 195 Ca 0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 3k4l h TRP 195 Cb 0.80 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 3k4l h TRP 195 CO 0.10 0.55 0.46 0.22 -3.56 0.00 0.00 178.44 176.20 3k4l h ASP 196 N 0.97 1.01 -0.25 -3.49 3.58 -0.88 0.11 116.42 117.47 3k4l h ASP 196 Ca 0.29 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3k4l h ASP 196 Cb -0.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3k4l h ASP 196 CO -0.09 0.81 0.14 -0.09 -2.88 0.00 0.00 179.24 177.13 3k4l h ARG 197 N 1.13 0.35 -0.34 0.28 2.43 -0.84 -1.14 114.38 116.26 3k4l h ARG 197 Ca 0.29 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3k4l h ARG 197 Cb 0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3k4l h ARG 197 CO -0.05 0.31 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.49 3k4l h LEU 198 N 0.29 0.72 -1.03 3.80 3.38 -1.03 -2.52 115.31 118.93 3k4l h LEU 198 Ca 0.09 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 3k4l h LEU 198 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3k4l h LEU 198 CO -0.01 0.97 -0.15 1.88 0.09 0.00 0.00 178.44 181.22 3k4l h TYR 199 N 0.48 0.57 -0.62 1.13 0.05 -0.75 -0.26 116.97 117.56 3k4l h TYR 199 Ca 0.08 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 3k4l h TYR 199 Cb 0.70 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 3k4l h TYR 199 CO 0.06 0.65 0.11 1.15 -1.05 0.00 0.00 178.16 179.08 3k4l h THR 200 N 0.48 1.26 -0.39 -2.88 2.02 -1.16 0.38 112.91 112.61 3k4l h THR 200 Ca 0.08 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 3k4l h THR 200 Cb 0.54 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3k4l h THR 200 CO 0.03 0.37 0.05 0.50 0.37 0.00 0.00 175.52 176.84 3k4l h LYS 201 N 0.94 0.66 -0.55 6.66 3.64 -1.09 -2.27 116.57 124.56 3k4l h LYS 201 Ca 0.19 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3k4l h LYS 201 Cb 0.42 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3k4l h LYS 201 CO 0.01 0.73 0.36 0.00 -2.27 0.00 0.00 179.45 178.28 3k4l h ALA 202 N 0.91 0.69 -0.84 5.00 0.00 -0.69 -0.76 119.26 123.58 3k4l h ALA 202 Ca 0.12 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3k4l h ALA 202 Cb 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3k4l h ALA 202 CO 0.01 0.14 0.55 0.93 0.00 0.00 0.00 179.25 180.88 3k4l h GLU 203 N 0.74 1.00 -0.07 0.00 5.08 -0.83 -1.26 114.58 119.24 3k4l h GLU 203 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3k4l h GLU 203 Cb -0.08 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 3k4l h GLU 203 CO -0.04 0.66 0.03 1.03 -1.00 0.00 0.00 179.01 179.69 3k4l h SER 204 N 1.03 0.10 -0.71 1.42 0.87 -0.80 0.99 113.55 116.46 3k4l h SER 204 Ca 0.34 -0.18 0.10 0.00 -1.23 0.00 0.00 61.79 60.82 3k4l h SER 204 Cb 0.04 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.90 3k4l h SER 204 CO -0.10 0.25 0.33 1.88 -0.53 0.00 0.00 176.83 178.66 3k4l h TYR 205 N -0.05 0.59 0.00 2.24 -1.99 -0.76 -2.41 116.97 114.59 3k4l h TYR 205 Ca 0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3k4l h TYR 205 Cb 0.18 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.76 3k4l h TYR 205 CO -0.01 0.18 -0.34 1.19 -0.00 0.00 0.00 178.16 179.18 3k4l n PHE 206 N -4.91 0.20 -3.56 4.88 3.72 -0.51 -4.04 117.46 113.24 3k4l n PHE 206 Ca 0.12 0.06 -0.19 0.00 -0.05 0.00 0.00 57.45 57.38 3k4l n PHE 206 Cb 0.31 -0.47 0.06 0.00 -0.94 0.00 0.00 39.48 38.44 3k4l n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4l n GLN 207 N -1.70 -5.82 -2.25 -1.08 1.13 0.17 -4.20 117.38 103.63 3k4l n GLN 207 Ca 0.05 0.74 -0.41 0.00 -1.94 0.00 0.00 57.00 55.45 3k4l n GLN 207 Cb 0.37 -5.54 -0.03 0.00 0.11 0.00 0.00 30.24 25.15 3k4l n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4l s THR 208 N -3.51 3.11 0.20 5.09 2.01 -0.19 -2.55 115.64 119.79 3k4l s THR 208 Ca 0.01 1.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.96 3k4l s THR 208 Cb -0.01 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 3k4l s THR 208 CO 0.77 0.21 0.30 -0.83 -0.69 0.00 0.00 174.62 174.38 3k4l s GLY 209 N -0.26 0.75 -0.04 4.40 0.00 -0.08 -4.88 107.32 107.20 3k4l s GLY 209 Ca 0.51 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 44.19 3k4l s GLY 209 CO 0.44 -0.93 0.99 -1.30 0.00 0.00 0.00 173.10 172.30 3k4l n THR 210 N -0.27 0.75 -0.21 0.90 -2.24 -1.26 -1.08 114.28 110.87 3k4l n THR 210 Ca -0.03 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3k4l n THR 210 Cb 0.63 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3k4l n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4l n ASP 211 N -0.55 0.73 0.13 3.42 5.75 -1.26 -4.63 116.55 120.15 3k4l n ASP 211 Ca 0.06 -0.96 0.12 0.00 -0.01 0.00 0.00 54.79 53.99 3k4l n ASP 211 Cb 0.61 0.05 0.50 0.00 -1.03 0.00 0.00 41.12 41.25 3k4l n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4l n GLN 212 N -0.05 0.20 -0.26 0.11 3.00 -1.26 -2.33 117.38 116.79 3k4l n GLN 212 Ca 0.00 0.43 0.07 0.00 -0.01 0.00 0.00 57.00 57.49 3k4l n GLN 212 Cb 0.05 -1.88 0.18 0.00 0.00 0.00 0.00 30.24 28.59 3k4l n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4l n PHE 213 N -2.26 0.57 0.30 1.08 3.01 -1.26 -4.74 117.46 114.16 3k4l n PHE 213 Ca 0.02 -0.70 0.18 0.00 1.01 0.00 0.00 57.45 57.96 3k4l n PHE 213 Cb 0.23 -0.16 0.91 0.00 -0.01 0.00 0.00 39.48 40.45 3k4l n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4l h LYS 214 N 1.53 0.00 -0.53 -1.08 2.10 -1.82 -2.07 116.57 114.71 3k4l h LYS 214 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k4l h LYS 214 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 3k4l h LYS 214 CO 0.09 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.93 3k4l n GLU 215 N -2.87 2.58 -2.72 0.07 -0.58 -1.26 -4.92 120.64 110.93 3k4l n GLU 215 Ca -0.01 -2.41 -0.42 0.00 -0.42 0.00 0.00 57.16 53.89 3k4l n GLU 215 Cb 0.14 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 3k4l n GLU 215 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3k4l s SER 216 N -1.29 7.27 0.11 1.62 0.15 -0.78 -4.88 113.70 115.90 3k4l s SER 216 Ca 0.43 1.55 -0.16 0.00 0.70 0.00 0.00 55.95 58.47 3k4l s SER 216 Cb 0.24 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 3k4l s SER 216 CO 0.32 -0.36 1.59 0.40 1.20 0.00 0.00 173.24 176.40 3k4l h ILE 217 N 4.97 1.23 -0.84 6.45 2.04 -1.90 -2.64 117.51 126.83 3k4l h ILE 217 Ca -0.35 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 3k4l h ILE 217 Cb 1.18 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3k4l h ILE 217 CO 0.81 0.28 0.41 0.03 0.00 0.00 0.00 178.15 179.67 3k4l h ARG 218 N 0.41 1.20 0.07 2.37 3.08 -1.94 0.20 114.38 119.78 3k4l h ARG 218 Ca 0.11 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3k4l h ARG 218 Cb 0.35 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3k4l h ARG 218 CO 0.01 0.92 -0.03 1.25 -1.07 0.00 0.00 179.97 181.05 3k4l h HIS 219 N 1.19 -0.09 -0.49 3.04 2.76 -1.78 -2.33 115.15 117.46 3k4l h HIS 219 Ca 0.29 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.33 3k4l h HIS 219 Cb 0.11 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3k4l h HIS 219 CO 0.01 0.05 -0.19 -0.91 -1.30 0.00 0.00 177.93 175.60 3k4l h ASN 220 N -0.21 0.99 -0.48 3.26 2.35 -1.31 0.13 115.58 120.30 3k4l h ASN 220 Ca -0.01 -0.36 0.09 0.00 -0.55 0.00 0.00 56.30 55.47 3k4l h ASN 220 Cb 0.18 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.21 3k4l h ASN 220 CO 0.02 1.15 0.06 0.25 -1.65 0.00 0.00 177.43 177.25 3k4l h LEU 221 N 0.85 -0.07 -0.03 1.61 5.85 -0.47 0.67 115.31 123.72 3k4l h LEU 221 Ca 0.12 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3k4l h LEU 221 Cb 0.75 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3k4l h LEU 221 CO 0.06 -0.01 -0.07 0.58 -0.34 0.00 0.00 178.44 178.66 3k4l h VAL 222 N 0.19 1.44 -0.42 1.05 2.07 -1.31 -2.71 116.25 116.56 3k4l h VAL 222 Ca 0.24 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.40 3k4l h VAL 222 Cb 0.34 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3k4l h VAL 222 CO -0.35 0.38 0.16 0.25 0.02 0.00 0.00 177.57 178.04 3k4l h LEU 223 N -0.42 0.19 -0.63 2.57 5.85 -0.86 -1.91 115.31 120.10 3k4l h LEU 223 Ca 0.00 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3k4l h LEU 223 Cb 0.66 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3k4l h LEU 223 CO 0.02 0.15 -0.09 0.78 -0.34 0.00 0.00 178.44 178.95 3k4l h ASN 224 N 0.34 0.98 -0.39 1.25 2.35 -0.93 -1.43 115.58 117.75 3k4l h ASN 224 Ca 0.19 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 3k4l h ASN 224 Cb 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3k4l h ASN 224 CO -0.18 1.09 0.07 0.50 -1.65 0.00 0.00 177.43 177.26 3k4l h LYS 225 N 0.88 0.64 -0.61 0.81 1.63 -1.21 -1.12 116.57 117.60 3k4l h LYS 225 Ca 0.14 -0.17 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 3k4l h LYS 225 Cb 0.64 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 3k4l h LYS 225 CO 0.04 0.69 0.07 -0.07 -3.45 0.00 0.00 179.45 176.74 3k4l h LEU 226 N 0.49 0.96 -0.73 5.20 3.38 -1.30 0.60 115.31 123.92 3k4l h LEU 226 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3k4l h LEU 226 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3k4l h LEU 226 CO 0.01 0.98 0.40 0.74 0.09 0.00 0.00 178.44 180.66 3k4l h THR 227 N 0.94 1.22 -0.21 0.22 2.02 -1.04 -1.74 112.91 114.32 3k4l h THR 227 Ca 0.18 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 3k4l h THR 227 Cb 0.44 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3k4l h THR 227 CO 0.01 0.24 -0.01 -0.08 0.37 0.00 0.00 175.52 176.06 3k4l h GLU 228 N 1.00 0.38 -0.16 6.66 4.81 -0.88 -2.66 114.58 123.72 3k4l h GLU 228 Ca 0.26 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3k4l h GLU 228 Cb 0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3k4l h GLU 228 CO -0.04 0.58 -0.06 0.93 -0.73 0.00 0.00 179.01 179.68 3k4l h GLU 229 N 0.13 0.24 -0.44 1.92 4.39 -0.46 -2.58 114.58 117.78 3k4l h GLU 229 Ca 0.06 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3k4l h GLU 229 Cb 0.41 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 3k4l h GLU 229 CO 0.01 0.32 0.06 0.66 -1.16 0.00 0.00 179.01 178.90 3k4l n TYR 230 N -4.34 1.51 -0.85 4.33 4.02 -0.69 -5.01 117.16 116.13 3k4l n TYR 230 Ca -0.01 -1.04 -0.38 0.00 -0.01 0.00 0.00 57.90 56.47 3k4l n TYR 230 Cb 0.22 -0.46 -0.08 0.00 -0.02 0.00 0.00 39.34 38.99 3k4l n TYR 230 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3k4l n LYS 231 N -0.35 0.00 -0.99 -0.72 2.85 -0.98 0.14 118.16 118.12 3k4l n LYS 231 Ca 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.55 3k4l n LYS 231 Cb 1.08 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 3k4l n LYS 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3k4l n GLY 232 N 4.86 0.52 0.02 2.58 0.00 -1.26 -4.83 105.19 107.08 3k4l n GLY 232 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 3k4l n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4l n GLN 233 N -2.42 0.80 -3.80 1.61 6.02 0.36 -5.07 117.38 114.88 3k4l n GLN 233 Ca 0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 3k4l n GLN 233 Cb 0.05 -1.09 -0.09 0.00 1.02 0.00 0.00 30.24 30.13 3k4l n GLN 233 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4l s ARG 234 N -2.08 0.60 -0.08 -1.09 0.52 -0.88 -5.13 118.95 110.81 3k4l s ARG 234 Ca -0.05 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 3k4l s ARG 234 Cb 0.01 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 3k4l s ARG 234 CO 0.11 -0.16 -0.03 -0.51 0.02 0.00 0.00 175.30 174.73 3k4l s ASP 235 N -1.29 4.95 0.09 0.23 1.01 -1.26 -4.70 116.67 115.68 3k4l s ASP 235 Ca -0.13 0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.27 3k4l s ASP 235 Cb -0.06 -1.37 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 3k4l s ASP 235 CO 0.03 0.35 -0.22 -0.36 0.21 0.00 0.00 175.17 175.18 3k4l s PHE 236 N -0.73 2.43 0.29 4.23 0.40 -1.26 -4.30 117.98 119.04 3k4l s PHE 236 Ca 0.11 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 3k4l s PHE 236 Cb -0.11 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.07 3k4l s PHE 236 CO 0.02 0.29 0.54 1.14 0.70 0.00 0.00 175.22 177.91 3k4l s GLN 237 N -1.76 1.75 0.43 0.44 -2.07 -0.38 -5.00 119.66 113.08 3k4l s GLN 237 Ca 0.15 -1.37 -0.25 0.00 -1.82 0.00 0.00 55.36 52.07 3k4l s GLN 237 Cb -0.10 0.50 -0.08 0.00 -1.09 0.00 0.00 33.01 32.24 3k4l s GLN 237 CO 0.06 -0.75 1.28 -1.14 -1.32 0.00 0.00 175.29 173.42 3k4l s GLN 238 N -3.55 3.84 0.19 9.60 0.74 -1.26 -0.72 119.66 128.50 3k4l s GLN 238 Ca 0.22 2.08 -0.33 0.00 0.05 0.00 0.00 55.36 57.39 3k4l s GLN 238 Cb -0.02 -2.63 -0.13 0.00 1.10 0.00 0.00 33.01 31.33 3k4l s GLN 238 CO 0.12 -0.58 1.68 -0.89 -0.55 0.00 0.00 175.29 175.07 3k4l n ILE 239 N -0.12 0.02 -2.21 -2.34 5.41 0.16 -4.71 119.36 115.57 3k4l n ILE 239 Ca 0.05 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.38 3k4l n ILE 239 Cb 0.45 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.51 3k4l n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4l s PRO 240 N 1.17 4.29 -0.03 0.38 0.02 -1.26 -4.77 135.00 134.80 3k4l s PRO 240 Ca 0.77 1.99 0.05 0.00 0.02 0.00 0.00 61.00 63.83 3k4l s PRO 240 Cb -0.56 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.43 3k4l s PRO 240 CO 0.34 -0.55 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.76 3k4l s LEU 241 N 2.19 1.99 -0.89 -5.54 1.43 -0.24 -0.81 118.68 116.81 3k4l s LEU 241 Ca 0.64 -0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 3k4l s LEU 241 Cb -0.32 -1.01 0.09 0.00 0.03 0.00 0.00 46.19 44.98 3k4l s LEU 241 CO 0.27 0.20 1.18 0.00 0.23 0.00 0.00 176.35 178.24 3k4l s ALA 242 N -0.23 3.12 -0.18 4.21 0.00 0.10 -0.91 121.76 127.88 3k4l s ALA 242 Ca 0.02 -2.37 -0.30 0.00 0.00 0.00 0.00 51.96 49.31 3k4l s ALA 242 Cb -0.10 -4.14 0.14 0.00 0.00 0.00 0.00 23.12 19.02 3k4l s ALA 242 CO 0.01 -3.12 1.05 0.00 0.00 0.00 0.00 175.76 173.70 3k4l s ALA 243 N 3.71 -1.96 -0.10 0.00 0.00 -1.06 -0.89 121.76 121.46 3k4l s ALA 243 Ca 0.34 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.93 3k4l s ALA 243 Cb -0.06 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.27 3k4l s ALA 243 CO -0.04 -0.31 -0.11 0.99 0.00 0.00 0.00 175.76 176.29 3k4l s THR 244 N -1.15 1.20 0.17 0.00 2.01 0.01 -4.60 115.64 113.27 3k4l s THR 244 Ca 0.00 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 3k4l s THR 244 Cb -0.01 -1.15 -0.07 0.00 0.01 0.00 0.00 72.50 71.28 3k4l s THR 244 CO -0.00 0.39 1.15 -0.60 -0.69 0.00 0.00 174.62 174.87 3k4l s ARG 245 N 1.28 4.53 -0.07 4.92 3.52 -1.26 0.08 118.95 131.95 3k4l s ARG 245 Ca -0.02 1.79 0.13 0.00 -0.13 0.00 0.00 55.73 57.49 3k4l s ARG 245 Cb -0.14 -3.27 -0.19 0.00 -1.56 0.00 0.00 34.95 29.79 3k4l s ARG 245 CO -0.04 -0.03 0.18 0.54 -0.81 0.00 0.00 175.30 175.13 3k4l n ARG 246 N 2.62 1.14 -3.83 5.12 5.12 -0.20 -4.89 116.66 121.75 3k4l n ARG 246 Ca 0.04 -0.07 -0.06 0.00 -1.93 0.00 0.00 57.85 55.83 3k4l n ARG 246 Cb 0.46 -1.33 -0.00 0.00 -1.16 0.00 0.00 32.46 30.43 3k4l n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4l s SER 247 N -4.05 -0.15 0.20 0.55 1.04 -0.90 -4.95 113.70 105.44 3k4l s SER 247 Ca -0.06 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 55.81 3k4l s SER 247 Cb 0.06 0.69 0.78 0.00 0.10 0.00 0.00 66.02 67.65 3k4l s SER 247 CO 0.55 -1.32 1.47 -2.65 0.98 0.00 0.00 173.24 172.27 3k4l n PRO 248 N -0.50 0.10 -0.09 4.02 -0.02 -1.26 -2.56 135.00 134.69 3k4l n PRO 248 Ca -0.05 0.54 0.03 0.00 -2.02 0.00 0.00 63.50 62.00 3k4l n PRO 248 Cb 0.60 -1.79 0.04 0.00 -0.02 0.00 0.00 33.50 32.34 3k4l n PRO 248 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k4l n THR 249 N -1.99 0.98 -3.74 3.45 -2.24 -1.26 -4.79 114.28 104.70 3k4l n THR 249 Ca -0.00 -1.10 -0.14 0.00 -2.27 0.00 0.00 64.05 60.54 3k4l n THR 249 Cb 0.06 0.35 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 3k4l n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4l s PHE 250 N -1.30 -0.17 -0.10 4.78 2.19 -1.06 -4.91 117.98 117.41 3k4l s PHE 250 Ca 0.10 0.52 0.04 0.00 0.33 0.00 0.00 56.93 57.92 3k4l s PHE 250 Cb 0.09 -0.10 -0.00 0.00 -1.31 0.00 0.00 43.02 41.70 3k4l s PHE 250 CO 0.01 -0.18 -0.24 0.08 1.83 0.00 0.00 175.22 176.72 3k4l s VAL 251 N 1.33 2.05 -0.73 3.12 1.01 -1.26 -1.04 120.40 124.88 3k4l s VAL 251 Ca -0.08 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 3k4l s VAL 251 Cb -0.12 -1.77 0.10 0.00 0.00 0.00 0.00 36.38 34.60 3k4l s VAL 251 CO -0.06 0.56 0.94 -0.70 0.00 0.00 0.00 175.10 175.83 3k4l s GLU 252 N 0.32 3.26 0.26 2.72 2.12 0.11 -4.84 118.70 122.66 3k4l s GLU 252 Ca -0.18 -1.32 -0.29 0.00 0.36 0.00 0.00 54.97 53.53 3k4l s GLU 252 Cb -0.18 -4.46 -0.09 0.00 0.26 0.00 0.00 34.13 29.66 3k4l s GLU 252 CO 0.09 -1.71 1.28 -1.58 -0.54 0.00 0.00 175.26 172.80 3k4l s TRP 253 N 3.10 3.22 0.86 5.30 0.52 -1.26 -0.81 118.94 129.87 3k4l s TRP 253 Ca 0.22 1.36 -0.12 0.00 0.02 0.00 0.00 56.10 57.58 3k4l s TRP 253 Cb -0.15 -3.59 0.11 0.00 -1.15 0.00 0.00 33.47 28.69 3k4l s TRP 253 CO 0.02 -1.69 1.15 -1.12 0.02 0.00 0.00 176.95 175.33 3k4l s SER 254 N -0.15 3.97 0.18 2.95 0.01 -0.07 -4.57 113.70 116.02 3k4l s SER 254 Ca 0.52 0.91 -0.22 0.00 1.31 0.00 0.00 55.95 58.47 3k4l s SER 254 Cb -0.37 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.47 3k4l s SER 254 CO 0.44 -2.25 1.05 -0.94 0.41 0.00 0.00 173.24 171.95 3k4l s SER 255 N -4.24 0.02 0.31 2.44 1.04 -1.26 -4.69 113.70 107.32 3k4l s SER 255 Ca 0.63 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 56.43 3k4l s SER 255 Cb -0.13 0.49 0.85 0.00 0.10 0.00 0.00 66.02 67.33 3k4l s SER 255 CO 0.52 -0.99 1.60 0.00 0.98 0.00 0.00 173.24 175.35 3k4l h ALA 256 N 2.00 1.40 -0.21 5.32 0.00 -1.78 -0.64 119.26 125.35 3k4l h ALA 256 Ca -0.27 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k4l h ALA 256 Cb 1.22 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3k4l h ALA 256 CO 0.37 -0.61 0.04 -0.97 0.00 0.00 0.00 179.25 178.08 3k4l h ASN 257 N 0.08 0.27 -0.77 0.00 -0.73 -1.61 0.07 115.58 112.89 3k4l h ASN 257 Ca 0.63 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.76 3k4l h ASN 257 Cb 1.38 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 39.87 3k4l h ASN 257 CO -0.79 0.29 0.44 0.74 -0.37 0.00 0.00 177.43 177.74 3k4l h THR 258 N 0.30 1.23 -0.13 -3.57 2.02 -1.42 -3.13 112.91 108.19 3k4l h THR 258 Ca 0.07 -0.53 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 3k4l h THR 258 Cb 0.14 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3k4l h THR 258 CO -0.00 0.24 -0.40 0.58 0.37 0.00 0.00 175.52 176.31 3k4l h VAL 259 N 1.06 1.36 -2.44 3.16 2.07 -0.93 -3.46 116.25 117.08 3k4l h VAL 259 Ca 0.27 -1.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 3k4l h VAL 259 Cb -0.00 2.09 -0.24 0.00 -1.52 0.00 0.00 31.29 31.62 3k4l h VAL 259 CO -0.05 0.51 -0.15 0.12 0.02 0.00 0.00 177.57 178.02 3k4l s PHE 260 N -3.84 -0.69 -1.42 1.57 5.36 -0.38 -4.75 117.98 113.82 3k4l s PHE 260 Ca -0.13 1.52 0.30 0.00 -0.96 0.00 0.00 56.93 57.65 3k4l s PHE 260 Cb 0.06 0.32 1.42 0.00 -0.34 0.00 0.00 43.02 44.48 3k4l s PHE 260 CO 0.81 -0.36 1.99 -0.40 -1.46 0.00 0.00 175.22 175.81 3k4l n ASP 261 N 3.68 0.10 -0.05 6.13 3.85 -1.22 -3.92 116.55 125.12 3k4l n ASP 261 Ca -0.19 -0.17 -0.01 0.00 -0.71 0.00 0.00 54.79 53.71 3k4l n ASP 261 Cb 0.56 -0.25 -0.00 0.00 -1.35 0.00 0.00 41.12 40.08 3k4l n ASP 261 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3k4l n LEU 262 N -1.25 0.41 -4.75 -2.12 4.77 -1.26 -4.28 117.00 108.52 3k4l n LEU 262 Ca 0.13 0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 3k4l n LEU 262 Cb 0.26 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.79 3k4l n LEU 262 CO 0.24 -0.50 0.69 -1.10 -1.33 0.00 0.00 177.39 175.39 3k4l s GLN 263 N -1.12 4.80 0.50 3.23 -1.52 -1.26 -4.75 119.66 119.53 3k4l s GLN 263 Ca 0.00 1.58 -0.23 0.00 -1.95 0.00 0.00 55.36 54.76 3k4l s GLN 263 Cb 0.00 -3.26 -0.06 0.00 -0.22 0.00 0.00 33.01 29.47 3k4l s GLN 263 CO 0.00 0.43 1.29 -0.80 -0.25 0.00 0.00 175.29 175.96 3k4l s ASN 264 N -1.07 5.71 0.09 5.90 0.01 -1.26 -4.88 114.94 119.43 3k4l s ASN 264 Ca 0.42 2.61 0.05 0.00 -0.71 0.00 0.00 52.86 55.23 3k4l s ASN 264 Cb -0.28 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.73 3k4l s ASN 264 CO 0.34 -1.26 -0.13 -0.13 -1.51 0.00 0.00 177.10 174.42 3k4l s ARG 265 N -2.75 0.86 0.57 -0.60 0.52 0.66 -4.43 118.95 113.78 3k4l s ARG 265 Ca 0.67 -1.07 -0.20 0.00 -0.52 0.00 0.00 55.73 54.61 3k4l s ARG 265 Cb -0.36 -0.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 3k4l s ARG 265 CO 0.44 0.14 1.24 -2.14 0.02 0.00 0.00 175.30 175.00 3k4l s PRO 266 N -2.25 3.10 0.28 3.54 0.01 -0.44 -1.61 135.00 137.63 3k4l s PRO 266 Ca 0.02 1.91 -0.09 0.00 0.01 0.00 0.00 61.00 62.86 3k4l s PRO 266 Cb -0.07 -2.06 -0.00 0.00 0.01 0.00 0.00 34.50 32.38 3k4l s PRO 266 CO 0.02 -1.13 0.46 0.54 0.01 0.00 0.00 177.00 176.90 3k4l s ASN 267 N -1.42 0.25 0.31 2.53 2.20 -1.07 -4.98 114.94 112.76 3k4l s ASN 267 Ca 0.75 -1.16 0.06 0.00 -0.94 0.00 0.00 52.86 51.57 3k4l s ASN 267 Cb -0.32 0.61 0.73 0.00 -2.00 0.00 0.00 41.25 40.26 3k4l s ASN 267 CO 0.36 -1.19 1.80 0.74 -2.94 0.00 0.00 177.10 175.87 3k4l h THR 268 N 2.23 0.76 0.00 0.54 2.02 -1.97 -0.67 112.91 115.83 3k4l h THR 268 Ca -0.28 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3k4l h THR 268 Cb 1.25 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3k4l h THR 268 CO 0.38 0.14 -0.50 0.44 0.37 0.00 0.00 175.52 176.36 3k4l h ASP 269 N 0.79 0.00 -2.02 4.18 3.32 -2.00 -3.38 116.42 117.32 3k4l h ASP 269 Ca 0.55 -0.07 -0.55 0.00 0.02 0.00 0.00 57.03 56.98 3k4l h ASP 269 Cb 0.81 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.97 3k4l h ASP 269 CO -0.33 0.04 -1.09 0.00 -1.72 0.00 0.00 179.24 176.14 3k4l n ALA 270 N -1.98 2.49 0.30 3.45 0.00 -0.35 -4.97 120.51 119.44 3k4l n ALA 270 Ca 0.03 -3.51 0.15 0.00 0.00 0.00 0.00 53.44 50.11 3k4l n ALA 270 Cb 0.49 -0.84 0.69 0.00 0.00 0.00 0.00 19.45 19.79 3k4l n ALA 270 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3k4l h PRO 271 N 3.80 0.00 -0.20 0.00 0.13 -1.49 -2.74 132.00 131.50 3k4l h PRO 271 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3k4l h PRO 271 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3k4l h PRO 271 CO 0.50 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.36 3k4l n GLU 272 N -2.60 1.84 -3.82 0.86 4.07 -1.26 -4.70 120.64 115.03 3k4l n GLU 272 Ca -0.00 -1.78 -0.25 0.00 -0.06 0.00 0.00 57.16 55.07 3k4l n GLU 272 Cb 0.17 -1.34 -0.03 0.00 -0.06 0.00 0.00 31.44 30.19 3k4l n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3k4l s GLU 273 N -1.22 3.47 -0.15 5.31 2.02 -1.06 -4.95 118.70 122.12 3k4l s GLU 273 Ca 0.24 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 3k4l s GLU 273 Cb 0.15 -2.88 0.05 0.00 0.10 0.00 0.00 34.13 31.55 3k4l s GLU 273 CO 0.21 0.43 -0.00 1.03 0.02 0.00 0.00 175.26 176.95 3k4l s ARG 274 N -3.55 0.91 -0.17 1.61 0.52 -1.26 -1.32 118.95 115.68 3k4l s ARG 274 Ca 0.36 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 55.15 3k4l s ARG 274 Cb -0.10 -1.80 0.06 0.00 0.52 0.00 0.00 34.95 33.62 3k4l s ARG 274 CO 0.30 -0.49 0.42 0.12 0.02 0.00 0.00 175.30 175.67 3k4l s PHE 275 N 1.81 -0.63 -0.05 -0.53 5.36 -0.63 -1.47 117.98 121.84 3k4l s PHE 275 Ca 0.01 1.33 0.03 0.00 -0.96 0.00 0.00 56.93 57.34 3k4l s PHE 275 Cb -0.15 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 3k4l s PHE 275 CO -0.07 -0.35 -0.15 -0.80 -1.46 0.00 0.00 175.22 172.39 3k4l s ASN 276 N 1.42 1.99 -0.14 6.13 -0.87 -0.61 -0.25 114.94 122.61 3k4l s ASN 276 Ca -0.10 -0.33 -0.06 0.00 -1.57 0.00 0.00 52.86 50.80 3k4l s ASN 276 Cb -0.08 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.25 40.38 3k4l s ASN 276 CO -0.13 0.10 0.07 -0.22 -2.57 0.00 0.00 177.10 174.35 3k4l s LEU 277 N 0.32 3.91 -0.38 0.60 2.96 -1.26 -0.35 118.68 124.49 3k4l s LEU 277 Ca -0.09 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3k4l s LEU 277 Cb -0.13 -1.95 0.11 0.00 0.50 0.00 0.00 46.19 44.72 3k4l s LEU 277 CO 0.03 0.30 0.14 -0.36 -1.32 0.00 0.00 176.35 175.14 3k4l s PHE 278 N -0.38 2.50 0.72 5.38 0.08 -0.08 -4.98 117.98 121.23 3k4l s PHE 278 Ca 0.09 -2.43 -0.11 0.00 0.12 0.00 0.00 56.93 54.60 3k4l s PHE 278 Cb -0.12 -2.21 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 3k4l s PHE 278 CO 0.02 -0.86 1.10 -2.14 -0.10 0.00 0.00 175.22 173.24 3k4l s PRO 279 N 0.87 2.73 -1.40 0.24 0.02 -1.26 -1.88 135.00 134.31 3k4l s PRO 279 Ca 0.13 0.50 -0.10 0.00 0.02 0.00 0.00 61.00 61.55 3k4l s PRO 279 Cb -0.21 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.34 3k4l s PRO 279 CO -0.11 -1.13 1.10 0.00 -0.33 0.00 0.00 177.00 176.53 3k4l n ALA 280 N -3.08 -1.36 -3.97 -1.55 0.00 -0.35 -4.87 120.51 105.33 3k4l n ALA 280 Ca 0.07 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 3k4l n ALA 280 Cb 0.57 -4.96 -0.15 0.00 0.00 0.00 0.00 19.45 14.91 3k4l n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4l s VAL 281 N -3.33 1.70 -0.33 0.00 1.01 -0.45 -1.24 120.40 117.75 3k4l s VAL 281 Ca 0.56 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 3k4l s VAL 281 Cb -0.26 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3k4l s VAL 281 CO 0.76 -0.11 1.12 0.00 0.00 0.00 0.00 175.10 176.87 3k4l s ALA 282 N 1.31 3.45 -0.08 5.51 0.00 -0.30 -2.61 121.76 129.04 3k4l s ALA 282 Ca -0.06 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.58 3k4l s ALA 282 Cb -0.19 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 3k4l s ALA 282 CO -0.06 -1.60 0.83 0.00 0.00 0.00 0.00 175.76 174.93 3k4l n GLU 284 N 4.26 2.91 -3.67 0.00 1.02 -0.44 -4.97 120.64 119.75 3k4l n GLU 284 Ca 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3k4l n GLU 284 Cb 0.50 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 3k4l n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3k4l s ARG 285 N -2.11 0.66 -0.14 3.49 3.52 -1.20 -4.62 118.95 118.54 3k4l s ARG 285 Ca -0.03 0.87 -0.14 0.00 -0.13 0.00 0.00 55.73 56.30 3k4l s ARG 285 Cb 0.01 0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 3k4l s ARG 285 CO 0.17 -0.10 0.32 0.14 -0.81 0.00 0.00 175.30 175.02 3k4l s VAL 286 N 0.60 5.28 -0.25 7.11 -7.23 -1.26 -0.60 120.40 124.06 3k4l s VAL 286 Ca -0.02 0.60 -0.22 0.00 -1.81 0.00 0.00 61.98 60.53 3k4l s VAL 286 Cb -0.05 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 3k4l s VAL 286 CO -0.03 0.40 0.73 -0.69 -0.31 0.00 0.00 175.10 175.20 3k4l s VAL 287 N 0.33 4.91 0.07 1.32 1.01 0.24 -4.78 120.40 123.51 3k4l s VAL 287 Ca 0.18 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.34 3k4l s VAL 287 Cb -0.13 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3k4l s VAL 287 CO 0.05 -0.03 0.51 -0.13 0.00 0.00 0.00 175.10 175.51 3k4l s ARG 288 N 2.68 4.05 1.13 2.72 0.52 -1.26 0.50 118.95 129.29 3k4l s ARG 288 Ca 0.30 0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 55.95 3k4l s ARG 288 Cb -0.15 -3.14 0.26 0.00 0.52 0.00 0.00 34.95 32.44 3k4l s ARG 288 CO 0.08 0.61 0.99 0.27 0.02 0.00 0.00 175.30 177.27 3k4l n ASN 289 N 1.45 -1.41 0.20 0.23 0.23 -0.73 -4.84 115.26 110.39 3k4l n ASN 289 Ca -0.10 -0.06 0.05 0.00 -0.53 0.00 0.00 54.58 53.95 3k4l n ASN 289 Cb 0.51 -1.29 0.41 0.00 -2.08 0.00 0.00 39.78 37.34 3k4l n ASN 289 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k4l h ALA 290 N -2.53 1.20 0.00 -2.53 0.00 -1.98 -2.80 119.26 110.61 3k4l h ALA 290 Ca -0.58 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 3k4l h ALA 290 Cb 1.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3k4l h ALA 290 CO 0.47 0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 180.06 3k4l h LEU 291 N 0.00 0.00 -1.59 0.00 3.38 -1.95 -3.47 115.31 111.68 3k4l h LEU 291 Ca -0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.56 3k4l h LEU 291 Cb 0.70 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.53 3k4l h LEU 291 CO 0.04 0.01 -0.80 0.59 0.09 0.00 0.00 178.44 178.37 3k4l n ASN 292 N -3.11 -2.16 0.00 -0.43 3.02 -1.06 -4.89 115.26 106.62 3k4l n ASN 292 Ca -0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3k4l n ASN 292 Cb 0.22 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 3k4l n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4l n SER 293 N -3.04 0.18 -3.62 6.41 3.41 -1.26 -4.45 113.62 111.26 3k4l n SER 293 Ca -0.23 -0.33 -0.15 0.00 -0.26 0.00 0.00 58.87 57.90 3k4l n SER 293 Cb 0.65 0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 65.23 3k4l n SER 293 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k4l s GLU 294 N -0.73 0.93 -0.05 4.33 2.02 -1.26 -0.95 118.70 123.00 3k4l s GLU 294 Ca 0.00 -0.07 -0.14 0.00 0.02 0.00 0.00 54.97 54.78 3k4l s GLU 294 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 34.13 34.61 3k4l s GLU 294 CO 0.00 -0.30 0.37 0.42 0.02 0.00 0.00 175.26 175.77 3k4l s ILE 295 N -1.74 5.14 -0.14 -1.63 -1.09 -1.26 -1.77 121.20 118.71 3k4l s ILE 295 Ca -0.09 0.75 0.18 0.00 -2.23 0.00 0.00 60.65 59.26 3k4l s ILE 295 Cb -0.02 -3.68 -0.27 0.00 -1.58 0.00 0.00 42.46 36.92 3k4l s ILE 295 CO 0.04 0.53 0.19 -0.62 -1.23 0.00 0.00 174.94 173.85 3k4l n GLU 296 N 2.30 0.77 -3.61 2.79 -0.58 0.18 -4.93 120.64 117.56 3k4l n GLU 296 Ca -0.13 -0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.50 3k4l n GLU 296 Cb 0.52 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.88 3k4l n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4l s SER 297 N -5.08 -0.20 -0.17 1.62 1.04 -1.25 -4.68 113.70 104.98 3k4l s SER 297 Ca -0.09 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 3k4l s SER 297 Cb 0.08 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3k4l s SER 297 CO 0.82 -0.53 -0.12 -0.22 0.98 0.00 0.00 173.24 174.17 3k4l s LEU 298 N -2.62 2.58 -0.14 2.42 2.96 0.11 -0.59 118.68 123.39 3k4l s LEU 298 Ca 0.10 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.36 3k4l s LEU 298 Cb 0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3k4l s LEU 298 CO -0.04 0.05 0.53 -1.00 -1.32 0.00 0.00 176.35 174.57 3k4l s HIS 299 N 1.01 3.47 0.16 5.38 3.76 0.24 -0.06 115.29 129.24 3k4l s HIS 299 Ca -0.01 0.90 0.08 0.00 -0.15 0.00 0.00 55.06 55.88 3k4l s HIS 299 Cb -0.15 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 3k4l s HIS 299 CO -0.02 0.05 -0.18 0.96 -0.85 0.00 0.00 174.74 174.70 3k4l s ILE 300 N 1.04 1.78 -0.20 0.60 -4.36 -0.15 -1.32 121.20 118.60 3k4l s ILE 300 Ca 0.27 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 3k4l s ILE 300 Cb -0.16 -1.80 0.03 0.00 1.25 0.00 0.00 42.46 41.79 3k4l s ILE 300 CO 0.11 -0.30 -0.15 -2.28 0.24 0.00 0.00 174.94 172.56 3k4l s HIS 301 N -1.97 2.69 -0.33 1.37 5.65 0.23 -1.77 115.29 121.16 3k4l s HIS 301 Ca 0.14 -1.70 -0.29 0.00 0.25 0.00 0.00 55.06 53.46 3k4l s HIS 301 Cb -0.06 -1.80 0.01 0.00 -1.18 0.00 0.00 32.58 29.55 3k4l s HIS 301 CO 0.06 -0.78 1.14 0.34 -0.65 0.00 0.00 174.74 174.85 3k4l s ASP 302 N 1.31 6.84 0.46 9.88 -1.08 0.75 -1.15 116.67 133.68 3k4l s ASP 302 Ca 0.01 1.03 0.25 0.00 -0.52 0.00 0.00 52.55 53.32 3k4l s ASP 302 Cb -0.15 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.36 3k4l s ASP 302 CO -0.10 -0.97 1.70 -0.07 0.52 0.00 0.00 175.17 176.25 3k4l h LEU 303 N 10.40 0.00 0.00 -1.34 3.38 -1.48 0.36 115.31 126.63 3k4l h LEU 303 Ca -0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3k4l h LEU 303 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k4l h LEU 303 CO 1.04 0.03 -0.12 0.40 0.09 0.00 0.00 178.44 179.89 3k4l h ILE 304 N 0.00 1.10 0.00 1.22 1.08 -1.91 -3.37 117.51 115.64 3k4l h ILE 304 Ca -0.00 -1.87 -0.09 0.00 -0.39 0.00 0.00 64.86 62.51 3k4l h ILE 304 Cb 0.90 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 36.75 3k4l h ILE 304 CO 0.00 0.37 -0.43 0.77 -0.69 0.00 0.00 178.15 178.17 3k4l h SER 305 N -1.00 0.00 0.00 1.72 4.64 -1.94 -3.48 113.55 113.49 3k4l h SER 305 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3k4l h SER 305 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3k4l h SER 305 CO -0.02 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3k4l n GLY 306 N 1.18 1.74 3.90 -0.77 0.00 0.13 -5.05 105.19 106.32 3k4l n GLY 306 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3k4l n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4l s ASP 307 N -3.23 6.33 0.16 1.61 1.01 -1.18 -4.72 116.67 116.65 3k4l s ASP 307 Ca 0.00 0.94 0.07 0.00 0.71 0.00 0.00 52.55 54.27 3k4l s ASP 307 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3k4l s ASP 307 CO 0.00 -0.50 -0.01 -0.13 0.21 0.00 0.00 175.17 174.74 3k4l s ARG 308 N -4.46 2.41 0.16 8.23 0.52 -1.26 -0.18 118.95 124.38 3k4l s ARG 308 Ca 0.48 -1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 54.56 3k4l s ARG 308 Cb -0.10 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 3k4l s ARG 308 CO 0.41 0.47 0.22 -0.06 0.02 0.00 0.00 175.30 176.35 3k4l s PHE 309 N -1.65 0.60 -0.12 -0.53 0.08 -0.73 -4.99 117.98 110.64 3k4l s PHE 309 Ca 0.27 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.38 3k4l s PHE 309 Cb -0.10 -0.21 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3k4l s PHE 309 CO 0.18 -0.67 -0.15 -2.00 -0.10 0.00 0.00 175.22 172.48 3k4l s GLU 310 N -4.01 2.29 -0.09 0.44 2.12 -1.26 -0.97 118.70 117.21 3k4l s GLU 310 Ca 0.21 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.99 3k4l s GLU 310 Cb 0.05 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.44 3k4l s GLU 310 CO 0.02 -0.10 -0.17 0.42 -0.54 0.00 0.00 175.26 174.89 3k4l s ILE 311 N 1.09 2.72 -0.11 -3.70 -1.09 0.91 -4.93 121.20 116.09 3k4l s ILE 311 Ca -0.04 -0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 57.53 3k4l s ILE 311 Cb -0.14 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 3k4l s ILE 311 CO -0.04 0.55 0.07 -0.75 -1.23 0.00 0.00 174.94 173.55 3k4l s LYS 312 N 0.02 3.27 0.17 2.79 2.47 -1.26 0.06 119.74 127.27 3k4l s LYS 312 Ca -0.06 -0.27 -0.08 0.00 -1.56 0.00 0.00 55.97 54.00 3k4l s LYS 312 Cb -0.15 -3.02 -0.01 0.00 -1.46 0.00 0.00 37.83 33.19 3k4l s LYS 312 CO 0.05 0.71 0.27 0.00 0.16 0.00 0.00 175.35 176.53 3k4l s ALA 313 N -0.87 0.16 0.15 3.13 0.00 -1.26 -1.48 121.76 121.60 3k4l s ALA 313 Ca 0.13 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3k4l s ALA 313 Cb -0.12 0.92 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 3k4l s ALA 313 CO 0.03 -0.65 1.33 -0.44 0.00 0.00 0.00 175.76 176.04 3k4l h ASP 314 N 2.55 0.27 -3.59 0.00 3.32 -1.17 -3.46 116.42 114.34 3k4l h ASP 314 Ca -0.32 -0.23 -0.45 0.00 0.02 0.00 0.00 57.03 56.05 3k4l h ASP 314 Cb 1.23 -0.08 -0.33 0.00 0.22 0.00 0.00 39.33 40.37 3k4l h ASP 314 CO 0.48 1.06 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.59 3k4l s VAL 315 N -3.10 0.82 -0.12 -1.35 1.01 -0.32 -4.80 120.40 112.54 3k4l s VAL 315 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3k4l s VAL 315 Cb 0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3k4l s VAL 315 CO 0.84 0.27 -0.18 -0.31 0.00 0.00 0.00 175.10 175.72 3k4l s TYR 316 N 0.54 2.71 -0.12 5.22 1.51 -0.45 -1.08 117.35 125.68 3k4l s TYR 316 Ca -0.09 -0.85 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 3k4l s TYR 316 Cb -0.13 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 3k4l s TYR 316 CO 0.01 -0.32 -0.14 0.08 -1.11 0.00 0.00 175.55 174.08 3k4l s VAL 317 N 0.40 1.45 -0.32 0.71 1.01 0.43 -1.48 120.40 122.59 3k4l s VAL 317 Ca -0.13 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3k4l s VAL 317 Cb -0.17 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3k4l s VAL 317 CO 0.06 0.43 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 3k4l s LEU 318 N 1.25 4.14 -0.38 3.92 1.43 -0.41 -0.72 118.68 127.92 3k4l s LEU 318 Ca -0.01 -0.79 0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3k4l s LEU 318 Cb -0.14 -1.93 0.44 0.00 0.03 0.00 0.00 46.19 44.58 3k4l s LEU 318 CO -0.06 -0.25 1.00 0.35 0.23 0.00 0.00 176.35 177.62 3k4l n THR 319 N 4.91 1.52 -0.08 5.49 -2.24 1.00 -1.21 114.28 123.66 3k4l n THR 319 Ca -0.14 -3.91 0.11 0.00 -2.27 0.00 0.00 64.05 57.84 3k4l n THR 319 Cb 0.47 -0.16 0.29 0.00 -2.10 0.00 0.00 70.33 68.83 3k4l n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4l n ALA 320 N -0.21 2.40 0.00 6.98 0.00 -1.19 -4.18 120.51 124.31 3k4l n ALA 320 Ca 0.22 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3k4l n ALA 320 Cb 0.74 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3k4l n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4l n GLY 321 N 1.55 0.74 0.34 0.00 0.00 -1.26 -4.20 105.19 102.36 3k4l n GLY 321 Ca 0.22 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 3k4l n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4l h ALA 322 N 0.00 1.23 0.10 4.61 0.00 -1.91 0.24 119.26 123.52 3k4l h ALA 322 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k4l h ALA 322 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3k4l h ALA 322 CO 0.00 0.60 -0.05 0.28 0.00 0.00 0.00 179.25 180.08 3k4l h VAL 323 N 1.07 0.74 0.00 0.00 2.07 -1.95 -3.33 116.25 114.86 3k4l h VAL 323 Ca 0.26 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3k4l h VAL 323 Cb 0.09 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3k4l h VAL 323 CO -0.04 0.22 -0.25 0.45 0.02 0.00 0.00 177.57 177.98 3k4l h HIS 324 N -0.96 0.00 -0.74 1.57 -0.00 -1.71 -1.01 115.15 112.31 3k4l h HIS 324 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3k4l h HIS 324 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 3k4l h HIS 324 CO 0.10 0.25 0.49 -0.91 -0.00 0.00 0.00 177.93 177.85 3k4l h ASN 325 N 0.00 0.84 -0.24 2.45 2.35 -0.70 -1.78 115.58 118.50 3k4l h ASN 325 Ca -0.00 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 3k4l h ASN 325 Cb 0.99 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3k4l h ASN 325 CO 0.03 0.60 -0.48 0.74 -1.65 0.00 0.00 177.43 176.67 3k4l h THR 326 N 0.99 1.30 -0.23 2.81 2.02 -1.52 -2.18 112.91 116.10 3k4l h THR 326 Ca 0.28 -1.69 0.05 0.00 0.77 0.00 0.00 66.41 65.82 3k4l h THR 326 Cb -0.09 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 3k4l h THR 326 CO -0.07 0.54 -0.09 -0.61 0.37 0.00 0.00 175.52 175.66 3k4l h GLN 327 N 0.47 -0.05 -0.85 6.66 4.15 -1.11 -1.23 115.11 123.16 3k4l h GLN 327 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3k4l h GLN 327 Cb 1.09 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 3k4l h GLN 327 CO 0.11 -0.03 0.50 1.25 -1.93 0.00 0.00 178.83 178.73 3k4l h LEU 328 N -0.05 1.02 -0.18 -2.39 5.85 -1.19 -0.21 115.31 118.16 3k4l h LEU 328 Ca 0.12 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3k4l h LEU 328 Cb 0.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3k4l h LEU 328 CO -0.26 0.79 0.02 -0.07 -0.34 0.00 0.00 178.44 178.58 3k4l h LEU 329 N 1.16 0.29 -1.22 2.25 3.38 -1.16 -1.28 115.31 118.73 3k4l h LEU 329 Ca 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3k4l h LEU 329 Cb -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3k4l h LEU 329 CO -0.06 0.49 0.11 0.58 0.09 0.00 0.00 178.44 179.66 3k4l h VAL 330 N 0.07 1.19 0.00 1.22 2.07 -1.01 -1.30 116.25 118.49 3k4l h VAL 330 Ca 0.05 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3k4l h VAL 330 Cb 0.34 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3k4l h VAL 330 CO 0.01 0.25 0.00 -1.13 0.02 0.00 0.00 177.57 176.71 3k4l h ASN 331 N 0.64 0.00 -0.66 0.57 -1.24 -0.77 -2.70 115.58 111.42 3k4l h ASN 331 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3k4l h ASN 331 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3k4l h ASN 331 CO -0.00 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 3k4l n SER 332 N -2.61 3.86 0.00 1.15 7.64 -0.50 -4.90 113.62 118.26 3k4l n SER 332 Ca 0.01 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.90 3k4l n SER 332 Cb 0.26 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3k4l n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4l n GLY 333 N 1.62 0.67 3.89 0.23 0.00 -1.02 -4.77 105.19 105.80 3k4l n GLY 333 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3k4l n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4l s PHE 334 N -2.18 3.53 0.00 1.61 0.40 -0.64 -4.78 117.98 115.92 3k4l s PHE 334 Ca 0.00 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 3k4l s PHE 334 Cb 0.00 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 41.10 3k4l s PHE 334 CO 0.00 -0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.07 3k4l n GLY 335 N -1.88 1.71 2.96 4.36 0.00 -0.01 -4.00 105.19 108.33 3k4l n GLY 335 Ca 0.02 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 3k4l n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4l s GLN 336 N 0.00 1.21 0.21 1.61 0.74 -1.26 -4.71 119.66 117.45 3k4l s GLN 336 Ca 0.00 -0.25 -0.23 0.00 0.05 0.00 0.00 55.36 54.93 3k4l s GLN 336 Cb 0.00 -1.08 -0.08 0.00 1.10 0.00 0.00 33.01 32.95 3k4l s GLN 336 CO 0.00 -0.02 0.77 -1.17 -0.55 0.00 0.00 175.29 174.32 3k4l s LEU 337 N 0.75 4.46 0.00 3.68 2.96 -1.26 -4.70 118.68 124.57 3k4l s LEU 337 Ca -0.13 1.58 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 3k4l s LEU 337 Cb -0.15 -3.50 0.00 0.00 0.50 0.00 0.00 46.19 43.05 3k4l s LEU 337 CO 0.02 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 3k4l n GLY 338 N 1.12 0.92 3.67 7.98 0.00 0.11 -4.84 105.19 114.15 3k4l n GLY 338 Ca -0.03 -1.97 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 3k4l n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4l n ARG 339 N 1.34 2.19 -1.72 1.61 0.63 -1.26 -4.53 116.66 114.92 3k4l n ARG 339 Ca 0.00 0.79 -0.41 0.00 -0.92 0.00 0.00 57.85 57.31 3k4l n ARG 339 Cb 0.00 -2.56 0.01 0.00 0.45 0.00 0.00 32.46 30.36 3k4l n ARG 339 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3k4l n PRO 340 N 3.42 2.14 -3.67 -0.14 -0.02 -1.26 -4.98 135.00 130.49 3k4l n PRO 340 Ca 0.17 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.11 3k4l n PRO 340 Cb 0.29 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.17 3k4l n PRO 340 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3k4l s ASN 341 N -0.42 3.74 0.58 2.55 3.84 -1.26 -4.99 114.94 118.98 3k4l s ASN 341 Ca 0.59 -1.93 0.36 0.00 0.21 0.00 0.00 52.86 52.08 3k4l s ASN 341 Cb -0.51 -0.79 1.69 0.00 -0.55 0.00 0.00 41.25 41.10 3k4l s ASN 341 CO 0.60 -0.37 2.11 1.55 -2.79 0.00 0.00 177.10 178.20 3k4l h PRO 342 N 7.63 0.00 -0.10 0.43 0.13 -2.00 0.12 132.00 138.21 3k4l h PRO 342 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3k4l h PRO 342 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3k4l h PRO 342 CO 0.44 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.24 3k4l n ALA 343 N -2.12 2.05 -2.69 -0.56 0.00 -1.26 -3.94 120.51 111.99 3k4l n ALA 343 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3k4l n ALA 343 Cb 0.23 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.76 3k4l n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4l n ASN 344 N -0.38 -1.77 -4.75 0.00 4.05 0.42 -5.16 115.26 107.67 3k4l n ASN 344 Ca 0.00 -2.38 -0.36 0.00 0.45 0.00 0.00 54.58 52.29 3k4l n ASN 344 Cb 0.02 1.22 0.04 0.00 1.23 0.00 0.00 39.78 42.29 3k4l n ASN 344 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3k4l s PRO 345 N 0.25 2.91 0.83 1.20 0.02 -1.22 -4.74 135.00 134.24 3k4l s PRO 345 Ca 0.26 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 63.05 3k4l s PRO 345 Cb 0.24 -1.92 0.09 0.00 0.02 0.00 0.00 34.50 32.93 3k4l s PRO 345 CO -0.14 -1.27 1.11 -1.25 -0.33 0.00 0.00 177.00 175.11 3k4l s PRO 346 N -3.32 1.79 -0.13 5.54 0.04 -1.26 -4.97 135.00 132.68 3k4l s PRO 346 Ca 0.78 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 3k4l s PRO 346 Cb -0.32 -1.84 -0.25 0.00 0.04 0.00 0.00 34.50 32.13 3k4l s PRO 346 CO 0.35 -2.00 0.49 0.93 0.04 0.00 0.00 177.00 176.81 3k4l h GLU 347 N -1.39 0.16 -5.51 4.56 5.08 -1.93 -3.42 114.58 112.13 3k4l h GLU 347 Ca -0.44 -0.28 -0.59 0.00 -1.00 0.00 0.00 59.36 57.05 3k4l h GLU 347 Cb 1.25 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 3k4l h GLU 347 CO 0.49 1.13 -0.31 -1.17 -1.00 0.00 0.00 179.01 178.15 3k4l s LEU 348 N -7.66 4.25 -0.95 1.33 2.96 -1.26 -4.54 118.68 112.80 3k4l s LEU 348 Ca -0.22 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.11 3k4l s LEU 348 Cb 0.04 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3k4l s LEU 348 CO 0.72 0.09 0.63 0.18 -1.32 0.00 0.00 176.35 176.65 3k4l n LEU 349 N 3.58 -1.48 0.17 -0.68 4.77 -1.26 -0.83 117.00 121.27 3k4l n LEU 349 Ca -0.11 -1.06 0.12 0.00 -0.03 0.00 0.00 56.01 54.93 3k4l n LEU 349 Cb 0.52 -1.66 0.62 0.00 -2.33 0.00 0.00 43.42 40.57 3k4l n LEU 349 CO 0.40 0.49 0.86 1.55 -1.33 0.00 0.00 177.39 179.36 3k4l h PRO 350 N -1.01 0.00 -0.01 3.23 0.13 -1.81 -2.27 132.00 130.27 3k4l h PRO 350 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3k4l h PRO 350 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3k4l h PRO 350 CO 0.41 0.00 -0.31 0.43 -0.23 0.00 0.00 178.00 178.30 3k4l n SER 351 N -2.32 0.87 -4.73 1.44 7.64 -1.26 -4.85 113.62 110.41 3k4l n SER 351 Ca -0.01 -0.71 -0.42 0.00 1.01 0.00 0.00 58.87 58.74 3k4l n SER 351 Cb 0.06 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3k4l n SER 351 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4l s LEU 352 N -2.63 4.37 0.00 -3.43 2.96 -0.85 -1.55 118.68 117.55 3k4l s LEU 352 Ca 0.21 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.88 3k4l s LEU 352 Cb 0.19 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3k4l s LEU 352 CO 0.56 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 3k4l n GLY 353 N 3.21 0.71 3.81 7.98 0.00 0.49 -4.89 105.19 116.51 3k4l n GLY 353 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3k4l n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4l s SER 354 N -2.61 5.12 -1.42 1.61 0.01 -0.59 -0.61 113.70 115.21 3k4l s SER 354 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 3k4l s SER 354 Cb 0.00 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.29 3k4l s SER 354 CO 0.00 -0.30 0.00 -1.22 0.41 0.00 0.00 173.24 172.13 3k4l n TYR 355 N -1.28 -0.39 -2.18 2.43 4.02 -0.85 -4.61 117.16 114.31 3k4l n TYR 355 Ca -0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.50 3k4l n TYR 355 Cb 0.60 -2.91 0.00 0.00 -0.02 0.00 0.00 39.34 37.02 3k4l n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4l s ILE 356 N -2.66 2.96 -0.03 -0.72 -4.36 -0.98 -4.45 121.20 110.96 3k4l s ILE 356 Ca 0.00 0.67 0.04 0.00 -0.26 0.00 0.00 60.65 61.10 3k4l s ILE 356 Cb 0.00 -3.31 -0.00 0.00 1.25 0.00 0.00 42.46 40.39 3k4l s ILE 356 CO 0.00 -0.06 -0.14 0.42 0.24 0.00 0.00 174.94 175.40 3k4l s THR 357 N -1.59 1.17 0.02 8.37 -4.23 -0.54 -4.58 115.64 114.26 3k4l s THR 357 Ca 0.69 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 3k4l s THR 357 Cb -0.29 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 3k4l s THR 357 CO 0.34 0.34 -0.03 -0.70 -0.54 0.00 0.00 174.62 174.02 3k4l s GLU 358 N -0.07 0.29 0.22 3.99 2.56 -1.26 -0.56 118.70 123.86 3k4l s GLU 358 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 54.97 54.26 3k4l s GLU 358 Cb -0.09 -0.03 -0.09 0.00 2.00 0.00 0.00 34.13 35.93 3k4l s GLU 358 CO 0.01 -0.01 0.83 -0.65 -0.56 0.00 0.00 175.26 174.88 3k4l s GLN 359 N -1.03 4.56 0.54 4.30 -0.21 -1.26 -4.56 119.66 121.99 3k4l s GLN 359 Ca -0.10 1.19 -0.19 0.00 0.02 0.00 0.00 55.36 56.28 3k4l s GLN 359 Cb -0.07 -3.10 -0.06 0.00 1.00 0.00 0.00 33.01 30.78 3k4l s GLN 359 CO -0.00 0.47 1.10 -1.12 -2.12 0.00 0.00 175.29 173.62 3k4l s SER 360 N -1.34 5.84 -0.03 5.90 0.01 -1.25 -4.67 113.70 118.17 3k4l s SER 360 Ca 0.41 2.09 -0.01 0.00 1.31 0.00 0.00 55.95 59.75 3k4l s SER 360 Cb -0.21 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.47 3k4l s SER 360 CO 0.26 -1.13 0.04 -0.22 0.41 0.00 0.00 173.24 172.60 3k4l s LEU 361 N -3.81 0.74 0.11 2.44 2.96 -1.26 -0.55 118.68 119.31 3k4l s LEU 361 Ca 0.71 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 3k4l s LEU 361 Cb -0.21 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3k4l s LEU 361 CO 0.26 -0.17 -0.10 0.68 -1.32 0.00 0.00 176.35 175.70 3k4l s VAL 362 N 1.46 3.37 -0.04 1.68 -7.23 -0.63 -0.74 120.40 118.28 3k4l s VAL 362 Ca -0.04 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 3k4l s VAL 362 Cb -0.13 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.24 3k4l s VAL 362 CO -0.03 0.10 0.16 0.12 -0.31 0.00 0.00 175.10 175.14 3k4l s PHE 363 N -1.23 -0.09 0.25 2.82 5.36 -0.28 -1.85 117.98 122.96 3k4l s PHE 363 Ca 0.22 0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 56.18 3k4l s PHE 363 Cb -0.11 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.62 3k4l s PHE 363 CO 0.14 -0.17 0.77 0.00 -1.46 0.00 0.00 175.22 174.50 3k4l s GLN 365 N -3.78 1.45 0.17 0.00 -0.21 -0.43 -1.00 119.66 115.87 3k4l s GLN 365 Ca 0.11 -1.61 0.07 0.00 0.02 0.00 0.00 55.36 53.95 3k4l s GLN 365 Cb -0.05 -1.44 -0.04 0.00 1.00 0.00 0.00 33.01 32.48 3k4l s GLN 365 CO 0.05 0.27 -0.15 0.95 -2.12 0.00 0.00 175.29 174.29 3k4l s THR 366 N -2.53 1.60 -0.23 -0.19 -4.23 -0.33 -0.12 115.64 109.61 3k4l s THR 366 Ca 0.24 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3k4l s THR 366 Cb -0.04 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.93 3k4l s THR 366 CO 0.10 -0.53 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.92 3k4l s VAL 367 N -2.67 3.20 0.25 2.29 1.01 -0.20 -1.91 120.40 122.36 3k4l s VAL 367 Ca 0.18 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3k4l s VAL 367 Cb -0.02 -2.52 -0.15 0.00 0.00 0.00 0.00 36.38 33.69 3k4l s VAL 367 CO 0.05 0.33 1.09 0.80 0.00 0.00 0.00 175.10 177.37 3k4l n MET 368 N 4.76 1.33 -2.00 2.72 1.56 0.24 -3.43 117.12 122.30 3k4l n MET 368 Ca -0.17 0.47 -0.36 0.00 -0.27 0.00 0.00 57.70 57.36 3k4l n MET 368 Cb 0.49 -1.90 0.03 0.00 2.15 0.00 0.00 33.22 34.00 3k4l n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4l s SER 369 N -0.31 5.24 0.23 6.12 1.04 -0.35 -4.86 113.70 120.81 3k4l s SER 369 Ca 0.64 2.43 -0.06 0.00 0.48 0.00 0.00 55.95 59.44 3k4l s SER 369 Cb -0.75 -2.60 0.36 0.00 0.10 0.00 0.00 66.02 63.13 3k4l s SER 369 CO 0.56 -1.56 1.76 0.74 0.98 0.00 0.00 173.24 175.72 3k4l h THR 370 N 0.99 0.78 -0.49 2.02 2.02 -1.91 -1.01 112.91 115.32 3k4l h THR 370 Ca -0.50 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.51 3k4l h THR 370 Cb 1.30 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3k4l h THR 370 CO 0.56 0.10 0.31 -0.08 0.37 0.00 0.00 175.52 176.77 3k4l h GLU 371 N 0.53 0.60 -0.30 6.66 4.81 -1.97 -0.07 114.58 124.84 3k4l h GLU 371 Ca 0.36 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3k4l h GLU 371 Cb 0.44 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3k4l h GLU 371 CO -0.31 0.40 0.09 -0.07 -0.73 0.00 0.00 179.01 178.39 3k4l h LEU 372 N 0.62 0.44 -0.51 1.64 3.38 -1.80 -1.59 115.31 117.49 3k4l h LEU 372 Ca 0.19 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3k4l h LEU 372 Cb -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3k4l h LEU 372 CO -0.07 0.53 0.28 0.40 0.09 0.00 0.00 178.44 179.67 3k4l h ILE 373 N 0.33 1.01 -0.24 1.22 1.08 -1.01 -2.17 117.51 117.73 3k4l h ILE 373 Ca 0.10 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 3k4l h ILE 373 Cb 0.25 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3k4l h ILE 373 CO -0.00 0.10 0.05 0.44 -0.69 0.00 0.00 178.15 178.05 3k4l h ASP 374 N 0.55 0.30 0.35 1.72 3.32 -0.91 -2.45 116.42 119.31 3k4l h ASP 374 Ca 0.21 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3k4l h ASP 374 Cb 0.07 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3k4l h ASP 374 CO -0.12 0.32 -0.34 0.77 -1.72 0.00 0.00 179.24 178.16 3k4l h SER 375 N 0.34 0.00 -0.80 6.45 4.64 -0.65 -2.49 113.55 121.04 3k4l h SER 375 Ca 0.08 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 3k4l h SER 375 Cb 0.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 3k4l h SER 375 CO -0.00 0.34 0.52 0.58 -0.87 0.00 0.00 176.83 177.39 3k4l h VAL 376 N 0.00 0.91 -0.43 0.95 2.07 -1.13 -2.45 116.25 116.17 3k4l h VAL 376 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3k4l h VAL 376 Cb 0.60 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3k4l h VAL 376 CO 0.04 0.12 0.03 2.29 0.02 0.00 0.00 177.57 180.07 3k4l n LYS 377 N -4.51 3.70 0.28 1.57 2.85 -0.95 -4.69 118.16 116.41 3k4l n LYS 377 Ca 0.14 -3.01 0.12 0.00 -1.05 0.00 0.00 58.31 54.51 3k4l n LYS 377 Cb 0.38 -2.04 0.78 0.00 -0.65 0.00 0.00 35.03 33.49 3k4l n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4l h SER 378 N 2.68 0.00 0.04 -5.58 4.64 -1.28 -1.93 113.55 112.12 3k4l h SER 378 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3k4l h SER 378 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3k4l h SER 378 CO 0.39 0.03 -0.04 0.47 -0.87 0.00 0.00 176.83 176.81 3k4l n ASP 379 N -4.08 1.17 -4.79 4.97 8.00 -1.26 -4.91 116.55 115.66 3k4l n ASP 379 Ca -0.03 -1.30 -0.38 0.00 0.71 0.00 0.00 54.79 53.79 3k4l n ASP 379 Cb 0.11 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3k4l n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4l s MET 380 N -2.09 4.42 -0.24 -1.24 -1.94 -0.73 -4.59 119.30 112.89 3k4l s MET 380 Ca 0.37 1.01 -0.13 0.00 -1.71 0.00 0.00 55.69 55.24 3k4l s MET 380 Cb 0.21 -3.15 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 3k4l s MET 380 CO 0.37 0.53 0.26 0.99 -0.01 0.00 0.00 175.02 177.16 3k4l s THR 381 N -1.25 5.28 -0.13 2.05 2.01 0.94 -4.95 115.64 119.60 3k4l s THR 381 Ca 0.37 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.75 3k4l s THR 381 Cb -0.21 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 3k4l s THR 381 CO 0.24 0.28 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.65 3k4l s ILE 382 N 1.37 2.74 -0.01 1.82 1.01 -1.26 -1.20 121.20 125.68 3k4l s ILE 382 Ca 0.12 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3k4l s ILE 382 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3k4l s ILE 382 CO 0.07 0.53 -0.16 -0.13 0.00 0.00 0.00 174.94 175.25 3k4l s ARG 383 N 0.41 1.32 1.15 2.79 0.52 0.03 -5.00 118.95 120.18 3k4l s ARG 383 Ca -0.12 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3k4l s ARG 383 Cb -0.16 -1.27 0.00 0.00 0.52 0.00 0.00 34.95 34.03 3k4l s ARG 383 CO 0.06 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.13 3k4l n GLY 384 N 2.70 -1.88 3.25 -3.53 0.00 -1.26 -0.98 105.19 103.48 3k4l n GLY 384 Ca -0.15 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3k4l n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4l s THR 385 N 0.00 1.82 0.43 2.61 -4.23 -1.26 -4.87 115.64 110.13 3k4l s THR 385 Ca 0.00 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.29 3k4l s THR 385 Cb 0.00 -1.52 -0.10 0.00 1.34 0.00 0.00 72.50 72.22 3k4l s THR 385 CO 0.00 0.51 1.11 -2.65 -0.54 0.00 0.00 174.62 173.06 3k4l n PRO 386 N 2.66 1.55 0.00 3.99 -0.02 -1.26 -1.69 135.00 140.22 3k4l n PRO 386 Ca -0.16 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3k4l n PRO 386 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3k4l n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4l n GLY 387 N 1.04 2.84 3.85 -1.23 0.00 -1.26 -5.04 105.19 105.39 3k4l n GLY 387 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3k4l n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4l s GLU 388 N -0.44 3.99 0.61 1.61 8.01 -0.68 -4.96 118.70 126.83 3k4l s GLU 388 Ca 0.00 0.79 0.33 0.00 0.01 0.00 0.00 54.97 56.10 3k4l s GLU 388 Cb 0.00 -2.30 1.96 0.00 -4.31 0.00 0.00 34.13 29.48 3k4l s GLU 388 CO 0.00 -0.03 2.27 -0.07 0.01 0.00 0.00 175.26 177.45 3k4l h LEU 389 N 1.64 0.00 -3.14 1.80 3.38 -1.96 -1.86 115.31 115.17 3k4l h LEU 389 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3k4l h LEU 389 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3k4l h LEU 389 CO 0.63 0.01 0.00 0.35 0.09 0.00 0.00 178.44 179.52 3k4l n THR 390 N -3.64 1.92 -1.87 0.22 -2.24 -1.26 -4.99 114.28 102.42 3k4l n THR 390 Ca -0.03 -1.72 -0.41 0.00 -2.27 0.00 0.00 64.05 59.62 3k4l n THR 390 Cb 0.09 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3k4l n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4l s TYR 391 N -2.39 2.71 -0.13 4.78 5.04 -0.70 -4.64 117.35 122.02 3k4l s TYR 391 Ca 0.35 1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 56.10 3k4l s TYR 391 Cb 0.27 -3.95 0.06 0.00 0.35 0.00 0.00 41.96 38.69 3k4l s TYR 391 CO 0.09 -2.81 0.29 0.45 -1.34 0.00 0.00 175.55 172.22 3k4l s SER 392 N -0.13 -0.14 -0.19 4.32 0.15 -0.15 -4.99 113.70 112.55 3k4l s SER 392 Ca 0.53 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.82 3k4l s SER 392 Cb -0.45 0.59 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 3k4l s SER 392 CO 0.59 -0.19 -0.16 -0.69 1.20 0.00 0.00 173.24 173.99 3k4l s VAL 393 N 1.66 1.92 0.18 4.45 1.01 -1.26 -0.79 120.40 127.57 3k4l s VAL 393 Ca -0.06 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.91 3k4l s VAL 393 Cb -0.11 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3k4l s VAL 393 CO -0.09 0.36 0.00 0.42 0.00 0.00 0.00 175.10 175.78 3k4l s THR 394 N 1.31 0.71 0.20 3.92 -4.23 -0.34 -4.95 115.64 112.26 3k4l s THR 394 Ca 0.01 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 3k4l s THR 394 Cb -0.15 -2.14 -0.00 0.00 1.34 0.00 0.00 72.50 71.55 3k4l s THR 394 CO -0.10 -0.46 0.39 -0.72 -0.54 0.00 0.00 174.62 173.19 3k4l s TYR 395 N -3.64 0.32 -0.37 3.99 1.13 -1.26 -0.04 117.35 117.48 3k4l s TYR 395 Ca 0.24 -0.67 -0.11 0.00 -1.41 0.00 0.00 57.07 55.12 3k4l s TYR 395 Cb 0.06 0.10 0.03 0.00 -1.10 0.00 0.00 41.96 41.04 3k4l s TYR 395 CO 0.04 -0.85 0.21 0.99 -2.51 0.00 0.00 175.55 173.43 3k4l s THR 396 N -3.98 4.59 0.34 -3.49 2.01 -1.26 -5.04 115.64 108.82 3k4l s THR 396 Ca 0.18 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 3k4l s THR 396 Cb 0.01 -3.56 -0.11 0.00 0.01 0.00 0.00 72.50 68.85 3k4l s THR 396 CO 0.03 -0.23 1.53 -2.84 -0.69 0.00 0.00 174.62 172.43 3k4l s PRO 397 N 1.56 4.11 0.00 4.92 0.02 -1.26 -2.65 135.00 141.70 3k4l s PRO 397 Ca 0.02 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3k4l s PRO 397 Cb -0.19 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3k4l s PRO 397 CO 0.07 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3k4l n GLY 398 N 1.13 1.08 3.72 0.52 0.00 -1.26 -5.00 105.19 105.37 3k4l n GLY 398 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3k4l n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4l s ALA 399 N -3.78 3.70 0.57 4.61 0.00 -1.08 -4.91 121.76 120.87 3k4l s ALA 399 Ca 0.00 1.29 0.31 0.00 0.00 0.00 0.00 51.96 53.56 3k4l s ALA 399 Cb 0.00 -3.59 1.83 0.00 0.00 0.00 0.00 23.12 21.36 3k4l s ALA 399 CO 0.00 -0.72 2.24 0.66 0.00 0.00 0.00 175.76 177.94 3k4l h SER 400 N 6.55 0.00 0.40 0.00 4.64 -1.94 -1.82 113.55 121.38 3k4l h SER 400 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3k4l h SER 400 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k4l h SER 400 CO 0.88 0.02 -0.16 0.35 -0.87 0.00 0.00 176.83 177.05 3k4l n THR 401 N -3.74 0.00 -2.42 2.95 -2.24 -1.26 -4.88 114.28 102.69 3k4l n THR 401 Ca -0.03 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 3k4l n THR 401 Cb 0.10 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3k4l n THR 401 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k4l s ASN 402 N -2.56 6.74 0.00 3.42 0.01 -0.69 -4.92 114.94 116.94 3k4l s ASN 402 Ca 0.25 2.22 0.24 0.00 -0.71 0.00 0.00 52.86 54.86 3k4l s ASN 402 Cb 0.20 -2.61 0.25 0.00 0.41 0.00 0.00 41.25 39.50 3k4l s ASN 402 CO 0.50 -0.51 1.23 0.29 -1.51 0.00 0.00 177.10 177.10 3k4l n LYS 403 N 0.21 0.20 -4.16 -0.60 4.76 -1.26 -4.95 118.16 112.37 3k4l n LYS 403 Ca 0.04 -0.14 -0.13 0.00 -2.87 0.00 0.00 58.31 55.20 3k4l n LYS 403 Cb 0.47 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 3k4l n LYS 403 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3k4l s HIS 404 N -2.90 0.95 0.85 2.13 3.76 -1.26 -5.12 115.29 113.70 3k4l s HIS 404 Ca 0.12 -0.71 -0.10 0.00 -0.15 0.00 0.00 55.06 54.22 3k4l s HIS 404 Cb 0.17 -0.53 0.11 0.00 1.11 0.00 0.00 32.58 33.44 3k4l s HIS 404 CO 0.72 -0.06 1.12 -2.14 -0.85 0.00 0.00 174.74 173.54 3k4l s PRO 405 N -2.94 1.57 0.27 8.40 0.02 -1.26 -4.86 135.00 136.20 3k4l s PRO 405 Ca 0.05 1.39 -0.02 0.00 0.02 0.00 0.00 61.00 62.44 3k4l s PRO 405 Cb -0.01 -1.80 0.42 0.00 0.02 0.00 0.00 34.50 33.13 3k4l s PRO 405 CO -0.01 -2.20 1.90 -0.44 -0.33 0.00 0.00 177.00 175.92 3k4l h ASP 406 N -1.54 1.02 -0.27 2.53 3.32 -1.99 -2.21 116.42 117.29 3k4l h ASP 406 Ca -0.43 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 3k4l h ASP 406 Cb 1.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3k4l h ASP 406 CO 0.46 0.67 -0.03 4.11 -1.72 0.00 0.00 179.24 182.73 3k4l h TRP 407 N 1.16 0.64 0.31 4.55 5.08 -2.00 0.14 115.95 125.85 3k4l h TRP 407 Ca 0.41 -0.08 -0.02 0.00 1.08 0.00 0.00 58.89 60.29 3k4l h TRP 407 Cb 0.13 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.11 3k4l h TRP 407 CO -0.00 0.63 -0.15 2.35 -1.28 0.00 0.00 178.44 179.99 3k4l h TRP 408 N 0.58 -0.39 -0.48 0.12 2.91 -1.78 -2.59 115.95 114.32 3k4l h TRP 408 Ca 0.12 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 3k4l h TRP 408 Cb 0.40 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 3k4l h TRP 408 CO 0.02 -0.16 0.26 -0.91 -1.03 0.00 0.00 178.44 176.61 3k4l h ASN 409 N -0.54 0.59 -0.49 2.65 2.35 -1.15 -1.44 115.58 117.54 3k4l h ASN 409 Ca -0.04 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3k4l h ASN 409 Cb 0.40 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3k4l h ASN 409 CO 0.07 0.48 0.10 -0.08 -1.65 0.00 0.00 177.43 176.35 3k4l h GLU 410 N 0.67 0.80 -0.57 0.81 4.57 -0.90 -0.12 114.58 119.84 3k4l h GLU 410 Ca 0.17 -0.20 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3k4l h GLU 410 Cb 0.03 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3k4l h GLU 410 CO -0.03 0.79 0.37 0.87 -1.18 0.00 0.00 179.01 179.83 3k4l h LYS 411 N 0.68 0.72 0.11 1.92 1.57 -1.03 -1.11 116.57 119.44 3k4l h LYS 411 Ca 0.15 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3k4l h LYS 411 Cb 0.36 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3k4l h LYS 411 CO 0.00 0.48 -0.05 0.28 -0.57 0.00 0.00 179.45 179.59 3k4l h VAL 412 N 0.74 1.04 -0.42 0.50 2.07 -1.05 -1.38 116.25 117.75 3k4l h VAL 412 Ca 0.22 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3k4l h VAL 412 Cb -0.05 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3k4l h VAL 412 CO -0.07 0.14 0.14 0.50 0.02 0.00 0.00 177.57 178.31 3k4l h LYS 413 N -0.43 0.29 -0.50 1.57 3.64 -1.02 -0.91 116.57 119.22 3k4l h LYS 413 Ca -0.02 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3k4l h LYS 413 Cb 0.35 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3k4l h LYS 413 CO 0.03 0.19 0.12 -0.91 -2.27 0.00 0.00 179.45 176.61 3k4l h ASN 414 N 0.30 0.76 -0.37 4.20 2.35 -1.14 -0.94 115.58 120.74 3k4l h ASN 414 Ca 0.20 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3k4l h ASN 414 Cb 0.19 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3k4l h ASN 414 CO -0.21 0.80 0.23 -0.74 -1.65 0.00 0.00 177.43 175.86 3k4l h HIS 415 N 0.69 0.48 -0.28 1.19 -0.00 -0.88 -0.56 115.15 115.79 3k4l h HIS 415 Ca 0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 3k4l h HIS 415 Cb 0.33 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 3k4l h HIS 415 CO 0.02 0.34 -0.18 0.52 -0.00 0.00 0.00 177.93 178.63 3k4l h MET 416 N 0.49 0.50 0.20 5.26 2.86 -0.84 -0.38 114.93 123.02 3k4l h MET 416 Ca 0.13 -0.16 -0.30 0.00 -2.06 0.00 0.00 59.70 57.31 3k4l h MET 416 Cb -0.01 -0.04 0.03 0.00 0.06 0.00 0.00 31.60 31.64 3k4l h MET 416 CO -0.03 0.66 -1.28 0.52 1.06 0.00 0.00 176.91 177.85 3k4l h MET 417 N 0.46 0.52 0.00 1.72 2.07 -1.04 -3.31 114.93 115.35 3k4l h MET 417 Ca 0.08 -0.82 -0.04 0.00 -2.07 0.00 0.00 59.70 56.85 3k4l h MET 417 Cb 0.57 0.30 -0.01 0.00 -1.87 0.00 0.00 31.60 30.60 3k4l h MET 417 CO 0.04 1.39 -0.17 1.96 1.07 0.00 0.00 176.91 181.19 3k4l h GLN 418 N 0.08 0.00 -2.10 1.72 4.20 -1.05 -3.37 115.11 114.59 3k4l h GLN 418 Ca -0.22 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.93 3k4l h GLN 418 Cb 1.99 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.37 3k4l h GLN 418 CO 0.24 0.17 -0.90 0.72 -0.67 0.00 0.00 178.83 178.39 3k4l n HIS 419 N -3.21 1.57 0.36 2.96 8.25 -0.16 -4.92 115.22 120.07 3k4l n HIS 419 Ca 0.02 -3.85 0.11 0.00 -0.26 0.00 0.00 57.72 53.74 3k4l n HIS 419 Cb 0.50 -0.45 0.49 0.00 1.12 0.00 0.00 29.99 31.66 3k4l n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4l n GLN 420 N 0.81 0.17 0.05 -0.41 6.02 -1.24 -1.39 117.38 121.39 3k4l n GLN 420 Ca 0.26 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.82 3k4l n GLN 420 Cb 0.50 -1.86 0.47 0.00 1.02 0.00 0.00 30.24 30.36 3k4l n GLN 420 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3k4l n GLU 421 N -2.20 0.10 -3.76 -1.09 0.00 -1.26 -4.57 120.64 107.86 3k4l n GLU 421 Ca 0.02 0.18 -0.35 0.00 0.00 0.00 0.00 57.16 57.01 3k4l n GLU 421 Cb 0.19 -1.64 -0.08 0.00 0.00 0.00 0.00 31.44 29.91 3k4l n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4l s ASP 422 N -3.60 6.14 0.00 -1.84 2.15 -0.49 -4.99 116.67 114.04 3k4l s ASP 422 Ca 0.10 0.21 0.29 0.00 0.43 0.00 0.00 52.55 53.57 3k4l s ASP 422 Cb 0.13 -2.08 1.23 0.00 -0.30 0.00 0.00 42.92 41.91 3k4l s ASP 422 CO 0.46 0.17 1.85 -0.81 -0.17 0.00 0.00 175.17 176.67 3k4l n PRO 423 N 3.55 1.38 -4.14 4.34 -0.04 -1.26 -4.91 135.00 133.92 3k4l n PRO 423 Ca -0.16 -0.66 -0.32 0.00 -0.04 0.00 0.00 63.50 62.32 3k4l n PRO 423 Cb 0.52 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 3k4l n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4l s LEU 424 N -2.08 3.77 0.00 1.53 1.43 -1.26 -5.02 118.68 117.05 3k4l s LEU 424 Ca 0.38 0.08 0.29 0.00 -1.03 0.00 0.00 54.13 53.85 3k4l s LEU 424 Cb 0.21 -2.24 1.29 0.00 0.03 0.00 0.00 46.19 45.49 3k4l s LEU 424 CO 0.37 0.26 1.89 -0.81 0.23 0.00 0.00 176.35 178.29 3k4l n PRO 425 N 1.12 0.91 -3.08 1.29 -0.04 -1.26 -4.83 135.00 129.10 3k4l n PRO 425 Ca -0.13 -0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 62.61 3k4l n PRO 425 Cb 0.52 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 3k4l n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4l s ILE 426 N -2.32 5.03 0.57 0.52 1.01 -1.26 -4.60 121.20 120.15 3k4l s ILE 426 Ca 0.33 1.33 -0.21 0.00 0.00 0.00 0.00 60.65 62.10 3k4l s ILE 426 Cb 0.20 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3k4l s ILE 426 CO 0.44 0.18 1.36 -2.84 0.00 0.00 0.00 174.94 174.07 3k4l s PRO 427 N 1.38 3.02 0.42 2.79 0.02 -1.26 -4.93 135.00 136.44 3k4l s PRO 427 Ca 0.33 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.68 3k4l s PRO 427 Cb -0.17 -2.19 0.93 0.00 0.02 0.00 0.00 34.50 33.09 3k4l s PRO 427 CO 0.14 -1.28 2.05 0.74 -0.33 0.00 0.00 177.00 178.31 3k4l h PHE 428 N 1.29 0.46 -0.58 6.54 0.04 -1.97 -2.94 116.94 119.78 3k4l h PHE 428 Ca -0.51 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.17 3k4l h PHE 428 Cb 1.31 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 39.24 3k4l h PHE 428 CO 0.45 0.27 0.13 0.39 -0.60 0.00 0.00 178.31 178.96 3k4l n GLU 429 N -4.48 3.83 -2.11 1.51 1.02 -1.26 -4.94 120.64 114.21 3k4l n GLU 429 Ca 0.04 -2.68 -0.42 0.00 -0.02 0.00 0.00 57.16 54.08 3k4l n GLU 429 Cb 0.14 -2.13 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 3k4l n GLU 429 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k4l s ASP 430 N -0.74 6.77 0.84 1.62 2.15 -1.11 -4.90 116.67 121.29 3k4l s ASP 430 Ca 0.47 2.37 -0.12 0.00 0.43 0.00 0.00 52.55 55.71 3k4l s ASP 430 Cb 0.37 -2.58 0.10 0.00 -0.30 0.00 0.00 42.92 40.51 3k4l s ASP 430 CO 0.13 -0.71 1.16 -2.84 -0.17 0.00 0.00 175.17 172.74 3k4l s PRO 431 N 1.33 1.52 0.67 4.34 0.02 -1.26 -4.98 135.00 136.64 3k4l s PRO 431 Ca 0.66 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 63.12 3k4l s PRO 431 Cb -0.38 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3k4l s PRO 431 CO 0.30 -2.26 1.05 -1.83 -0.33 0.00 0.00 177.00 173.93 3k4l s GLU 432 N -4.48 3.12 0.54 5.54 1.03 -1.26 -4.50 118.70 118.69 3k4l s GLU 432 Ca 0.68 0.94 -0.20 0.00 0.03 0.00 0.00 54.97 56.42 3k4l s GLU 432 Cb -0.24 -2.01 -0.05 0.00 -0.80 0.00 0.00 34.13 31.03 3k4l s GLU 432 CO 0.54 -0.96 1.19 -1.25 -1.33 0.00 0.00 175.26 173.45 3k4l s PRO 433 N -4.94 3.30 -0.41 -4.83 0.05 -1.26 -4.61 135.00 122.29 3k4l s PRO 433 Ca 0.58 1.80 0.08 0.00 0.05 0.00 0.00 61.00 63.50 3k4l s PRO 433 Cb -0.14 -2.11 0.25 0.00 0.05 0.00 0.00 34.50 32.56 3k4l s PRO 433 CO 0.52 -0.94 0.60 1.04 0.05 0.00 0.00 177.00 178.28 3k4l n GLN 434 N -1.17 0.73 -4.41 4.56 1.13 -1.25 -2.82 117.38 114.15 3k4l n GLN 434 Ca 0.11 -2.89 -0.32 0.00 -1.94 0.00 0.00 57.00 51.96 3k4l n GLN 434 Cb 0.49 -1.27 -0.10 0.00 0.11 0.00 0.00 30.24 29.47 3k4l n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4l s VAL 435 N -0.77 3.75 0.02 5.09 1.01 0.66 -0.66 120.40 129.50 3k4l s VAL 435 Ca 0.34 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3k4l s VAL 435 Cb 0.18 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3k4l s VAL 435 CO -0.14 0.37 0.03 0.28 0.00 0.00 0.00 175.10 175.64 3k4l s THR 436 N -1.03 0.12 -0.23 3.92 -1.32 0.11 -0.56 115.64 116.65 3k4l s THR 436 Ca 0.18 -0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 3k4l s THR 436 Cb -0.11 -0.49 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 3k4l s THR 436 CO 0.08 -0.52 -0.08 0.28 -2.21 0.00 0.00 174.62 172.18 3k4l s THR 437 N -1.80 2.93 0.53 5.08 -1.32 -1.26 -1.24 115.64 118.55 3k4l s THR 437 Ca -0.12 -0.81 -0.19 0.00 -1.21 0.00 0.00 61.69 59.36 3k4l s THR 437 Cb -0.07 -2.39 -0.07 0.00 -1.51 0.00 0.00 72.50 68.47 3k4l s THR 437 CO -0.02 0.34 1.06 -0.76 -2.21 0.00 0.00 174.62 173.03 3k4l s LEU 438 N 1.38 3.73 -0.01 9.08 1.43 -1.26 -3.77 118.68 129.26 3k4l s LEU 438 Ca 0.03 1.93 -0.37 0.00 -1.03 0.00 0.00 54.13 54.69 3k4l s LEU 438 Cb -0.15 -4.55 -0.19 0.00 0.03 0.00 0.00 46.19 41.33 3k4l s LEU 438 CO -0.05 -0.95 1.00 0.33 0.23 0.00 0.00 176.35 176.90 3k4l n PHE 439 N -1.33 0.61 -4.00 0.29 -0.00 -1.16 -4.96 117.46 106.89 3k4l n PHE 439 Ca 0.09 0.98 -0.08 0.00 -0.00 0.00 0.00 57.45 58.45 3k4l n PHE 439 Cb 0.52 -1.94 -0.09 0.00 -0.00 0.00 0.00 39.48 37.97 3k4l n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4l s GLN 440 N 0.03 0.63 0.29 -4.13 -1.52 -0.99 -4.94 119.66 109.03 3k4l s GLN 440 Ca 0.84 -1.03 0.04 0.00 -1.95 0.00 0.00 55.36 53.26 3k4l s GLN 440 Cb -1.18 0.23 0.72 0.00 -0.22 0.00 0.00 33.01 32.56 3k4l s GLN 440 CO 0.53 -0.14 1.71 -1.35 -0.25 0.00 0.00 175.29 175.78 3k4l h PRO 441 N 3.28 0.43 0.00 2.91 0.11 -1.98 0.50 132.00 137.25 3k4l h PRO 441 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k4l h PRO 441 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k4l h PRO 441 CO 0.59 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 177.54 3k4l n SER 442 N -5.01 0.59 -3.12 -2.05 3.41 -1.26 -3.97 113.62 102.21 3k4l n SER 442 Ca 0.22 0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 59.22 3k4l n SER 442 Cb 0.63 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 3k4l n SER 442 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4l n HIS 443 N -2.09 -1.53 -0.99 7.33 1.44 -0.01 -5.06 115.22 114.32 3k4l n HIS 443 Ca 0.04 -2.88 -0.25 0.00 -2.01 0.00 0.00 57.72 52.63 3k4l n HIS 443 Cb 0.33 0.42 -0.06 0.00 0.12 0.00 0.00 29.99 30.80 3k4l n HIS 443 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3k4l n PRO 444 N 2.10 2.59 -3.76 -1.40 -0.04 -0.17 -2.35 135.00 131.97 3k4l n PRO 444 Ca 0.21 -1.56 -0.12 0.00 -0.04 0.00 0.00 63.50 62.00 3k4l n PRO 444 Cb 0.54 -2.43 -0.08 0.00 -0.04 0.00 0.00 33.50 31.49 3k4l n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4l s TRP 445 N 2.32 -0.11 0.37 0.54 -2.14 -1.26 -4.27 118.94 114.39 3k4l s TRP 445 Ca 0.56 0.00 -0.08 0.00 2.66 0.00 0.00 56.10 59.24 3k4l s TRP 445 Cb 0.18 0.09 -0.06 0.00 -3.10 0.00 0.00 33.47 30.58 3k4l s TRP 445 CO -0.03 -0.48 0.70 -1.58 -2.66 0.00 0.00 176.95 172.89 3k4l s HIS 446 N -2.33 3.48 0.02 1.66 5.65 -0.45 -3.01 115.29 120.30 3k4l s HIS 446 Ca -0.07 0.89 0.02 0.00 0.25 0.00 0.00 55.06 56.15 3k4l s HIS 446 Cb -0.02 -2.32 -0.01 0.00 -1.18 0.00 0.00 32.58 29.05 3k4l s HIS 446 CO -0.02 -0.02 -0.07 0.95 -0.65 0.00 0.00 174.74 174.93 3k4l s THR 447 N -2.29 0.50 -0.04 0.89 -4.23 -1.25 -1.04 115.64 108.18 3k4l s THR 447 Ca 0.48 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 3k4l s THR 447 Cb -0.10 -0.49 0.03 0.00 1.34 0.00 0.00 72.50 73.27 3k4l s THR 447 CO 0.32 -0.10 -0.00 -1.10 -0.54 0.00 0.00 174.62 173.19 3k4l s GLN 448 N -0.79 0.37 -0.35 3.99 -0.21 -0.19 -4.36 119.66 118.12 3k4l s GLN 448 Ca -0.03 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.43 3k4l s GLN 448 Cb -0.06 -0.57 0.11 0.00 1.00 0.00 0.00 33.01 33.49 3k4l s GLN 448 CO 0.00 -0.15 0.11 0.42 -2.12 0.00 0.00 175.29 173.55 3k4l s ILE 449 N 1.15 1.40 0.05 1.08 1.01 0.28 -0.87 121.20 125.30 3k4l s ILE 449 Ca -0.08 -1.90 -0.03 0.00 0.00 0.00 0.00 60.65 58.64 3k4l s ILE 449 Cb -0.13 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.31 3k4l s ILE 449 CO -0.02 -0.69 0.15 0.00 0.00 0.00 0.00 174.94 174.38 3k4l n HIS 450 N 4.42 -1.00 -3.88 3.97 1.44 -0.11 -0.25 115.22 119.82 3k4l n HIS 450 Ca 0.02 -0.26 -0.27 0.00 -2.01 0.00 0.00 57.72 55.19 3k4l n HIS 450 Cb 0.40 0.13 -0.17 0.00 0.12 0.00 0.00 29.99 30.48 3k4l n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4l s ARG 451 N -2.01 1.36 0.04 -1.40 1.81 -1.13 0.21 118.95 117.83 3k4l s ARG 451 Ca 0.03 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 3k4l s ARG 451 Cb -0.01 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.72 3k4l s ARG 451 CO 0.02 -0.36 0.15 0.34 -0.68 0.00 0.00 175.30 174.77 3k4l s ASP 452 N 1.71 6.04 0.17 0.23 -1.08 -1.26 -4.99 116.67 117.49 3k4l s ASP 452 Ca 0.03 0.20 -0.10 0.00 -0.52 0.00 0.00 52.55 52.16 3k4l s ASP 452 Cb -0.14 -1.79 0.06 0.00 -1.46 0.00 0.00 42.92 39.59 3k4l s ASP 452 CO -0.08 0.21 1.64 0.00 0.52 0.00 0.00 175.17 177.47 3k4l h ALA 453 N 3.48 0.79 0.00 3.66 0.00 -1.98 -3.51 119.26 121.70 3k4l h ALA 453 Ca -0.47 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 53.85 3k4l h ALA 453 Cb 1.17 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.78 3k4l h ALA 453 CO 0.69 0.60 1.64 -1.71 0.00 0.00 0.00 179.25 180.47 3k4l n ASN 454 N -4.25 1.72 0.00 0.00 5.15 -1.26 -4.12 115.26 112.50 3k4l n ASN 454 Ca 0.03 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.73 3k4l n ASN 454 Cb 0.32 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 3k4l n ASN 454 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k4l n GLN 461 N 5.74 0.00 0.08 1.20 6.02 -1.26 -4.98 117.38 124.17 3k4l n GLN 461 Ca 0.27 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.17 3k4l n GLN 461 Cb 0.18 -0.02 -0.09 0.00 1.02 0.00 0.00 30.24 31.33 3k4l n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4l h SER 462 N 0.00 0.15 -3.35 1.08 0.87 -2.07 -3.44 113.55 106.78 3k4l h SER 462 Ca 0.00 -0.15 -0.56 0.00 -1.23 0.00 0.00 61.79 59.85 3k4l h SER 462 Cb 0.03 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 3k4l h SER 462 CO 0.00 1.07 0.04 -0.63 -0.53 0.00 0.00 176.83 176.78 3k4l s ILE 463 N -2.83 4.94 0.19 2.23 -1.09 -1.26 -5.02 121.20 118.36 3k4l s ILE 463 Ca -0.01 1.35 -0.33 0.00 -2.23 0.00 0.00 60.65 59.44 3k4l s ILE 463 Cb 0.09 -3.99 -0.13 0.00 -1.58 0.00 0.00 42.46 36.86 3k4l s ILE 463 CO 0.83 0.35 1.66 -0.67 -1.23 0.00 0.00 174.94 175.88 3k4l n ASP 464 N 3.14 3.58 0.27 3.58 -0.08 -1.26 -4.84 116.55 120.94 3k4l n ASP 464 Ca -0.04 1.07 0.15 0.00 -1.51 0.00 0.00 54.79 54.45 3k4l n ASP 464 Cb 0.51 -1.51 0.76 0.00 2.34 0.00 0.00 41.12 43.22 3k4l n ASP 464 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k4l h SER 465 N 6.38 0.00 -0.08 1.67 4.64 -1.95 -1.58 113.55 122.63 3k4l h SER 465 Ca -0.44 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 3k4l h SER 465 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3k4l h SER 465 CO 0.93 0.09 0.11 0.03 -0.87 0.00 0.00 176.83 177.12 3k4l h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.99 -2.15 114.38 118.09 3k4l h ARG 466 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4l h ARG 466 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3k4l h ARG 466 CO 0.01 0.00 -0.38 -0.07 -1.07 0.00 0.00 179.97 178.47 3k4l h LEU 467 N 0.00 0.00 -9.33 3.04 3.38 -1.65 -3.48 115.31 107.28 3k4l h LEU 467 Ca 0.04 -0.07 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 3k4l h LEU 467 Cb 0.27 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3k4l h LEU 467 CO -0.00 0.03 -0.16 -0.63 0.09 0.00 0.00 178.44 177.77 3k4l s ILE 468 N -3.20 5.20 -0.02 1.22 1.01 -0.81 -0.59 121.20 124.01 3k4l s ILE 468 Ca 0.06 0.91 0.05 0.00 0.00 0.00 0.00 60.65 61.68 3k4l s ILE 468 Cb 0.10 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 3k4l s ILE 468 CO 0.69 0.34 -0.17 -0.69 0.00 0.00 0.00 174.94 175.10 3k4l s VAL 469 N 0.59 1.37 0.02 2.92 1.01 -0.80 -4.93 120.40 120.58 3k4l s VAL 469 Ca 0.25 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3k4l s VAL 469 Cb -0.15 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3k4l s VAL 469 CO 0.10 0.39 0.28 -1.81 0.00 0.00 0.00 175.10 174.05 3k4l s ASP 470 N -0.36 6.49 -0.11 3.32 1.11 0.13 -1.19 116.67 126.06 3k4l s ASP 470 Ca 0.06 0.55 0.02 0.00 0.18 0.00 0.00 52.55 53.36 3k4l s ASP 470 Cb -0.07 -2.09 0.01 0.00 1.07 0.00 0.00 42.92 41.85 3k4l s ASP 470 CO -0.00 0.24 -0.15 0.26 1.18 0.00 0.00 175.17 176.69 3k4l s TRP 471 N -1.33 1.97 -0.07 4.23 0.52 -0.17 -0.94 118.94 123.15 3k4l s TRP 471 Ca 0.29 -0.93 -0.01 0.00 0.02 0.00 0.00 56.10 55.47 3k4l s TRP 471 Cb -0.13 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.80 3k4l s TRP 471 CO 0.17 -0.48 0.01 1.03 0.02 0.00 0.00 176.95 177.70 3k4l s ARG 472 N 1.01 0.51 -0.07 4.98 0.52 -0.05 -2.11 118.95 123.73 3k4l s ARG 472 Ca -0.06 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.32 3k4l s ARG 472 Cb -0.15 -0.92 -0.02 0.00 0.52 0.00 0.00 34.95 34.38 3k4l s ARG 472 CO -0.02 -0.31 -0.17 -0.06 0.02 0.00 0.00 175.30 174.76 3k4l s PHE 473 N 2.00 2.65 -0.18 -0.53 0.40 -0.77 -1.02 117.98 120.53 3k4l s PHE 473 Ca 0.05 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 3k4l s PHE 473 Cb -0.12 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.76 3k4l s PHE 473 CO -0.05 -0.02 -0.18 -0.06 0.70 0.00 0.00 175.22 175.60 3k4l s PHE 474 N -0.31 2.68 0.40 0.36 0.40 -0.21 -1.61 117.98 119.69 3k4l s PHE 474 Ca 0.02 -1.60 -0.02 0.00 -0.60 0.00 0.00 56.93 54.73 3k4l s PHE 474 Cb -0.13 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3k4l s PHE 474 CO 0.03 -0.78 0.64 0.20 0.70 0.00 0.00 175.22 176.00 3k4l s GLY 475 N 1.32 1.41 0.03 4.36 0.00 0.29 -1.34 107.32 113.39 3k4l s GLY 475 Ca 0.04 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 3k4l s GLY 475 CO -0.12 -0.64 0.30 1.09 0.00 0.00 0.00 173.10 173.73 3k4l s ARG 476 N -4.48 3.62 -0.13 2.90 1.70 -1.26 -3.74 118.95 117.56 3k4l s ARG 476 Ca 0.43 -0.03 0.03 0.00 -0.47 0.00 0.00 55.73 55.68 3k4l s ARG 476 Cb -0.10 -3.05 0.01 0.00 -0.57 0.00 0.00 34.95 31.24 3k4l s ARG 476 CO 0.39 0.62 -0.22 0.99 -1.08 0.00 0.00 175.30 176.00 3k4l s THR 477 N -1.35 2.10 0.27 4.99 2.01 -1.26 -4.75 115.64 117.66 3k4l s THR 477 Ca 0.30 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 3k4l s THR 477 Cb -0.13 -1.83 -0.10 0.00 0.01 0.00 0.00 72.50 70.45 3k4l s THR 477 CO 0.17 0.55 1.36 -1.61 -0.69 0.00 0.00 174.62 174.40 3k4l s GLU 478 N 0.71 4.33 0.06 4.92 2.02 -1.26 -4.10 118.70 125.37 3k4l s GLU 478 Ca -0.10 2.22 -0.30 0.00 0.02 0.00 0.00 54.97 56.81 3k4l s GLU 478 Cb -0.16 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 3k4l s GLU 478 CO 0.01 -0.29 1.17 -1.25 0.02 0.00 0.00 175.26 174.92 3k4l s PRO 479 N -0.93 4.45 -0.01 0.39 0.04 -1.26 -4.84 135.00 132.84 3k4l s PRO 479 Ca 0.54 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.32 3k4l s PRO 479 Cb -0.40 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.78 3k4l s PRO 479 CO 0.46 -0.23 -0.05 0.15 0.04 0.00 0.00 177.00 177.38 3k4l s LYS 480 N 1.03 0.48 0.44 4.56 -0.14 -1.26 -5.00 119.74 119.85 3k4l s LYS 480 Ca 0.58 -0.15 0.11 0.00 -1.36 0.00 0.00 55.97 55.15 3k4l s LYS 480 Cb -0.28 -0.48 0.99 0.00 -1.68 0.00 0.00 37.83 36.37 3k4l s LYS 480 CO 0.29 0.06 2.05 1.49 -0.76 0.00 0.00 175.35 178.48 3k4l h GLU 481 N 6.30 0.23 0.00 1.68 4.81 -1.94 -1.87 114.58 123.79 3k4l h GLU 481 Ca -0.31 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3k4l h GLU 481 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3k4l h GLU 481 CO 0.50 0.23 0.00 1.05 -0.73 0.00 0.00 179.01 180.05 3k4l h GLU 482 N 0.23 0.00 -5.75 1.92 9.09 -1.96 -3.33 114.58 114.78 3k4l h GLU 482 Ca 0.06 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.85 3k4l h GLU 482 Cb 0.11 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.10 3k4l h GLU 482 CO -0.00 0.00 0.35 -0.80 0.05 0.00 0.00 179.01 178.60 3k4l s ASN 483 N -5.55 6.53 0.08 3.06 0.01 -0.72 -4.81 114.94 113.54 3k4l s ASN 483 Ca 0.01 0.31 0.06 0.00 -0.71 0.00 0.00 52.86 52.54 3k4l s ASN 483 Cb 0.09 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 3k4l s ASN 483 CO 0.53 -0.72 -0.16 -0.54 -1.51 0.00 0.00 177.10 174.70 3k4l s LYS 484 N 3.05 0.89 -0.21 -0.60 1.02 -0.32 -2.00 119.74 121.56 3k4l s LYS 484 Ca 0.30 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 55.28 3k4l s LYS 484 Cb -0.13 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.23 3k4l s LYS 484 CO 0.17 0.21 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.57 3k4l s LEU 485 N -1.74 2.79 0.34 3.17 2.96 0.22 -0.91 118.68 125.52 3k4l s LEU 485 Ca -0.00 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3k4l s LEU 485 Cb -0.10 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3k4l s LEU 485 CO 0.03 -0.01 0.11 -1.66 -1.32 0.00 0.00 176.35 173.50 3k4l s TRP 486 N 1.39 1.77 -0.06 5.38 1.48 0.30 -4.58 118.94 124.62 3k4l s TRP 486 Ca 0.05 -1.20 0.01 0.00 -1.06 0.00 0.00 56.10 53.90 3k4l s TRP 486 Cb -0.14 -1.10 0.02 0.00 -1.16 0.00 0.00 33.47 31.09 3k4l s TRP 486 CO -0.04 -0.26 -0.07 -0.06 -4.06 0.00 0.00 176.95 172.46 3k4l s PHE 487 N -3.39 1.00 0.41 1.66 0.08 -1.26 0.61 117.98 117.09 3k4l s PHE 487 Ca 0.32 -0.34 -0.27 0.00 0.12 0.00 0.00 56.93 56.76 3k4l s PHE 487 Cb 0.05 -0.83 -0.10 0.00 -0.57 0.00 0.00 43.02 41.58 3k4l s PHE 487 CO 0.15 -0.25 1.46 0.45 -0.10 0.00 0.00 175.22 176.94 3k4l s SER 488 N 0.96 6.12 0.00 1.36 0.15 -0.25 0.09 113.70 122.13 3k4l s SER 488 Ca -0.10 2.99 0.22 0.00 0.70 0.00 0.00 55.95 59.77 3k4l s SER 488 Cb -0.14 -2.66 0.84 0.00 -1.71 0.00 0.00 66.02 62.34 3k4l s SER 488 CO 0.00 -1.02 1.60 -0.90 1.20 0.00 0.00 173.24 174.12 3k4l n ASP 489 N 0.15 1.54 0.00 5.45 5.68 -1.26 -4.09 116.55 124.02 3k4l n ASP 489 Ca 0.03 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3k4l n ASP 489 Cb 0.40 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3k4l n ASP 489 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3k4l n LYS 490 N 0.23 0.71 -3.15 0.11 2.85 -1.26 -5.03 118.16 112.62 3k4l n LYS 490 Ca 0.17 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.04 3k4l n LYS 490 Cb 0.32 -0.63 -0.06 0.00 -0.65 0.00 0.00 35.03 34.01 3k4l n LYS 490 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3k4l s ILE 491 N -1.27 4.64 0.24 0.58 -1.09 -1.26 -5.04 121.20 118.00 3k4l s ILE 491 Ca 0.00 1.40 0.11 0.00 -2.23 0.00 0.00 60.65 59.93 3k4l s ILE 491 Cb 0.00 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3k4l s ILE 491 CO 0.00 0.52 -0.20 0.42 -1.23 0.00 0.00 174.94 174.45 3k4l s THR 492 N -0.93 2.28 0.48 2.92 -4.23 -1.26 -1.26 115.64 113.63 3k4l s THR 492 Ca 0.32 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.56 3k4l s THR 492 Cb -0.21 -2.18 0.10 0.00 1.34 0.00 0.00 72.50 71.55 3k4l s THR 492 CO 0.21 -0.35 0.65 -0.90 -0.54 0.00 0.00 174.62 173.69 3k4l n ASP 493 N -0.29 0.64 0.32 3.99 5.68 0.32 -4.76 116.55 122.44 3k4l n ASP 493 Ca -0.08 -1.59 0.21 0.00 -0.50 0.00 0.00 54.79 52.82 3k4l n ASP 493 Cb 0.59 -0.44 1.04 0.00 -1.14 0.00 0.00 41.12 41.17 3k4l n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4l h ALA 494 N -0.87 1.04 -0.60 2.12 0.00 -1.99 -0.55 119.26 118.41 3k4l h ALA 494 Ca -0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3k4l h ALA 494 Cb 0.73 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3k4l h ALA 494 CO 0.21 0.01 0.04 0.66 0.00 0.00 0.00 179.25 180.16 3k4l n TYR 495 N -3.15 2.15 -2.05 0.00 4.02 -1.26 -4.94 117.16 111.93 3k4l n TYR 495 Ca -0.02 -0.80 -0.20 0.00 -0.01 0.00 0.00 57.90 56.87 3k4l n TYR 495 Cb 0.14 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 38.88 3k4l n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4l n ASN 496 N 0.52 -5.57 -4.86 7.72 4.13 -0.22 -5.00 115.26 111.98 3k4l n ASN 496 Ca 0.30 0.22 -0.24 0.00 1.68 0.00 0.00 54.58 56.53 3k4l n ASN 496 Cb 1.23 -4.77 -0.04 0.00 -1.54 0.00 0.00 39.78 34.66 3k4l n ASN 496 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3k4l s MET 497 N -4.46 3.09 0.18 3.52 -1.94 -1.26 -4.81 119.30 113.63 3k4l s MET 497 Ca 0.00 -0.85 -0.33 0.00 -1.71 0.00 0.00 55.69 52.80 3k4l s MET 497 Cb 0.00 -2.72 -0.14 0.00 2.01 0.00 0.00 34.83 33.98 3k4l s MET 497 CO 0.00 0.46 1.53 -2.30 -0.01 0.00 0.00 175.02 174.70 3k4l n PRO 498 N -0.77 2.13 -2.31 2.03 -0.02 -1.26 -0.52 135.00 134.27 3k4l n PRO 498 Ca -0.08 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 3k4l n PRO 498 Cb 0.56 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3k4l n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4l s GLN 499 N 0.52 4.31 0.38 -0.52 2.00 -0.39 -4.65 119.66 121.31 3k4l s GLN 499 Ca 0.76 1.86 -0.27 0.00 -2.00 0.00 0.00 55.36 55.70 3k4l s GLN 499 Cb -0.67 -3.55 -0.10 0.00 0.80 0.00 0.00 33.01 29.50 3k4l s GLN 499 CO 0.41 -0.52 1.36 -1.25 -0.50 0.00 0.00 175.29 174.80 3k4l s PRO 500 N 2.25 4.09 -0.02 1.67 0.04 -1.26 -1.09 135.00 140.67 3k4l s PRO 500 Ca 0.61 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.95 3k4l s PRO 500 Cb -0.29 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.38 3k4l s PRO 500 CO 0.25 -0.45 0.01 0.99 0.04 0.00 0.00 177.00 177.85 3k4l s THR 501 N -1.18 0.01 0.06 1.26 2.01 0.20 -4.59 115.64 113.40 3k4l s THR 501 Ca 0.54 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.62 3k4l s THR 501 Cb -0.41 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 3k4l s THR 501 CO 0.54 0.08 0.28 -0.36 -0.69 0.00 0.00 174.62 174.47 3k4l s PHE 502 N 0.74 3.53 -0.41 4.92 0.08 -1.26 -0.54 117.98 125.05 3k4l s PHE 502 Ca -0.06 0.48 0.02 0.00 0.12 0.00 0.00 56.93 57.48 3k4l s PHE 502 Cb -0.09 -1.93 0.13 0.00 -0.57 0.00 0.00 43.02 40.55 3k4l s PHE 502 CO -0.02 0.55 0.20 0.34 -0.10 0.00 0.00 175.22 176.19 3k4l s ASP 503 N -2.13 3.81 -0.03 1.36 -1.08 -0.09 -4.62 116.67 113.89 3k4l s ASP 503 Ca 0.33 -2.41 0.02 0.00 -0.52 0.00 0.00 52.55 49.97 3k4l s ASP 503 Cb -0.13 -1.05 0.01 0.00 -1.46 0.00 0.00 42.92 40.29 3k4l s ASP 503 CO 0.22 -0.30 -0.07 0.12 0.52 0.00 0.00 175.17 175.66 3k4l s PHE 504 N 0.62 0.82 0.03 -5.34 2.19 0.06 -1.18 117.98 115.19 3k4l s PHE 504 Ca 0.16 -0.21 0.01 0.00 0.33 0.00 0.00 56.93 57.21 3k4l s PHE 504 Cb -0.23 -0.63 -0.02 0.00 -1.31 0.00 0.00 43.02 40.83 3k4l s PHE 504 CO -0.05 -0.13 -0.05 1.03 1.83 0.00 0.00 175.22 177.85 3k4l s ARG 505 N 0.44 0.41 0.14 10.12 1.81 -1.26 -3.98 118.95 126.63 3k4l s ARG 505 Ca -0.06 -0.65 -0.31 0.00 -1.72 0.00 0.00 55.73 52.99 3k4l s ARG 505 Cb -0.10 -0.10 -0.10 0.00 -0.45 0.00 0.00 34.95 34.19 3k4l s ARG 505 CO 0.00 0.00 1.69 -0.06 -0.68 0.00 0.00 175.30 176.26 3k4l s PHE 506 N -1.33 2.63 0.41 -0.53 0.08 -1.26 -4.92 117.98 113.06 3k4l s PHE 506 Ca -0.12 0.32 -0.25 0.00 0.12 0.00 0.00 56.93 57.00 3k4l s PHE 506 Cb -0.09 -4.05 -0.10 0.00 -0.57 0.00 0.00 43.02 38.21 3k4l s PHE 506 CO -0.00 -4.10 1.12 -2.30 -0.10 0.00 0.00 175.22 169.84 3k4l n PRO 507 N 4.84 1.59 0.24 0.24 -0.02 -1.26 -4.85 135.00 135.77 3k4l n PRO 507 Ca 0.16 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3k4l n PRO 507 Cb 0.38 -2.17 0.50 0.00 -0.02 0.00 0.00 33.50 32.20 3k4l n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4l h ALA 508 N 1.80 1.00 -3.00 3.55 0.00 -1.97 -2.66 119.26 117.97 3k4l h ALA 508 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3k4l h ALA 508 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k4l h ALA 508 CO 0.58 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.41 3k4l n GLY 509 N 0.22 0.89 0.21 0.00 0.00 -1.26 -4.52 105.19 100.73 3k4l n GLY 509 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3k4l n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4l h ARG 510 N 0.00 0.56 -0.50 1.61 2.43 -1.99 -0.82 114.38 115.67 3k4l h ARG 510 Ca 0.00 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3k4l h ARG 510 Cb 0.00 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.36 3k4l h ARG 510 CO 0.00 0.37 0.12 1.15 -1.51 0.00 0.00 179.97 180.10 3k4l h THR 511 N 0.58 0.75 -0.14 0.20 2.02 -1.86 0.66 112.91 115.12 3k4l h THR 511 Ca 0.21 -0.09 -0.18 0.00 0.77 0.00 0.00 66.41 67.11 3k4l h THR 511 Cb 0.05 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3k4l h THR 511 CO -0.11 0.05 -0.63 0.28 0.37 0.00 0.00 175.52 175.48 3k4l h SER 512 N 0.27 0.80 -0.54 4.18 0.02 -1.00 -1.58 113.55 115.69 3k4l h SER 512 Ca 0.25 -0.62 0.04 0.00 -0.84 0.00 0.00 61.79 60.62 3k4l h SER 512 Cb 0.32 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3k4l h SER 512 CO -0.31 1.30 0.30 0.50 -1.14 0.00 0.00 176.83 177.48 3k4l h LYS 513 N 0.37 0.56 -0.39 3.45 3.64 -0.99 -2.25 116.57 120.95 3k4l h LYS 513 Ca -0.04 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3k4l h LYS 513 Cb 1.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3k4l h LYS 513 CO 0.13 0.37 -0.07 0.93 -2.27 0.00 0.00 179.45 178.54 3k4l h GLU 514 N 0.57 0.67 -0.51 1.90 5.08 -0.81 -1.81 114.58 119.67 3k4l h GLU 514 Ca 0.23 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3k4l h GLU 514 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3k4l h GLU 514 CO -0.14 0.74 0.29 0.00 -1.00 0.00 0.00 179.01 178.89 3k4l h ALA 515 N 1.30 0.66 -0.16 3.43 0.00 -0.85 0.21 119.26 123.85 3k4l h ALA 515 Ca 0.11 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3k4l h ALA 515 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k4l h ALA 515 CO 0.03 0.17 -0.71 1.49 0.00 0.00 0.00 179.25 180.23 3k4l h GLU 516 N 0.68 0.70 -0.65 0.00 4.57 -1.30 -1.89 114.58 116.69 3k4l h GLU 516 Ca 0.18 -0.53 0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3k4l h GLU 516 Cb 0.04 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3k4l h GLU 516 CO -0.03 1.15 0.43 -0.44 -1.18 0.00 0.00 179.01 178.94 3k4l h ASP 517 N 0.49 0.74 -0.56 1.04 3.32 -1.06 -1.80 116.42 118.60 3k4l h ASP 517 Ca -0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3k4l h ASP 517 Cb 1.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 3k4l h ASP 517 CO 0.14 0.54 0.33 -0.03 -1.72 0.00 0.00 179.24 178.50 3k4l h MET 518 N 0.88 0.77 -0.15 3.56 4.05 -0.42 -0.32 114.93 123.30 3k4l h MET 518 Ca 0.24 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 3k4l h MET 518 Cb -0.10 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.50 3k4l h MET 518 CO -0.05 0.57 -0.13 1.98 0.23 0.00 0.00 176.91 179.51 3k4l h MET 519 N 0.75 -0.14 -0.93 0.39 1.85 -0.83 -1.03 114.93 114.99 3k4l h MET 519 Ca 0.20 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.33 3k4l h MET 519 Cb 0.01 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.02 3k4l h MET 519 CO -0.04 -0.09 0.62 1.15 -0.40 0.00 0.00 176.91 178.15 3k4l h THR 520 N -0.14 1.19 -0.63 -0.77 2.02 -1.17 -1.53 112.91 111.87 3k4l h THR 520 Ca 0.10 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 3k4l h THR 520 Cb 0.28 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3k4l h THR 520 CO -0.23 0.22 0.15 -0.78 0.37 0.00 0.00 175.52 175.24 3k4l h ASP 521 N 1.21 0.93 -0.44 4.18 3.58 -0.37 -0.34 116.42 125.18 3k4l h ASP 521 Ca 0.36 -0.19 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 3k4l h ASP 521 Cb -0.04 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3k4l h ASP 521 CO -0.10 0.90 -0.19 -0.03 -2.88 0.00 0.00 179.24 176.94 3k4l h MET 522 N 0.94 0.94 -0.56 0.28 4.05 -0.61 0.40 114.93 120.37 3k4l h MET 522 Ca 0.20 -0.38 -0.04 0.00 -0.28 0.00 0.00 59.70 59.20 3k4l h MET 522 Cb 0.34 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 3k4l h MET 522 CO 0.00 1.04 0.20 0.00 0.23 0.00 0.00 176.91 178.38 3k4l h VAL 524 N 0.77 1.24 -0.29 0.00 2.07 -0.88 -3.03 116.25 116.14 3k4l h VAL 524 Ca 0.18 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 3k4l h VAL 524 Cb 0.24 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3k4l h VAL 524 CO -0.01 0.23 -0.24 -0.03 0.02 0.00 0.00 177.57 177.54 3k4l h MET 525 N 0.04 0.67 -0.64 1.57 -1.53 -0.89 -3.18 114.93 110.97 3k4l h MET 525 Ca 0.05 -0.34 -0.04 0.00 -3.44 0.00 0.00 59.70 55.93 3k4l h MET 525 Cb 0.34 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.37 3k4l h MET 525 CO 0.01 0.94 0.25 0.66 0.14 0.00 0.00 176.91 178.91 3k4l h SER 526 N 0.41 0.87 0.00 1.39 4.64 -1.26 -1.59 113.55 118.01 3k4l h SER 526 Ca 0.05 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3k4l h SER 526 Cb 0.80 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3k4l h SER 526 CO 0.06 0.78 0.07 0.00 -0.87 0.00 0.00 176.83 176.87 3k4l h ALA 527 N 1.34 1.06 0.00 5.18 0.00 -1.50 -1.40 119.26 123.94 3k4l h ALA 527 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3k4l h ALA 527 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k4l h ALA 527 CO -0.02 -0.06 -0.05 0.87 0.00 0.00 0.00 179.25 179.99 3k4l h LYS 528 N 0.00 0.00 0.00 0.00 1.57 -1.40 -3.31 116.57 113.44 3k4l h LYS 528 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 3k4l h LYS 528 Cb 0.13 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 3k4l h LYS 528 CO 0.00 0.05 -2.46 -0.89 -0.57 0.00 0.00 179.45 175.58 3k4l n ILE 529 N -3.12 1.48 0.00 1.86 2.08 -0.58 -4.98 119.36 116.10 3k4l n ILE 529 Ca 0.03 -0.62 0.00 0.00 0.56 0.00 0.00 62.75 62.72 3k4l n ILE 529 Cb 0.48 -1.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.09 3k4l n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4l n GLY 530 N 2.18 0.27 3.79 7.39 0.00 -0.91 -1.21 105.19 116.71 3k4l n GLY 530 Ca -0.44 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3k4l n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4l s GLY 531 N 0.00 1.64 0.55 -0.02 0.00 -1.22 -3.94 107.32 104.33 3k4l s GLY 531 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 3k4l s GLY 531 CO 0.00 0.34 1.20 -1.36 0.00 0.00 0.00 173.10 173.28 3k4l s PHE 532 N -3.06 2.52 -0.21 1.90 0.08 -1.26 -1.03 117.98 116.92 3k4l s PHE 532 Ca 0.61 1.51 -0.28 0.00 0.12 0.00 0.00 56.93 58.88 3k4l s PHE 532 Cb -0.15 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 3k4l s PHE 532 CO 0.55 -2.03 0.99 -1.17 -0.10 0.00 0.00 175.22 173.46 3k4l s LEU 533 N -3.77 4.13 0.27 -0.37 2.96 0.83 -4.67 118.68 118.06 3k4l s LEU 533 Ca 0.73 1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 55.69 3k4l s LEU 533 Cb -0.30 -3.48 -0.13 0.00 0.50 0.00 0.00 46.19 42.78 3k4l s LEU 533 CO 0.34 -0.60 1.36 -2.65 -1.32 0.00 0.00 176.35 173.48 3k4l n PRO 534 N 5.99 2.05 -0.30 0.98 -0.02 -1.26 -0.75 135.00 141.70 3k4l n PRO 534 Ca 0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3k4l n PRO 534 Cb 0.47 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3k4l n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4l n GLY 535 N 1.69 1.85 2.53 -1.23 0.00 -1.26 -4.87 105.19 103.89 3k4l n GLY 535 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3k4l n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4l n SER 536 N 0.00 2.09 -4.85 1.61 7.64 0.08 -5.06 113.62 115.12 3k4l n SER 536 Ca 0.00 -3.05 -0.31 0.00 1.01 0.00 0.00 58.87 56.52 3k4l n SER 536 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3k4l n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4l s LEU 537 N -3.03 3.35 0.10 -3.43 1.43 -1.24 -1.32 118.68 114.53 3k4l s LEU 537 Ca 0.36 1.51 -0.34 0.00 -1.03 0.00 0.00 54.13 54.63 3k4l s LEU 537 Cb 0.40 -4.49 -0.13 0.00 0.03 0.00 0.00 46.19 42.01 3k4l s LEU 537 CO -0.05 -0.86 1.68 -0.81 0.23 0.00 0.00 176.35 176.54 3k4l n PRO 538 N -2.41 2.23 -3.58 1.29 -0.04 -1.26 -4.60 135.00 126.63 3k4l n PRO 538 Ca 0.06 0.81 -0.15 0.00 -0.04 0.00 0.00 63.50 64.18 3k4l n PRO 538 Cb 0.54 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 3k4l n PRO 538 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3k4l s GLN 539 N 1.88 0.99 0.19 0.54 -2.07 -0.80 -4.99 119.66 115.39 3k4l s GLN 539 Ca 0.82 -0.08 -0.26 0.00 -1.82 0.00 0.00 55.36 54.02 3k4l s GLN 539 Cb -0.66 0.46 -0.08 0.00 -1.09 0.00 0.00 33.01 31.63 3k4l s GLN 539 CO 0.41 -0.33 0.82 -0.06 -1.32 0.00 0.00 175.29 174.80 3k4l s PHE 540 N -1.92 3.92 0.44 9.60 0.08 -1.26 -1.12 117.98 127.72 3k4l s PHE 540 Ca -0.08 1.70 -0.04 0.00 0.12 0.00 0.00 56.93 58.63 3k4l s PHE 540 Cb -0.01 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 3k4l s PHE 540 CO 0.03 0.49 0.72 -1.64 -0.10 0.00 0.00 175.22 174.71 3k4l s MET 541 N -1.20 3.52 0.40 0.44 -1.94 0.09 -4.96 119.30 115.64 3k4l s MET 541 Ca 0.38 0.04 -0.26 0.00 -1.71 0.00 0.00 55.69 54.14 3k4l s MET 541 Cb -0.24 -2.46 -0.11 0.00 2.01 0.00 0.00 34.83 34.04 3k4l s MET 541 CO 0.27 -0.11 1.17 0.39 -0.01 0.00 0.00 175.02 176.73 3k4l n GLU 542 N -2.13 1.72 -1.68 2.03 4.71 -1.26 -4.76 120.64 119.27 3k4l n GLU 542 Ca -0.01 0.61 -0.44 0.00 -0.01 0.00 0.00 57.16 57.31 3k4l n GLU 542 Cb 0.55 -2.22 -0.03 0.00 -1.01 0.00 0.00 31.44 28.73 3k4l n GLU 542 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3k4l n PRO 543 N 0.20 2.66 0.00 3.49 -0.02 -1.26 -1.44 135.00 138.63 3k4l n PRO 543 Ca 0.07 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3k4l n PRO 543 Cb 0.38 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 3k4l n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4l n GLY 544 N 4.27 1.68 0.31 -1.23 0.00 -1.26 -0.16 105.19 108.81 3k4l n GLY 544 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.37 3k4l n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4l h LEU 545 N 0.00 0.00 -1.60 0.99 5.85 -1.34 -1.65 115.31 117.56 3k4l h LEU 545 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k4l h LEU 545 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3k4l h LEU 545 CO 0.00 0.00 -0.17 1.62 -0.34 0.00 0.00 178.44 179.55 3k4l h VAL 546 N 0.00 0.57 -5.95 1.05 3.04 -1.88 -3.47 116.25 109.61 3k4l h VAL 546 Ca 0.02 -0.78 -0.40 0.00 -1.01 0.00 0.00 66.70 64.53 3k4l h VAL 546 Cb 0.14 1.51 0.09 0.00 -2.01 0.00 0.00 31.29 31.03 3k4l h VAL 546 CO -0.00 0.16 -0.76 0.18 -1.01 0.00 0.00 177.57 176.15 3k4l n LEU 547 N -3.54 -3.32 -1.45 3.16 4.77 -0.63 -4.90 117.00 111.09 3k4l n LEU 547 Ca -0.01 -0.68 -0.08 0.00 -0.03 0.00 0.00 56.01 55.21 3k4l n LEU 547 Cb 0.31 -2.87 0.10 0.00 -2.33 0.00 0.00 43.42 38.64 3k4l n LEU 547 CO 0.31 0.49 0.23 1.41 -1.33 0.00 0.00 177.39 178.50 3k4l n HIS 548 N -4.54 1.33 -1.86 -1.77 8.25 -1.26 -5.03 115.22 110.34 3k4l n HIS 548 Ca -0.14 -1.81 -0.41 0.00 -0.26 0.00 0.00 57.72 55.10 3k4l n HIS 548 Cb 0.61 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 3k4l n HIS 548 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k4l s LEU 549 N -3.24 4.35 0.20 2.41 2.96 -1.26 -4.58 118.68 119.52 3k4l s LEU 549 Ca 0.43 2.89 -0.01 0.00 -0.22 0.00 0.00 54.13 57.23 3k4l s LEU 549 Cb 0.39 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3k4l s LEU 549 CO -0.02 -0.83 0.13 -0.83 -1.32 0.00 0.00 176.35 173.47 3k4l s GLY 550 N 0.26 1.46 0.00 7.98 0.00 0.28 -4.24 107.32 113.06 3k4l s GLY 550 Ca 0.59 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3k4l s GLY 550 CO 0.51 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.80 3k4l n GLY 551 N -0.28 0.51 0.26 0.20 0.00 -0.73 -1.47 105.19 103.68 3k4l n GLY 551 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 3k4l n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4l h THR 552 N 0.00 0.06 -1.25 2.61 1.35 -1.71 -3.32 112.91 110.64 3k4l h THR 552 Ca 0.00 -0.66 -0.40 0.00 -0.55 0.00 0.00 66.41 64.79 3k4l h THR 552 Cb 0.12 1.63 -0.30 0.00 -1.73 0.00 0.00 68.15 67.86 3k4l h THR 552 CO 0.00 0.02 -0.90 0.00 -0.25 0.00 0.00 175.52 174.39 3k4l n HIS 553 N -3.12 -1.14 -2.31 4.73 1.44 -0.55 -0.38 115.22 113.89 3k4l n HIS 553 Ca 0.01 -3.09 -0.33 0.00 -2.01 0.00 0.00 57.72 52.30 3k4l n HIS 553 Cb 0.36 0.36 -0.01 0.00 0.12 0.00 0.00 29.99 30.81 3k4l n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4l s ARG 554 N -1.10 3.59 0.21 -1.40 1.70 -1.13 -3.97 118.95 116.84 3k4l s ARG 554 Ca 0.33 1.28 -0.18 0.00 -0.47 0.00 0.00 55.73 56.70 3k4l s ARG 554 Cb 0.28 -2.07 -0.08 0.00 -0.57 0.00 0.00 34.95 32.52 3k4l s ARG 554 CO -0.10 -0.60 0.68 1.41 -1.08 0.00 0.00 175.30 175.61 3k4l s MET 555 N -3.64 4.16 0.29 3.89 -2.45 0.09 0.28 119.30 121.91 3k4l s MET 555 Ca 0.65 0.75 -0.19 0.00 -1.25 0.00 0.00 55.69 55.65 3k4l s MET 555 Cb -0.16 -2.86 0.06 0.00 1.25 0.00 0.00 34.83 33.12 3k4l s MET 555 CO 0.28 0.40 0.87 0.20 1.05 0.00 0.00 175.02 177.82 3k4l s GLY 556 N -1.72 0.18 0.04 2.11 0.00 -0.16 -4.59 107.32 103.18 3k4l s GLY 556 Ca 0.42 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.53 3k4l s GLY 556 CO 0.20 0.54 1.02 0.74 0.00 0.00 0.00 173.10 175.60 3k4l h PHE 557 N 2.00 0.83 -3.21 1.90 0.04 -1.93 -3.34 116.94 113.23 3k4l h PHE 557 Ca -0.28 -0.61 -0.52 0.00 2.80 0.00 0.00 57.97 59.35 3k4l h PHE 557 Cb 1.24 -0.03 -0.36 0.00 2.20 0.00 0.00 35.95 38.99 3k4l h PHE 557 CO 1.16 1.49 -0.80 0.34 -0.60 0.00 0.00 178.31 179.90 3k4l s ASP 558 N -7.44 2.11 0.23 2.17 2.15 -1.26 -4.94 116.67 109.69 3k4l s ASP 558 Ca -0.08 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.54 3k4l s ASP 558 Cb 0.05 -0.83 0.37 0.00 -0.30 0.00 0.00 42.92 42.21 3k4l s ASP 558 CO 0.92 -0.10 1.76 -0.08 -0.17 0.00 0.00 175.17 177.51 3k4l h GLU 559 N 8.02 0.53 0.01 4.34 4.81 -1.88 -0.43 114.58 129.98 3k4l h GLU 559 Ca -0.30 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3k4l h GLU 559 Cb 1.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3k4l h GLU 559 CO 0.42 0.35 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.82 3k4l h LYS 560 N 0.55 -0.01 -0.56 1.92 3.64 -1.96 -2.03 116.57 118.13 3k4l h LYS 560 Ca 0.37 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3k4l h LYS 560 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3k4l h LYS 560 CO -0.31 0.63 0.06 1.49 -2.27 0.00 0.00 179.45 179.05 3k4l h GLU 561 N -0.98 0.91 -0.66 1.90 4.81 -1.97 -2.83 114.58 115.76 3k4l h GLU 561 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3k4l h GLU 561 Cb 0.65 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3k4l h GLU 561 CO 0.00 0.87 0.00 -0.25 -0.73 0.00 0.00 179.01 178.90 3k4l n ASP 562 N -4.22 3.91 -3.75 1.04 8.00 -0.18 -5.00 116.55 116.35 3k4l n ASP 562 Ca 0.03 -2.07 -0.34 0.00 0.71 0.00 0.00 54.79 53.12 3k4l n ASP 562 Cb 0.29 -0.46 0.04 0.00 -0.02 0.00 0.00 41.12 40.96 3k4l n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4l n ASN 563 N 1.38 -5.15 -3.61 -2.24 5.03 -1.06 -4.84 115.26 104.78 3k4l n ASN 563 Ca 0.23 -1.06 -0.16 0.00 0.87 0.00 0.00 54.58 54.45 3k4l n ASN 563 Cb 0.63 -3.03 -0.08 0.00 -1.02 0.00 0.00 39.78 36.28 3k4l n ASN 563 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k4l s VAL 566 N -2.01 1.81 0.12 0.00 -7.23 -0.94 -2.43 120.40 109.73 3k4l s VAL 566 Ca -0.00 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3k4l s VAL 566 Cb 0.00 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.27 3k4l s VAL 566 CO 0.01 -0.13 0.17 -0.46 -0.31 0.00 0.00 175.10 174.38 3k4l n ASN 567 N 0.80 0.12 0.00 4.85 0.23 -0.76 -0.99 115.26 119.51 3k4l n ASN 567 Ca -0.17 -1.13 0.13 0.00 -0.53 0.00 0.00 54.58 52.88 3k4l n ASN 567 Cb 0.55 -0.12 0.72 0.00 -2.08 0.00 0.00 39.78 38.84 3k4l n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4l n THR 568 N -1.89 0.07 -0.47 5.53 -2.24 -1.25 -0.74 114.28 113.29 3k4l n THR 568 Ca 0.02 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 3k4l n THR 568 Cb 0.09 -0.61 0.34 0.00 -2.10 0.00 0.00 70.33 68.04 3k4l n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4l n ASP 569 N -1.10 4.48 -2.40 3.42 8.00 -1.26 -4.69 116.55 123.00 3k4l n ASP 569 Ca 0.17 -2.36 -0.15 0.00 0.71 0.00 0.00 54.79 53.15 3k4l n ASP 569 Cb 0.13 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 3k4l n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4l n SER 570 N 1.16 -4.52 -4.77 -2.24 7.64 0.08 -4.21 113.62 106.76 3k4l n SER 570 Ca 0.25 0.14 -0.37 0.00 1.01 0.00 0.00 58.87 59.90 3k4l n SER 570 Cb 0.82 -3.82 -0.07 0.00 -1.01 0.00 0.00 64.21 60.14 3k4l n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4l s ARG 571 N -4.99 4.04 0.06 1.43 3.52 -1.26 -1.58 118.95 120.17 3k4l s ARG 571 Ca 0.00 0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.35 3k4l s ARG 571 Cb 0.00 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.97 3k4l s ARG 571 CO 0.00 0.42 1.56 0.08 -0.81 0.00 0.00 175.30 176.55 3k4l s VAL 572 N -0.07 3.19 0.28 7.11 1.01 -0.25 -1.83 120.40 129.84 3k4l s VAL 572 Ca 0.16 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3k4l s VAL 572 Cb -0.13 -3.43 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 3k4l s VAL 572 CO 0.05 0.01 1.31 0.49 0.00 0.00 0.00 175.10 176.95 3k4l n PHE 573 N 5.27 2.07 0.00 5.22 3.72 -1.02 -1.25 117.46 131.47 3k4l n PHE 573 Ca 0.15 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 58.06 3k4l n PHE 573 Cb 0.41 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.54 3k4l n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4l n GLY 574 N 1.54 3.24 3.51 1.37 0.00 -1.26 -5.01 105.19 108.59 3k4l n GLY 574 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3k4l n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4l s PHE 575 N -2.01 2.95 0.19 1.61 0.40 -0.38 -4.02 117.98 116.71 3k4l s PHE 575 Ca 0.00 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 3k4l s PHE 575 Cb 0.00 -1.83 0.08 0.00 0.51 0.00 0.00 43.02 41.78 3k4l s PHE 575 CO 0.00 0.10 1.44 -0.22 0.70 0.00 0.00 175.22 177.24 3k4l h LYS 576 N 6.07 0.27 0.00 0.44 3.64 -1.33 -3.39 116.57 122.27 3k4l h LYS 576 Ca -0.38 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 58.70 3k4l h LYS 576 Cb 1.19 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.94 3k4l h LYS 576 CO 0.57 0.91 -0.58 0.27 -2.27 0.00 0.00 179.45 178.35 3k4l n ASN 577 N -3.77 1.01 -4.12 4.20 6.94 -1.26 -5.03 115.26 113.23 3k4l n ASN 577 Ca -0.04 -2.50 -0.31 0.00 -0.02 0.00 0.00 54.58 51.71 3k4l n ASN 577 Cb 0.73 -0.33 -0.17 0.00 -2.36 0.00 0.00 39.78 37.66 3k4l n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4l s LEU 578 N -1.03 1.96 0.03 -4.53 2.96 -1.26 -1.34 118.68 115.47 3k4l s LEU 578 Ca 0.23 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3k4l s LEU 578 Cb 0.23 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3k4l s LEU 578 CO -0.06 0.05 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.50 3k4l s PHE 579 N 0.91 1.42 -0.03 5.38 0.40 -0.55 -1.09 117.98 124.41 3k4l s PHE 579 Ca -0.06 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 3k4l s PHE 579 Cb -0.15 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 3k4l s PHE 579 CO -0.02 0.04 -0.23 -0.51 0.70 0.00 0.00 175.22 175.20 3k4l s LEU 580 N -1.02 2.20 0.11 -0.37 1.43 -0.62 -1.29 118.68 119.13 3k4l s LEU 580 Ca 0.04 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 3k4l s LEU 580 Cb -0.08 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3k4l s LEU 580 CO 0.01 0.31 -0.24 -0.83 0.23 0.00 0.00 176.35 175.83 3k4l s GLY 581 N -0.54 1.39 0.00 -3.19 0.00 -0.35 -4.80 107.32 99.82 3k4l s GLY 581 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.46 3k4l s GLY 581 CO 0.00 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.38 3k4l n GLY 582 N 1.04 1.25 0.27 0.20 0.00 -1.26 -4.41 105.19 102.28 3k4l n GLY 582 Ca -0.19 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 43.84 3k4l n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4l h GLY 584 N 0.78 0.00 2.00 0.00 0.00 -1.89 -0.28 103.07 103.67 3k4l h GLY 584 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3k4l h GLY 584 CO 0.01 0.00 -0.23 3.43 0.00 0.00 0.00 176.54 179.75 3k4l h ASN 585 N 0.00 0.00 -2.95 0.19 2.35 -1.46 -1.36 115.58 112.35 3k4l h ASN 585 Ca 0.06 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.25 3k4l h ASN 585 Cb 0.48 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 3k4l h ASN 585 CO -0.00 0.23 0.99 -0.63 -1.65 0.00 0.00 177.43 176.37 3k4l s ILE 586 N -3.88 4.06 -1.67 2.81 1.01 -0.12 -0.73 121.20 122.67 3k4l s ILE 586 Ca -0.01 1.23 0.24 0.00 0.00 0.00 0.00 60.65 62.11 3k4l s ILE 586 Cb 0.12 -3.96 0.09 0.00 0.01 0.00 0.00 42.46 38.71 3k4l s ILE 586 CO 0.64 -0.30 1.31 -0.81 0.00 0.00 0.00 174.94 175.78 3k4l n PRO 587 N 7.14 0.76 -2.70 2.79 -0.04 -1.26 -1.77 135.00 139.93 3k4l n PRO 587 Ca 0.15 -0.54 -0.21 0.00 -0.04 0.00 0.00 63.50 62.86 3k4l n PRO 587 Cb 0.45 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.48 3k4l n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4l s THR 588 N -2.61 2.48 -0.34 0.52 -4.23 -1.26 -4.77 115.64 105.42 3k4l s THR 588 Ca 0.19 -0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 59.76 3k4l s THR 588 Cb 0.18 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3k4l s THR 588 CO 0.60 0.00 0.76 0.00 -0.54 0.00 0.00 174.62 175.44 3k4l s ALA 589 N -2.83 3.48 0.05 3.99 0.00 -1.26 -4.82 121.76 120.37 3k4l s ALA 589 Ca 0.60 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.02 3k4l s ALA 589 Cb -0.08 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3k4l s ALA 589 CO 0.40 -1.33 -0.11 1.52 0.00 0.00 0.00 175.76 176.23 3k4l s TYR 590 N 2.98 0.96 -0.08 0.00 1.13 -1.26 -4.59 117.35 116.50 3k4l s TYR 590 Ca 0.31 -0.43 0.12 0.00 -1.41 0.00 0.00 57.07 55.65 3k4l s TYR 590 Cb -0.14 -0.56 -0.17 0.00 -1.10 0.00 0.00 41.96 39.99 3k4l s TYR 590 CO 0.15 -0.00 0.14 0.41 -2.51 0.00 0.00 175.55 173.74 3k4l n GLY 591 N 1.58 -0.59 3.75 5.49 0.00 -1.26 -4.12 105.19 110.04 3k4l n GLY 591 Ca -0.21 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3k4l n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4l s ALA 592 N -2.54 1.87 0.09 4.61 0.00 -1.26 -4.34 121.76 120.19 3k4l s ALA 592 Ca -0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 3k4l s ALA 592 Cb 0.06 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 3k4l s ALA 592 CO 0.51 -2.06 1.29 -0.80 0.00 0.00 0.00 175.76 174.69 3k4l s ASN 593 N -3.59 6.96 0.41 0.00 -0.87 -1.26 -4.91 114.94 111.67 3k4l s ASN 593 Ca 0.62 2.17 0.23 0.00 -1.57 0.00 0.00 52.86 54.31 3k4l s ASN 593 Cb -0.17 -2.58 0.37 0.00 -0.02 0.00 0.00 41.25 38.86 3k4l s ASN 593 CO 0.56 -0.56 1.61 1.55 -2.57 0.00 0.00 177.10 177.69 3k4l h PRO 594 N 6.80 0.00 -0.78 -0.60 0.13 -1.92 -3.40 132.00 132.23 3k4l h PRO 594 Ca -0.42 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.80 3k4l h PRO 594 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 3k4l h PRO 594 CO 0.84 0.00 0.44 1.15 -0.23 0.00 0.00 178.00 180.20 3k4l h THR 595 N 0.00 0.92 -0.84 1.56 2.02 -1.91 -1.04 112.91 113.62 3k4l h THR 595 Ca 0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3k4l h THR 595 Cb 0.98 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3k4l h THR 595 CO 0.00 0.14 0.50 0.25 0.37 0.00 0.00 175.52 176.78 3k4l h LEU 596 N 0.76 1.01 -0.23 2.58 5.85 -1.86 0.30 115.31 123.72 3k4l h LEU 596 Ca 0.37 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 3k4l h LEU 596 Cb 0.31 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3k4l h LEU 596 CO -0.23 0.78 -0.02 0.74 -0.34 0.00 0.00 178.44 179.37 3k4l h THR 597 N 1.16 1.27 -0.81 1.05 2.02 -1.59 -0.81 112.91 115.21 3k4l h THR 597 Ca 0.30 -0.96 0.11 0.00 0.77 0.00 0.00 66.41 66.63 3k4l h THR 597 Cb -0.04 1.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 3k4l h THR 597 CO -0.06 0.30 0.43 0.00 0.37 0.00 0.00 175.52 176.56 3k4l h ALA 598 N 0.78 1.17 -0.54 6.16 0.00 -0.72 -1.75 119.26 124.35 3k4l h ALA 598 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3k4l h ALA 598 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k4l h ALA 598 CO 0.02 -0.01 -0.01 1.98 0.00 0.00 0.00 179.25 181.23 3k4l h MET 599 N 0.68 0.96 -0.57 0.00 -1.53 -0.60 -1.45 114.93 112.41 3k4l h MET 599 Ca 0.41 -0.31 0.05 0.00 -3.44 0.00 0.00 59.70 56.42 3k4l h MET 599 Cb 0.47 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.39 3k4l h MET 599 CO -0.30 0.97 0.30 0.77 0.14 0.00 0.00 176.91 178.79 3k4l h SER 600 N 0.84 0.42 -0.75 1.39 0.02 -0.63 -0.76 113.55 114.08 3k4l h SER 600 Ca 0.15 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3k4l h SER 600 Cb 0.54 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3k4l h SER 600 CO 0.03 0.28 0.47 -0.07 -1.14 0.00 0.00 176.83 176.40 3k4l h LEU 601 N 0.56 0.89 -1.14 5.07 3.38 -1.21 -2.63 115.31 120.23 3k4l h LEU 601 Ca 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3k4l h LEU 601 Cb 0.17 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3k4l h LEU 601 CO -0.18 0.67 0.45 0.00 0.09 0.00 0.00 178.44 179.47 3k4l h ALA 602 N 1.25 1.35 -0.79 1.53 0.00 -0.09 -1.15 119.26 121.36 3k4l h ALA 602 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3k4l h ALA 602 Cb -0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3k4l h ALA 602 CO -0.05 0.55 0.43 0.82 0.00 0.00 0.00 179.25 181.00 3k4l h ILE 603 N 1.06 1.24 -0.51 0.00 2.04 -0.93 -0.35 117.51 120.06 3k4l h ILE 603 Ca 0.27 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3k4l h ILE 603 Cb -0.03 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3k4l h ILE 603 CO -0.05 0.26 0.02 0.50 0.00 0.00 0.00 178.15 178.88 3k4l h LYS 604 N 1.10 0.89 -0.39 2.37 3.64 -1.01 -1.15 116.57 122.01 3k4l h LYS 604 Ca 0.28 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3k4l h LYS 604 Cb 0.03 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3k4l h LYS 604 CO -0.04 0.91 0.17 1.03 -2.27 0.00 0.00 179.45 179.25 3k4l h SER 605 N 0.76 0.22 -0.81 4.20 0.87 -0.97 -1.87 113.55 115.95 3k4l h SER 605 Ca 0.15 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3k4l h SER 605 Cb 0.50 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 3k4l h SER 605 CO 0.02 0.17 0.53 0.00 -0.53 0.00 0.00 176.83 177.02 3k4l h GLU 607 N 1.01 0.51 -0.56 0.00 5.08 -0.40 -0.74 114.58 119.48 3k4l h GLU 607 Ca 0.32 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 3k4l h GLU 607 Cb 0.03 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 3k4l h GLU 607 CO -0.09 0.34 0.23 -0.92 -1.00 0.00 0.00 179.01 177.57 3k4l h TYR 608 N 0.53 0.41 -0.13 4.33 5.03 -1.05 -1.57 116.97 124.52 3k4l h TYR 608 Ca 0.16 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 3k4l h TYR 608 Cb -0.03 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 3k4l h TYR 608 CO -0.06 0.15 0.05 0.82 -1.32 0.00 0.00 178.16 177.80 3k4l h ILE 609 N 0.44 1.16 -0.84 1.81 2.04 -0.90 -1.94 117.51 119.27 3k4l h ILE 609 Ca 0.27 -0.47 0.19 0.00 1.00 0.00 0.00 64.86 65.85 3k4l h ILE 609 Cb 0.28 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3k4l h ILE 609 CO -0.25 0.14 0.56 0.11 0.00 0.00 0.00 178.15 178.72 3k4l h LYS 610 N 0.05 0.33 0.00 2.37 1.57 -0.90 -1.08 116.57 118.90 3k4l h LYS 610 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3k4l h LYS 610 Cb 0.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3k4l h LYS 610 CO -0.00 0.22 -0.35 1.04 -0.57 0.00 0.00 179.45 179.78 3k4l n GLN 611 N -4.47 0.03 0.00 3.15 6.02 -0.61 -4.35 117.38 117.15 3k4l n GLN 611 Ca 0.17 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3k4l n GLN 611 Cb 0.67 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.41 3k4l n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4l n ASN 612 N -1.57 0.38 -3.99 1.08 3.02 -0.65 -5.04 115.26 108.50 3k4l n ASN 612 Ca 0.06 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.68 3k4l n ASN 612 Cb 0.35 0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.54 3k4l n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4l s PHE 613 N -0.16 0.49 -0.18 3.10 0.08 -0.50 -5.06 117.98 115.74 3k4l s PHE 613 Ca 0.00 -0.23 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 3k4l s PHE 613 Cb 0.00 -0.31 -0.03 0.00 -0.57 0.00 0.00 43.02 42.11 3k4l s PHE 613 CO 0.00 -0.04 0.02 0.99 -0.10 0.00 0.00 175.22 176.09 3k4l s THR 614 N -0.57 4.30 0.65 0.64 2.01 -1.26 -4.72 115.64 116.69 3k4l s THR 614 Ca -0.03 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 3k4l s THR 614 Cb -0.05 -2.93 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 3k4l s THR 614 CO -0.00 0.45 1.19 -2.84 -0.69 0.00 0.00 174.62 172.73 3k4l s PRO 615 N 0.59 2.66 0.49 4.92 0.02 -1.26 -4.97 135.00 137.44 3k4l s PRO 615 Ca 0.00 1.73 -0.21 0.00 0.02 0.00 0.00 61.00 62.54 3k4l s PRO 615 Cb -0.14 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 3k4l s PRO 615 CO 0.02 -1.43 1.12 -1.54 -0.33 0.00 0.00 177.00 174.85 3k4l s SER 616 N -1.91 6.06 0.35 2.53 1.04 -1.26 -4.97 113.70 115.53 3k4l s SER 616 Ca 0.75 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 59.07 3k4l s SER 616 Cb -0.28 -2.59 -0.11 0.00 0.10 0.00 0.00 66.02 63.14 3k4l s SER 616 CO 0.39 -0.98 1.54 -0.81 0.98 0.00 0.00 173.24 174.36 3k4l n PRO 617 N -0.84 2.72 0.00 4.02 -0.04 -1.26 -4.87 135.00 134.73 3k4l n PRO 617 Ca 0.09 0.96 0.14 0.00 -0.04 0.00 0.00 63.50 64.65 3k4l n PRO 617 Cb 0.50 -2.72 0.54 0.00 -0.04 0.00 0.00 33.50 31.78 3k4l n PRO 617 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80