#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 1.39 -0.02 5.64 1.51 -0.75 -5.02 117.35 120.11 3k4l s TYR 47 Ca 0.00 -0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 55.06 3k4l s TYR 47 Cb 0.00 -0.72 -0.21 0.00 -0.11 0.00 0.00 41.96 40.92 3k4l s TYR 47 CO 0.00 0.09 1.14 -0.44 -1.11 0.00 0.00 175.55 175.23 3k4l h ASP 48 N 2.68 0.30 -3.69 2.29 3.32 -1.45 -2.80 116.42 117.07 3k4l h ASP 48 Ca -0.37 -0.67 -0.46 0.00 0.02 0.00 0.00 57.03 55.55 3k4l h ASP 48 Cb 1.20 -0.09 -0.32 0.00 0.22 0.00 0.00 39.33 40.34 3k4l h ASP 48 CO 0.64 0.92 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.59 3k4l s VAL 49 N -3.54 0.90 -0.10 -1.35 1.01 -0.96 -1.04 120.40 115.31 3k4l s VAL 49 Ca -0.15 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3k4l s VAL 49 Cb 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3k4l s VAL 49 CO 0.75 0.29 -0.13 0.68 0.00 0.00 0.00 175.10 176.69 3k4l s VAL 50 N 0.38 3.14 -0.13 2.92 -7.23 -0.43 -1.56 120.40 117.49 3k4l s VAL 50 Ca -0.07 -0.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 3k4l s VAL 50 Cb -0.11 -2.29 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 3k4l s VAL 50 CO 0.01 0.55 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.54 3k4l s ILE 51 N -0.12 2.44 -0.42 -0.62 1.01 0.35 -1.16 121.20 122.69 3k4l s ILE 51 Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 3k4l s ILE 51 Cb -0.14 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3k4l s ILE 51 CO 0.03 0.54 0.33 -0.69 0.00 0.00 0.00 174.94 175.16 3k4l s VAL 52 N 0.58 5.22 0.00 2.92 1.01 -0.21 -0.78 120.40 129.14 3k4l s VAL 52 Ca -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3k4l s VAL 52 Cb -0.16 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3k4l s VAL 52 CO 0.04 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3k4l n GLY 53 N 5.15 2.73 1.18 4.51 0.00 0.25 -0.54 105.19 118.48 3k4l n GLY 53 Ca -0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 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 3.02 -2.51 1.61 3.41 -1.26 -4.37 113.62 113.52 3k4l n SER 54 Ca 0.00 -3.53 -0.03 0.00 -0.26 0.00 0.00 58.87 55.05 3k4l n SER 54 Cb 0.00 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 63.34 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 -0.94 -2.20 0.23 5.00 0.00 -1.26 -2.31 105.19 103.71 3k4l n GLY 55 Ca 0.32 -1.50 0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 0.01 1.61 0.13 -1.92 -0.65 132.00 131.17 3k4l h PRO 56 Ca -0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 3k4l h PRO 56 Cb 0.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.25 3k4l h PRO 56 CO 0.03 0.21 -0.43 0.82 -0.23 0.00 0.00 178.00 178.40 3k4l h ILE 57 N 0.00 1.50 -0.98 -3.56 1.08 -1.91 -1.92 117.51 111.71 3k4l h ILE 57 Ca -0.00 -2.05 0.11 0.00 -0.39 0.00 0.00 64.86 62.53 3k4l h ILE 57 Cb 0.42 2.73 -0.08 0.00 -3.07 0.00 0.00 36.82 36.83 3k4l h ILE 57 CO 0.03 0.58 0.63 1.23 -0.69 0.00 0.00 178.15 179.92 3k4l h GLY 58 N -0.33 1.56 2.00 5.37 0.00 -1.72 -0.77 103.07 109.18 3k4l h GLY 58 Ca -0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3k4l h GLY 58 CO 0.08 0.18 -0.22 0.00 0.00 0.00 0.00 176.54 176.59 3k4l h THR 60 N 0.00 1.28 -0.56 0.00 2.02 -0.32 0.10 112.91 115.44 3k4l h THR 60 Ca -0.00 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.15 3k4l h THR 60 Cb 0.66 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3k4l h THR 60 CO 0.03 0.32 0.36 1.88 0.37 0.00 0.00 175.52 178.48 3k4l h TYR 61 N 0.20 0.68 -0.34 3.16 0.05 -0.95 -1.37 116.97 118.40 3k4l h TYR 61 Ca 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 3k4l h TYR 61 Cb 0.50 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3k4l h TYR 61 CO 0.05 0.42 0.13 0.00 -1.05 0.00 0.00 178.16 177.71 3k4l h ALA 62 N 1.21 0.44 -0.08 3.88 0.00 -1.05 0.01 119.26 123.69 3k4l h ALA 62 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3k4l h ALA 62 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3k4l h ALA 62 CO -0.06 0.05 -0.15 -0.09 0.00 0.00 0.00 179.25 179.00 3k4l h ARG 63 N 0.40 -0.20 -0.27 0.00 9.65 -0.55 0.34 114.38 123.76 3k4l h ARG 63 Ca 0.11 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3k4l h ARG 63 Cb 0.19 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3k4l h ARG 63 CO -0.01 -0.13 0.14 0.93 2.80 0.00 0.00 179.97 183.70 3k4l h GLU 64 N -0.21 0.38 0.12 0.20 4.39 -1.20 -2.93 114.58 115.32 3k4l h GLU 64 Ca 0.08 -0.05 -0.34 0.00 0.34 0.00 0.00 59.36 59.38 3k4l h GLU 64 Cb 0.31 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3k4l h GLU 64 CO -0.20 0.35 -1.84 -0.07 -1.16 0.00 0.00 179.01 176.08 3k4l h LEU 65 N 0.31 0.40 -0.68 1.33 3.38 -0.67 -2.70 115.31 116.68 3k4l h LEU 65 Ca 0.09 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 3k4l h LEU 65 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3k4l h LEU 65 CO -0.01 1.67 0.41 0.58 0.09 0.00 0.00 178.44 181.18 3k4l h VAL 66 N 0.07 1.20 0.00 1.22 2.07 -0.48 -1.84 116.25 118.49 3k4l h VAL 66 Ca -0.36 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3k4l h VAL 66 Cb 2.04 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3k4l h VAL 66 CO 0.12 0.21 -0.08 1.23 0.02 0.00 0.00 177.57 179.06 3k4l h GLY 67 N 0.93 0.00 -1.97 2.17 0.00 -1.58 -2.06 103.07 100.57 3k4l h GLY 67 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3k4l h GLY 67 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.49 3k4l n ALA 68 N -2.21 2.43 -0.15 3.60 0.00 -0.75 -4.93 120.51 118.51 3k4l n ALA 68 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3k4l n ALA 68 Cb 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.40 0.87 3.82 0.00 0.00 -0.77 -4.88 105.19 105.63 3k4l n GLY 69 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.05 3.51 -0.62 1.61 1.51 -0.87 -4.62 117.35 115.82 3k4l s TYR 70 Ca 0.00 1.42 -0.28 0.00 -1.01 0.00 0.00 57.07 57.20 3k4l s TYR 70 Cb 0.00 -2.67 0.03 0.00 -0.11 0.00 0.00 41.96 39.22 3k4l s TYR 70 CO 0.00 0.17 1.20 0.21 -1.11 0.00 0.00 175.55 176.03 3k4l s LYS 71 N -2.50 3.41 -0.12 -0.62 2.20 -1.26 -4.38 119.74 116.48 3k4l s LYS 71 Ca 0.50 0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 56.19 3k4l s LYS 71 Cb -0.14 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 3k4l s LYS 71 CO 0.19 -1.80 -0.09 0.08 -0.36 0.00 0.00 175.35 173.36 3k4l s VAL 72 N 5.12 3.42 -0.04 4.02 1.01 -0.90 -1.12 120.40 131.90 3k4l s VAL 72 Ca 0.40 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3k4l s VAL 72 Cb -0.08 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3k4l s VAL 72 CO 0.22 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.76 3k4l s ALA 73 N 0.03 2.86 -0.00 5.51 0.00 -0.60 -1.81 121.76 127.74 3k4l s ALA 73 Ca -0.02 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3k4l s ALA 73 Cb -0.14 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3k4l s ALA 73 CO 0.04 0.58 -0.16 1.41 0.00 0.00 0.00 175.76 177.62 3k4l s MET 74 N -0.96 1.27 -0.01 0.00 1.75 -0.07 -0.49 119.30 120.79 3k4l s MET 74 Ca 0.13 -0.62 0.08 0.00 -1.25 0.00 0.00 55.69 54.04 3k4l s MET 74 Cb -0.11 -1.25 -0.02 0.00 2.84 0.00 0.00 34.83 36.29 3k4l s MET 74 CO 0.03 0.34 -0.26 -0.06 -0.65 0.00 0.00 175.02 174.41 3k4l s PHE 75 N -0.45 2.33 0.01 4.11 0.08 0.04 -0.17 117.98 123.93 3k4l s PHE 75 Ca 0.06 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.70 3k4l s PHE 75 Cb -0.07 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 3k4l s PHE 75 CO -0.00 -0.01 -0.07 0.34 -0.10 0.00 0.00 175.22 175.37 3k4l s ASP 76 N -0.71 0.87 0.38 1.36 -1.08 -0.80 -0.58 116.67 116.11 3k4l s ASP 76 Ca 0.10 -0.25 0.21 0.00 -0.52 0.00 0.00 52.55 52.09 3k4l s ASP 76 Cb -0.10 -0.06 0.57 0.00 -1.46 0.00 0.00 42.92 41.87 3k4l s ASP 76 CO -0.01 0.01 1.67 -0.29 0.52 0.00 0.00 175.17 177.07 3k4l h ILE 77 N 4.82 0.61 -5.09 4.11 2.10 -1.79 0.90 117.51 123.18 3k4l h ILE 77 Ca -0.31 -1.49 -0.41 0.00 1.08 0.00 0.00 64.86 63.72 3k4l h ILE 77 Cb 1.19 2.02 0.09 0.00 -1.09 0.00 0.00 36.82 39.03 3k4l h ILE 77 CO 0.47 0.30 0.14 0.61 -1.08 0.00 0.00 178.15 178.59 3k4l n GLY 78 N 0.61 0.35 3.54 8.18 0.00 -1.26 -3.91 105.19 112.70 3k4l n GLY 78 Ca 0.01 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.96 1.82 -0.06 1.61 2.02 -1.26 -0.85 118.70 117.01 3k4l s GLU 79 Ca 0.61 -1.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.41 3k4l s GLU 79 Cb -0.03 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 3k4l s GLU 79 CO 0.41 0.17 1.29 0.42 0.02 0.00 0.00 175.26 177.57 3k4l s ILE 80 N -2.59 4.06 -0.29 -1.63 1.01 -1.26 -1.20 121.20 119.30 3k4l s ILE 80 Ca 0.32 1.38 0.11 0.00 0.00 0.00 0.00 60.65 62.47 3k4l s ILE 80 Cb 0.01 -3.89 0.35 0.00 0.01 0.00 0.00 42.46 38.94 3k4l s ILE 80 CO 0.16 -0.03 1.45 -0.90 0.00 0.00 0.00 174.94 175.63 3k4l n ASP 81 N 5.56 -1.37 -0.54 3.58 5.75 -1.26 -4.95 116.55 123.33 3k4l n ASP 81 Ca 0.12 -2.15 0.06 0.00 -0.01 0.00 0.00 54.79 52.81 3k4l n ASP 81 Cb 0.45 0.62 0.19 0.00 -1.03 0.00 0.00 41.12 41.35 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 -1.34 2.17 0.00 -1.12 7.64 -1.26 -5.01 113.62 114.70 3k4l n SER 82 Ca -0.18 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.12 3k4l n SER 82 Cb 0.85 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.18 -1.60 0.23 0.23 0.00 -1.26 -4.36 105.19 97.25 3k4l n GLY 83 Ca 0.20 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -8.31 0.99 3.38 -2.02 -3.38 115.31 105.97 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 0.18 0.65 -0.54 0.09 0.00 0.00 178.44 178.83 3k4l s LYS 85 N -3.57 3.16 0.08 1.13 1.02 -1.26 -4.99 119.74 115.31 3k4l s LYS 85 Ca 0.01 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 3k4l s LYS 85 Cb 0.09 -4.19 -0.07 0.00 -0.52 0.00 0.00 37.83 33.14 3k4l s LYS 85 CO 0.63 -1.83 1.37 0.42 -0.92 0.00 0.00 175.35 175.01 3k4l s ILE 86 N 4.39 3.49 -0.26 2.17 1.01 -1.26 -2.38 121.20 128.36 3k4l s ILE 86 Ca 0.26 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.95 3k4l s ILE 86 Cb -0.14 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3k4l s ILE 86 CO 0.13 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3k4l n GLY 87 N 3.49 0.58 3.87 6.18 0.00 -1.26 -4.24 105.19 113.82 3k4l n GLY 87 Ca 0.12 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.01 2.78 0.08 4.61 0.00 -1.00 -2.71 121.76 123.50 3k4l s ALA 88 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 3k4l s ALA 88 Cb 0.00 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 3k4l s ALA 88 CO 0.00 -1.28 1.58 -1.58 0.00 0.00 0.00 175.76 174.48 3k4l s HIS 89 N -3.36 2.64 -0.59 0.00 2.46 -1.26 -4.51 115.29 110.66 3k4l s HIS 89 Ca 0.59 0.49 0.22 0.00 0.47 0.00 0.00 55.06 56.83 3k4l s HIS 89 Cb -0.11 -3.89 0.91 0.00 -0.13 0.00 0.00 32.58 29.35 3k4l s HIS 89 CO 0.52 -3.48 1.67 1.63 -2.47 0.00 0.00 174.74 172.61 3k4l n LYS 90 N 5.21 0.16 0.00 2.88 5.02 0.03 -2.18 118.16 129.27 3k4l n LYS 90 Ca 0.15 0.38 0.14 0.00 -2.02 0.00 0.00 58.31 56.96 3k4l n LYS 90 Cb 0.41 -1.79 0.60 0.00 -0.02 0.00 0.00 35.03 34.23 3k4l n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4l n LYS 91 N -2.09 0.49 -0.88 1.97 4.81 -1.26 -4.20 118.16 117.00 3k4l n LYS 91 Ca 0.03 -0.14 -0.15 0.00 -0.87 0.00 0.00 58.31 57.17 3k4l n LYS 91 Cb 0.23 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.80 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 -1.13 6.31 -4.68 3.14 3.02 -0.93 -4.34 115.26 116.65 3k4l n ASN 92 Ca 0.13 -2.98 -0.30 0.00 -0.03 0.00 0.00 54.58 51.40 3k4l n ASN 92 Cb 0.28 -1.08 -0.08 0.00 -0.61 0.00 0.00 39.78 38.29 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 -1.93 3.96 0.31 3.41 -4.23 -1.26 -5.00 115.64 110.89 3k4l s THR 93 Ca 0.29 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 3k4l s THR 93 Cb 0.22 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.48 3k4l s THR 93 CO -0.02 0.12 1.85 0.58 -0.54 0.00 0.00 174.62 176.62 3k4l h VAL 94 N 2.92 0.90 -0.51 2.29 2.07 -1.98 -2.26 116.25 119.69 3k4l h VAL 94 Ca -0.48 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 66.61 3k4l h VAL 94 Cb 1.16 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3k4l h VAL 94 CO 0.59 0.16 -0.17 -0.08 0.02 0.00 0.00 177.57 178.09 3k4l h GLU 95 N 0.90 1.01 -0.13 1.57 4.57 -1.94 -1.50 114.58 119.07 3k4l h GLU 95 Ca 0.48 -0.41 -0.18 0.00 -1.18 0.00 0.00 59.36 58.08 3k4l h GLU 95 Cb 0.55 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3k4l h GLU 95 CO -0.24 1.09 -0.65 1.88 -1.18 0.00 0.00 179.01 179.91 3k4l h TYR 96 N 0.89 0.64 0.00 0.92 0.05 -1.72 -2.20 116.97 115.54 3k4l h TYR 96 Ca 0.12 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.65 3k4l h TYR 96 Cb 0.75 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.38 3k4l h TYR 96 CO 0.05 1.00 0.00 1.96 -1.05 0.00 0.00 178.16 180.12 3k4l h GLN 97 N 0.36 0.00 -0.00 4.88 4.20 -1.23 -0.31 115.11 123.00 3k4l h GLN 97 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3k4l h GLN 97 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3k4l h GLN 97 CO 0.12 0.00 -0.41 1.63 -0.67 0.00 0.00 178.83 179.50 3k4l n LYS 98 N -2.37 0.33 -2.85 1.46 5.02 -0.58 -4.49 118.16 114.68 3k4l n LYS 98 Ca 0.03 -0.20 -0.11 0.00 -2.02 0.00 0.00 58.31 56.01 3k4l n LYS 98 Cb 0.31 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.16 -0.51 0.22 4.39 3.02 -0.67 -4.99 115.26 115.55 3k4l n ASN 99 Ca 0.08 -3.03 0.09 0.00 -0.03 0.00 0.00 54.58 51.69 3k4l n ASN 99 Cb 0.34 0.46 0.48 0.00 -0.61 0.00 0.00 39.78 40.45 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 2.20 0.70 -1.34 2.41 6.09 -1.32 -1.41 117.51 124.84 3k4l h ILE 100 Ca -0.08 -1.12 0.39 0.00 -1.37 0.00 0.00 64.86 62.68 3k4l h ILE 100 Cb 1.12 1.71 -0.06 0.00 0.47 0.00 0.00 36.82 40.07 3k4l h ILE 100 CO 0.28 0.25 0.96 -2.24 -3.07 0.00 0.00 178.15 174.33 3k4l h ASP 101 N 0.00 0.01 0.96 2.19 -0.00 -1.94 -1.64 116.42 116.00 3k4l h ASP 101 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3k4l h ASP 101 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 3k4l h ASP 101 CO 0.03 -0.00 -0.30 0.29 -0.00 0.00 0.00 179.24 179.26 3k4l n LYS 102 N -4.15 0.15 0.23 4.15 4.76 -0.53 -3.94 118.16 118.84 3k4l n LYS 102 Ca 0.29 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.93 3k4l n LYS 102 Cb 1.39 -1.63 0.51 0.00 -1.84 0.00 0.00 35.03 33.46 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 -0.87 2.13 3.57 -1.44 -2.77 116.94 117.56 3k4l h PHE 103 Ca 0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 3k4l h PHE 103 Cb 0.63 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3k4l h PHE 103 CO 0.00 0.17 0.56 -0.24 -2.23 0.00 0.00 178.31 176.58 3k4l h VAL 104 N 0.00 0.84 -0.43 1.41 3.04 -1.76 -0.92 116.25 118.43 3k4l h VAL 104 Ca -0.00 -0.23 -0.10 0.00 -1.01 0.00 0.00 66.70 65.36 3k4l h VAL 104 Cb 0.69 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 3k4l h VAL 104 CO 0.02 0.12 -0.15 0.78 -1.01 0.00 0.00 177.57 177.33 3k4l h ASN 105 N 0.67 0.80 -0.12 3.17 4.21 -1.77 -1.12 115.58 121.42 3k4l h ASN 105 Ca 0.44 -0.26 0.04 0.00 1.21 0.00 0.00 56.30 57.72 3k4l h ASN 105 Cb 0.72 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.66 3k4l h ASN 105 CO -0.19 0.96 -0.12 0.58 -1.29 0.00 0.00 177.43 177.36 3k4l h VAL 106 N 0.71 0.66 0.16 2.81 2.07 -1.32 0.01 116.25 121.36 3k4l h VAL 106 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3k4l h VAL 106 Cb 0.65 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3k4l h VAL 106 CO 0.05 0.00 -0.37 0.40 0.02 0.00 0.00 177.57 177.66 3k4l h ILE 107 N -0.15 0.23 -0.77 4.57 2.04 -1.21 -2.72 117.51 119.50 3k4l h ILE 107 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3k4l h ILE 107 Cb 0.27 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3k4l h ILE 107 CO -0.21 0.00 0.50 1.56 0.00 0.00 0.00 178.15 180.00 3k4l h GLN 108 N -0.63 0.69 0.00 2.37 4.20 -1.01 -1.36 115.11 119.37 3k4l h GLN 108 Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3k4l h GLN 108 Cb 0.64 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3k4l h GLN 108 CO -0.19 0.46 0.00 0.78 -0.67 0.00 0.00 178.83 179.20 3k4l h GLY 109 N 0.71 0.00 -0.83 3.46 0.00 -0.68 -3.11 103.07 102.63 3k4l h GLY 109 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3k4l h GLY 109 CO -0.13 0.00 -0.36 0.61 0.00 0.00 0.00 176.54 176.66 3k4l n GLN 110 N -2.39 0.92 -3.72 4.80 10.64 -0.54 -4.93 117.38 122.17 3k4l n GLN 110 Ca 0.01 -2.35 -0.38 0.00 -1.83 0.00 0.00 57.00 52.45 3k4l n GLN 110 Cb 0.19 -1.13 -0.11 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.99 4.85 -0.26 2.61 1.43 -1.07 -3.93 118.68 120.32 3k4l s LEU 111 Ca 0.27 -1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 3k4l s LEU 111 Cb 0.26 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3k4l s LEU 111 CO -0.03 -0.46 0.16 -0.04 0.23 0.00 0.00 176.35 176.21 3k4l s MET 112 N 1.32 3.97 0.27 1.70 -1.94 0.47 -4.83 119.30 120.26 3k4l s MET 112 Ca 0.02 -0.32 -0.30 0.00 -1.71 0.00 0.00 55.69 53.38 3k4l s MET 112 Cb -0.22 -3.55 -0.12 0.00 2.01 0.00 0.00 34.83 32.95 3k4l s MET 112 CO 0.00 -0.06 1.60 0.43 -0.01 0.00 0.00 175.02 176.97 3k4l n SER 113 N 4.66 3.75 -0.04 3.03 7.64 -1.26 -0.51 113.62 130.89 3k4l n SER 113 Ca -0.15 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.75 3k4l n SER 113 Cb 0.52 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.38 1.27 -2.18 0.44 2.07 -1.59 -3.45 116.25 116.19 3k4l h VAL 114 Ca -0.46 -0.90 -0.24 0.00 0.82 0.00 0.00 66.70 65.92 3k4l h VAL 114 Cb 1.23 1.64 -0.33 0.00 -1.52 0.00 0.00 31.29 32.31 3k4l h VAL 114 CO 0.81 0.26 -0.56 -0.55 0.02 0.00 0.00 177.57 177.56 3k4l s SER 115 N -5.78 0.84 -0.24 0.57 0.15 -1.26 -4.65 113.70 103.34 3k4l s SER 115 Ca -0.14 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.40 3k4l s SER 115 Cb 0.05 0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 65.09 3k4l s SER 115 CO 0.71 -0.32 0.01 -0.69 1.20 0.00 0.00 173.24 174.16 3k4l s VAL 116 N 2.44 3.84 0.82 4.45 1.01 -1.26 -4.75 120.40 126.95 3k4l s VAL 116 Ca 0.10 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3k4l s VAL 116 Cb -0.15 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.53 3k4l s VAL 116 CO -0.16 0.38 1.09 -2.16 0.00 0.00 0.00 175.10 174.25 3k4l s PRO 117 N 1.55 1.86 0.20 2.72 0.04 -1.26 -0.17 135.00 139.94 3k4l s PRO 117 Ca 0.06 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3k4l s PRO 117 Cb -0.15 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3k4l s PRO 117 CO 0.00 -1.80 1.63 0.08 0.04 0.00 0.00 177.00 176.95 3k4l s VAL 118 N -3.07 2.31 0.02 -0.36 1.01 -1.26 -4.69 120.40 114.36 3k4l s VAL 118 Ca 0.61 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3k4l s VAL 118 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3k4l s VAL 118 CO 0.55 0.02 1.04 0.21 0.00 0.00 0.00 175.10 176.93 3k4l s ASN 119 N 1.03 7.28 -0.11 3.32 3.84 -1.26 -4.96 114.94 124.09 3k4l s ASN 119 Ca 0.71 1.76 0.16 0.00 0.21 0.00 0.00 52.86 55.69 3k4l s ASN 119 Cb -0.47 -2.57 0.25 0.00 -0.55 0.00 0.00 41.25 37.91 3k4l s ASN 119 CO 0.34 -0.32 1.13 0.35 -2.79 0.00 0.00 177.10 175.81 3k4l n THR 120 N 3.92 1.58 -2.06 -5.21 -2.24 -1.26 -4.81 114.28 104.20 3k4l n THR 120 Ca 0.07 -1.93 -0.42 0.00 -2.27 0.00 0.00 64.05 59.50 3k4l n THR 120 Cb 0.50 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.40 4.39 -0.24 3.22 1.43 -1.26 -4.99 118.68 118.82 3k4l s LEU 121 Ca 0.27 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 55.75 3k4l s LEU 121 Cb 0.24 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 3k4l s LEU 121 CO 0.02 -0.68 0.54 -0.69 0.23 0.00 0.00 176.35 175.77 3k4l s VAL 122 N 0.36 5.06 -0.41 -1.59 1.01 -1.26 -5.03 120.40 118.54 3k4l s VAL 122 Ca 0.61 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 63.48 3k4l s VAL 122 Cb -0.40 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.21 3k4l s VAL 122 CO 0.38 0.09 0.23 -0.69 0.00 0.00 0.00 175.10 175.12 3k4l s VAL 123 N 2.19 3.90 -0.17 2.92 1.01 -1.26 -4.95 120.40 124.03 3k4l s VAL 123 Ca 0.23 -1.60 0.13 0.00 0.00 0.00 0.00 61.98 60.74 3k4l s VAL 123 Cb -0.16 -3.46 0.25 0.00 0.00 0.00 0.00 36.38 33.02 3k4l s VAL 123 CO 0.09 -0.55 1.16 -0.90 0.00 0.00 0.00 175.10 174.91 3k4l n ASP 124 N 4.82 2.56 -1.34 3.32 5.75 -1.26 -4.50 116.55 125.90 3k4l n ASP 124 Ca -0.08 -2.69 -0.02 0.00 -0.01 0.00 0.00 54.79 51.99 3k4l n ASP 124 Cb 0.42 -0.32 0.24 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.86 2.60 -2.03 2.12 -2.24 -1.26 -4.99 114.28 107.62 3k4l n THR 125 Ca 0.12 -2.15 -0.37 0.00 -2.27 0.00 0.00 64.05 59.39 3k4l n THR 125 Cb 0.56 -0.32 0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -3.06 3.80 0.46 3.22 1.43 -1.26 -4.99 118.68 118.27 3k4l s LEU 126 Ca 0.47 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.78 3k4l s LEU 126 Cb 0.40 -4.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 3k4l s LEU 126 CO 0.07 -1.41 1.30 -0.24 0.23 0.00 0.00 176.35 176.30 3k4l n SER 127 N -1.18 2.65 0.20 2.29 2.88 -1.26 -4.90 113.62 114.30 3k4l n SER 127 Ca 0.11 1.08 0.17 0.00 -1.33 0.00 0.00 58.87 58.90 3k4l n SER 127 Cb 0.48 -1.53 0.69 0.00 -0.75 0.00 0.00 64.21 63.11 3k4l n SER 127 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k4l h PRO 128 N 1.96 0.00 0.00 -1.46 0.11 -1.99 -2.15 132.00 128.47 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 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3k4l h PRO 128 CO 0.59 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.13 3k4l h THR 129 N 0.00 0.00 -3.76 -1.15 1.35 -2.04 -3.46 112.91 103.85 3k4l h THR 129 Ca 0.11 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.51 3k4l h THR 129 Cb 1.11 1.94 0.01 0.00 -1.73 0.00 0.00 68.15 69.48 3k4l h THR 129 CO -0.00 0.00 0.48 -0.44 -0.25 0.00 0.00 175.52 175.30 3k4l s SER 130 N -6.04 7.27 0.31 5.36 0.01 -0.81 -4.99 113.70 114.81 3k4l s SER 130 Ca 0.07 2.24 -0.29 0.00 1.31 0.00 0.00 55.95 59.27 3k4l s SER 130 Cb 0.06 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.56 3k4l s SER 130 CO 0.67 -0.15 1.48 0.86 0.41 0.00 0.00 173.24 176.50 3k4l s TRP 131 N -0.99 2.81 -0.07 2.43 -0.00 -1.26 -4.95 118.94 116.92 3k4l s TRP 131 Ca 0.45 1.06 -0.04 0.00 -0.00 0.00 0.00 56.10 57.57 3k4l s TRP 131 Cb -0.31 -3.93 0.03 0.00 -0.00 0.00 0.00 33.47 29.25 3k4l s TRP 131 CO 0.40 -2.90 0.16 -0.65 -0.00 0.00 0.00 176.95 173.95 3k4l s GLN 132 N -1.16 0.14 0.85 5.86 -1.52 -1.26 -5.14 119.66 117.43 3k4l s GLN 132 Ca 0.57 0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 54.17 3k4l s GLN 132 Cb -0.45 -0.05 0.10 0.00 -0.22 0.00 0.00 33.01 32.39 3k4l s GLN 132 CO 0.52 -0.10 1.13 0.00 -0.25 0.00 0.00 175.29 176.59 3k4l s ALA 133 N 0.69 2.12 -2.30 6.09 0.00 -1.26 -4.97 121.76 122.13 3k4l s ALA 133 Ca -0.05 -0.42 0.20 0.00 0.00 0.00 0.00 51.96 51.69 3k4l s ALA 133 Cb -0.07 -3.05 0.12 0.00 0.00 0.00 0.00 23.12 20.12 3k4l s ALA 133 CO -0.03 -1.94 1.09 0.43 0.00 0.00 0.00 175.76 175.30 3k4l n SER 134 N -3.54 2.46 -4.12 0.00 7.64 -1.26 -4.96 113.62 109.83 3k4l n SER 134 Ca 0.07 -1.73 -0.10 0.00 1.01 0.00 0.00 58.87 58.12 3k4l n SER 134 Cb 0.58 0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.76 0.10 -1.27 0.44 -4.23 -1.26 -5.06 115.64 102.59 3k4l s THR 135 Ca 0.21 -1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 3k4l s THR 135 Cb 0.16 -2.01 0.13 0.00 1.34 0.00 0.00 72.50 72.13 3k4l s THR 135 CO 0.30 -0.46 1.68 0.49 -0.54 0.00 0.00 174.62 176.09 3k4l n PHE 136 N -0.10 4.39 -1.66 3.99 3.72 -1.26 -4.99 117.46 121.54 3k4l n PHE 136 Ca -0.06 -3.08 -0.29 0.00 -0.05 0.00 0.00 57.45 53.97 3k4l n PHE 136 Cb 0.64 -2.31 0.13 0.00 -0.94 0.00 0.00 39.48 37.00 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 2.24 2.46 -0.22 1.38 -0.71 -1.26 -4.90 117.98 116.97 3k4l s PHE 137 Ca 0.46 0.76 -0.29 0.00 -1.04 0.00 0.00 56.93 56.82 3k4l s PHE 137 Cb 0.03 -3.49 0.01 0.00 -1.21 0.00 0.00 43.02 38.35 3k4l s PHE 137 CO 0.01 -2.29 1.02 0.08 -1.34 0.00 0.00 175.22 172.71 3k4l s VAL 138 N -3.41 4.70 0.16 -2.49 1.01 -1.26 -4.79 120.40 114.31 3k4l s VAL 138 Ca 0.65 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 64.51 3k4l s VAL 138 Cb -0.12 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3k4l s VAL 138 CO 0.52 -0.15 0.35 0.00 0.00 0.00 0.00 175.10 175.82 3k4l s ARG 139 N 3.05 1.17 -1.54 2.72 1.70 -1.26 -4.96 118.95 119.82 3k4l s ARG 139 Ca 0.44 -1.00 -0.14 0.00 -0.47 0.00 0.00 55.73 54.55 3k4l s ARG 139 Cb -0.15 0.42 0.09 0.00 -0.57 0.00 0.00 34.95 34.74 3k4l s ARG 139 CO 0.07 -0.45 0.95 0.09 -1.08 0.00 0.00 175.30 174.89 3k4l n ASN 140 N -0.23 -4.73 0.00 -2.89 3.02 -1.26 -1.85 115.26 107.32 3k4l n ASN 140 Ca -0.10 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3k4l n ASN 140 Cb 0.63 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 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 -1.65 0.79 3.77 7.41 0.00 -1.26 -5.03 105.19 109.22 3k4l n GLY 141 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.83 5.64 -0.47 1.61 1.04 -0.77 -4.75 113.70 113.17 3k4l s SER 142 Ca 0.00 2.13 -0.18 0.00 0.48 0.00 0.00 55.95 58.38 3k4l s SER 142 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.59 3k4l s SER 142 CO 0.00 -1.27 0.50 0.21 0.98 0.00 0.00 173.24 173.66 3k4l s ASN 143 N -1.95 6.20 0.16 7.02 2.47 0.76 -4.75 114.94 124.84 3k4l s ASN 143 Ca 0.71 -0.91 0.19 0.00 0.42 0.00 0.00 52.86 53.27 3k4l s ASN 143 Cb -0.23 -2.24 0.81 0.00 -1.45 0.00 0.00 41.25 38.14 3k4l s ASN 143 CO 0.29 -0.72 1.58 -0.81 -3.72 0.00 0.00 177.10 173.72 3k4l n PRO 144 N 5.73 0.11 0.19 0.43 -0.04 -1.26 -1.92 135.00 138.23 3k4l n PRO 144 Ca -0.08 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3k4l n PRO 144 Cb 0.46 -1.72 0.37 0.00 -0.04 0.00 0.00 33.50 32.56 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 -5.85 0.54 4.39 -1.96 -3.46 114.58 108.25 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 0.27 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 3k4l h GLU 145 CO 0.00 0.00 0.52 -1.14 -1.16 0.00 0.00 179.01 177.23 3k4l s GLN 146 N -3.28 4.21 -0.22 2.33 2.00 -0.81 -5.01 119.66 118.88 3k4l s GLN 146 Ca 0.07 1.02 -0.29 0.00 -2.00 0.00 0.00 55.36 54.15 3k4l s GLN 146 Cb 0.08 -3.64 -0.01 0.00 0.80 0.00 0.00 33.01 30.24 3k4l s GLN 146 CO 0.60 -0.52 1.38 0.34 -0.50 0.00 0.00 175.29 176.59 3k4l s ASP 147 N 1.30 6.69 0.37 6.67 -1.08 -1.26 -4.66 116.67 124.70 3k4l s ASP 147 Ca 0.37 1.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.17 3k4l s ASP 147 Cb -0.15 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.10 3k4l s ASP 147 CO 0.08 -1.01 1.80 1.55 0.52 0.00 0.00 175.17 178.10 3k4l h PRO 148 N 9.28 0.00 -0.05 4.34 0.13 -1.95 -2.61 132.00 141.14 3k4l h PRO 148 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3k4l h PRO 148 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3k4l h PRO 148 CO 1.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.05 3k4l n LEU 149 N -2.43 2.61 -2.58 1.56 4.77 -1.26 -4.17 117.00 115.51 3k4l n LEU 149 Ca -0.01 -0.89 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 3k4l n LEU 149 Cb 0.10 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3k4l n LEU 149 CO 0.15 0.45 0.03 0.54 -1.33 0.00 0.00 177.39 177.22 3k4l n ARG 150 N 1.04 2.21 -3.91 3.23 1.74 -0.98 -4.95 116.66 115.03 3k4l n ARG 150 Ca 0.16 -3.71 -0.22 0.00 -0.77 0.00 0.00 57.85 53.31 3k4l n ARG 150 Cb 0.53 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.58 5.11 -0.93 0.55 2.47 -1.23 -1.39 114.94 115.93 3k4l s ASN 151 Ca 0.35 -0.57 -0.03 0.00 0.42 0.00 0.00 52.86 53.03 3k4l s ASN 151 Cb 0.38 -0.91 0.23 0.00 -1.45 0.00 0.00 41.25 39.50 3k4l s ASN 151 CO -0.02 -0.32 0.83 -0.76 -3.72 0.00 0.00 177.10 173.11 3k4l s LEU 152 N -3.94 5.67 0.51 3.21 1.43 -1.26 -4.82 118.68 119.48 3k4l s LEU 152 Ca 0.40 -3.71 0.25 0.00 -1.03 0.00 0.00 54.13 50.04 3k4l s LEU 152 Cb -0.05 -1.96 1.36 0.00 0.03 0.00 0.00 46.19 45.58 3k4l s LEU 152 CO 0.25 -0.20 2.05 0.77 0.23 0.00 0.00 176.35 179.46 3k4l h SER 153 N 6.11 0.00 0.89 2.29 4.64 -1.78 -1.31 113.55 124.38 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 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3k4l h SER 153 CO 0.88 0.13 -0.14 0.61 -0.87 0.00 0.00 176.83 177.45 3k4l n GLY 154 N -0.73 -1.44 3.77 -0.77 0.00 0.10 -4.85 105.19 101.27 3k4l n GLY 154 Ca -0.02 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3k4l n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4l s GLN 155 N -3.01 4.18 0.09 1.61 -1.52 -0.50 -3.57 119.66 116.95 3k4l s GLN 155 Ca 0.13 2.32 -0.19 0.00 -1.95 0.00 0.00 55.36 55.66 3k4l s GLN 155 Cb 0.18 -2.97 0.05 0.00 -0.22 0.00 0.00 33.01 30.05 3k4l s GLN 155 CO 0.58 -0.37 0.47 0.00 -0.25 0.00 0.00 175.29 175.72 3k4l s ALA 156 N -1.16 -1.16 0.23 6.09 0.00 -1.26 -1.49 121.76 123.00 3k4l s ALA 156 Ca 0.52 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.86 3k4l s ALA 156 Cb -0.42 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 3k4l s ALA 156 CO 0.55 -0.59 -0.17 0.14 0.00 0.00 0.00 175.76 175.69 3k4l s VAL 157 N -3.17 2.02 -0.20 0.00 -7.23 0.33 -4.85 120.40 107.30 3k4l s VAL 157 Ca -0.01 -2.25 0.01 0.00 -1.81 0.00 0.00 61.98 57.92 3k4l s VAL 157 Cb 0.00 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.86 3k4l s VAL 157 CO -0.07 -0.49 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.20 3k4l s THR 158 N -2.71 1.80 -0.84 5.32 2.01 -1.25 -0.40 115.64 119.57 3k4l s THR 158 Ca 0.25 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 3k4l s THR 158 Cb -0.03 -1.81 0.21 0.00 0.01 0.00 0.00 72.50 70.89 3k4l s THR 158 CO 0.10 0.24 0.73 -0.13 -0.69 0.00 0.00 174.62 174.86 3k4l s ARG 159 N 1.34 3.28 -0.00 4.92 0.52 -1.26 -4.60 118.95 123.14 3k4l s ARG 159 Ca -0.01 -2.90 -0.14 0.00 -0.52 0.00 0.00 55.73 52.17 3k4l s ARG 159 Cb -0.16 -4.07 0.02 0.00 0.52 0.00 0.00 34.95 31.26 3k4l s ARG 159 CO -0.09 -1.24 0.28 0.14 0.02 0.00 0.00 175.30 174.42 3k4l s VAL 160 N -0.67 0.07 0.19 3.52 -7.23 -1.26 -4.37 120.40 110.65 3k4l s VAL 160 Ca 0.23 -0.54 -0.33 0.00 -1.81 0.00 0.00 61.98 59.53 3k4l s VAL 160 Cb -0.12 -0.64 -0.13 0.00 0.56 0.00 0.00 36.38 36.05 3k4l s VAL 160 CO -0.08 -0.30 1.63 0.52 -0.31 0.00 0.00 175.10 176.56 3k4l n VAL 161 N 1.19 0.12 -0.16 1.32 0.31 -0.34 -0.77 118.33 119.99 3k4l n VAL 161 Ca -0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3k4l n VAL 161 Cb 0.56 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3k4l n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k4l n GLY 162 N 3.49 1.05 7.00 2.92 0.00 -0.98 -4.25 105.19 114.42 3k4l n GLY 162 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.10 0.06 -0.02 0.00 0.05 -2.00 105.19 103.38 3k4l n GLY 163 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.74 3k4l n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4l n MET 164 N 11.47 0.10 0.00 1.61 2.81 -1.26 -2.40 117.12 129.45 3k4l n MET 164 Ca 0.00 0.28 0.08 0.00 -1.81 0.00 0.00 57.70 56.25 3k4l n MET 164 Cb 0.00 -1.67 0.38 0.00 -0.71 0.00 0.00 33.22 31.22 3k4l n MET 164 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k4l n SER 165 N -1.85 0.00 0.05 7.83 3.41 -0.85 -1.73 113.62 120.49 3k4l n SER 165 Ca 0.04 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 3k4l n SER 165 Cb 0.24 -0.35 0.51 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.35 0.33 -0.08 6.66 -2.24 -1.01 -4.24 114.28 112.34 3k4l n THR 166 Ca 0.06 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3k4l n THR 166 Cb 0.14 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.88 0.00 -0.92 4.78 1.44 -0.71 -0.79 115.22 117.14 3k4l n HIS 167 Ca 0.06 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.48 3k4l n HIS 167 Cb 0.38 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.69 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 -0.32 1.81 -0.80 -1.40 1.48 -0.73 -4.93 118.94 114.05 3k4l s TRP 168 Ca 0.00 1.11 0.27 0.00 -1.06 0.00 0.00 56.10 56.42 3k4l s TRP 168 Cb 0.00 -3.19 0.85 0.00 -1.16 0.00 0.00 33.47 29.97 3k4l s TRP 168 CO 0.00 -3.24 1.74 2.41 -4.06 0.00 0.00 176.95 173.80 3k4l n THR 169 N -4.45 0.39 -1.16 0.66 -1.04 -1.26 -4.94 114.28 102.47 3k4l n THR 169 Ca 0.05 -0.20 -0.05 0.00 -2.04 0.00 0.00 64.05 61.80 3k4l n THR 169 Cb 0.56 -0.47 -0.02 0.00 -1.82 0.00 0.00 70.33 68.58 3k4l n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4l s ALA 171 N -2.06 3.47 -0.44 0.00 0.00 -1.26 -0.41 121.76 121.07 3k4l s ALA 171 Ca 0.00 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.64 3k4l s ALA 171 Cb 0.00 -3.50 0.28 0.00 0.00 0.00 0.00 23.12 19.90 3k4l s ALA 171 CO 0.00 -0.72 0.62 0.25 0.00 0.00 0.00 175.76 175.91 3k4l n THR 172 N 4.56 0.10 -2.47 0.00 -2.24 -0.16 -4.82 114.28 109.26 3k4l n THR 172 Ca 0.10 -4.41 -0.33 0.00 -2.27 0.00 0.00 64.05 57.14 3k4l n THR 172 Cb 0.47 -1.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.07 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 -1.78 3.79 0.50 -0.78 0.04 -1.26 -4.77 135.00 130.74 3k4l s PRO 173 Ca 0.38 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 3k4l s PRO 173 Cb 0.21 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 3k4l s PRO 173 CO -0.09 -0.42 1.04 1.03 0.04 0.00 0.00 177.00 178.59 3k4l s ARG 174 N -3.50 3.76 0.10 4.56 0.52 -1.26 -4.72 118.95 118.41 3k4l s ARG 174 Ca 0.65 1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 56.95 3k4l s ARG 174 Cb -0.14 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.17 3k4l s ARG 174 CO 0.24 -0.46 0.67 -0.06 0.02 0.00 0.00 175.30 175.71 3k4l s PHE 175 N -2.07 3.82 0.89 -0.53 0.40 -1.26 -5.01 117.98 114.23 3k4l s PHE 175 Ca 0.66 1.43 -0.12 0.00 -0.60 0.00 0.00 56.93 58.30 3k4l s PHE 175 Cb -0.16 -2.65 0.13 0.00 0.51 0.00 0.00 43.02 40.85 3k4l s PHE 175 CO 0.22 0.50 1.15 0.16 0.70 0.00 0.00 175.22 177.95 3k4l s ASP 176 N -0.89 3.72 0.23 1.36 -4.77 -1.26 -4.84 116.67 110.21 3k4l s ASP 176 Ca 0.33 0.90 -0.06 0.00 -3.30 0.00 0.00 52.55 50.42 3k4l s ASP 176 Cb -0.21 -1.45 0.36 0.00 -1.09 0.00 0.00 42.92 40.53 3k4l s ASP 176 CO 0.22 -2.42 1.77 0.03 0.70 0.00 0.00 175.17 175.47 3k4l h ARG 177 N -1.41 0.55 -0.45 2.11 3.08 -1.98 -1.72 114.38 114.56 3k4l h ARG 177 Ca -0.49 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 59.66 3k4l h ARG 177 Cb 1.33 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3k4l h ARG 177 CO 0.62 0.36 0.34 1.49 -1.07 0.00 0.00 179.97 181.72 3k4l h GLU 178 N 0.57 0.00 -0.01 0.04 4.81 -1.98 -2.12 114.58 115.89 3k4l h GLU 178 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3k4l h GLU 178 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3k4l h GLU 178 CO -0.30 0.00 -0.62 1.04 -0.73 0.00 0.00 179.01 178.41 3k4l n GLN 179 N -4.32 0.51 -4.22 1.92 6.02 -0.67 -4.85 117.38 111.76 3k4l n GLN 179 Ca 0.08 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 56.35 3k4l n GLN 179 Cb 0.54 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.21 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 -2.76 3.67 0.67 -1.09 3.52 -0.80 -4.61 118.95 117.56 3k4l s ARG 180 Ca 0.15 -0.42 -0.16 0.00 -0.13 0.00 0.00 55.73 55.17 3k4l s ARG 180 Cb 0.17 -3.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 3k4l s ARG 180 CO 0.69 0.35 1.16 -1.25 -0.81 0.00 0.00 175.30 175.44 3k4l s PRO 181 N 0.10 2.60 0.19 5.12 0.04 -1.26 -4.95 135.00 136.84 3k4l s PRO 181 Ca 0.02 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 3k4l s PRO 181 Cb -0.13 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3k4l s PRO 181 CO 0.02 -1.45 0.94 -0.51 0.04 0.00 0.00 177.00 176.04 3k4l s LEU 182 N -4.80 4.59 -0.04 -3.56 1.43 -1.26 -4.93 118.68 110.10 3k4l s LEU 182 Ca 0.72 1.88 0.15 0.00 -1.03 0.00 0.00 54.13 55.85 3k4l s LEU 182 Cb -0.25 -3.59 -0.22 0.00 0.03 0.00 0.00 46.19 42.15 3k4l s LEU 182 CO 0.41 0.08 0.28 0.18 0.23 0.00 0.00 176.35 177.52 3k4l n LEU 183 N 1.97 0.00 -4.07 1.79 4.77 -1.26 -4.94 117.00 115.26 3k4l n LEU 183 Ca -0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 3k4l n LEU 183 Cb 0.48 0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 3k4l n LEU 183 CO 0.50 0.06 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.47 3k4l s VAL 184 N -2.91 1.10 0.08 4.08 1.01 -1.26 -5.05 120.40 117.46 3k4l s VAL 184 Ca -0.06 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 3k4l s VAL 184 Cb 0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 3k4l s VAL 184 CO 0.61 0.33 0.48 -1.59 0.00 0.00 0.00 175.10 174.93 3k4l s LYS 185 N 0.13 3.94 -1.69 2.72 -2.85 -1.26 -4.36 119.74 116.38 3k4l s LYS 185 Ca -0.04 0.43 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 3k4l s LYS 185 Cb -0.10 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 3k4l s LYS 185 CO 0.01 0.58 0.00 -0.25 0.10 0.00 0.00 175.35 175.79 3k4l n ASP 186 N 1.22 -5.65 -3.18 0.03 8.00 -1.26 -4.91 116.55 110.81 3k4l n ASP 186 Ca -0.09 0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.36 3k4l n ASP 186 Cb 0.52 -4.71 -0.03 0.00 -0.02 0.00 0.00 41.12 36.88 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 -2.05 -0.54 0.37 -2.24 -1.08 -1.26 -5.03 116.67 104.84 3k4l s ASP 187 Ca 0.00 -1.35 0.04 0.00 -0.52 0.00 0.00 52.55 50.72 3k4l s ASP 187 Cb 0.00 1.39 0.71 0.00 -1.46 0.00 0.00 42.92 43.56 3k4l s ASP 187 CO 0.00 -0.17 2.02 0.00 0.52 0.00 0.00 175.17 177.53 3k4l h ALA 188 N 6.53 1.59 -0.59 3.66 0.00 -1.91 -0.17 119.26 128.37 3k4l h ALA 188 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3k4l h ALA 188 Cb 1.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3k4l h ALA 188 CO 0.13 0.37 0.01 -0.44 0.00 0.00 0.00 179.25 179.31 3k4l h ASP 189 N 0.72 1.01 0.13 0.00 5.19 -1.99 0.43 116.42 121.91 3k4l h ASP 189 Ca 0.19 -0.28 -0.18 0.00 -0.62 0.00 0.00 57.03 56.14 3k4l h ASP 189 Cb -0.05 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.19 3k4l h ASP 189 CO -0.04 1.06 -0.69 0.00 -3.12 0.00 0.00 179.24 176.45 3k4l h ALA 190 N 1.05 0.58 -0.49 3.45 0.00 -1.79 -1.85 119.26 120.20 3k4l h ALA 190 Ca 0.17 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3k4l h ALA 190 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3k4l h ALA 190 CO 0.03 0.73 0.10 0.22 0.00 0.00 0.00 179.25 180.33 3k4l h ASP 191 N 0.36 0.75 -0.75 0.00 3.58 -0.85 -1.70 116.42 117.81 3k4l h ASP 191 Ca -0.02 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.18 3k4l h ASP 191 Cb 1.27 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.08 3k4l h ASP 191 CO 0.13 0.80 0.47 0.44 -2.88 0.00 0.00 179.24 178.20 3k4l h ASP 192 N 0.67 0.89 -0.49 2.28 3.32 -0.82 -1.54 116.42 120.73 3k4l h ASP 192 Ca 0.15 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3k4l h ASP 192 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3k4l h ASP 192 CO 0.00 0.67 0.14 0.00 -1.72 0.00 0.00 179.24 178.33 3k4l h ALA 193 N 1.26 0.64 -0.13 3.45 0.00 -1.08 0.78 119.26 124.18 3k4l h ALA 193 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3k4l h ALA 193 Cb -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3k4l h ALA 193 CO -0.05 0.31 0.00 1.49 0.00 0.00 0.00 179.25 181.00 3k4l h GLU 194 N 0.66 0.22 -0.89 0.00 4.57 -1.01 -1.94 114.58 116.20 3k4l h GLU 194 Ca 0.16 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3k4l h GLU 194 Cb 0.30 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3k4l h GLU 194 CO -0.00 0.45 0.59 -1.49 -1.18 0.00 0.00 179.01 177.38 3k4l h TRP 195 N -0.03 1.12 -0.58 0.92 4.06 -1.15 -1.60 115.95 118.68 3k4l h TRP 195 Ca 0.04 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 3k4l h TRP 195 Cb 0.35 -0.38 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 3k4l h TRP 195 CO 0.03 0.71 0.28 0.22 -3.56 0.00 0.00 178.44 176.12 3k4l h ASP 196 N 1.21 0.76 -0.42 -3.49 3.58 -0.66 0.54 116.42 117.94 3k4l h ASP 196 Ca 0.33 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 3k4l h ASP 196 Cb -0.13 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 3k4l h ASP 196 CO -0.07 0.67 0.22 -0.09 -2.88 0.00 0.00 179.24 177.09 3k4l h ARG 197 N 0.79 0.58 -0.23 0.28 2.43 -1.07 -1.19 114.38 115.97 3k4l h ARG 197 Ca 0.20 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3k4l h ARG 197 Cb 0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3k4l h ARG 197 CO -0.03 0.48 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.84 3k4l h LEU 198 N 0.54 0.40 -1.18 3.80 3.38 -1.03 -2.24 115.31 118.97 3k4l h LEU 198 Ca 0.15 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3k4l h LEU 198 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3k4l h LEU 198 CO -0.02 0.62 0.26 1.88 0.09 0.00 0.00 178.44 181.27 3k4l h TYR 199 N 0.17 0.83 -0.69 1.13 0.05 -0.90 -0.63 116.97 116.94 3k4l h TYR 199 Ca 0.06 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3k4l h TYR 199 Cb 0.42 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3k4l h TYR 199 CO 0.04 0.63 0.37 1.15 -1.05 0.00 0.00 178.16 179.29 3k4l h THR 200 N 0.83 1.22 -0.41 -2.88 2.02 -1.04 0.13 112.91 112.78 3k4l h THR 200 Ca 0.20 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 3k4l h THR 200 Cb 0.12 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3k4l h THR 200 CO -0.02 0.25 -0.28 0.50 0.37 0.00 0.00 175.52 176.33 3k4l h LYS 201 N 0.95 0.87 -0.62 6.66 3.64 -0.93 -2.01 116.57 125.13 3k4l h LYS 201 Ca 0.24 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 3k4l h LYS 201 Cb 0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3k4l h LYS 201 CO -0.04 1.04 0.01 0.00 -2.27 0.00 0.00 179.45 178.19 3k4l h ALA 202 N 0.94 0.84 -0.44 5.00 0.00 -0.87 -0.90 119.26 123.83 3k4l h ALA 202 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3k4l h ALA 202 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3k4l h ALA 202 CO 0.07 0.67 0.17 0.93 0.00 0.00 0.00 179.25 181.10 3k4l h GLU 203 N 0.99 0.62 -0.09 0.00 5.08 -0.54 -0.90 114.58 119.75 3k4l h GLU 203 Ca 0.18 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3k4l h GLU 203 Cb 0.55 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3k4l h GLU 203 CO 0.03 0.51 0.04 1.03 -1.00 0.00 0.00 179.01 179.62 3k4l h SER 204 N 0.62 0.12 -0.99 1.42 0.87 -0.56 -0.15 113.55 114.88 3k4l h SER 204 Ca 0.15 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3k4l h SER 204 Cb 0.13 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 3k4l h SER 204 CO -0.01 0.23 0.64 1.88 -0.53 0.00 0.00 176.83 179.03 3k4l h TYR 205 N -0.00 1.19 -0.00 2.24 -1.99 -0.68 -2.56 116.97 115.16 3k4l h TYR 205 Ca 0.03 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3k4l h TYR 205 Cb 0.15 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 38.48 3k4l h TYR 205 CO -0.02 0.64 -0.38 1.19 -0.00 0.00 0.00 178.16 179.59 3k4l n PHE 206 N -4.49 0.00 -3.55 4.88 3.72 -0.39 -3.84 117.46 113.79 3k4l n PHE 206 Ca 0.14 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.33 3k4l n PHE 206 Cb 0.15 -0.24 0.08 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.28 -7.02 -2.21 -1.08 1.13 -0.37 -4.06 117.38 102.49 3k4l n GLN 207 Ca 0.08 0.81 -0.40 0.00 -1.94 0.00 0.00 57.00 55.54 3k4l n GLN 207 Cb 0.33 -5.80 -0.02 0.00 0.11 0.00 0.00 30.24 24.86 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 -3.36 2.92 0.21 5.09 2.01 -0.21 -2.43 115.64 119.87 3k4l s THR 208 Ca 0.29 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 63.04 3k4l s THR 208 Cb -0.13 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.83 3k4l s THR 208 CO 0.74 0.19 0.48 -0.83 -0.69 0.00 0.00 174.62 174.51 3k4l s GLY 209 N -0.67 0.18 -0.08 4.40 0.00 -0.24 -4.91 107.32 106.00 3k4l s GLY 209 Ca 0.50 -0.52 0.12 0.00 0.00 0.00 0.00 44.72 44.81 3k4l s GLY 209 CO 0.48 -0.45 1.10 -1.30 0.00 0.00 0.00 173.10 172.93 3k4l n THR 210 N -0.33 1.06 0.10 0.90 -2.24 -1.26 -1.04 114.28 111.47 3k4l n THR 210 Ca -0.07 -1.43 0.02 0.00 -2.27 0.00 0.00 64.05 60.30 3k4l n THR 210 Cb 0.62 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.70 1.64 0.12 3.42 5.75 -1.26 -4.65 116.55 120.87 3k4l n ASP 211 Ca 0.10 -0.37 0.12 0.00 -0.01 0.00 0.00 54.79 54.63 3k4l n ASP 211 Cb 0.71 1.06 0.47 0.00 -1.03 0.00 0.00 41.12 42.34 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 -1.28 0.20 -0.26 0.11 3.00 -1.26 -2.42 117.38 115.47 3k4l n GLN 212 Ca 0.00 0.38 0.08 0.00 -0.01 0.00 0.00 57.00 57.46 3k4l n GLN 212 Cb 0.07 -1.85 0.19 0.00 0.00 0.00 0.00 30.24 28.65 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 -2.23 0.50 0.28 1.08 3.01 -1.26 -4.76 117.46 114.07 3k4l n PHE 213 Ca 0.03 -0.87 0.17 0.00 1.01 0.00 0.00 57.45 57.79 3k4l n PHE 213 Cb 0.27 -0.22 0.69 0.00 -0.01 0.00 0.00 39.48 40.22 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 1.04 0.00 -0.49 -1.08 2.10 -1.82 -2.34 116.57 113.97 3k4l h LYS 214 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 3k4l h LYS 214 Cb 1.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 3k4l h LYS 214 CO 0.11 0.01 0.08 0.39 -2.00 0.00 0.00 179.45 178.04 3k4l n GLU 215 N -3.11 3.58 -3.06 0.07 1.02 -1.26 -4.89 120.64 112.98 3k4l n GLU 215 Ca 0.00 -3.04 -0.40 0.00 -0.02 0.00 0.00 57.16 53.70 3k4l n GLU 215 Cb 0.30 -2.07 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 3k4l n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4l s SER 216 N -1.43 6.78 0.12 1.62 0.15 -0.88 -4.84 113.70 115.22 3k4l s SER 216 Ca 0.50 0.95 -0.17 0.00 0.70 0.00 0.00 55.95 57.93 3k4l s SER 216 Cb 0.40 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 3k4l s SER 216 CO 0.11 -0.29 1.61 0.40 1.20 0.00 0.00 173.24 176.28 3k4l h ILE 217 N 5.13 1.22 -0.78 6.45 2.04 -1.90 -1.99 117.51 127.70 3k4l h ILE 217 Ca -0.32 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 64.81 3k4l h ILE 217 Cb 1.15 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3k4l h ILE 217 CO 0.79 0.26 0.50 0.03 0.00 0.00 0.00 178.15 179.73 3k4l h ARG 218 N 0.41 0.97 -0.21 2.37 3.08 -1.94 0.21 114.38 119.28 3k4l h ARG 218 Ca 0.11 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3k4l h ARG 218 Cb 0.30 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3k4l h ARG 218 CO 0.00 0.64 0.06 1.25 -1.07 0.00 0.00 179.97 180.86 3k4l h HIS 219 N 1.00 0.11 -0.31 3.04 2.76 -1.77 -1.83 115.15 118.14 3k4l h HIS 219 Ca 0.30 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.33 3k4l h HIS 219 Cb -0.05 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3k4l h HIS 219 CO -0.03 0.05 -0.42 -0.91 -1.30 0.00 0.00 177.93 175.32 3k4l h ASN 220 N 0.15 0.84 -0.57 3.26 2.35 -0.98 -0.91 115.58 119.71 3k4l h ASN 220 Ca 0.09 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3k4l h ASN 220 Cb 0.07 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3k4l h ASN 220 CO -0.10 1.14 0.32 0.25 -1.65 0.00 0.00 177.43 177.39 3k4l h LEU 221 N 0.63 0.50 -0.05 1.61 5.85 -0.33 -1.27 115.31 122.25 3k4l h LEU 221 Ca 0.05 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3k4l h LEU 221 Cb 0.99 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3k4l h LEU 221 CO 0.09 0.34 -0.06 0.58 -0.34 0.00 0.00 178.44 179.05 3k4l h VAL 222 N 0.62 1.40 -0.23 1.05 2.07 -1.20 -2.45 116.25 117.51 3k4l h VAL 222 Ca 0.25 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3k4l h VAL 222 Cb 0.10 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3k4l h VAL 222 CO -0.14 0.35 0.10 0.25 0.02 0.00 0.00 177.57 178.14 3k4l h LEU 223 N -0.35 0.32 -0.62 2.57 6.46 -1.00 -2.18 115.31 120.50 3k4l h LEU 223 Ca 0.01 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.51 3k4l h LEU 223 Cb 0.59 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 3k4l h LEU 223 CO 0.01 0.39 0.01 0.78 -0.62 0.00 0.00 178.44 179.01 3k4l h ASN 224 N 0.22 1.07 -0.27 1.25 2.35 -1.34 -1.11 115.58 117.75 3k4l h ASN 224 Ca 0.08 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3k4l h ASN 224 Cb 0.17 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3k4l h ASN 224 CO -0.01 1.11 0.17 0.50 -1.65 0.00 0.00 177.43 177.55 3k4l h LYS 225 N 0.99 0.36 -0.29 0.81 1.63 -1.24 -2.18 116.57 116.65 3k4l h LYS 225 Ca 0.18 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3k4l h LYS 225 Cb 0.56 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3k4l h LYS 225 CO 0.03 0.26 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.19 3k4l h LEU 226 N 0.36 0.53 -0.85 5.20 3.38 -1.25 -1.01 115.31 121.67 3k4l h LEU 226 Ca 0.10 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3k4l h LEU 226 Cb -0.01 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3k4l h LEU 226 CO -0.02 0.74 0.50 0.71 0.09 0.00 0.00 178.44 180.46 3k4l h THR 227 N 0.31 0.96 -0.38 0.22 1.35 -1.22 -1.82 112.91 112.33 3k4l h THR 227 Ca 0.08 -0.30 0.04 0.00 -0.55 0.00 0.00 66.41 65.67 3k4l h THR 227 Cb 0.49 0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 66.89 3k4l h THR 227 CO 0.02 0.16 0.16 -0.33 -0.25 0.00 0.00 175.52 175.28 3k4l h GLU 228 N 0.87 0.33 -0.01 4.72 5.08 -1.00 -3.11 114.58 121.46 3k4l h GLU 228 Ca 0.39 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3k4l h GLU 228 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3k4l h GLU 228 CO -0.22 0.22 -0.62 0.93 -1.00 0.00 0.00 179.01 178.32 3k4l h GLU 229 N 0.34 0.02 -0.01 2.33 4.39 -0.40 -2.86 114.58 118.40 3k4l h GLU 229 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3k4l h GLU 229 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3k4l h GLU 229 CO -0.14 0.64 -0.09 0.66 -1.16 0.00 0.00 179.01 178.92 3k4l n TYR 230 N -3.81 0.00 -4.13 4.33 4.02 -0.80 -4.95 117.16 111.82 3k4l n TYR 230 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 3k4l n TYR 230 Cb 0.62 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 3k4l n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4l n LYS 231 N -0.74 -2.77 0.00 -0.72 5.02 -1.08 -0.89 118.16 116.98 3k4l n LYS 231 Ca 0.16 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3k4l n LYS 231 Cb 0.27 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 3k4l n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4l n GLY 232 N -1.85 2.89 0.26 0.72 0.00 -1.26 -4.89 105.19 101.06 3k4l n GLY 232 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3k4l n GLY 232 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k4l h GLN 233 N 1.89 0.00 -4.09 1.61 4.20 -1.39 -3.44 115.11 113.90 3k4l h GLN 233 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3k4l h GLN 233 Cb 0.00 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.58 3k4l h GLN 233 CO 0.00 0.09 -0.70 1.03 -0.67 0.00 0.00 178.83 178.58 3k4l s ARG 234 N -4.65 0.39 -0.14 1.46 0.52 -1.26 -5.14 118.95 110.13 3k4l s ARG 234 Ca -0.04 -0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 54.39 3k4l s ARG 234 Cb 0.15 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.68 3k4l s ARG 234 CO 0.63 -0.05 0.01 -0.51 0.02 0.00 0.00 175.30 175.40 3k4l s ASP 235 N -1.75 5.24 -0.05 0.23 1.01 -1.26 -4.89 116.67 115.20 3k4l s ASP 235 Ca -0.11 0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.23 3k4l s ASP 235 Cb -0.07 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.09 3k4l s ASP 235 CO -0.02 0.24 -0.18 -0.36 0.21 0.00 0.00 175.17 175.06 3k4l s PHE 236 N -0.07 2.60 0.27 4.23 0.40 -1.26 -4.21 117.98 119.94 3k4l s PHE 236 Ca 0.04 -0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 55.97 3k4l s PHE 236 Cb -0.13 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3k4l s PHE 236 CO 0.02 0.05 0.41 1.14 0.70 0.00 0.00 175.22 177.54 3k4l s GLN 237 N -0.53 1.62 0.36 0.44 -2.07 -0.04 -4.99 119.66 114.45 3k4l s GLN 237 Ca 0.07 -1.52 -0.27 0.00 -1.82 0.00 0.00 55.36 51.82 3k4l s GLN 237 Cb -0.11 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 32.13 3k4l s GLN 237 CO 0.01 -0.65 1.25 -1.14 -1.32 0.00 0.00 175.29 173.44 3k4l s GLN 238 N -3.68 4.23 -0.03 9.60 0.74 -1.26 -0.77 119.66 128.49 3k4l s GLN 238 Ca 0.29 2.07 -0.36 0.00 0.05 0.00 0.00 55.36 57.42 3k4l s GLN 238 Cb 0.01 -2.93 -0.14 0.00 1.10 0.00 0.00 33.01 31.05 3k4l s GLN 238 CO 0.14 -0.24 1.68 -0.89 -0.55 0.00 0.00 175.29 175.42 3k4l n ILE 239 N 0.53 0.27 -1.96 -2.34 5.41 -0.00 -4.74 119.36 116.52 3k4l n ILE 239 Ca 0.02 -0.05 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 3k4l n ILE 239 Cb 0.44 -1.46 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 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 2.48 4.21 -0.05 0.38 0.02 -1.26 -4.77 135.00 136.01 3k4l s PRO 240 Ca 0.89 2.30 0.04 0.00 0.02 0.00 0.00 61.00 64.24 3k4l s PRO 240 Cb -0.81 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.24 3k4l s PRO 240 CO 0.50 -0.68 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.83 3k4l s LEU 241 N 2.17 1.86 -0.99 -5.54 1.43 -0.21 -0.99 118.68 116.42 3k4l s LEU 241 Ca 0.72 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 3k4l s LEU 241 Cb -0.40 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 44.97 3k4l s LEU 241 CO 0.31 0.12 1.41 0.00 0.23 0.00 0.00 176.35 178.43 3k4l s ALA 242 N 0.17 2.76 -0.23 4.21 0.00 0.45 -1.08 121.76 128.04 3k4l s ALA 242 Ca -0.06 -2.20 -0.32 0.00 0.00 0.00 0.00 51.96 49.38 3k4l s ALA 242 Cb -0.12 -4.47 0.16 0.00 0.00 0.00 0.00 23.12 18.69 3k4l s ALA 242 CO 0.02 -3.54 1.23 0.00 0.00 0.00 0.00 175.76 173.47 3k4l s ALA 243 N 4.91 -2.07 -0.16 0.00 0.00 -1.02 -1.00 121.76 122.42 3k4l s ALA 243 Ca 0.44 1.73 -0.00 0.00 0.00 0.00 0.00 51.96 54.13 3k4l s ALA 243 Cb -0.01 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.32 3k4l s ALA 243 CO -0.07 -0.39 -0.06 0.99 0.00 0.00 0.00 175.76 176.22 3k4l s THR 244 N -1.56 1.14 0.22 0.00 2.01 -0.31 -4.61 115.64 112.54 3k4l s THR 244 Ca 0.07 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 3k4l s THR 244 Cb -0.01 -1.27 -0.09 0.00 0.01 0.00 0.00 72.50 71.14 3k4l s THR 244 CO -0.05 0.19 1.35 -0.60 -0.69 0.00 0.00 174.62 174.83 3k4l s ARG 245 N 1.63 4.35 -0.14 4.92 3.52 -1.26 -0.53 118.95 131.43 3k4l s ARG 245 Ca 0.02 2.15 0.14 0.00 -0.13 0.00 0.00 55.73 57.90 3k4l s ARG 245 Cb -0.15 -3.16 -0.20 0.00 -1.56 0.00 0.00 34.95 29.89 3k4l s ARG 245 CO -0.08 -0.30 0.09 0.54 -0.81 0.00 0.00 175.30 174.74 3k4l n ARG 246 N 2.41 1.39 -3.83 5.12 5.12 0.14 -4.89 116.66 122.12 3k4l n ARG 246 Ca 0.06 -0.02 -0.06 0.00 -1.93 0.00 0.00 57.85 55.89 3k4l n ARG 246 Cb 0.42 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 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 -4.77 -0.12 0.45 0.55 1.04 -0.88 -4.94 113.70 105.03 3k4l s SER 247 Ca -0.07 -0.76 0.29 0.00 0.48 0.00 0.00 55.95 55.88 3k4l s SER 247 Cb 0.05 0.70 1.57 0.00 0.10 0.00 0.00 66.02 68.44 3k4l s SER 247 CO 0.63 -1.34 1.88 -0.65 0.98 0.00 0.00 173.24 174.74 3k4l h PRO 248 N 2.00 0.00 0.00 4.02 0.11 -2.00 -2.48 132.00 133.65 3k4l h PRO 248 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3k4l h PRO 248 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k4l h PRO 248 CO 0.31 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.30 3k4l n THR 249 N -2.54 0.86 -3.74 -1.15 -2.24 -1.26 -4.79 114.28 99.42 3k4l n THR 249 Ca -0.02 -0.94 -0.15 0.00 -2.27 0.00 0.00 64.05 60.67 3k4l n THR 249 Cb 0.08 0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.06 -0.04 -0.15 4.78 2.19 -0.94 -4.91 117.98 117.85 3k4l s PHE 250 Ca 0.07 0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.62 3k4l s PHE 250 Cb 0.06 -0.22 -0.00 0.00 -1.31 0.00 0.00 43.02 41.54 3k4l s PHE 250 CO 0.01 -0.14 -0.15 0.08 1.83 0.00 0.00 175.22 176.85 3k4l s VAL 251 N 1.34 2.75 -0.63 3.12 1.01 -1.26 -0.69 120.40 126.04 3k4l s VAL 251 Ca -0.06 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 3k4l s VAL 251 Cb -0.12 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.15 3k4l s VAL 251 CO -0.04 0.51 1.02 -0.70 0.00 0.00 0.00 175.10 175.89 3k4l s GLU 252 N 0.74 3.22 0.23 2.72 2.12 0.31 -4.84 118.70 123.19 3k4l s GLU 252 Ca -0.06 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 3k4l s GLU 252 Cb -0.15 -4.15 -0.09 0.00 0.26 0.00 0.00 34.13 30.00 3k4l s GLU 252 CO 0.01 -1.75 1.08 -1.58 -0.54 0.00 0.00 175.26 172.48 3k4l s TRP 253 N 4.35 3.64 0.74 5.30 0.52 -1.26 -1.16 118.94 131.07 3k4l s TRP 253 Ca 0.28 1.68 -0.10 0.00 0.02 0.00 0.00 56.10 57.99 3k4l s TRP 253 Cb -0.13 -3.24 0.05 0.00 -1.15 0.00 0.00 33.47 29.00 3k4l s TRP 253 CO 0.15 -0.44 1.09 -1.12 0.02 0.00 0.00 176.95 176.66 3k4l s SER 254 N -0.56 4.94 0.18 2.95 0.01 -0.17 -4.52 113.70 116.52 3k4l s SER 254 Ca 0.46 0.81 -0.15 0.00 1.31 0.00 0.00 55.95 58.37 3k4l s SER 254 Cb -0.30 -1.47 0.06 0.00 0.21 0.00 0.00 66.02 64.52 3k4l s SER 254 CO 0.37 -1.60 0.75 -1.54 0.41 0.00 0.00 173.24 171.63 3k4l n SER 255 N -3.08 -1.44 -0.33 2.44 3.41 -1.26 -4.69 113.62 108.67 3k4l n SER 255 Ca 0.07 -1.82 0.14 0.00 -0.26 0.00 0.00 58.87 57.00 3k4l n SER 255 Cb 0.59 2.35 0.33 0.00 -0.26 0.00 0.00 64.21 67.22 3k4l n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4l h ALA 256 N 2.00 1.58 -0.81 7.33 0.00 -1.78 -1.13 119.26 126.46 3k4l h ALA 256 Ca -0.22 0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3k4l h ALA 256 Cb 0.93 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3k4l h ALA 256 CO 0.29 -0.22 0.53 -0.97 0.00 0.00 0.00 179.25 178.88 3k4l h ASN 257 N 0.57 0.62 -0.52 0.00 -0.73 -1.63 0.74 115.58 114.63 3k4l h ASN 257 Ca 0.58 0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.68 3k4l h ASN 257 Cb 1.03 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.50 3k4l h ASN 257 CO -0.46 0.35 -0.04 0.74 -0.37 0.00 0.00 177.43 177.66 3k4l h THR 258 N 0.68 1.27 -0.20 -3.57 2.02 -1.52 -3.15 112.91 108.43 3k4l h THR 258 Ca 0.38 -1.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.29 3k4l h THR 258 Cb 0.56 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3k4l h THR 258 CO -0.15 0.41 -0.32 0.58 0.37 0.00 0.00 175.52 176.41 3k4l h VAL 259 N 0.81 1.33 -2.55 3.16 2.07 -1.08 -3.45 116.25 116.53 3k4l h VAL 259 Ca 0.14 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 3k4l h VAL 259 Cb 0.58 1.83 -0.26 0.00 -1.52 0.00 0.00 31.29 31.92 3k4l h VAL 259 CO 0.03 0.47 -0.25 0.12 0.02 0.00 0.00 177.57 177.96 3k4l s PHE 260 N -4.14 -0.67 -1.14 1.57 5.36 0.11 -4.74 117.98 114.34 3k4l s PHE 260 Ca -0.13 1.41 0.22 0.00 -0.96 0.00 0.00 56.93 57.47 3k4l s PHE 260 Cb 0.07 0.32 1.00 0.00 -0.34 0.00 0.00 43.02 44.07 3k4l s PHE 260 CO 0.81 -0.37 1.72 -0.40 -1.46 0.00 0.00 175.22 175.52 3k4l n ASP 261 N 4.27 0.00 0.00 6.13 5.68 -1.20 -3.90 116.55 127.52 3k4l n ASP 261 Ca -0.23 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 3k4l n ASP 261 Cb 0.56 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3k4l n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4l n LEU 262 N -1.43 0.48 -4.75 -2.12 4.77 -1.26 -4.23 117.00 108.45 3k4l n LEU 262 Ca 0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 3k4l n LEU 262 Cb 0.23 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 39.82 3k4l n LEU 262 CO 0.19 -0.48 0.80 -1.10 -1.33 0.00 0.00 177.39 175.47 3k4l s GLN 263 N -0.96 4.62 0.55 3.23 -1.52 -1.26 -4.75 119.66 119.57 3k4l s GLN 263 Ca 0.00 1.81 -0.21 0.00 -1.95 0.00 0.00 55.36 55.01 3k4l s GLN 263 Cb 0.00 -3.20 -0.05 0.00 -0.22 0.00 0.00 33.01 29.54 3k4l s GLN 263 CO 0.00 0.17 1.27 -0.80 -0.25 0.00 0.00 175.29 175.68 3k4l s ASN 264 N -0.72 5.38 0.05 5.90 0.01 -1.26 -4.88 114.94 119.42 3k4l s ASN 264 Ca 0.46 2.55 0.03 0.00 -0.71 0.00 0.00 52.86 55.19 3k4l s ASN 264 Cb -0.32 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.70 3k4l s ASN 264 CO 0.40 -1.48 -0.10 -0.13 -1.51 0.00 0.00 177.10 174.28 3k4l s ARG 265 N -3.02 0.63 0.52 -0.60 0.52 0.24 -4.36 118.95 112.88 3k4l s ARG 265 Ca 0.73 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.91 3k4l s ARG 265 Cb -0.35 -0.47 -0.06 0.00 0.52 0.00 0.00 34.95 34.59 3k4l s ARG 265 CO 0.40 0.09 1.16 -1.25 0.02 0.00 0.00 175.30 175.72 3k4l s PRO 266 N -1.64 3.44 0.27 3.54 0.04 -0.47 -1.62 135.00 138.56 3k4l s PRO 266 Ca -0.07 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 3k4l s PRO 266 Cb -0.10 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3k4l s PRO 266 CO 0.01 -0.80 0.37 0.54 0.04 0.00 0.00 177.00 177.16 3k4l s ASN 267 N -1.59 0.46 0.44 6.66 2.20 -0.91 -4.94 114.94 117.26 3k4l s ASN 267 Ca 0.70 -1.31 0.20 0.00 -0.94 0.00 0.00 52.86 51.51 3k4l s ASN 267 Cb -0.27 0.55 1.15 0.00 -2.00 0.00 0.00 41.25 40.69 3k4l s ASN 267 CO 0.31 -1.11 1.86 0.74 -2.94 0.00 0.00 177.10 175.97 3k4l h THR 268 N 2.30 0.66 0.00 0.54 2.02 -1.97 0.24 112.91 116.69 3k4l h THR 268 Ca -0.29 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3k4l h THR 268 Cb 1.25 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3k4l h THR 268 CO 0.41 0.06 -0.77 0.44 0.37 0.00 0.00 175.52 176.04 3k4l h ASP 269 N 0.33 0.00 -1.45 4.18 3.32 -1.99 -3.39 116.42 117.42 3k4l h ASP 269 Ca 0.46 -0.12 -0.43 0.00 0.02 0.00 0.00 57.03 56.95 3k4l h ASP 269 Cb 1.24 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.46 3k4l h ASP 269 CO -0.15 0.06 -0.97 0.00 -1.72 0.00 0.00 179.24 176.46 3k4l n ALA 270 N -1.99 1.29 0.31 3.45 0.00 0.62 -4.99 120.51 119.21 3k4l n ALA 270 Ca 0.02 -2.86 0.15 0.00 0.00 0.00 0.00 53.44 50.74 3k4l n ALA 270 Cb 0.49 -0.98 0.66 0.00 0.00 0.00 0.00 19.45 19.62 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 3.38 0.00 -0.24 0.00 0.13 -1.16 -2.34 132.00 131.76 3k4l h PRO 271 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3k4l h PRO 271 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3k4l h PRO 271 CO 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 3k4l n GLU 272 N -2.57 1.95 -4.05 0.86 -0.58 -1.26 -4.71 120.64 110.27 3k4l n GLU 272 Ca 0.00 -1.80 -0.24 0.00 -0.42 0.00 0.00 57.16 54.71 3k4l n GLU 272 Cb 0.19 -1.31 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 3k4l n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k4l s GLU 273 N -1.08 3.09 -0.15 3.49 2.02 -1.06 -4.95 118.70 120.05 3k4l s GLU 273 Ca 0.23 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 3k4l s GLU 273 Cb 0.14 -2.72 0.05 0.00 0.10 0.00 0.00 34.13 31.70 3k4l s GLU 273 CO 0.19 0.46 0.04 1.03 0.02 0.00 0.00 175.26 177.00 3k4l s ARG 274 N -3.47 0.47 -0.18 1.61 0.52 -1.26 -1.37 118.95 115.26 3k4l s ARG 274 Ca 0.33 -0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 55.24 3k4l s ARG 274 Cb -0.09 -1.70 0.06 0.00 0.52 0.00 0.00 34.95 33.73 3k4l s ARG 274 CO 0.26 -0.55 0.45 0.12 0.02 0.00 0.00 175.30 175.59 3k4l s PHE 275 N 1.97 -0.62 -0.06 -0.53 5.36 -0.64 -2.12 117.98 121.34 3k4l s PHE 275 Ca 0.01 1.35 0.02 0.00 -0.96 0.00 0.00 56.93 57.35 3k4l s PHE 275 Cb -0.15 0.28 0.02 0.00 -0.34 0.00 0.00 43.02 42.82 3k4l s PHE 275 CO -0.07 -0.33 -0.09 -0.80 -1.46 0.00 0.00 175.22 172.46 3k4l s ASN 276 N 1.14 1.50 -0.19 6.13 -0.87 -0.75 -0.59 114.94 121.31 3k4l s ASN 276 Ca -0.07 -0.24 -0.09 0.00 -1.57 0.00 0.00 52.86 50.89 3k4l s ASN 276 Cb -0.07 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.25 40.42 3k4l s ASN 276 CO -0.10 -0.01 0.11 -0.22 -2.57 0.00 0.00 177.10 174.31 3k4l s LEU 277 N 0.81 4.10 -0.43 0.60 2.96 -1.26 -0.89 118.68 124.57 3k4l s LEU 277 Ca -0.12 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 3k4l s LEU 277 Cb -0.15 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.60 3k4l s LEU 277 CO 0.02 0.19 0.15 -0.36 -1.32 0.00 0.00 176.35 175.03 3k4l s PHE 278 N 0.29 3.46 0.89 5.38 0.08 0.76 -4.96 117.98 123.89 3k4l s PHE 278 Ca 0.07 -3.08 -0.12 0.00 0.12 0.00 0.00 56.93 53.92 3k4l s PHE 278 Cb -0.11 -2.87 0.13 0.00 -0.57 0.00 0.00 43.02 39.60 3k4l s PHE 278 CO -0.01 -0.85 1.13 -2.14 -0.10 0.00 0.00 175.22 173.25 3k4l s PRO 279 N 0.32 1.29 -1.49 0.24 0.02 -1.26 -1.91 135.00 132.21 3k4l s PRO 279 Ca 0.14 0.38 -0.12 0.00 0.02 0.00 0.00 61.00 61.42 3k4l s PRO 279 Cb -0.22 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.52 3k4l s PRO 279 CO -0.04 -2.11 0.95 0.00 -0.33 0.00 0.00 177.00 175.47 3k4l n ALA 280 N -3.72 -1.40 -3.93 -1.55 0.00 0.01 -4.85 120.51 105.07 3k4l n ALA 280 Ca 0.07 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 3k4l n ALA 280 Cb 0.58 -4.15 -0.16 0.00 0.00 0.00 0.00 19.45 15.72 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 -3.36 1.40 -0.36 0.00 1.01 0.10 -0.97 120.40 118.22 3k4l s VAL 281 Ca 0.56 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 3k4l s VAL 281 Cb -0.28 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3k4l s VAL 281 CO 0.82 0.03 1.06 0.00 0.00 0.00 0.00 175.10 177.01 3k4l s ALA 282 N 1.48 3.42 -0.06 5.51 0.00 0.05 -2.43 121.76 129.72 3k4l s ALA 282 Ca -0.03 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 3k4l s ALA 282 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3k4l s ALA 282 CO -0.07 -1.65 0.68 0.00 0.00 0.00 0.00 175.76 174.72 3k4l n GLU 284 N 3.69 0.65 -3.71 0.00 1.02 0.41 -4.97 120.64 117.73 3k4l n GLU 284 Ca -0.02 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 3k4l n GLU 284 Cb 0.51 -1.13 -0.09 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.13 0.55 -0.14 3.49 3.52 -1.18 -4.69 118.95 118.37 3k4l s ARG 285 Ca -0.08 0.59 -0.07 0.00 -0.13 0.00 0.00 55.73 56.04 3k4l s ARG 285 Cb 0.02 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 3k4l s ARG 285 CO 0.16 -0.08 0.12 0.14 -0.81 0.00 0.00 175.30 174.83 3k4l s VAL 286 N 0.13 5.34 -0.27 7.11 -7.23 -1.26 -0.77 120.40 123.44 3k4l s VAL 286 Ca -0.01 0.15 -0.13 0.00 -1.81 0.00 0.00 61.98 60.18 3k4l s VAL 286 Cb -0.03 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 3k4l s VAL 286 CO 0.01 0.56 0.30 -0.69 -0.31 0.00 0.00 175.10 174.98 3k4l s VAL 287 N -0.59 5.23 0.09 1.32 1.01 -0.39 -4.77 120.40 122.31 3k4l s VAL 287 Ca 0.12 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 3k4l s VAL 287 Cb -0.12 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3k4l s VAL 287 CO 0.02 0.19 0.69 -0.13 0.00 0.00 0.00 175.10 175.88 3k4l s ARG 288 N 1.95 4.42 1.22 2.72 0.52 -1.26 -0.71 118.95 127.80 3k4l s ARG 288 Ca 0.12 0.96 -0.16 0.00 -0.52 0.00 0.00 55.73 56.14 3k4l s ARG 288 Cb -0.16 -3.29 0.30 0.00 0.52 0.00 0.00 34.95 32.32 3k4l s ARG 288 CO 0.10 0.51 1.02 0.54 0.02 0.00 0.00 175.30 177.49 3k4l s ASN 289 N -0.79 0.63 0.24 0.23 4.22 -0.05 -4.90 114.94 114.51 3k4l s ASN 289 Ca 0.34 1.20 0.02 0.00 -2.14 0.00 0.00 52.86 52.27 3k4l s ASN 289 Cb -0.21 -1.83 0.27 0.00 1.28 0.00 0.00 41.25 40.76 3k4l s ASN 289 CO 0.22 -4.37 1.60 0.00 -2.04 0.00 0.00 177.10 172.51 3k4l h ALA 290 N -2.74 0.90 0.00 3.54 0.00 -1.99 -2.53 119.26 116.44 3k4l h ALA 290 Ca -0.55 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3k4l h ALA 290 Cb 1.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k4l h ALA 290 CO 0.45 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.63 3k4l n LEU 291 N -3.99 0.42 -3.88 0.00 4.77 -1.26 -4.89 117.00 108.18 3k4l n LEU 291 Ca -0.02 0.63 -0.25 0.00 -0.03 0.00 0.00 56.01 56.34 3k4l n LEU 291 Cb 0.54 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3k4l n LEU 291 CO 0.44 -0.57 -0.14 0.59 -1.33 0.00 0.00 177.39 176.39 3k4l n ASN 292 N -1.99 -1.14 0.00 -1.43 3.02 -0.95 -4.91 115.26 107.85 3k4l n ASN 292 Ca 0.01 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3k4l n ASN 292 Cb 0.15 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 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 -2.98 0.59 -3.58 6.41 3.41 -1.26 -4.34 113.62 111.87 3k4l n SER 293 Ca -0.26 -0.81 -0.14 0.00 -0.26 0.00 0.00 58.87 57.40 3k4l n SER 293 Cb 0.66 0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.86 3k4l n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4l s GLU 294 N -0.31 0.84 -0.08 4.33 2.12 -1.26 -0.70 118.70 123.64 3k4l s GLU 294 Ca 0.00 0.53 -0.14 0.00 0.36 0.00 0.00 54.97 55.72 3k4l s GLU 294 Cb 0.00 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.74 3k4l s GLU 294 CO 0.00 -0.20 0.34 0.42 -0.54 0.00 0.00 175.26 175.29 3k4l s ILE 295 N -0.47 5.19 -0.02 -3.70 -1.09 -1.26 -0.87 121.20 118.98 3k4l s ILE 295 Ca -0.04 0.68 0.11 0.00 -2.23 0.00 0.00 60.65 59.16 3k4l s ILE 295 Cb -0.02 -3.66 -0.16 0.00 -1.58 0.00 0.00 42.46 37.04 3k4l s ILE 295 CO 0.04 0.50 0.23 -0.62 -1.23 0.00 0.00 174.94 173.86 3k4l n GLU 296 N 2.54 0.38 -3.63 2.79 -0.58 0.11 -4.94 120.64 117.31 3k4l n GLU 296 Ca -0.13 -0.09 -0.04 0.00 -0.42 0.00 0.00 57.16 56.47 3k4l n GLU 296 Cb 0.52 -1.24 -0.01 0.00 -0.57 0.00 0.00 31.44 30.14 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 -3.18 -0.21 -0.17 1.62 1.04 -1.25 -4.75 113.70 106.81 3k4l s SER 297 Ca -0.04 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.22 3k4l s SER 297 Cb 0.07 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3k4l s SER 297 CO 0.43 -0.63 -0.18 -0.22 0.98 0.00 0.00 173.24 173.62 3k4l s LEU 298 N -2.72 2.25 -0.17 2.42 2.96 0.12 -1.26 118.68 122.28 3k4l s LEU 298 Ca 0.10 -0.58 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 3k4l s LEU 298 Cb -0.00 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3k4l s LEU 298 CO -0.03 0.04 0.45 -1.00 -1.32 0.00 0.00 176.35 174.49 3k4l s HIS 299 N 1.06 3.42 0.17 5.38 3.76 0.05 0.33 115.29 129.45 3k4l s HIS 299 Ca -0.01 0.74 0.07 0.00 -0.15 0.00 0.00 55.06 55.71 3k4l s HIS 299 Cb -0.14 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 3k4l s HIS 299 CO -0.06 0.04 -0.14 0.96 -0.85 0.00 0.00 174.74 174.69 3k4l s ILE 300 N 1.12 1.56 -0.20 0.60 -4.36 -0.02 -0.44 121.20 119.46 3k4l s ILE 300 Ca 0.22 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3k4l s ILE 300 Cb -0.15 -1.85 0.04 0.00 1.25 0.00 0.00 42.46 41.76 3k4l s ILE 300 CO 0.09 -0.53 -0.09 -2.28 0.24 0.00 0.00 174.94 172.37 3k4l s HIS 301 N -2.66 2.39 -0.35 1.37 5.65 0.08 -1.26 115.29 120.51 3k4l s HIS 301 Ca 0.17 -1.60 -0.29 0.00 0.25 0.00 0.00 55.06 53.60 3k4l s HIS 301 Cb -0.02 -1.62 0.01 0.00 -1.18 0.00 0.00 32.58 29.77 3k4l s HIS 301 CO 0.05 -0.74 1.27 0.34 -0.65 0.00 0.00 174.74 175.00 3k4l s ASP 302 N 1.40 6.65 0.40 9.88 -1.08 0.31 -0.77 116.67 133.47 3k4l s ASP 302 Ca -0.02 1.02 0.22 0.00 -0.52 0.00 0.00 52.55 53.25 3k4l s ASP 302 Cb -0.17 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.25 3k4l s ASP 302 CO -0.08 -1.14 1.65 -0.07 0.52 0.00 0.00 175.17 176.05 3k4l h LEU 303 N 11.04 0.00 0.06 -1.34 3.38 -1.35 0.35 115.31 127.44 3k4l h LEU 303 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3k4l h LEU 303 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k4l h LEU 303 CO 1.06 0.20 -0.03 0.40 0.09 0.00 0.00 178.44 180.16 3k4l h ILE 304 N 0.00 0.41 0.00 1.22 1.08 -1.91 -3.35 117.51 114.96 3k4l h ILE 304 Ca -0.00 -1.21 -0.13 0.00 -0.39 0.00 0.00 64.86 63.13 3k4l h ILE 304 Cb 1.01 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 3k4l h ILE 304 CO 0.03 0.13 -0.60 0.77 -0.69 0.00 0.00 178.15 177.78 3k4l h SER 305 N -1.00 0.00 0.00 1.72 4.64 -1.94 -3.47 113.55 113.49 3k4l h SER 305 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3k4l h SER 305 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3k4l h SER 305 CO 0.01 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 3k4l n GLY 306 N 0.55 1.08 3.85 -0.77 0.00 0.12 -5.04 105.19 104.98 3k4l n GLY 306 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.73 6.50 0.03 1.61 1.01 -1.21 -4.72 116.67 117.16 3k4l s ASP 307 Ca 0.00 1.51 0.04 0.00 0.71 0.00 0.00 52.55 54.81 3k4l s ASP 307 Cb 0.00 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3k4l s ASP 307 CO 0.00 -0.67 -0.05 -0.13 0.21 0.00 0.00 175.17 174.53 3k4l s ARG 308 N -4.42 2.54 0.16 8.23 0.52 -1.26 -0.53 118.95 124.19 3k4l s ARG 308 Ca 0.57 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.99 3k4l s ARG 308 Cb -0.10 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 3k4l s ARG 308 CO 0.38 0.58 0.16 -0.06 0.02 0.00 0.00 175.30 176.39 3k4l s PHE 309 N -1.09 0.73 0.12 -0.53 0.08 -0.39 -4.99 117.98 111.92 3k4l s PHE 309 Ca 0.19 -1.08 0.11 0.00 0.12 0.00 0.00 56.93 56.27 3k4l s PHE 309 Cb -0.11 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 3k4l s PHE 309 CO 0.10 -0.62 -0.26 -1.21 -0.10 0.00 0.00 175.22 173.13 3k4l s GLU 310 N -4.04 1.46 -0.07 0.44 2.02 -1.26 -0.84 118.70 116.42 3k4l s GLU 310 Ca 0.24 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 53.94 3k4l s GLU 310 Cb 0.06 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.36 3k4l s GLU 310 CO 0.03 0.46 -0.17 0.42 0.02 0.00 0.00 175.26 176.02 3k4l s ILE 311 N -1.06 1.47 -0.13 -1.63 -1.09 0.15 -4.94 121.20 113.97 3k4l s ILE 311 Ca 0.14 -0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 57.81 3k4l s ILE 311 Cb -0.10 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 3k4l s ILE 311 CO 0.06 0.43 0.07 -0.75 -1.23 0.00 0.00 174.94 173.52 3k4l s LYS 312 N 0.36 3.45 0.18 2.79 2.47 -1.26 -0.71 119.74 127.01 3k4l s LYS 312 Ca -0.12 -0.28 -0.04 0.00 -1.56 0.00 0.00 55.97 53.98 3k4l s LYS 312 Cb -0.15 -3.07 -0.03 0.00 -1.46 0.00 0.00 37.83 33.12 3k4l s LYS 312 CO 0.04 0.61 0.17 0.00 0.16 0.00 0.00 175.35 176.34 3k4l s ALA 313 N -0.59 0.71 0.07 3.13 0.00 -1.26 -1.81 121.76 122.02 3k4l s ALA 313 Ca 0.11 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 3k4l s ALA 313 Cb -0.12 1.09 -0.25 0.00 0.00 0.00 0.00 23.12 23.84 3k4l s ALA 313 CO 0.02 -0.59 1.16 -0.44 0.00 0.00 0.00 175.76 175.91 3k4l h ASP 314 N 2.65 0.90 -3.78 0.00 3.32 -1.09 -3.46 116.42 114.95 3k4l h ASP 314 Ca -0.34 -0.76 -0.51 0.00 0.02 0.00 0.00 57.03 55.45 3k4l h ASP 314 Cb 1.23 -0.28 -0.31 0.00 0.22 0.00 0.00 39.33 40.19 3k4l h ASP 314 CO 0.52 1.56 -0.82 -0.69 -1.72 0.00 0.00 179.24 178.10 3k4l s VAL 315 N -3.20 1.14 -0.17 -1.35 1.01 -0.21 -4.82 120.40 112.80 3k4l s VAL 315 Ca -0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3k4l s VAL 315 Cb 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3k4l s VAL 315 CO 0.93 0.34 -0.15 -0.31 0.00 0.00 0.00 175.10 175.90 3k4l s TYR 316 N 0.21 2.80 -0.17 5.22 1.51 -0.09 -1.31 117.35 125.52 3k4l s TYR 316 Ca -0.05 -1.26 0.00 0.00 -1.01 0.00 0.00 57.07 54.74 3k4l s TYR 316 Cb -0.11 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.81 3k4l s TYR 316 CO 0.02 -0.62 -0.16 0.08 -1.11 0.00 0.00 175.55 173.76 3k4l s VAL 317 N 1.11 2.52 -0.33 0.71 1.01 -0.30 -0.72 120.40 124.39 3k4l s VAL 317 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3k4l s VAL 317 Cb -0.14 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3k4l s VAL 317 CO -0.05 0.51 0.15 -0.76 0.00 0.00 0.00 175.10 174.95 3k4l s LEU 318 N 1.03 4.29 -0.38 3.92 1.43 -0.06 -1.05 118.68 127.86 3k4l s LEU 318 Ca -0.01 -0.83 0.13 0.00 -1.03 0.00 0.00 54.13 52.38 3k4l s LEU 318 Cb -0.15 -1.96 0.41 0.00 0.03 0.00 0.00 46.19 44.52 3k4l s LEU 318 CO -0.04 -0.28 0.91 0.35 0.23 0.00 0.00 176.35 177.52 3k4l n THR 319 N 4.93 1.13 0.49 5.49 -2.24 0.30 -0.83 114.28 123.55 3k4l n THR 319 Ca -0.13 -4.10 0.10 0.00 -2.27 0.00 0.00 64.05 57.65 3k4l n THR 319 Cb 0.47 -0.16 0.26 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.05 2.44 0.00 6.98 0.00 -1.16 -4.24 120.51 124.47 3k4l n ALA 320 Ca 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3k4l n ALA 320 Cb 0.70 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 1.33 0.23 0.36 0.00 0.00 -1.26 -4.21 105.19 101.64 3k4l n GLY 321 Ca 0.18 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 1.51 0.07 4.61 0.00 -1.91 0.47 119.26 124.01 3k4l h ALA 322 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k4l h ALA 322 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3k4l h ALA 322 CO 0.00 0.41 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 3k4l h VAL 323 N 0.99 1.06 0.00 0.00 2.07 -1.95 -3.34 116.25 115.09 3k4l h VAL 323 Ca 0.32 -1.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.24 3k4l h VAL 323 Cb 0.04 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3k4l h VAL 323 CO -0.09 0.32 -0.50 0.45 0.02 0.00 0.00 177.57 177.76 3k4l h HIS 324 N -0.90 0.00 -0.71 1.57 -0.00 -1.69 -1.62 115.15 111.79 3k4l h HIS 324 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 3k4l h HIS 324 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.95 3k4l h HIS 324 CO 0.13 0.50 0.42 -0.91 -0.00 0.00 0.00 177.93 178.08 3k4l h ASN 325 N 0.00 0.66 -0.39 2.45 2.35 -1.09 -1.92 115.58 117.64 3k4l h ASN 325 Ca -0.00 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 3k4l h ASN 325 Cb 1.15 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3k4l h ASN 325 CO 0.06 0.43 -0.22 0.74 -1.65 0.00 0.00 177.43 176.80 3k4l h THR 326 N 0.79 1.27 -0.47 2.81 2.02 -1.56 -1.84 112.91 115.93 3k4l h THR 326 Ca 0.31 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 3k4l h THR 326 Cb 0.13 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3k4l h THR 326 CO -0.16 0.46 0.22 -0.61 0.37 0.00 0.00 175.52 175.80 3k4l h GLN 327 N 0.77 0.69 -0.31 6.66 4.15 -1.09 -0.42 115.11 125.55 3k4l h GLN 327 Ca 0.10 -0.11 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 3k4l h GLN 327 Cb 0.77 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3k4l h GLN 327 CO 0.06 0.59 -0.44 1.25 -1.93 0.00 0.00 178.83 178.37 3k4l h LEU 328 N 0.62 0.87 -0.09 -2.39 5.85 -1.06 0.25 115.31 119.37 3k4l h LEU 328 Ca 0.16 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3k4l h LEU 328 Cb 0.14 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3k4l h LEU 328 CO -0.02 1.18 0.05 -0.07 -0.34 0.00 0.00 178.44 179.24 3k4l h LEU 329 N 0.65 0.11 -1.14 2.25 3.38 -1.07 -1.75 115.31 117.73 3k4l h LEU 329 Ca 0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3k4l h LEU 329 Cb 1.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3k4l h LEU 329 CO 0.10 0.18 0.04 0.58 0.09 0.00 0.00 178.44 179.42 3k4l h VAL 330 N 0.04 1.21 0.00 1.22 2.07 -0.93 -1.26 116.25 118.60 3k4l h VAL 330 Ca 0.03 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3k4l h VAL 330 Cb 0.09 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3k4l h VAL 330 CO -0.00 0.29 0.00 -3.20 0.02 0.00 0.00 177.57 174.67 3k4l n ASN 331 N -4.27 0.33 -0.90 0.57 5.15 0.06 -2.31 115.26 113.90 3k4l n ASN 331 Ca 0.02 0.58 0.08 0.00 -0.60 0.00 0.00 54.58 54.67 3k4l n ASN 331 Cb 0.24 -0.65 0.19 0.00 -0.53 0.00 0.00 39.78 39.03 3k4l n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4l n SER 332 N -1.87 3.16 0.00 1.20 7.64 -0.56 -4.89 113.62 118.31 3k4l n SER 332 Ca 0.03 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.98 3k4l n SER 332 Cb 0.20 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.02 0.80 3.87 0.23 0.00 -0.98 -4.76 105.19 105.38 3k4l n GLY 333 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.13 3.43 0.00 1.61 0.40 -0.72 -4.78 117.98 115.80 3k4l s PHE 334 Ca 0.00 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 3k4l s PHE 334 Cb 0.00 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.17 3k4l s PHE 334 CO 0.00 0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.44 3k4l n GLY 335 N -0.61 2.20 2.90 4.36 0.00 0.33 -4.04 105.19 110.33 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 1.02 0.24 1.61 0.74 -1.26 -4.73 119.66 117.27 3k4l s GLN 336 Ca 0.00 -0.14 -0.24 0.00 0.05 0.00 0.00 55.36 55.03 3k4l s GLN 336 Cb 0.00 -1.03 -0.09 0.00 1.10 0.00 0.00 33.01 33.00 3k4l s GLN 336 CO 0.00 -0.11 0.82 -1.17 -0.55 0.00 0.00 175.29 174.28 3k4l s LEU 337 N 1.10 4.42 0.00 3.68 2.96 -1.26 -4.71 118.68 124.86 3k4l s LEU 337 Ca -0.08 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 3k4l s LEU 337 Cb -0.14 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.89 3k4l s LEU 337 CO -0.01 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3k4l n GLY 338 N 0.91 -2.39 3.70 7.98 0.00 0.18 -4.83 105.19 110.75 3k4l n GLY 338 Ca -0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3k4l n GLY 338 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k4l s ARG 339 N -0.34 4.22 0.11 1.61 3.52 -1.26 -4.49 118.95 122.32 3k4l s ARG 339 Ca 0.00 2.30 -0.36 0.00 -0.13 0.00 0.00 55.73 57.55 3k4l s ARG 339 Cb 0.00 -3.38 -0.16 0.00 -1.56 0.00 0.00 34.95 29.85 3k4l s ARG 339 CO 0.00 -0.65 1.35 -2.30 -0.81 0.00 0.00 175.30 172.89 3k4l n PRO 340 N 4.77 1.30 -3.65 5.12 -0.02 -1.26 -4.94 135.00 136.32 3k4l n PRO 340 Ca 0.14 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 3k4l n PRO 340 Cb 0.40 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.46 3.64 0.00 2.55 2.47 -1.26 -5.01 114.94 117.79 3k4l s ASN 341 Ca 0.82 -2.07 0.20 0.00 0.42 0.00 0.00 52.86 52.22 3k4l s ASN 341 Cb -0.89 -0.79 0.84 0.00 -1.45 0.00 0.00 41.25 38.96 3k4l s ASN 341 CO 0.47 -0.34 1.63 -0.81 -3.72 0.00 0.00 177.10 174.32 3k4l n PRO 342 N 4.25 0.01 0.20 0.43 -0.04 -1.26 -1.47 135.00 137.12 3k4l n PRO 342 Ca 0.04 0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 3k4l n PRO 342 Cb 0.38 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.84 3k4l n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k4l h ALA 343 N 2.68 1.00 -2.07 0.55 0.00 -2.02 -3.31 119.26 116.10 3k4l h ALA 343 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3k4l h ALA 343 Cb 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 3k4l h ALA 343 CO 0.00 0.00 -0.98 -1.71 0.00 0.00 0.00 179.25 176.56 3k4l n ASN 344 N -2.75 1.53 -4.78 0.00 4.05 -0.54 -5.11 115.26 107.66 3k4l n ASN 344 Ca 0.02 -3.03 -0.41 0.00 0.45 0.00 0.00 54.58 51.61 3k4l n ASN 344 Cb 0.35 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.73 3k4l n ASN 344 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3k4l n PRO 345 N 0.84 2.62 -2.33 1.20 -0.02 -1.25 -4.84 135.00 131.23 3k4l n PRO 345 Ca 0.25 0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 62.30 3k4l n PRO 345 Cb 0.52 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 3k4l n PRO 345 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3k4l s PRO 346 N -2.17 3.48 0.04 0.52 0.04 -1.26 -4.97 135.00 130.68 3k4l s PRO 346 Ca 0.54 1.56 0.22 0.00 0.04 0.00 0.00 61.00 63.37 3k4l s PRO 346 Cb -0.47 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 3k4l s PRO 346 CO 0.63 -0.73 0.87 0.39 0.04 0.00 0.00 177.00 178.19 3k4l n GLU 347 N -1.18 0.38 -3.50 4.56 1.02 -1.26 -4.42 120.64 116.24 3k4l n GLU 347 Ca 0.11 -0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 56.83 3k4l n GLU 347 Cb 0.51 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 3k4l n GLU 347 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3k4l s LEU 348 N -4.12 4.12 -1.07 -4.62 2.96 -1.26 -4.67 118.68 110.02 3k4l s LEU 348 Ca 0.01 0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 54.06 3k4l s LEU 348 Cb 0.14 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3k4l s LEU 348 CO 0.84 -0.03 0.77 0.18 -1.32 0.00 0.00 176.35 176.79 3k4l n LEU 349 N 4.53 -3.15 0.30 -0.68 4.77 -1.26 -0.51 117.00 121.00 3k4l n LEU 349 Ca -0.11 -0.92 0.16 0.00 -0.03 0.00 0.00 56.01 55.10 3k4l n LEU 349 Cb 0.51 -2.41 0.95 0.00 -2.33 0.00 0.00 43.42 40.14 3k4l n LEU 349 CO 0.37 0.32 1.13 1.55 -1.33 0.00 0.00 177.39 179.43 3k4l h PRO 350 N -1.52 0.00 -0.00 3.23 0.13 -1.83 -2.20 132.00 129.80 3k4l h PRO 350 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3k4l h PRO 350 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3k4l h PRO 350 CO 0.45 0.00 -0.14 0.43 -0.23 0.00 0.00 178.00 178.52 3k4l n SER 351 N -3.78 0.57 -4.69 1.44 7.64 -1.26 -4.86 113.62 108.68 3k4l n SER 351 Ca -0.03 -0.62 -0.44 0.00 1.01 0.00 0.00 58.87 58.79 3k4l n SER 351 Cb 0.08 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 3k4l n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4l n LEU 352 N -0.90 3.68 0.00 -3.43 7.94 -0.83 -1.96 117.00 121.49 3k4l n LEU 352 Ca 0.14 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 3k4l n LEU 352 Cb 0.29 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.73 3k4l n LEU 352 CO 0.24 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 3k4l n GLY 353 N 3.86 0.64 3.72 -3.96 0.00 -0.23 -4.87 105.19 104.36 3k4l n GLY 353 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.46 4.56 -1.68 1.61 0.01 -0.83 -0.56 113.70 114.35 3k4l s SER 354 Ca 0.00 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.39 3k4l s SER 354 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.59 3k4l s SER 354 CO 0.00 -0.35 0.00 -1.22 0.41 0.00 0.00 173.24 172.08 3k4l n TYR 355 N -1.15 -0.60 -2.03 2.43 4.02 -0.77 -4.62 117.16 114.44 3k4l n TYR 355 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.50 3k4l n TYR 355 Cb 0.62 -3.45 0.02 0.00 -0.02 0.00 0.00 39.34 36.51 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 -2.84 2.63 -0.02 -0.72 -4.36 -0.86 -4.42 121.20 110.61 3k4l s ILE 356 Ca 0.00 0.43 0.03 0.00 -0.26 0.00 0.00 60.65 60.85 3k4l s ILE 356 Cb 0.00 -3.20 -0.00 0.00 1.25 0.00 0.00 42.46 40.51 3k4l s ILE 356 CO 0.00 -0.05 -0.10 0.42 0.24 0.00 0.00 174.94 175.45 3k4l s THR 357 N -1.51 0.83 0.01 8.37 -4.23 -0.30 -4.58 115.64 114.22 3k4l s THR 357 Ca 0.72 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3k4l s THR 357 Cb -0.32 -0.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 3k4l s THR 357 CO 0.37 0.25 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.98 3k4l s GLU 358 N 0.05 0.18 0.29 3.99 2.56 -1.26 -0.34 118.70 124.17 3k4l s GLU 358 Ca -0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 54.97 54.47 3k4l s GLU 358 Cb -0.07 -0.07 -0.09 0.00 2.00 0.00 0.00 34.13 35.89 3k4l s GLU 358 CO 0.00 0.01 0.93 -0.65 -0.56 0.00 0.00 175.26 175.00 3k4l s GLN 359 N -0.45 4.67 0.34 4.30 -0.21 -1.26 -4.54 119.66 122.51 3k4l s GLN 359 Ca -0.04 1.37 -0.28 0.00 0.02 0.00 0.00 55.36 56.43 3k4l s GLN 359 Cb -0.03 -2.97 -0.10 0.00 1.00 0.00 0.00 33.01 30.91 3k4l s GLN 359 CO -0.00 0.37 1.22 -1.12 -2.12 0.00 0.00 175.29 173.64 3k4l s SER 360 N -1.46 6.79 -0.07 5.90 0.01 -1.25 -4.64 113.70 118.97 3k4l s SER 360 Ca 0.47 2.50 0.02 0.00 1.31 0.00 0.00 55.95 60.25 3k4l s SER 360 Cb -0.21 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.40 3k4l s SER 360 CO 0.26 -0.50 -0.11 -0.22 0.41 0.00 0.00 173.24 173.08 3k4l s LEU 361 N -1.94 1.57 0.04 2.44 2.96 -1.26 -0.36 118.68 122.13 3k4l s LEU 361 Ca 0.51 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3k4l s LEU 361 Cb -0.35 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 3k4l s LEU 361 CO 0.46 0.01 -0.16 0.68 -1.32 0.00 0.00 176.35 176.02 3k4l s VAL 362 N 0.84 2.95 0.02 1.68 -7.23 -0.75 -1.04 120.40 116.88 3k4l s VAL 362 Ca -0.11 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3k4l s VAL 362 Cb -0.15 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3k4l s VAL 362 CO 0.02 0.33 -0.04 0.12 -0.31 0.00 0.00 175.10 175.22 3k4l s PHE 363 N -0.95 0.36 0.26 2.82 5.36 -0.25 -1.59 117.98 124.00 3k4l s PHE 363 Ca 0.15 -0.46 -0.16 0.00 -0.96 0.00 0.00 56.93 55.49 3k4l s PHE 363 Cb -0.11 -0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.34 3k4l s PHE 363 CO 0.06 -0.14 0.59 0.00 -1.46 0.00 0.00 175.22 174.27 3k4l s GLN 365 N -3.95 1.61 0.34 0.00 -0.21 -0.67 -0.62 119.66 116.16 3k4l s GLN 365 Ca 0.17 -1.41 0.09 0.00 0.02 0.00 0.00 55.36 54.23 3k4l s GLN 365 Cb -0.03 -1.94 -0.07 0.00 1.00 0.00 0.00 33.01 31.98 3k4l s GLN 365 CO 0.08 0.43 -0.08 0.95 -2.12 0.00 0.00 175.29 174.55 3k4l s THR 366 N -1.49 2.13 -0.20 -0.19 -4.23 0.04 -0.07 115.64 111.64 3k4l s THR 366 Ca 0.20 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3k4l s THR 366 Cb -0.09 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3k4l s THR 366 CO 0.10 -0.19 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.14 3k4l s VAL 367 N -2.68 2.36 0.27 2.29 1.01 0.04 -1.94 120.40 121.75 3k4l s VAL 367 Ca 0.32 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3k4l s VAL 367 Cb 0.03 -2.06 -0.14 0.00 0.00 0.00 0.00 36.38 34.22 3k4l s VAL 367 CO 0.16 0.44 1.25 0.80 0.00 0.00 0.00 175.10 177.75 3k4l n MET 368 N 4.64 1.78 -2.26 2.72 1.56 -0.10 -3.42 117.12 122.03 3k4l n MET 368 Ca -0.20 0.63 -0.36 0.00 -0.27 0.00 0.00 57.70 57.51 3k4l n MET 368 Cb 0.49 -2.18 -0.00 0.00 2.15 0.00 0.00 33.22 33.68 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 -0.10 5.85 0.27 6.12 1.04 -0.24 -4.87 113.70 121.77 3k4l s SER 369 Ca 0.63 2.21 -0.00 0.00 0.48 0.00 0.00 55.95 59.27 3k4l s SER 369 Cb -0.67 -2.59 0.57 0.00 0.10 0.00 0.00 66.02 63.43 3k4l s SER 369 CO 0.56 -1.13 1.74 0.74 0.98 0.00 0.00 173.24 176.13 3k4l h THR 370 N 1.39 0.66 -0.22 2.02 2.02 -1.91 -1.45 112.91 115.43 3k4l h THR 370 Ca -0.50 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.52 3k4l h THR 370 Cb 1.26 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3k4l h THR 370 CO 0.58 0.10 0.06 -0.33 0.37 0.00 0.00 175.52 176.29 3k4l h GLU 371 N 0.54 0.14 -0.62 6.66 5.08 -1.96 0.35 114.58 124.77 3k4l h GLU 371 Ca 0.48 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 3k4l h GLU 371 Cb 0.74 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3k4l h GLU 371 CO -0.41 0.10 0.34 -0.07 -1.00 0.00 0.00 179.01 177.97 3k4l h LEU 372 N 0.15 0.78 -0.64 1.33 3.38 -1.78 -1.09 115.31 117.44 3k4l h LEU 372 Ca 0.10 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3k4l h LEU 372 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3k4l h LEU 372 CO -0.12 0.65 0.08 0.40 0.09 0.00 0.00 178.44 179.55 3k4l h ILE 373 N 0.85 1.26 -0.29 1.22 1.08 -0.89 -1.81 117.51 118.94 3k4l h ILE 373 Ca 0.22 -1.05 -0.05 0.00 -0.39 0.00 0.00 64.86 63.59 3k4l h ILE 373 Cb 0.04 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3k4l h ILE 373 CO -0.04 0.39 -0.03 0.44 -0.69 0.00 0.00 178.15 178.23 3k4l h ASP 374 N 0.99 0.42 0.21 1.72 3.32 -0.81 -2.21 116.42 120.06 3k4l h ASP 374 Ca 0.19 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3k4l h ASP 374 Cb 0.46 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3k4l h ASP 374 CO 0.02 0.51 -0.15 0.77 -1.72 0.00 0.00 179.24 178.66 3k4l h SER 375 N 0.43 0.00 -0.67 6.45 4.64 -0.32 -2.47 113.55 121.61 3k4l h SER 375 Ca 0.09 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.53 3k4l h SER 375 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3k4l h SER 375 CO 0.01 0.15 0.45 0.58 -0.87 0.00 0.00 176.83 177.15 3k4l h VAL 376 N 0.00 0.87 -0.48 0.95 2.07 -1.16 -2.34 116.25 116.16 3k4l h VAL 376 Ca -0.00 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3k4l h VAL 376 Cb 0.30 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3k4l h VAL 376 CO 0.02 0.08 0.09 2.29 0.02 0.00 0.00 177.57 180.07 3k4l n LYS 377 N -4.48 3.23 0.28 1.57 2.85 -0.93 -4.70 118.16 115.97 3k4l n LYS 377 Ca 0.12 -3.02 0.14 0.00 -1.05 0.00 0.00 58.31 54.49 3k4l n LYS 377 Cb 0.42 -2.02 0.80 0.00 -0.65 0.00 0.00 35.03 33.58 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 2.19 0.00 0.42 -5.58 4.64 -1.41 -1.39 113.55 112.42 3k4l h SER 378 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3k4l h SER 378 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3k4l h SER 378 CO 0.46 0.08 -0.28 0.47 -0.87 0.00 0.00 176.83 176.69 3k4l n ASP 379 N -3.65 0.63 -4.81 4.97 8.00 -1.26 -4.92 116.55 115.50 3k4l n ASP 379 Ca -0.02 -0.48 -0.36 0.00 0.71 0.00 0.00 54.79 54.64 3k4l n ASP 379 Cb 0.19 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.71 4.31 -0.33 -1.24 -1.94 -0.52 -4.58 119.30 112.28 3k4l s MET 380 Ca 0.20 0.95 -0.11 0.00 -1.71 0.00 0.00 55.69 55.02 3k4l s MET 380 Cb 0.19 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 34.16 3k4l s MET 380 CO 0.57 0.38 0.18 0.99 -0.01 0.00 0.00 175.02 177.13 3k4l s THR 381 N -1.53 4.72 -0.19 2.05 2.01 0.19 -4.95 115.64 117.95 3k4l s THR 381 Ca 0.44 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 3k4l s THR 381 Cb -0.17 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3k4l s THR 381 CO 0.21 -0.03 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.36 3k4l s ILE 382 N 1.62 2.70 0.07 1.82 1.01 -1.26 -1.47 121.20 125.68 3k4l s ILE 382 Ca 0.04 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.03 3k4l s ILE 382 Cb -0.18 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3k4l s ILE 382 CO 0.07 0.49 -0.19 -0.13 0.00 0.00 0.00 174.94 175.18 3k4l s ARG 383 N 1.24 1.14 0.88 2.79 0.52 -0.46 -5.00 118.95 120.06 3k4l s ARG 383 Ca 0.03 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 3k4l s ARG 383 Cb -0.14 -1.27 0.00 0.00 0.52 0.00 0.00 34.95 34.06 3k4l s ARG 383 CO -0.06 0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.98 3k4l n GLY 384 N 1.54 -2.04 3.32 -3.53 0.00 -1.26 -1.29 105.19 101.93 3k4l n GLY 384 Ca -0.19 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 2.74 0.26 2.61 -4.23 -1.26 -4.92 115.64 110.85 3k4l s THR 385 Ca 0.00 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3k4l s THR 385 Cb 0.00 -2.13 -0.14 0.00 1.34 0.00 0.00 72.50 71.58 3k4l s THR 385 CO 0.00 0.54 1.25 -2.65 -0.54 0.00 0.00 174.62 173.22 3k4l n PRO 386 N 3.53 1.75 0.00 3.99 -0.02 -1.26 -1.77 135.00 141.22 3k4l n PRO 386 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3k4l n PRO 386 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.64 0.69 3.88 -1.23 0.00 -1.26 -5.00 105.19 103.91 3k4l n GLY 387 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.83 3.06 0.35 1.61 2.02 -0.73 -5.02 118.70 119.16 3k4l s GLU 388 Ca 0.00 -0.99 0.14 0.00 0.02 0.00 0.00 54.97 54.13 3k4l s GLU 388 Cb 0.00 -2.66 1.01 0.00 0.10 0.00 0.00 34.13 32.58 3k4l s GLU 388 CO 0.00 0.36 1.72 -0.07 0.02 0.00 0.00 175.26 177.29 3k4l h LEU 389 N 1.34 0.56 -0.53 1.80 3.38 -1.97 -2.58 115.31 117.32 3k4l h LEU 389 Ca -0.49 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3k4l h LEU 389 Cb 1.24 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3k4l h LEU 389 CO 0.60 0.04 -0.14 0.35 0.09 0.00 0.00 178.44 179.38 3k4l n THR 390 N -4.84 0.00 -2.54 0.22 -2.24 -1.26 -4.94 114.28 98.68 3k4l n THR 390 Ca 0.28 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 3k4l n THR 390 Cb 0.86 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.34 3.62 -0.01 4.78 5.04 -0.98 -4.51 117.35 122.95 3k4l s TYR 391 Ca 0.30 1.63 -0.13 0.00 -2.44 0.00 0.00 57.07 56.44 3k4l s TYR 391 Cb 0.20 -3.25 0.02 0.00 0.35 0.00 0.00 41.96 39.28 3k4l s TYR 391 CO 0.45 -0.50 0.26 -1.54 -1.34 0.00 0.00 175.55 172.88 3k4l s SER 392 N -0.20 -0.13 -0.09 4.32 1.04 -0.41 -5.00 113.70 113.22 3k4l s SER 392 Ca 0.49 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.93 3k4l s SER 392 Cb -0.29 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.14 3k4l s SER 392 CO 0.35 -0.42 -0.07 -0.69 0.98 0.00 0.00 173.24 173.39 3k4l s VAL 393 N -1.30 0.93 0.07 5.02 1.01 -1.26 -1.36 120.40 123.51 3k4l s VAL 393 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3k4l s VAL 393 Cb -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3k4l s VAL 393 CO 0.03 0.34 -0.05 0.42 0.00 0.00 0.00 175.10 175.85 3k4l s THR 394 N 1.49 0.41 0.07 3.92 -4.23 -0.54 -4.97 115.64 111.80 3k4l s THR 394 Ca 0.00 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 3k4l s THR 394 Cb -0.13 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 3k4l s THR 394 CO -0.05 -0.88 0.06 -0.72 -0.54 0.00 0.00 174.62 172.48 3k4l s TYR 395 N -3.49 0.41 -0.45 3.99 1.13 -1.26 0.56 117.35 118.23 3k4l s TYR 395 Ca 0.06 -0.91 -0.21 0.00 -1.41 0.00 0.00 57.07 54.61 3k4l s TYR 395 Cb 0.05 -0.27 0.03 0.00 -1.10 0.00 0.00 41.96 40.66 3k4l s TYR 395 CO -0.07 -0.45 0.67 0.99 -2.51 0.00 0.00 175.55 174.18 3k4l s THR 396 N -3.91 4.79 0.25 -3.49 2.01 -1.26 -5.05 115.64 108.98 3k4l s THR 396 Ca 0.07 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 3k4l s THR 396 Cb 0.07 -4.24 -0.12 0.00 0.01 0.00 0.00 72.50 68.21 3k4l s THR 396 CO -0.10 -0.65 1.57 -2.65 -0.69 0.00 0.00 174.62 172.11 3k4l n PRO 397 N 6.36 2.48 -0.87 4.92 -0.02 -1.26 -3.06 135.00 143.54 3k4l n PRO 397 Ca -0.01 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3k4l n PRO 397 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3k4l n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4l n GLY 398 N 2.65 0.54 3.73 -1.23 0.00 -1.26 -4.98 105.19 104.65 3k4l n GLY 398 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.54 3.82 0.37 4.61 0.00 -1.17 -4.86 121.76 121.98 3k4l s ALA 399 Ca 0.00 1.53 0.30 0.00 0.00 0.00 0.00 51.96 53.78 3k4l s ALA 399 Cb 0.00 -3.66 1.49 0.00 0.00 0.00 0.00 23.12 20.96 3k4l s ALA 399 CO 0.00 -0.91 2.07 0.66 0.00 0.00 0.00 175.76 177.58 3k4l h SER 400 N 5.95 0.00 0.24 0.00 4.64 -1.93 -2.00 113.55 120.45 3k4l h SER 400 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 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 0.10 -0.07 0.35 -0.87 0.00 0.00 176.83 177.21 3k4l n THR 401 N -3.47 0.00 -2.11 2.95 -2.24 -1.26 -4.86 114.28 103.29 3k4l n THR 401 Ca -0.01 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3k4l n THR 401 Cb 0.25 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.32 5.87 0.24 3.42 0.01 -0.75 -4.94 114.94 116.47 3k4l s ASN 402 Ca 0.34 2.44 0.16 0.00 -0.71 0.00 0.00 52.86 55.08 3k4l s ASN 402 Cb 0.21 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.29 3k4l s ASN 402 CO 0.43 -1.14 1.30 0.11 -1.51 0.00 0.00 177.10 176.30 3k4l h LYS 403 N 1.82 0.00 -6.58 -0.60 1.79 -1.89 -3.47 116.57 107.64 3k4l h LYS 403 Ca -0.50 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.32 3k4l h LYS 403 Cb 1.26 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.73 3k4l h LYS 403 CO 0.59 0.39 -0.81 -1.01 -1.08 0.00 0.00 179.45 177.53 3k4l s HIS 404 N -2.99 2.32 0.87 -1.35 3.76 -1.26 -5.13 115.29 111.50 3k4l s HIS 404 Ca 0.03 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.47 3k4l s HIS 404 Cb 0.08 -1.14 0.11 0.00 1.11 0.00 0.00 32.58 32.74 3k4l s HIS 404 CO 0.76 0.51 1.10 -1.25 -0.85 0.00 0.00 174.74 175.01 3k4l s PRO 405 N -2.73 1.49 0.30 8.40 0.04 -1.26 -4.80 135.00 136.44 3k4l s PRO 405 Ca 0.22 0.69 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 3k4l s PRO 405 Cb -0.08 -1.85 0.51 0.00 0.04 0.00 0.00 34.50 33.12 3k4l s PRO 405 CO 0.10 -2.05 1.93 -0.44 0.04 0.00 0.00 177.00 176.59 3k4l h ASP 406 N -1.40 0.92 -0.93 6.66 3.32 -1.99 -1.85 116.42 121.15 3k4l h ASP 406 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3k4l h ASP 406 Cb 1.29 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 3k4l h ASP 406 CO 0.57 0.61 0.59 4.11 -1.72 0.00 0.00 179.24 183.40 3k4l h TRP 407 N 1.05 1.20 0.26 4.55 5.08 -1.99 0.11 115.95 126.21 3k4l h TRP 407 Ca 0.36 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.33 3k4l h TRP 407 Cb 0.10 -0.40 0.00 0.00 -3.00 0.00 0.00 29.16 25.87 3k4l h TRP 407 CO -0.00 0.77 -0.13 2.35 -1.28 0.00 0.00 178.44 180.16 3k4l h TRP 408 N 1.27 -0.32 -0.08 0.12 2.91 -1.74 -2.38 115.95 115.73 3k4l h TRP 408 Ca 0.34 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.30 3k4l h TRP 408 Cb -0.10 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3k4l h TRP 408 CO 0.00 -0.05 -0.20 -0.91 -1.03 0.00 0.00 178.44 176.25 3k4l h ASN 409 N -0.58 0.12 -0.45 2.65 2.35 -1.04 -0.84 115.58 117.77 3k4l h ASN 409 Ca -0.04 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3k4l h ASN 409 Cb 0.42 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3k4l h ASN 409 CO 0.06 0.33 -0.12 -0.08 -1.65 0.00 0.00 177.43 175.97 3k4l h GLU 410 N 0.12 0.88 -0.48 0.81 4.57 -0.76 -0.08 114.58 119.63 3k4l h GLU 410 Ca 0.02 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 3k4l h GLU 410 Cb 0.43 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3k4l h GLU 410 CO 0.03 0.98 0.19 0.87 -1.18 0.00 0.00 179.01 179.90 3k4l h LYS 411 N 0.71 0.72 -0.04 1.92 1.57 -0.86 -0.59 116.57 120.01 3k4l h LYS 411 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3k4l h LYS 411 Cb 0.66 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3k4l h LYS 411 CO 0.05 0.65 -0.02 0.28 -0.57 0.00 0.00 179.45 179.83 3k4l h VAL 412 N 0.64 1.34 -0.30 0.50 2.07 -1.08 -0.68 116.25 118.75 3k4l h VAL 412 Ca 0.16 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3k4l h VAL 412 Cb 0.19 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3k4l h VAL 412 CO -0.01 0.28 -0.02 0.50 0.02 0.00 0.00 177.57 178.34 3k4l h LYS 413 N -0.34 0.06 -0.65 1.57 3.64 -0.98 -0.56 116.57 119.31 3k4l h LYS 413 Ca 0.01 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3k4l h LYS 413 Cb 0.47 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3k4l h LYS 413 CO 0.01 0.04 0.18 -0.91 -2.27 0.00 0.00 179.45 176.50 3k4l h ASN 414 N 0.06 0.94 0.00 4.20 2.35 -1.05 -0.63 115.58 121.44 3k4l h ASN 414 Ca 0.14 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3k4l h ASN 414 Cb 0.20 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3k4l h ASN 414 CO -0.26 0.89 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.67 3k4l h HIS 415 N 0.97 -0.01 -0.36 1.19 2.76 -0.84 0.46 115.15 119.31 3k4l h HIS 415 Ca 0.21 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3k4l h HIS 415 Cb 0.30 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3k4l h HIS 415 CO 0.02 0.09 0.11 0.52 -1.30 0.00 0.00 177.93 177.37 3k4l h MET 416 N -0.10 0.52 0.09 5.26 2.86 -0.84 -0.79 114.93 121.93 3k4l h MET 416 Ca -0.00 -0.08 -0.30 0.00 -2.06 0.00 0.00 59.70 57.26 3k4l h MET 416 Cb 0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3k4l h MET 416 CO 0.00 0.47 -1.56 0.52 1.06 0.00 0.00 176.91 177.40 3k4l h MET 417 N 0.52 0.20 0.00 1.72 2.07 -0.98 -3.34 114.93 115.12 3k4l h MET 417 Ca 0.12 -0.34 0.00 0.00 -2.07 0.00 0.00 59.70 57.42 3k4l h MET 417 Cb 0.17 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 3k4l h MET 417 CO -0.01 1.03 -0.54 1.96 1.07 0.00 0.00 176.91 180.42 3k4l h GLN 418 N 0.05 0.00 -2.10 1.72 4.20 -0.79 -3.39 115.11 114.81 3k4l h GLN 418 Ca -0.25 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.92 3k4l h GLN 418 Cb 2.00 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.37 3k4l h GLN 418 CO 0.14 0.00 -0.95 0.72 -0.67 0.00 0.00 178.83 178.07 3k4l n HIS 419 N -2.28 1.53 0.51 2.96 8.25 -0.31 -4.94 115.22 120.93 3k4l n HIS 419 Ca 0.03 -3.86 0.12 0.00 -0.26 0.00 0.00 57.72 53.75 3k4l n HIS 419 Cb 0.46 -0.44 0.45 0.00 1.12 0.00 0.00 29.99 31.58 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 0.49 0.17 0.06 -0.41 6.02 -1.25 -1.60 117.38 120.85 3k4l n GLN 420 Ca 0.26 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.69 3k4l n GLN 420 Cb 0.53 -1.77 0.47 0.00 1.02 0.00 0.00 30.24 30.48 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 -2.08 0.12 -3.80 -1.09 0.00 -1.26 -4.56 120.64 107.97 3k4l n GLU 421 Ca 0.03 0.20 -0.35 0.00 0.00 0.00 0.00 57.16 57.05 3k4l n GLU 421 Cb 0.27 -1.67 -0.09 0.00 0.00 0.00 0.00 31.44 29.96 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 -3.71 6.04 0.00 -1.84 2.15 -0.63 -4.99 116.67 113.69 3k4l s ASP 422 Ca 0.10 0.17 0.27 0.00 0.43 0.00 0.00 52.55 53.52 3k4l s ASP 422 Cb 0.13 -2.06 1.12 0.00 -0.30 0.00 0.00 42.92 41.81 3k4l s ASP 422 CO 0.47 0.17 1.78 -0.81 -0.17 0.00 0.00 175.17 176.60 3k4l n PRO 423 N 3.61 1.56 -4.10 4.34 -0.04 -1.26 -4.87 135.00 134.24 3k4l n PRO 423 Ca -0.16 -0.82 -0.31 0.00 -0.04 0.00 0.00 63.50 62.17 3k4l n PRO 423 Cb 0.52 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.91 3.71 0.00 1.53 1.43 -1.26 -5.02 118.68 117.16 3k4l s LEU 424 Ca 0.38 -0.02 0.29 0.00 -1.03 0.00 0.00 54.13 53.74 3k4l s LEU 424 Cb 0.20 -2.34 1.20 0.00 0.03 0.00 0.00 46.19 45.28 3k4l s LEU 424 CO 0.32 0.20 1.84 -0.81 0.23 0.00 0.00 176.35 178.13 3k4l n PRO 425 N 0.69 0.94 -3.21 1.29 -0.04 -1.26 -4.83 135.00 128.58 3k4l n PRO 425 Ca -0.10 -0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 62.58 3k4l n PRO 425 Cb 0.52 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.33 5.11 0.69 0.52 1.01 -1.26 -4.59 121.20 120.36 3k4l s ILE 426 Ca 0.32 1.11 -0.17 0.00 0.00 0.00 0.00 60.65 61.91 3k4l s ILE 426 Cb 0.20 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.79 3k4l s ILE 426 CO 0.44 0.24 1.26 -2.84 0.00 0.00 0.00 174.94 174.05 3k4l s PRO 427 N 1.07 2.31 0.26 2.79 0.02 -1.26 -4.92 135.00 135.27 3k4l s PRO 427 Ca 0.29 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.23 3k4l s PRO 427 Cb -0.16 -1.83 0.33 0.00 0.02 0.00 0.00 34.50 32.86 3k4l s PRO 427 CO 0.12 -1.75 1.79 0.74 -0.33 0.00 0.00 177.00 177.56 3k4l h PHE 428 N 0.14 0.91 -0.59 6.54 0.04 -1.98 -2.80 116.94 119.20 3k4l h PHE 428 Ca -0.49 -0.10 -0.23 0.00 2.80 0.00 0.00 57.97 59.94 3k4l h PHE 428 Cb 1.32 -0.26 -0.14 0.00 2.20 0.00 0.00 35.95 39.07 3k4l h PHE 428 CO 0.43 0.78 0.30 0.39 -0.60 0.00 0.00 178.31 179.61 3k4l n GLU 429 N -4.25 2.51 -2.06 1.51 1.02 -1.26 -4.95 120.64 113.16 3k4l n GLU 429 Ca 0.04 -2.12 -0.42 0.00 -0.02 0.00 0.00 57.16 54.64 3k4l n GLU 429 Cb 0.25 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 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 -0.57 6.71 0.90 1.62 2.15 -1.06 -4.93 116.67 121.49 3k4l s ASP 430 Ca 0.39 2.43 -0.10 0.00 0.43 0.00 0.00 52.55 55.69 3k4l s ASP 430 Cb 0.32 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.49 3k4l s ASP 430 CO 0.09 -0.75 1.13 -2.84 -0.17 0.00 0.00 175.17 172.63 3k4l s PRO 431 N 1.49 1.16 0.64 4.34 0.02 -1.26 -4.99 135.00 136.40 3k4l s PRO 431 Ca 0.68 1.44 -0.11 0.00 0.02 0.00 0.00 61.00 63.03 3k4l s PRO 431 Cb -0.39 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3k4l s PRO 431 CO 0.30 -2.50 1.04 -1.83 -0.33 0.00 0.00 177.00 173.69 3k4l s GLU 432 N -4.69 3.38 0.50 5.54 1.03 -1.26 -4.54 118.70 118.66 3k4l s GLU 432 Ca 0.66 0.76 -0.21 0.00 0.03 0.00 0.00 54.97 56.21 3k4l s GLU 432 Cb -0.22 -2.05 -0.07 0.00 -0.80 0.00 0.00 34.13 30.99 3k4l s GLU 432 CO 0.58 -0.73 1.11 -1.25 -1.33 0.00 0.00 175.26 173.64 3k4l s PRO 433 N -5.17 3.59 -0.40 -4.83 0.04 -1.26 -4.59 135.00 122.39 3k4l s PRO 433 Ca 0.56 1.59 0.09 0.00 0.04 0.00 0.00 61.00 63.28 3k4l s PRO 433 Cb -0.12 -2.15 0.28 0.00 0.04 0.00 0.00 34.50 32.55 3k4l s PRO 433 CO 0.54 -0.65 0.65 1.04 0.04 0.00 0.00 177.00 178.62 3k4l n GLN 434 N -0.96 0.79 -4.26 4.56 1.13 -1.25 -2.91 117.38 114.48 3k4l n GLN 434 Ca 0.10 -3.00 -0.32 0.00 -1.94 0.00 0.00 57.00 51.84 3k4l n GLN 434 Cb 0.50 -1.35 -0.09 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.15 4.07 -0.00 5.09 1.01 0.23 -0.82 120.40 128.83 3k4l s VAL 435 Ca 0.35 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3k4l s VAL 435 Cb 0.23 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 3k4l s VAL 435 CO -0.12 0.31 0.06 0.28 0.00 0.00 0.00 175.10 175.64 3k4l s THR 436 N -1.13 0.07 -0.24 3.92 -1.32 0.05 -0.27 115.64 116.71 3k4l s THR 436 Ca 0.21 -0.57 -0.03 0.00 -1.21 0.00 0.00 61.69 60.09 3k4l s THR 436 Cb -0.12 -0.28 0.01 0.00 -1.51 0.00 0.00 72.50 70.61 3k4l s THR 436 CO 0.12 -0.31 -0.04 0.28 -2.21 0.00 0.00 174.62 172.46 3k4l s THR 437 N -0.99 3.20 0.62 5.08 -1.32 -1.26 -0.86 115.64 120.11 3k4l s THR 437 Ca -0.11 -0.75 -0.15 0.00 -1.21 0.00 0.00 61.69 59.47 3k4l s THR 437 Cb -0.06 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.36 3k4l s THR 437 CO 0.00 0.29 1.07 -0.76 -2.21 0.00 0.00 174.62 173.02 3k4l s LEU 438 N 1.41 3.45 0.11 9.08 1.43 -1.26 -3.78 118.68 129.13 3k4l s LEU 438 Ca 0.03 1.87 -0.35 0.00 -1.03 0.00 0.00 54.13 54.65 3k4l s LEU 438 Cb -0.16 -4.54 -0.17 0.00 0.03 0.00 0.00 46.19 41.35 3k4l s LEU 438 CO -0.03 -1.32 1.05 0.33 0.23 0.00 0.00 176.35 176.61 3k4l n PHE 439 N -2.19 0.84 -4.09 0.29 -0.00 -1.20 -4.96 117.46 106.15 3k4l n PHE 439 Ca 0.09 0.83 -0.08 0.00 -0.00 0.00 0.00 57.45 58.30 3k4l n PHE 439 Cb 0.53 -2.18 -0.10 0.00 -0.00 0.00 0.00 39.48 37.73 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 -0.26 0.68 0.37 -4.13 -1.52 -0.93 -4.93 119.66 108.94 3k4l s GLN 440 Ca 0.78 -1.25 0.12 0.00 -1.95 0.00 0.00 55.36 53.07 3k4l s GLN 440 Cb -1.00 0.22 0.92 0.00 -0.22 0.00 0.00 33.01 32.94 3k4l s GLN 440 CO 0.54 -0.15 1.82 -1.35 -0.25 0.00 0.00 175.29 175.90 3k4l h PRO 441 N 3.07 0.56 0.00 2.91 0.11 -1.98 0.30 132.00 136.97 3k4l h PRO 441 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3k4l h PRO 441 Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3k4l h PRO 441 CO 0.64 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.46 3k4l h SER 442 N 0.58 0.00 -1.75 -2.05 4.64 -2.00 -3.36 113.55 109.61 3k4l h SER 442 Ca 0.52 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.34 3k4l h SER 442 Cb 1.04 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.79 3k4l h SER 442 CO -0.26 0.00 -0.96 0.00 -0.87 0.00 0.00 176.83 174.74 3k4l n HIS 443 N -2.31 -1.13 -1.03 4.77 1.44 0.90 -5.04 115.22 112.83 3k4l n HIS 443 Ca 0.05 -3.12 -0.28 0.00 -2.01 0.00 0.00 57.72 52.36 3k4l n HIS 443 Cb 0.43 0.17 -0.04 0.00 0.12 0.00 0.00 29.99 30.66 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 1.88 2.79 -3.88 -1.40 -0.04 -0.35 -2.19 135.00 131.82 3k4l n PRO 444 Ca 0.21 -1.71 -0.10 0.00 -0.04 0.00 0.00 63.50 61.86 3k4l n PRO 444 Cb 0.53 -2.53 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.47 0.09 0.36 0.54 -2.14 -1.26 -4.26 118.94 114.74 3k4l s TRP 445 Ca 0.57 -0.27 -0.16 0.00 2.66 0.00 0.00 56.10 58.89 3k4l s TRP 445 Cb 0.17 -0.07 -0.09 0.00 -3.10 0.00 0.00 33.47 30.38 3k4l s TRP 445 CO -0.04 -0.35 0.80 -1.58 -2.66 0.00 0.00 176.95 173.11 3k4l s HIS 446 N -2.08 3.36 0.02 1.66 5.65 -0.34 -3.26 115.29 120.31 3k4l s HIS 446 Ca -0.09 1.32 0.05 0.00 0.25 0.00 0.00 55.06 56.58 3k4l s HIS 446 Cb -0.04 -2.62 -0.02 0.00 -1.18 0.00 0.00 32.58 28.72 3k4l s HIS 446 CO -0.02 0.02 -0.14 0.95 -0.65 0.00 0.00 174.74 174.91 3k4l s THR 447 N -2.06 1.09 -0.05 0.89 -4.23 -1.25 -0.51 115.64 109.53 3k4l s THR 447 Ca 0.56 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3k4l s THR 447 Cb -0.10 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.80 3k4l s THR 447 CO 0.17 0.13 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.23 3k4l s GLN 448 N -0.80 0.90 -0.34 3.99 -0.21 0.33 -4.34 119.66 119.18 3k4l s GLN 448 Ca 0.03 -0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.31 3k4l s GLN 448 Cb -0.07 -0.93 0.11 0.00 1.00 0.00 0.00 33.01 33.12 3k4l s GLN 448 CO 0.01 -0.11 0.12 0.42 -2.12 0.00 0.00 175.29 173.61 3k4l s ILE 449 N 1.05 1.32 0.09 1.08 1.01 0.63 -0.85 121.20 125.53 3k4l s ILE 449 Ca -0.09 -1.86 -0.07 0.00 0.00 0.00 0.00 60.65 58.62 3k4l s ILE 449 Cb -0.14 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.38 3k4l s ILE 449 CO -0.01 -0.70 0.36 0.00 0.00 0.00 0.00 174.94 174.59 3k4l n HIS 450 N 4.44 -1.01 -3.98 3.97 1.44 -0.32 -0.60 115.22 119.16 3k4l n HIS 450 Ca 0.01 -0.52 -0.30 0.00 -2.01 0.00 0.00 57.72 54.91 3k4l n HIS 450 Cb 0.40 0.25 -0.16 0.00 0.12 0.00 0.00 29.99 30.61 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 -2.02 1.98 -0.03 -1.40 1.81 -1.15 -0.37 118.95 117.77 3k4l s ARG 451 Ca 0.08 -0.70 -0.02 0.00 -1.72 0.00 0.00 55.73 53.38 3k4l s ARG 451 Cb -0.01 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 3k4l s ARG 451 CO 0.03 -0.38 0.10 0.34 -0.68 0.00 0.00 175.30 174.71 3k4l s ASP 452 N 1.47 5.82 0.04 0.23 -1.08 -1.26 -4.99 116.67 116.91 3k4l s ASP 452 Ca 0.01 0.22 -0.33 0.00 -0.52 0.00 0.00 52.55 51.92 3k4l s ASP 452 Cb -0.15 -1.72 -0.19 0.00 -1.46 0.00 0.00 42.92 39.40 3k4l s ASP 452 CO -0.09 0.30 1.39 0.00 0.52 0.00 0.00 175.17 177.29 3k4l h ALA 453 N 4.26 -1.20 0.00 3.66 0.00 -1.98 -3.51 119.26 120.49 3k4l h ALA 453 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3k4l h ALA 453 Cb 1.19 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3k4l h ALA 453 CO 0.62 -1.11 0.09 -1.71 0.00 0.00 0.00 179.25 177.14 3k4l n ASN 454 N -5.57 0.00 0.00 0.00 5.15 -1.26 -4.65 115.26 108.93 3k4l n ASN 454 Ca -0.15 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 3k4l n ASN 454 Cb 0.47 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 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 2.72 0.00 0.10 1.20 6.02 -1.26 -4.97 117.38 121.19 3k4l n GLN 461 Ca 0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.95 3k4l n GLN 461 Cb 0.00 -0.10 0.02 0.00 1.02 0.00 0.00 30.24 31.17 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 0.00 -3.12 1.08 0.87 -2.07 -3.45 113.55 106.86 3k4l h SER 462 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 3k4l h SER 462 Cb 0.53 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.40 3k4l h SER 462 CO 0.00 0.78 -0.35 -0.63 -0.53 0.00 0.00 176.83 176.10 3k4l s ILE 463 N -3.07 5.30 0.16 2.23 -1.09 -1.26 -5.03 121.20 118.44 3k4l s ILE 463 Ca 0.01 0.51 -0.33 0.00 -2.23 0.00 0.00 60.65 58.60 3k4l s ILE 463 Cb 0.11 -3.59 -0.13 0.00 -1.58 0.00 0.00 42.46 37.26 3k4l s ILE 463 CO 0.78 0.47 1.63 -0.67 -1.23 0.00 0.00 174.94 175.92 3k4l n ASP 464 N 2.96 3.31 0.29 3.58 -0.08 -1.26 -4.85 116.55 120.50 3k4l n ASP 464 Ca -0.14 1.07 0.14 0.00 -1.51 0.00 0.00 54.79 54.35 3k4l n ASP 464 Cb 0.53 -1.46 0.88 0.00 2.34 0.00 0.00 41.12 43.41 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 6.31 0.00 0.12 1.67 4.64 -1.95 -1.10 113.55 123.24 3k4l h SER 465 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3k4l h SER 465 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3k4l h SER 465 CO 0.91 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.90 3k4l h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.97 -2.09 114.38 118.17 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3k4l h ARG 466 CO -0.00 0.00 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.21 3k4l h LEU 467 N 0.00 0.00 -9.43 3.04 3.38 -1.56 -3.48 115.31 107.27 3k4l h LEU 467 Ca 0.00 -0.19 -0.58 0.00 0.09 0.00 0.00 57.88 57.20 3k4l h LEU 467 Cb 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3k4l h LEU 467 CO 0.00 0.09 -0.14 -0.63 0.09 0.00 0.00 178.44 177.85 3k4l s ILE 468 N -3.18 5.11 -0.04 1.22 1.01 -0.79 -0.93 121.20 123.61 3k4l s ILE 468 Ca 0.06 0.96 0.02 0.00 0.00 0.00 0.00 60.65 61.69 3k4l s ILE 468 Cb 0.13 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.80 3k4l s ILE 468 CO 0.72 0.39 -0.08 -0.69 0.00 0.00 0.00 174.94 175.28 3k4l s VAL 469 N 0.15 0.76 0.21 2.92 1.01 -0.82 -4.94 120.40 119.70 3k4l s VAL 469 Ca 0.26 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3k4l s VAL 469 Cb -0.16 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.44 3k4l s VAL 469 CO 0.12 0.25 0.62 -1.81 0.00 0.00 0.00 175.10 174.28 3k4l s ASP 470 N 0.48 6.82 -0.12 3.32 1.11 0.50 -0.78 116.67 128.00 3k4l s ASP 470 Ca -0.08 1.15 0.00 0.00 0.18 0.00 0.00 52.55 53.80 3k4l s ASP 470 Cb -0.11 -2.31 0.02 0.00 1.07 0.00 0.00 42.92 41.58 3k4l s ASP 470 CO 0.01 0.00 -0.11 0.26 1.18 0.00 0.00 175.17 176.51 3k4l s TRP 471 N -1.64 1.76 -0.10 4.23 0.52 0.21 -1.17 118.94 122.75 3k4l s TRP 471 Ca 0.44 -0.91 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 3k4l s TRP 471 Cb -0.14 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 3k4l s TRP 471 CO 0.20 -0.55 -0.07 1.03 0.02 0.00 0.00 176.95 177.58 3k4l s ARG 472 N 1.51 1.33 -0.09 4.98 0.52 -0.03 -2.03 118.95 125.13 3k4l s ARG 472 Ca 0.03 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3k4l s ARG 472 Cb -0.13 -1.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.92 3k4l s ARG 472 CO -0.08 -0.23 -0.14 -0.06 0.02 0.00 0.00 175.30 174.81 3k4l s PHE 473 N 1.58 2.75 -0.19 -0.53 0.40 -0.62 -0.51 117.98 120.85 3k4l s PHE 473 Ca 0.02 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 3k4l s PHE 473 Cb -0.13 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.69 3k4l s PHE 473 CO -0.06 -0.02 -0.17 -0.06 0.70 0.00 0.00 175.22 175.61 3k4l s PHE 474 N -0.20 2.86 0.38 0.36 0.40 0.34 -1.81 117.98 120.31 3k4l s PHE 474 Ca 0.00 -1.68 -0.03 0.00 -0.60 0.00 0.00 56.93 54.63 3k4l s PHE 474 Cb -0.13 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 3k4l s PHE 474 CO 0.03 -0.80 0.63 0.20 0.70 0.00 0.00 175.22 175.98 3k4l s GLY 475 N 1.28 1.51 0.04 4.36 0.00 0.52 -1.19 107.32 113.84 3k4l s GLY 475 Ca 0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 3k4l s GLY 475 CO -0.11 -0.59 0.37 1.09 0.00 0.00 0.00 173.10 173.86 3k4l s ARG 476 N -4.26 3.77 -0.17 2.90 1.70 -1.26 -3.81 118.95 117.81 3k4l s ARG 476 Ca 0.43 0.20 -0.01 0.00 -0.47 0.00 0.00 55.73 55.88 3k4l s ARG 476 Cb -0.10 -3.08 -0.00 0.00 -0.57 0.00 0.00 34.95 31.20 3k4l s ARG 476 CO 0.37 0.62 -0.12 0.99 -1.08 0.00 0.00 175.30 176.08 3k4l s THR 477 N -1.28 2.92 0.12 4.99 2.01 -1.26 -4.74 115.64 118.39 3k4l s THR 477 Ca 0.29 -0.67 -0.33 0.00 0.31 0.00 0.00 61.69 61.29 3k4l s THR 477 Cb -0.14 -2.26 -0.12 0.00 0.01 0.00 0.00 72.50 69.98 3k4l s THR 477 CO 0.16 0.49 1.72 -0.62 -0.69 0.00 0.00 174.62 175.68 3k4l n GLU 478 N 4.23 2.44 -2.05 4.92 1.02 -1.26 -4.12 120.64 125.82 3k4l n GLU 478 Ca -0.19 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.42 3k4l n GLU 478 Cb 0.51 -2.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.19 3k4l n GLU 478 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3k4l s PRO 479 N 1.95 4.26 -0.00 3.49 0.04 -1.26 -4.84 135.00 138.64 3k4l s PRO 479 Ca 0.81 2.21 0.01 0.00 0.04 0.00 0.00 61.00 64.07 3k4l s PRO 479 Cb -0.60 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 30.64 3k4l s PRO 479 CO 0.39 -0.56 -0.04 0.15 0.04 0.00 0.00 177.00 176.98 3k4l s LYS 480 N 1.48 0.35 0.44 4.56 -0.14 -1.26 -4.98 119.74 120.19 3k4l s LYS 480 Ca 0.68 -0.16 0.13 0.00 -1.36 0.00 0.00 55.97 55.25 3k4l s LYS 480 Cb -0.39 -0.33 0.99 0.00 -1.68 0.00 0.00 37.83 36.41 3k4l s LYS 480 CO 0.31 0.09 2.02 1.49 -0.76 0.00 0.00 175.35 178.49 3k4l h GLU 481 N 6.01 0.12 0.00 1.68 4.81 -1.94 -1.67 114.58 123.60 3k4l h GLU 481 Ca -0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3k4l h GLU 481 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3k4l h GLU 481 CO 0.50 0.21 0.00 1.05 -0.73 0.00 0.00 179.01 180.04 3k4l h GLU 482 N 0.12 0.00 -5.90 1.92 9.09 -1.96 -3.33 114.58 114.52 3k4l h GLU 482 Ca 0.03 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.84 3k4l h GLU 482 Cb 0.22 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.22 3k4l h GLU 482 CO 0.01 0.00 0.49 -0.80 0.05 0.00 0.00 179.01 178.76 3k4l s ASN 483 N -5.38 6.68 0.04 3.06 0.01 -0.65 -4.77 114.94 113.93 3k4l s ASN 483 Ca 0.02 0.65 0.03 0.00 -0.71 0.00 0.00 52.86 52.85 3k4l s ASN 483 Cb 0.09 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 3k4l s ASN 483 CO 0.52 -0.71 -0.09 -0.54 -1.51 0.00 0.00 177.10 174.77 3k4l s LYS 484 N 3.16 0.57 -0.26 -0.60 1.02 0.04 -1.84 119.74 121.83 3k4l s LYS 484 Ca 0.35 -0.73 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 3k4l s LYS 484 Cb -0.13 -0.39 0.02 0.00 -0.52 0.00 0.00 37.83 36.80 3k4l s LYS 484 CO 0.15 0.08 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.46 3k4l s LEU 485 N -1.46 3.32 0.34 3.17 2.96 0.27 -0.52 118.68 126.75 3k4l s LEU 485 Ca -0.08 -0.77 0.05 0.00 -0.22 0.00 0.00 54.13 53.11 3k4l s LEU 485 Cb -0.09 -1.73 -0.07 0.00 0.50 0.00 0.00 46.19 44.80 3k4l s LEU 485 CO 0.01 -0.13 0.02 -1.66 -1.32 0.00 0.00 176.35 173.26 3k4l s TRP 486 N 1.39 2.10 -0.04 5.38 1.48 0.17 -4.54 118.94 124.87 3k4l s TRP 486 Ca 0.01 -0.83 0.05 0.00 -1.06 0.00 0.00 56.10 54.28 3k4l s TRP 486 Cb -0.16 -1.37 -0.01 0.00 -1.16 0.00 0.00 33.47 30.77 3k4l s TRP 486 CO -0.03 0.18 -0.20 -0.06 -4.06 0.00 0.00 176.95 172.79 3k4l s PHE 487 N -3.09 1.92 0.41 1.66 0.08 -1.26 0.10 117.98 117.81 3k4l s PHE 487 Ca 0.35 -0.53 -0.26 0.00 0.12 0.00 0.00 56.93 56.61 3k4l s PHE 487 Cb 0.08 -1.27 -0.08 0.00 -0.57 0.00 0.00 43.02 41.17 3k4l s PHE 487 CO 0.15 -0.16 1.27 0.45 -0.10 0.00 0.00 175.22 176.84 3k4l s SER 488 N -0.10 6.29 0.00 1.36 0.15 -0.34 0.47 113.70 121.54 3k4l s SER 488 Ca -0.02 2.59 0.24 0.00 0.70 0.00 0.00 55.95 59.46 3k4l s SER 488 Cb -0.11 -2.63 0.91 0.00 -1.71 0.00 0.00 66.02 62.47 3k4l s SER 488 CO 0.02 -0.86 1.65 -0.90 1.20 0.00 0.00 173.24 174.36 3k4l n ASP 489 N 0.04 1.56 0.00 5.45 5.68 -1.26 -4.25 116.55 123.77 3k4l n ASP 489 Ca 0.04 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 3k4l n ASP 489 Cb 0.44 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.88 -2.96 0.11 2.85 -1.26 -5.03 118.16 112.98 3k4l n LYS 490 Ca 0.18 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.04 3k4l n LYS 490 Cb 0.34 -0.68 -0.06 0.00 -0.65 0.00 0.00 35.03 33.98 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 -1.35 4.46 0.28 0.58 -1.09 -1.26 -5.03 121.20 117.79 3k4l s ILE 491 Ca 0.00 1.71 0.11 0.00 -2.23 0.00 0.00 60.65 60.24 3k4l s ILE 491 Cb 0.00 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 3k4l s ILE 491 CO 0.00 0.47 -0.17 0.42 -1.23 0.00 0.00 174.94 174.43 3k4l s THR 492 N -0.80 2.30 0.16 2.92 -4.23 -1.26 -1.78 115.64 112.94 3k4l s THR 492 Ca 0.37 -2.33 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3k4l s THR 492 Cb -0.22 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.31 3k4l s THR 492 CO 0.26 -0.39 0.22 -0.90 -0.54 0.00 0.00 174.62 173.27 3k4l n ASP 493 N -0.62 0.30 0.29 3.99 5.68 0.46 -4.73 116.55 121.93 3k4l n ASP 493 Ca -0.05 -1.25 0.19 0.00 -0.50 0.00 0.00 54.79 53.18 3k4l n ASP 493 Cb 0.61 -0.14 0.94 0.00 -1.14 0.00 0.00 41.12 41.39 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 -0.46 1.00 -0.50 2.12 0.00 -2.00 -1.92 119.26 117.49 3k4l h ALA 494 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3k4l h ALA 494 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k4l h ALA 494 CO 0.08 0.00 0.04 0.66 0.00 0.00 0.00 179.25 180.02 3k4l n TYR 495 N -2.99 1.78 -2.57 0.00 4.02 -1.26 -4.95 117.16 111.20 3k4l n TYR 495 Ca -0.01 -0.86 -0.19 0.00 -0.01 0.00 0.00 57.90 56.82 3k4l n TYR 495 Cb 0.17 -0.48 0.01 0.00 -0.02 0.00 0.00 39.34 39.01 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 0.13 -5.55 -4.74 7.72 4.13 -0.72 -5.01 115.26 111.22 3k4l n ASN 496 Ca 0.28 -0.11 -0.22 0.00 1.68 0.00 0.00 54.58 56.21 3k4l n ASN 496 Cb 1.14 -4.52 -0.06 0.00 -1.54 0.00 0.00 39.78 34.80 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 -5.18 2.56 0.22 3.52 -1.94 -1.26 -4.83 119.30 112.39 3k4l s MET 497 Ca 0.10 -1.30 -0.32 0.00 -1.71 0.00 0.00 55.69 52.46 3k4l s MET 497 Cb -0.04 -2.33 -0.13 0.00 2.01 0.00 0.00 34.83 34.34 3k4l s MET 497 CO 0.12 0.31 1.53 -2.30 -0.01 0.00 0.00 175.02 174.68 3k4l n PRO 498 N -1.08 2.27 -2.23 2.03 -0.02 -1.26 -0.40 135.00 134.31 3k4l n PRO 498 Ca -0.06 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3k4l n PRO 498 Cb 0.59 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.17 4.27 0.44 -0.52 2.00 -0.73 -4.67 119.66 120.62 3k4l s GLN 499 Ca 0.72 1.94 -0.24 0.00 -2.00 0.00 0.00 55.36 55.78 3k4l s GLN 499 Cb -0.62 -3.62 -0.08 0.00 0.80 0.00 0.00 33.01 29.50 3k4l s GLN 499 CO 0.44 -0.60 1.17 -1.25 -0.50 0.00 0.00 175.29 174.55 3k4l s PRO 500 N 2.59 3.87 -0.07 1.67 0.04 -1.26 -1.20 135.00 140.64 3k4l s PRO 500 Ca 0.63 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 3k4l s PRO 500 Cb -0.30 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 31.75 3k4l s PRO 500 CO 0.26 -0.47 0.17 0.99 0.04 0.00 0.00 177.00 177.99 3k4l s THR 501 N -1.49 -0.03 0.04 1.26 2.01 0.11 -4.63 115.64 112.91 3k4l s THR 501 Ca 0.61 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 3k4l s THR 501 Cb -0.30 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3k4l s THR 501 CO 0.37 0.04 0.20 -0.36 -0.69 0.00 0.00 174.62 174.18 3k4l s PHE 502 N 0.79 3.53 -0.34 4.92 0.08 -1.26 -0.66 117.98 125.05 3k4l s PHE 502 Ca -0.06 0.29 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 3k4l s PHE 502 Cb -0.07 -1.79 0.11 0.00 -0.57 0.00 0.00 43.02 40.70 3k4l s PHE 502 CO -0.04 0.61 0.15 0.34 -0.10 0.00 0.00 175.22 176.18 3k4l s ASP 503 N -2.31 3.63 -0.07 1.36 -1.08 0.32 -4.61 116.67 113.90 3k4l s ASP 503 Ca 0.32 -1.84 -0.06 0.00 -0.52 0.00 0.00 52.55 50.46 3k4l s ASP 503 Cb -0.13 -0.67 0.02 0.00 -1.46 0.00 0.00 42.92 40.68 3k4l s ASP 503 CO 0.25 -0.37 0.19 0.12 0.52 0.00 0.00 175.17 175.87 3k4l s PHE 504 N 1.40 -0.22 -0.01 -5.34 2.19 -0.49 -0.78 117.98 114.75 3k4l s PHE 504 Ca 0.13 0.53 -0.04 0.00 0.33 0.00 0.00 56.93 57.88 3k4l s PHE 504 Cb -0.19 0.05 -0.00 0.00 -1.31 0.00 0.00 43.02 41.57 3k4l s PHE 504 CO -0.18 -0.12 0.09 1.03 1.83 0.00 0.00 175.22 177.86 3k4l s ARG 505 N 0.36 0.32 0.09 10.12 1.81 -1.26 -3.89 118.95 126.50 3k4l s ARG 505 Ca -0.02 -0.26 -0.31 0.00 -1.72 0.00 0.00 55.73 53.42 3k4l s ARG 505 Cb -0.04 0.13 -0.09 0.00 -0.45 0.00 0.00 34.95 34.50 3k4l s ARG 505 CO -0.02 -0.07 1.76 -0.06 -0.68 0.00 0.00 175.30 176.24 3k4l s PHE 506 N -0.90 2.21 0.31 -0.53 0.08 -1.26 -4.88 117.98 113.01 3k4l s PHE 506 Ca -0.10 0.10 -0.28 0.00 0.12 0.00 0.00 56.93 56.77 3k4l s PHE 506 Cb -0.06 -4.08 -0.13 0.00 -0.57 0.00 0.00 43.02 38.18 3k4l s PHE 506 CO 0.01 -4.45 1.14 -2.30 -0.10 0.00 0.00 175.22 169.52 3k4l n PRO 507 N 5.79 1.71 -1.19 0.24 -0.02 -1.26 -4.86 135.00 135.40 3k4l n PRO 507 Ca 0.17 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 3k4l n PRO 507 Cb 0.39 -2.07 0.16 0.00 -0.02 0.00 0.00 33.50 31.97 3k4l n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4l s ALA 508 N -1.06 1.22 0.00 3.55 0.00 -1.26 -2.66 121.76 121.55 3k4l s ALA 508 Ca 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3k4l s ALA 508 Cb -0.64 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3k4l s ALA 508 CO 0.61 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3k4l n GLY 509 N -1.11 0.72 0.21 0.00 0.00 -1.26 -4.31 105.19 99.43 3k4l n GLY 509 Ca 0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 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 0.59 -0.73 1.61 2.43 -1.99 -1.09 114.38 115.20 3k4l h ARG 510 Ca 0.00 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3k4l h ARG 510 Cb 0.00 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.35 3k4l h ARG 510 CO 0.00 0.39 0.41 1.15 -1.51 0.00 0.00 179.97 180.41 3k4l h THR 511 N 0.61 0.94 0.02 0.20 2.02 -1.75 0.12 112.91 115.07 3k4l h THR 511 Ca 0.20 -0.25 -0.22 0.00 0.77 0.00 0.00 66.41 66.91 3k4l h THR 511 Cb 0.01 0.15 0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3k4l h THR 511 CO -0.09 0.13 -0.86 0.28 0.37 0.00 0.00 175.52 175.36 3k4l h SER 512 N 0.73 0.72 -0.16 4.18 0.02 -1.19 -1.48 113.55 116.37 3k4l h SER 512 Ca 0.34 -0.77 0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3k4l h SER 512 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3k4l h SER 512 CO -0.21 1.40 -0.06 0.50 -1.14 0.00 0.00 176.83 177.32 3k4l h LYS 513 N 0.12 -0.03 -0.54 3.45 3.64 -1.06 -2.42 116.57 119.74 3k4l h LYS 513 Ca -0.11 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3k4l h LYS 513 Cb 1.55 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.35 3k4l h LYS 513 CO 0.17 -0.02 0.19 0.93 -2.27 0.00 0.00 179.45 178.44 3k4l h GLU 514 N -0.03 0.79 -0.57 1.90 5.08 -0.98 -1.18 114.58 119.60 3k4l h GLU 514 Ca 0.08 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3k4l h GLU 514 Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3k4l h GLU 514 CO -0.18 0.67 0.01 0.00 -1.00 0.00 0.00 179.01 178.51 3k4l h ALA 515 N 1.43 0.95 -0.29 3.43 0.00 -0.92 0.25 119.26 124.11 3k4l h ALA 515 Ca 0.18 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3k4l h ALA 515 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3k4l h ALA 515 CO -0.01 0.64 -0.54 1.49 0.00 0.00 0.00 179.25 180.82 3k4l h GLU 516 N 0.90 0.86 -0.11 0.00 4.57 -1.24 -1.41 114.58 118.15 3k4l h GLU 516 Ca 0.17 -0.54 -0.04 0.00 -1.18 0.00 0.00 59.36 57.76 3k4l h GLU 516 Cb 0.51 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3k4l h GLU 516 CO 0.02 1.18 -0.12 -0.44 -1.18 0.00 0.00 179.01 178.47 3k4l h ASP 517 N 0.66 0.16 -0.27 1.04 3.32 -0.92 -2.13 116.42 118.28 3k4l h ASP 517 Ca 0.02 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3k4l h ASP 517 Cb 1.15 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3k4l h ASP 517 CO 0.12 0.30 -0.06 -0.03 -1.72 0.00 0.00 179.24 177.85 3k4l h MET 518 N 0.16 0.53 -0.32 3.56 4.05 -0.67 0.11 114.93 122.36 3k4l h MET 518 Ca 0.03 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.32 3k4l h MET 518 Cb 0.32 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.03 3k4l h MET 518 CO 0.02 0.73 -0.06 1.98 0.23 0.00 0.00 176.91 179.81 3k4l h MET 519 N 0.28 0.02 -0.66 0.39 1.85 -0.89 -0.86 114.93 115.07 3k4l h MET 519 Ca 0.07 -0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 3k4l h MET 519 Cb 0.54 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.53 3k4l h MET 519 CO 0.03 0.01 0.27 1.15 -0.40 0.00 0.00 176.91 177.97 3k4l h THR 520 N 0.02 1.23 -0.84 -0.77 2.02 -1.19 -1.58 112.91 111.80 3k4l h THR 520 Ca 0.15 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3k4l h THR 520 Cb 0.23 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 3k4l h THR 520 CO -0.31 0.28 0.51 -0.78 0.37 0.00 0.00 175.52 175.59 3k4l h ASP 521 N 0.94 1.00 -0.44 4.18 3.58 -0.26 -0.09 116.42 125.34 3k4l h ASP 521 Ca 0.22 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 3k4l h ASP 521 Cb 0.17 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3k4l h ASP 521 CO -0.02 0.77 -0.18 -0.03 -2.88 0.00 0.00 179.24 176.90 3k4l h MET 522 N 1.16 0.90 -0.63 0.28 4.05 -0.60 0.88 114.93 120.97 3k4l h MET 522 Ca 0.30 -0.38 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 3k4l h MET 522 Cb -0.05 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 3k4l h MET 522 CO -0.06 1.03 0.14 0.00 0.23 0.00 0.00 176.91 178.25 3k4l h VAL 524 N 0.93 1.15 -0.31 0.00 2.07 -0.86 -3.03 116.25 116.20 3k4l h VAL 524 Ca 0.19 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 3k4l h VAL 524 Cb 0.38 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3k4l h VAL 524 CO 0.01 0.13 -0.29 -0.03 0.02 0.00 0.00 177.57 177.40 3k4l h MET 525 N -0.06 0.74 -0.62 1.57 -1.53 -0.76 -3.20 114.93 111.07 3k4l h MET 525 Ca 0.02 -0.39 -0.05 0.00 -3.44 0.00 0.00 59.70 55.84 3k4l h MET 525 Cb 0.18 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 3k4l h MET 525 CO -0.00 1.01 0.17 0.66 0.14 0.00 0.00 176.91 178.89 3k4l h SER 526 N 0.50 0.89 -0.40 1.39 4.64 -1.23 -0.93 113.55 118.40 3k4l h SER 526 Ca 0.05 -0.16 0.12 0.00 -0.47 0.00 0.00 61.79 61.33 3k4l h SER 526 Cb 0.87 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3k4l h SER 526 CO 0.07 0.85 0.63 0.00 -0.87 0.00 0.00 176.83 177.51 3k4l h ALA 527 N 1.27 2.09 0.00 5.18 0.00 -1.52 0.54 119.26 126.82 3k4l h ALA 527 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3k4l h ALA 527 Cb 0.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k4l h ALA 527 CO -0.00 -0.84 0.00 0.87 0.00 0.00 0.00 179.25 179.28 3k4l h LYS 528 N 0.00 0.00 0.00 0.00 1.57 -1.26 -3.33 116.57 113.55 3k4l h LYS 528 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 3k4l h LYS 528 Cb 1.45 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.70 3k4l h LYS 528 CO -0.00 0.00 -2.32 -0.89 -0.57 0.00 0.00 179.45 175.67 3k4l n ILE 529 N -2.85 1.33 0.00 1.86 2.08 0.11 -4.98 119.36 116.92 3k4l n ILE 529 Ca 0.03 -0.51 0.00 0.00 0.56 0.00 0.00 62.75 62.83 3k4l n ILE 529 Cb 0.42 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.98 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 2.39 0.38 3.78 7.39 0.00 -0.77 -1.08 105.19 117.27 3k4l n GLY 530 Ca -0.41 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 1.71 0.49 -0.02 0.00 -1.22 -3.83 107.32 104.45 3k4l s GLY 531 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.74 3k4l s GLY 531 CO 0.00 0.60 1.32 -1.36 0.00 0.00 0.00 173.10 173.65 3k4l s PHE 532 N -2.89 2.54 -0.18 1.90 0.08 -1.26 -0.78 117.98 117.40 3k4l s PHE 532 Ca 0.61 1.40 -0.29 0.00 0.12 0.00 0.00 56.93 58.77 3k4l s PHE 532 Cb -0.17 -3.70 -0.00 0.00 -0.57 0.00 0.00 43.02 38.58 3k4l s PHE 532 CO 0.55 -2.44 1.12 -1.17 -0.10 0.00 0.00 175.22 173.17 3k4l s LEU 533 N -3.08 4.16 0.30 -0.37 2.96 0.90 -4.69 118.68 118.86 3k4l s LEU 533 Ca 0.65 1.53 -0.28 0.00 -0.22 0.00 0.00 54.13 55.81 3k4l s LEU 533 Cb -0.38 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.63 3k4l s LEU 533 CO 0.46 -0.66 1.13 -2.65 -1.32 0.00 0.00 176.35 173.31 3k4l n PRO 534 N 6.15 1.63 -0.17 0.98 -0.02 -1.26 -0.68 135.00 141.62 3k4l n PRO 534 Ca 0.12 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3k4l n PRO 534 Cb 0.46 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.16 2.06 2.56 -1.23 0.00 -1.26 -4.87 105.19 103.61 3k4l n GLY 535 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 2.55 -4.87 1.61 7.64 0.14 -5.06 113.62 115.63 3k4l n SER 536 Ca 0.00 -3.13 -0.30 0.00 1.01 0.00 0.00 58.87 56.45 3k4l n SER 536 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.17 3.39 0.12 -3.43 1.43 -1.25 -1.67 118.68 114.10 3k4l s LEU 537 Ca 0.37 1.32 -0.32 0.00 -1.03 0.00 0.00 54.13 54.47 3k4l s LEU 537 Cb 0.41 -4.33 -0.11 0.00 0.03 0.00 0.00 46.19 42.20 3k4l s LEU 537 CO -0.06 -0.75 1.82 -0.81 0.23 0.00 0.00 176.35 176.78 3k4l n PRO 538 N -2.43 2.72 -3.70 1.29 -0.04 -1.26 -4.58 135.00 127.00 3k4l n PRO 538 Ca 0.05 0.99 -0.13 0.00 -0.04 0.00 0.00 63.50 64.36 3k4l n PRO 538 Cb 0.54 -2.87 -0.07 0.00 -0.04 0.00 0.00 33.50 31.06 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 2.61 0.82 0.20 0.54 -2.07 -0.76 -4.99 119.66 116.01 3k4l s GLN 539 Ca 0.82 -0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 53.79 3k4l s GLN 539 Cb -0.51 0.37 -0.08 0.00 -1.09 0.00 0.00 33.01 31.70 3k4l s GLN 539 CO 0.38 -0.26 0.96 -0.06 -1.32 0.00 0.00 175.29 174.99 3k4l s PHE 540 N -1.95 3.90 0.39 9.60 0.08 -1.26 -1.09 117.98 127.65 3k4l s PHE 540 Ca -0.09 1.86 -0.09 0.00 0.12 0.00 0.00 56.93 58.73 3k4l s PHE 540 Cb -0.02 -3.03 -0.06 0.00 -0.57 0.00 0.00 43.02 39.34 3k4l s PHE 540 CO 0.01 0.31 0.74 -1.64 -0.10 0.00 0.00 175.22 174.53 3k4l s MET 541 N -0.79 3.75 0.13 0.44 -1.94 -0.20 -4.96 119.30 115.73 3k4l s MET 541 Ca 0.43 0.39 -0.34 0.00 -1.71 0.00 0.00 55.69 54.46 3k4l s MET 541 Cb -0.25 -2.43 -0.17 0.00 2.01 0.00 0.00 34.83 33.99 3k4l s MET 541 CO 0.32 -0.00 1.09 0.39 -0.01 0.00 0.00 175.02 176.80 3k4l n GLU 542 N -1.28 0.80 -1.68 2.03 4.71 -1.26 -4.76 120.64 119.20 3k4l n GLU 542 Ca 0.02 0.28 -0.46 0.00 -0.01 0.00 0.00 57.16 56.99 3k4l n GLU 542 Cb 0.54 -1.74 -0.04 0.00 -1.01 0.00 0.00 31.44 29.19 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 1.69 2.24 -0.04 3.49 -0.02 -1.26 -1.41 135.00 139.69 3k4l n PRO 543 Ca 0.17 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3k4l n PRO 543 Cb 0.21 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 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 3.91 1.48 0.34 -1.23 0.00 -1.26 0.03 105.19 108.46 3k4l n GLY 544 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.98 0.99 5.85 -1.29 -1.30 115.31 117.58 3k4l h LEU 545 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k4l h LEU 545 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3k4l h LEU 545 CO 0.00 0.00 -0.10 1.62 -0.34 0.00 0.00 178.44 179.62 3k4l h VAL 546 N 0.00 0.53 -5.81 1.05 3.04 -1.87 -3.47 116.25 109.71 3k4l h VAL 546 Ca 0.15 -0.47 -0.37 0.00 -1.01 0.00 0.00 66.70 65.00 3k4l h VAL 546 Cb 0.65 1.31 0.13 0.00 -2.01 0.00 0.00 31.29 31.37 3k4l h VAL 546 CO -0.00 0.10 -0.74 0.18 -1.01 0.00 0.00 177.57 176.09 3k4l n LEU 547 N -3.62 -3.61 -0.84 3.16 4.77 -0.50 -4.91 117.00 111.44 3k4l n LEU 547 Ca -0.02 -0.62 0.04 0.00 -0.03 0.00 0.00 56.01 55.38 3k4l n LEU 547 Cb 0.22 -3.01 0.17 0.00 -2.33 0.00 0.00 43.42 38.47 3k4l n LEU 547 CO 0.29 0.49 0.30 1.41 -1.33 0.00 0.00 177.39 178.55 3k4l n HIS 548 N -4.51 0.14 -1.73 -1.77 8.25 -1.26 -5.03 115.22 109.31 3k4l n HIS 548 Ca -0.16 -1.37 -0.42 0.00 -0.26 0.00 0.00 57.72 55.51 3k4l n HIS 548 Cb 0.62 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 3k4l n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4l n LEU 549 N -0.82 4.21 -4.35 2.41 7.94 -1.26 -4.59 117.00 120.54 3k4l n LEU 549 Ca 0.18 1.11 -0.20 0.00 -1.11 0.00 0.00 56.01 55.98 3k4l n LEU 549 Cb 0.78 -1.59 -0.08 0.00 0.53 0.00 0.00 43.42 43.06 3k4l n LEU 549 CO -0.02 0.17 -0.16 -0.83 -1.11 0.00 0.00 177.39 175.44 3k4l s GLY 550 N 0.78 2.31 0.00 -3.96 0.00 0.54 -4.32 107.32 102.67 3k4l s GLY 550 Ca 0.69 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3k4l s GLY 550 CO 0.42 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.54 3k4l n GLY 551 N -0.67 0.52 0.22 0.20 0.00 -0.83 -1.15 105.19 103.47 3k4l n GLY 551 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 0.74 -1.63 2.61 1.35 -1.77 -3.33 112.91 110.89 3k4l h THR 552 Ca 0.00 -1.14 -0.43 0.00 -0.55 0.00 0.00 66.41 64.28 3k4l h THR 552 Cb 0.15 1.72 -0.36 0.00 -1.73 0.00 0.00 68.15 67.93 3k4l h THR 552 CO 0.00 0.26 -1.07 0.00 -0.25 0.00 0.00 175.52 174.47 3k4l n HIS 553 N -3.57 -0.34 -2.19 4.73 1.44 -0.42 -1.07 115.22 113.82 3k4l n HIS 553 Ca -0.01 -3.50 -0.33 0.00 -2.01 0.00 0.00 57.72 51.87 3k4l n HIS 553 Cb 0.41 -0.06 -0.00 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.97 3.43 0.07 -1.40 1.70 -1.08 -4.04 118.95 115.67 3k4l s ARG 554 Ca 0.37 1.28 -0.15 0.00 -0.47 0.00 0.00 55.73 56.75 3k4l s ARG 554 Cb 0.34 -2.04 -0.06 0.00 -0.57 0.00 0.00 34.95 32.61 3k4l s ARG 554 CO -0.07 -0.73 0.49 1.41 -1.08 0.00 0.00 175.30 175.32 3k4l s MET 555 N -3.79 4.00 0.27 3.89 -2.45 0.02 0.84 119.30 122.09 3k4l s MET 555 Ca 0.65 0.51 -0.20 0.00 -1.25 0.00 0.00 55.69 55.40 3k4l s MET 555 Cb -0.17 -3.12 0.06 0.00 1.25 0.00 0.00 34.83 32.85 3k4l s MET 555 CO 0.32 0.61 0.89 0.20 1.05 0.00 0.00 175.02 178.08 3k4l s GLY 556 N -1.33 0.15 0.11 2.11 0.00 -0.30 -4.54 107.32 103.52 3k4l s GLY 556 Ca 0.30 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.53 3k4l s GLY 556 CO 0.17 0.69 1.25 0.74 0.00 0.00 0.00 173.10 175.95 3k4l h PHE 557 N 2.00 0.59 -3.36 1.90 0.04 -1.93 -3.35 116.94 112.84 3k4l h PHE 557 Ca -0.28 -0.35 -0.44 0.00 2.80 0.00 0.00 57.97 59.70 3k4l h PHE 557 Cb 1.24 -0.05 -0.35 0.00 2.20 0.00 0.00 35.95 38.98 3k4l h PHE 557 CO 1.13 1.20 -0.78 0.34 -0.60 0.00 0.00 178.31 179.60 3k4l s ASP 558 N -7.12 1.35 0.21 2.17 2.15 -1.26 -4.93 116.67 109.24 3k4l s ASP 558 Ca -0.05 -0.15 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 3k4l s ASP 558 Cb 0.08 -0.53 0.27 0.00 -0.30 0.00 0.00 42.92 42.44 3k4l s ASP 558 CO 0.87 -0.10 1.76 -0.08 -0.17 0.00 0.00 175.17 177.46 3k4l h GLU 559 N 7.62 0.44 0.00 4.34 4.81 -1.88 -0.85 114.58 129.05 3k4l h GLU 559 Ca -0.31 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 3k4l h GLU 559 Cb 1.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3k4l h GLU 559 CO 0.40 0.29 -0.40 -0.22 -0.73 0.00 0.00 179.01 178.36 3k4l h LYS 560 N 0.46 0.00 -0.25 1.92 3.64 -1.96 -1.72 116.57 118.66 3k4l h LYS 560 Ca 0.30 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3k4l h LYS 560 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3k4l h LYS 560 CO -0.28 0.86 -0.07 0.93 -2.27 0.00 0.00 179.45 178.63 3k4l h GLU 561 N -1.00 0.39 -0.28 1.90 5.08 -1.97 -2.97 114.58 115.74 3k4l h GLU 561 Ca -0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3k4l h GLU 561 Cb 0.97 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3k4l h GLU 561 CO -0.06 0.47 0.00 -0.25 -1.00 0.00 0.00 179.01 178.17 3k4l n ASP 562 N -4.27 2.93 -3.60 1.42 8.00 -0.33 -5.00 116.55 115.69 3k4l n ASP 562 Ca 0.00 -1.86 -0.26 0.00 0.71 0.00 0.00 54.79 53.39 3k4l n ASP 562 Cb 0.26 -0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.03 -5.65 -3.81 -2.24 4.13 -0.93 -4.86 115.26 102.93 3k4l n ASN 563 Ca 0.14 -0.87 -0.12 0.00 1.68 0.00 0.00 54.58 55.41 3k4l n ASN 563 Cb 0.48 -3.41 -0.07 0.00 -1.54 0.00 0.00 39.78 35.24 3k4l n ASN 563 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4l s VAL 566 N -1.92 1.54 0.29 0.00 -7.23 -0.69 -2.50 120.40 109.89 3k4l s VAL 566 Ca 0.00 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 3k4l s VAL 566 Cb 0.00 -1.56 0.06 0.00 0.56 0.00 0.00 36.38 35.44 3k4l s VAL 566 CO 0.00 -0.27 0.39 -0.46 -0.31 0.00 0.00 175.10 174.46 3k4l n ASN 567 N 0.71 0.30 0.00 4.85 0.23 -0.09 -1.15 115.26 120.11 3k4l n ASN 567 Ca -0.17 -1.31 0.12 0.00 -0.53 0.00 0.00 54.58 52.70 3k4l n ASN 567 Cb 0.56 -0.28 0.67 0.00 -2.08 0.00 0.00 39.78 38.65 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 -2.18 0.14 0.18 5.53 -2.24 -1.25 0.13 114.28 114.58 3k4l n THR 568 Ca 0.06 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3k4l n THR 568 Cb 0.20 -0.63 0.25 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.18 3.08 -1.58 3.42 8.00 -1.26 -4.70 116.55 122.32 3k4l n ASP 569 Ca 0.14 -2.02 -0.18 0.00 0.71 0.00 0.00 54.79 53.44 3k4l n ASP 569 Cb 0.15 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.14 -5.25 -4.80 -2.24 7.64 0.12 -4.25 113.62 105.98 3k4l n SER 570 Ca 0.19 0.34 -0.37 0.00 1.01 0.00 0.00 58.87 60.04 3k4l n SER 570 Cb 0.49 -4.36 -0.06 0.00 -1.01 0.00 0.00 64.21 59.27 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 -3.89 3.97 0.00 1.43 3.52 -1.25 -1.63 118.95 121.09 3k4l s ARG 571 Ca 0.00 0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.54 3k4l s ARG 571 Cb 0.00 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 30.04 3k4l s ARG 571 CO 0.00 0.53 1.52 0.08 -0.81 0.00 0.00 175.30 176.62 3k4l s VAL 572 N -0.49 3.51 0.09 7.11 1.01 -0.53 -0.92 120.40 130.18 3k4l s VAL 572 Ca 0.20 0.86 -0.37 0.00 0.00 0.00 0.00 61.98 62.68 3k4l s VAL 572 Cb -0.15 -3.55 -0.17 0.00 0.00 0.00 0.00 36.38 32.51 3k4l s VAL 572 CO 0.09 -0.02 1.36 0.49 0.00 0.00 0.00 175.10 177.02 3k4l n PHE 573 N 5.84 1.56 0.00 5.22 3.72 -1.04 -1.27 117.46 131.49 3k4l n PHE 573 Ca 0.15 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 3k4l n PHE 573 Cb 0.43 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 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 2.58 3.10 3.71 1.37 0.00 -1.26 -5.01 105.19 109.68 3k4l n GLY 574 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.57 3.35 0.20 1.61 0.40 -0.40 -4.08 117.98 116.51 3k4l s PHE 575 Ca 0.00 0.24 0.07 0.00 -0.60 0.00 0.00 56.93 56.64 3k4l s PHE 575 Cb 0.00 -2.07 0.12 0.00 0.51 0.00 0.00 43.02 41.58 3k4l s PHE 575 CO 0.00 0.31 1.47 0.87 0.70 0.00 0.00 175.22 178.56 3k4l h LYS 576 N 6.36 0.08 0.00 0.44 1.57 -1.20 -3.38 116.57 120.43 3k4l h LYS 576 Ca -0.42 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 3k4l h LYS 576 Cb 1.17 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.33 3k4l h LYS 576 CO 0.70 0.81 -0.69 0.27 -0.57 0.00 0.00 179.45 179.97 3k4l n ASN 577 N -3.67 0.96 -4.14 0.86 6.94 -1.26 -5.02 115.26 109.92 3k4l n ASN 577 Ca -0.02 -2.41 -0.32 0.00 -0.02 0.00 0.00 54.58 51.81 3k4l n ASN 577 Cb 0.74 -0.32 -0.16 0.00 -2.36 0.00 0.00 39.78 37.68 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 -0.81 2.07 0.04 -4.53 2.96 -1.26 -0.91 118.68 116.24 3k4l s LEU 578 Ca 0.25 -0.60 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3k4l s LEU 578 Cb 0.26 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3k4l s LEU 578 CO -0.08 0.05 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.47 3k4l s PHE 579 N 0.98 1.44 -0.02 5.38 0.40 0.10 -1.46 117.98 124.80 3k4l s PHE 579 Ca -0.03 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 3k4l s PHE 579 Cb -0.15 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 3k4l s PHE 579 CO -0.05 0.06 -0.23 -0.51 0.70 0.00 0.00 175.22 175.19 3k4l s LEU 580 N -1.14 2.26 0.11 -0.37 1.43 -0.65 -0.88 118.68 119.44 3k4l s LEU 580 Ca 0.04 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3k4l s LEU 580 Cb -0.08 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3k4l s LEU 580 CO 0.01 0.32 -0.19 -0.83 0.23 0.00 0.00 176.35 175.90 3k4l s GLY 581 N -0.71 1.19 0.00 -3.19 0.00 -0.01 -4.83 107.32 99.78 3k4l s GLY 581 Ca 0.11 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3k4l s GLY 581 CO -0.00 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.43 3k4l n GLY 582 N 0.92 1.17 0.29 0.20 0.00 -1.26 -4.38 105.19 102.13 3k4l n GLY 582 Ca -0.18 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 0.00 2.00 0.00 0.00 -1.89 -0.86 103.07 102.32 3k4l h GLY 584 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3k4l h GLY 584 CO -0.00 0.00 -0.28 3.43 0.00 0.00 0.00 176.54 179.69 3k4l h ASN 585 N 0.00 0.00 -3.00 0.19 2.35 -1.28 -1.04 115.58 112.79 3k4l h ASN 585 Ca 0.28 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.46 3k4l h ASN 585 Cb 1.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.63 3k4l h ASN 585 CO -0.00 0.28 0.82 -0.63 -1.65 0.00 0.00 177.43 176.25 3k4l s ILE 586 N -3.60 4.39 -2.49 2.81 1.01 -0.34 -0.80 121.20 122.19 3k4l s ILE 586 Ca 0.01 1.69 0.24 0.00 0.00 0.00 0.00 60.65 62.59 3k4l s ILE 586 Cb 0.10 -4.09 0.19 0.00 0.01 0.00 0.00 42.46 38.67 3k4l s ILE 586 CO 0.66 -0.11 1.31 -0.81 0.00 0.00 0.00 174.94 175.99 3k4l n PRO 587 N 6.18 1.72 -3.00 2.79 -0.04 -1.26 -1.98 135.00 139.41 3k4l n PRO 587 Ca 0.13 -1.34 -0.18 0.00 -0.04 0.00 0.00 63.50 62.07 3k4l n PRO 587 Cb 0.46 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.20 2.85 -0.30 0.52 -4.23 -1.26 -4.78 115.64 106.24 3k4l s THR 588 Ca 0.26 -0.99 -0.22 0.00 -1.18 0.00 0.00 61.69 59.56 3k4l s THR 588 Cb 0.19 -2.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 3k4l s THR 588 CO 0.41 0.00 0.73 0.00 -0.54 0.00 0.00 174.62 175.22 3k4l s ALA 589 N -2.42 3.54 0.04 3.99 0.00 -1.26 -4.81 121.76 120.84 3k4l s ALA 589 Ca 0.56 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3k4l s ALA 589 Cb -0.09 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3k4l s ALA 589 CO 0.34 -1.12 -0.11 1.52 0.00 0.00 0.00 175.76 176.40 3k4l s TYR 590 N 2.81 0.91 -0.12 0.00 1.13 -1.26 -4.56 117.35 116.25 3k4l s TYR 590 Ca 0.30 -0.37 0.13 0.00 -1.41 0.00 0.00 57.07 55.71 3k4l s TYR 590 Cb -0.15 -0.54 -0.19 0.00 -1.10 0.00 0.00 41.96 39.98 3k4l s TYR 590 CO 0.12 -0.01 0.10 0.41 -2.51 0.00 0.00 175.55 173.65 3k4l n GLY 591 N 1.84 -0.71 3.72 5.49 0.00 -1.26 -4.10 105.19 110.18 3k4l n GLY 591 Ca -0.19 -0.26 -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 -2.46 1.64 0.06 4.61 0.00 -1.26 -4.31 121.76 120.04 3k4l s ALA 592 Ca -0.07 -0.00 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 3k4l s ALA 592 Cb 0.05 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 3k4l s ALA 592 CO 0.60 -2.28 1.27 -0.80 0.00 0.00 0.00 175.76 174.55 3k4l s ASN 593 N -3.39 6.99 0.17 0.00 -0.87 -1.26 -4.93 114.94 111.64 3k4l s ASN 593 Ca 0.63 2.10 0.26 0.00 -1.57 0.00 0.00 52.86 54.28 3k4l s ASN 593 Cb -0.18 -2.58 0.72 0.00 -0.02 0.00 0.00 41.25 39.19 3k4l s ASN 593 CO 0.57 -0.55 1.67 -0.81 -2.57 0.00 0.00 177.10 175.41 3k4l n PRO 594 N 4.14 0.25 -0.20 -0.60 -0.04 -1.26 -4.41 135.00 132.87 3k4l n PRO 594 Ca 0.10 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.65 3k4l n PRO 594 Cb 0.45 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.18 3k4l n PRO 594 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3k4l h THR 595 N 0.00 1.24 -0.92 0.52 2.02 -1.92 -1.50 112.91 112.35 3k4l h THR 595 Ca 0.00 -0.79 0.09 0.00 0.77 0.00 0.00 66.41 66.48 3k4l h THR 595 Cb 0.72 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 3k4l h THR 595 CO 0.00 0.30 0.57 0.25 0.37 0.00 0.00 175.52 177.01 3k4l h LEU 596 N 0.81 0.86 -0.45 2.58 5.85 -1.86 -0.30 115.31 122.80 3k4l h LEU 596 Ca 0.19 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3k4l h LEU 596 Cb 0.27 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3k4l h LEU 596 CO -0.01 0.50 0.07 0.74 -0.34 0.00 0.00 178.44 179.40 3k4l h THR 597 N 0.97 1.25 -0.72 1.05 2.02 -1.61 -1.08 112.91 114.78 3k4l h THR 597 Ca 0.43 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3k4l h THR 597 Cb 0.33 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3k4l h THR 597 CO -0.22 0.32 0.40 0.00 0.37 0.00 0.00 175.52 176.38 3k4l h ALA 598 N 0.94 0.92 -0.72 6.16 0.00 -0.85 -1.50 119.26 124.22 3k4l h ALA 598 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3k4l h ALA 598 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3k4l h ALA 598 CO 0.01 0.44 0.29 1.98 0.00 0.00 0.00 179.25 181.96 3k4l h MET 599 N 0.99 1.07 -0.77 0.00 -1.53 -0.87 -1.24 114.93 112.58 3k4l h MET 599 Ca 0.25 -0.18 -0.02 0.00 -3.44 0.00 0.00 59.70 56.31 3k4l h MET 599 Cb 0.03 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 30.87 3k4l h MET 599 CO -0.04 0.87 0.40 0.77 0.14 0.00 0.00 176.91 179.05 3k4l h SER 600 N 1.05 0.97 -0.66 1.39 0.02 -0.87 -1.07 113.55 114.38 3k4l h SER 600 Ca 0.24 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3k4l h SER 600 Cb 0.20 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3k4l h SER 600 CO -0.02 0.80 0.11 -0.07 -1.14 0.00 0.00 176.83 176.51 3k4l h LEU 601 N 1.07 1.05 -0.88 5.07 3.38 -1.01 -2.59 115.31 121.40 3k4l h LEU 601 Ca 0.27 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3k4l h LEU 601 Cb 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3k4l h LEU 601 CO -0.04 1.04 0.59 0.00 0.09 0.00 0.00 178.44 180.11 3k4l h ALA 602 N 1.08 1.12 -0.56 1.53 0.00 -0.79 -0.85 119.26 120.80 3k4l h ALA 602 Ca 0.20 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3k4l h ALA 602 Cb 0.44 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3k4l h ALA 602 CO 0.01 0.52 0.30 0.82 0.00 0.00 0.00 179.25 180.91 3k4l h ILE 603 N 1.20 0.98 -0.71 0.00 2.04 -0.94 -0.49 117.51 119.58 3k4l h ILE 603 Ca 0.32 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 3k4l h ILE 603 Cb -0.14 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3k4l h ILE 603 CO -0.07 0.11 0.17 0.50 0.00 0.00 0.00 178.15 178.86 3k4l h LYS 604 N 0.58 1.15 -0.56 2.37 3.64 -1.11 -1.21 116.57 121.42 3k4l h LYS 604 Ca 0.24 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3k4l h LYS 604 Cb 0.13 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3k4l h LYS 604 CO -0.15 1.01 0.33 1.03 -2.27 0.00 0.00 179.45 179.40 3k4l h SER 605 N 1.08 0.68 -0.69 4.20 0.87 -0.79 -2.37 113.55 116.54 3k4l h SER 605 Ca 0.22 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3k4l h SER 605 Cb 0.38 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 3k4l h SER 605 CO 0.00 0.55 0.45 0.00 -0.53 0.00 0.00 176.83 177.31 3k4l h GLU 607 N 0.90 0.36 -0.72 0.00 5.08 -0.75 0.63 114.58 120.07 3k4l h GLU 607 Ca 0.26 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3k4l h GLU 607 Cb -0.05 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3k4l h GLU 607 CO -0.06 0.24 0.45 -0.92 -1.00 0.00 0.00 179.01 177.71 3k4l h TYR 608 N 0.37 0.83 -0.37 4.33 5.03 -0.89 -1.91 116.97 124.36 3k4l h TYR 608 Ca 0.18 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 3k4l h TYR 608 Cb 0.13 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 3k4l h TYR 608 CO -0.12 0.46 0.20 0.82 -1.32 0.00 0.00 178.16 178.20 3k4l h ILE 609 N 0.86 1.15 0.00 1.81 2.04 -0.80 -1.88 117.51 120.69 3k4l h ILE 609 Ca 0.30 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3k4l h ILE 609 Cb 0.05 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3k4l h ILE 609 CO -0.12 0.15 -0.08 0.11 0.00 0.00 0.00 178.15 178.21 3k4l h LYS 610 N 0.47 0.00 0.00 2.37 1.57 -0.60 -0.76 116.57 119.61 3k4l h LYS 610 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3k4l h LYS 610 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3k4l h LYS 610 CO -0.02 0.08 -0.04 1.96 -0.57 0.00 0.00 179.45 180.86 3k4l h GLN 611 N 0.00 0.00 0.00 3.15 4.20 -0.58 -3.40 115.11 118.48 3k4l h GLN 611 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k4l h GLN 611 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3k4l h GLN 611 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 3k4l n ASN 612 N -2.41 0.12 -3.93 1.46 3.02 -0.63 -5.06 115.26 107.82 3k4l n ASN 612 Ca 0.05 -0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 54.02 3k4l n ASN 612 Cb 0.45 0.37 -0.15 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.37 0.40 -0.17 3.10 0.08 -0.39 -5.06 117.98 115.57 3k4l s PHE 613 Ca 0.00 -0.07 -0.08 0.00 0.12 0.00 0.00 56.93 56.90 3k4l s PHE 613 Cb 0.00 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.13 3k4l s PHE 613 CO 0.00 -0.02 0.09 0.99 -0.10 0.00 0.00 175.22 176.18 3k4l s THR 614 N 0.02 5.06 0.73 0.64 2.01 -1.26 -4.71 115.64 118.13 3k4l s THR 614 Ca 0.00 0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 3k4l s THR 614 Cb -0.03 -3.26 0.04 0.00 0.01 0.00 0.00 72.50 69.25 3k4l s THR 614 CO -0.00 0.50 1.23 -2.65 -0.69 0.00 0.00 174.62 173.01 3k4l n PRO 615 N 3.12 0.62 -1.89 4.92 -0.02 -1.26 -4.99 135.00 135.50 3k4l n PRO 615 Ca -0.17 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.26 3k4l n PRO 615 Cb 0.53 -2.47 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3k4l n PRO 615 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k4l s SER 616 N -1.76 5.43 0.38 2.55 1.04 -1.26 -5.00 113.70 115.08 3k4l s SER 616 Ca 0.78 1.90 -0.28 0.00 0.48 0.00 0.00 55.95 58.83 3k4l s SER 616 Cb -0.33 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.13 3k4l s SER 616 CO 0.46 -1.41 1.50 -2.65 0.98 0.00 0.00 173.24 172.12 3k4l n PRO 617 N -2.25 2.70 0.00 4.02 -0.02 -1.26 -4.88 135.00 133.31 3k4l n PRO 617 Ca 0.10 0.95 0.09 0.00 -2.02 0.00 0.00 63.50 62.61 3k4l n PRO 617 Cb 0.52 -2.68 0.54 0.00 -0.02 0.00 0.00 33.50 31.86 3k4l n PRO 617 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82