#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m s LYS 46 N 0.00 4.14 0.19 9.51 2.47 -1.26 -4.13 119.74 130.65 3k4m s LYS 46 Ca 0.00 -0.06 0.05 0.00 -1.56 0.00 0.00 55.97 54.40 3k4m s LYS 46 Cb 0.00 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.82 3k4m s LYS 46 CO 0.00 0.06 0.18 0.71 0.16 0.00 0.00 175.35 176.46 3k4m s TYR 47 N 1.04 3.20 0.12 4.03 1.51 -0.59 -5.03 117.35 121.63 3k4m s TYR 47 Ca 0.13 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 3k4m s TYR 47 Cb -0.14 -1.51 -0.07 0.00 -0.11 0.00 0.00 41.96 40.13 3k4m s TYR 47 CO 0.05 0.51 1.44 -0.44 -1.11 0.00 0.00 175.55 176.00 3k4m h ASP 48 N 2.08 0.85 -3.62 2.29 3.32 -1.24 -2.97 116.42 117.13 3k4m h ASP 48 Ca -0.48 -0.47 -0.23 0.00 0.02 0.00 0.00 57.03 55.86 3k4m h ASP 48 Cb 1.21 -0.24 -0.30 0.00 0.22 0.00 0.00 39.33 40.22 3k4m h ASP 48 CO 0.63 1.15 -0.63 -0.69 -1.72 0.00 0.00 179.24 177.98 3k4m s VAL 49 N -4.35 -0.02 -0.01 -1.35 1.01 -0.60 -1.72 120.40 113.35 3k4m s VAL 49 Ca -0.12 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3k4m s VAL 49 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 3k4m s VAL 49 CO 0.85 0.04 -0.21 0.68 0.00 0.00 0.00 175.10 176.46 3k4m s VAL 50 N 0.56 2.50 -0.11 2.92 -7.23 -0.69 -0.94 120.40 117.41 3k4m s VAL 50 Ca -0.04 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 3k4m s VAL 50 Cb -0.06 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.94 3k4m s VAL 50 CO -0.02 0.52 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.44 3k4m s ILE 51 N -0.72 1.97 -0.39 -0.62 1.01 -0.03 -0.82 121.20 121.59 3k4m s ILE 51 Ca 0.11 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 3k4m s ILE 51 Cb -0.10 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.66 3k4m s ILE 51 CO 0.01 0.54 0.42 -0.69 0.00 0.00 0.00 174.94 175.21 3k4m s VAL 52 N 0.55 5.11 0.00 2.92 1.01 -0.40 -0.81 120.40 128.77 3k4m s VAL 52 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3k4m s VAL 52 Cb -0.17 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3k4m s VAL 52 CO 0.05 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.45 3k4m n GLY 53 N 5.04 2.38 0.94 4.51 0.00 0.21 0.06 105.19 118.34 3k4m n GLY 53 Ca -0.08 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.53 3k4m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4m n SER 54 N 0.00 3.60 -2.74 1.61 3.41 -1.26 -4.39 113.62 113.84 3k4m n SER 54 Ca 0.00 -3.17 -0.11 0.00 -0.26 0.00 0.00 58.87 55.33 3k4m n SER 54 Cb 0.00 -0.56 0.08 0.00 -0.26 0.00 0.00 64.21 63.46 3k4m n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4m n GLY 55 N -0.66 -1.21 0.25 5.00 0.00 -1.26 -2.25 105.19 105.06 3k4m n GLY 55 Ca 0.24 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.73 3k4m n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m h PRO 56 N 0.00 0.00 0.03 1.61 0.13 -1.93 -1.08 132.00 130.76 3k4m h PRO 56 Ca -0.17 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.69 3k4m h PRO 56 Cb 0.46 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 3k4m h PRO 56 CO 0.12 0.00 -1.47 0.82 -0.23 0.00 0.00 178.00 177.24 3k4m h ILE 57 N 0.00 1.17 0.00 -3.56 1.08 -1.92 -2.12 117.51 112.15 3k4m h ILE 57 Ca 0.00 -2.92 -0.11 0.00 -0.39 0.00 0.00 64.86 61.44 3k4m h ILE 57 Cb 0.42 2.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.78 3k4m h ILE 57 CO 0.00 0.73 -0.53 1.23 -0.69 0.00 0.00 178.15 178.89 3k4m h GLY 58 N 2.82 0.00 2.00 5.37 0.00 -1.60 -2.79 103.07 108.87 3k4m h GLY 58 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3k4m h GLY 58 CO 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.29 3k4m h THR 60 N 0.00 0.89 -0.62 0.00 2.02 -1.10 0.35 112.91 114.45 3k4m h THR 60 Ca -0.00 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3k4m h THR 60 Cb 1.11 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3k4m h THR 60 CO 0.05 0.02 0.13 1.88 0.37 0.00 0.00 175.52 177.96 3k4m h TYR 61 N -0.20 1.07 0.37 3.16 0.05 -1.39 -0.49 116.97 119.54 3k4m h TYR 61 Ca -0.02 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 3k4m h TYR 61 Cb 0.16 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 3k4m h TYR 61 CO -0.06 0.91 -0.45 0.00 -1.05 0.00 0.00 178.16 177.51 3k4m h ALA 62 N 1.04 -0.95 -0.52 3.88 0.00 -1.09 0.54 119.26 122.16 3k4m h ALA 62 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3k4m h ALA 62 Cb 0.40 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3k4m h ALA 62 CO 0.01 -1.08 0.34 -0.09 0.00 0.00 0.00 179.25 178.43 3k4m h ARG 63 N -0.85 0.68 -0.05 0.00 2.43 -0.64 0.71 114.38 116.66 3k4m h ARG 63 Ca -0.03 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 3k4m h ARG 63 Cb 0.77 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3k4m h ARG 63 CO -0.11 0.45 -0.52 0.93 -1.51 0.00 0.00 179.97 179.21 3k4m h GLU 64 N 0.70 0.44 0.08 0.20 4.39 -0.89 -2.86 114.58 116.64 3k4m h GLU 64 Ca 0.19 -0.41 -0.35 0.00 0.34 0.00 0.00 59.36 59.14 3k4m h GLU 64 Cb -0.08 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3k4m h GLU 64 CO -0.04 1.05 -1.96 1.28 -1.16 0.00 0.00 179.01 178.18 3k4m n LEU 65 N -4.26 2.13 -0.01 1.33 4.77 0.16 -1.90 117.00 119.23 3k4m n LEU 65 Ca -0.09 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 3k4m n LEU 65 Cb 0.62 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3k4m n LEU 65 CO 0.46 0.73 0.71 0.58 -1.33 0.00 0.00 177.39 178.54 3k4m h VAL 66 N 0.05 0.46 -0.90 4.08 2.07 0.26 -1.88 116.25 120.38 3k4m h VAL 66 Ca -0.40 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3k4m h VAL 66 Cb 2.03 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3k4m h VAL 66 CO 0.08 0.00 0.59 1.23 0.02 0.00 0.00 177.57 179.49 3k4m h GLY 67 N -0.26 1.29 0.50 2.17 0.00 -1.58 -1.35 103.07 103.83 3k4m h GLY 67 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3k4m h GLY 67 CO -0.31 0.41 0.00 0.00 0.00 0.00 0.00 176.54 176.64 3k4m n ALA 68 N -2.40 2.31 -0.14 3.60 0.00 -0.80 -4.88 120.51 118.21 3k4m n ALA 68 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3k4m n ALA 68 Cb 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3k4m n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 69 N 0.37 0.93 3.86 0.00 0.00 -0.51 -4.93 105.19 104.90 3k4m n GLY 69 Ca 0.09 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3k4m n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4m s TYR 70 N -2.00 3.41 -0.70 1.61 1.51 -0.73 -4.65 117.35 115.80 3k4m s TYR 70 Ca 0.00 1.13 -0.26 0.00 -1.01 0.00 0.00 57.07 56.93 3k4m s TYR 70 Cb 0.00 -2.48 0.04 0.00 -0.11 0.00 0.00 41.96 39.41 3k4m s TYR 70 CO 0.00 0.04 1.18 0.21 -1.11 0.00 0.00 175.55 175.87 3k4m s LYS 71 N -3.25 3.20 -0.10 -0.62 2.20 -1.26 -4.34 119.74 115.56 3k4m s LYS 71 Ca 0.53 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 3k4m s LYS 71 Cb -0.10 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.01 3k4m s LYS 71 CO 0.22 -2.00 -0.04 0.08 -0.36 0.00 0.00 175.35 173.25 3k4m s VAL 72 N 5.18 3.89 -0.05 4.02 1.01 -0.67 -0.73 120.40 133.04 3k4m s VAL 72 Ca 0.32 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3k4m s VAL 72 Cb -0.10 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3k4m s VAL 72 CO 0.15 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.63 3k4m s ALA 73 N -0.41 2.51 -0.05 5.51 0.00 -0.11 -1.48 121.76 127.72 3k4m s ALA 73 Ca 0.06 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.05 3k4m s ALA 73 Cb -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.14 3k4m s ALA 73 CO 0.02 0.52 -0.14 1.41 0.00 0.00 0.00 175.76 177.57 3k4m s MET 74 N -0.58 1.70 -0.14 0.00 -2.45 0.11 -0.85 119.30 117.08 3k4m s MET 74 Ca 0.08 -0.49 -0.01 0.00 -1.25 0.00 0.00 55.69 54.03 3k4m s MET 74 Cb -0.11 -1.43 -0.01 0.00 1.25 0.00 0.00 34.83 34.52 3k4m s MET 74 CO 0.01 0.12 -0.12 -0.06 1.05 0.00 0.00 175.02 176.02 3k4m s PHE 75 N 0.36 2.83 -0.01 4.11 0.08 0.01 0.06 117.98 125.41 3k4m s PHE 75 Ca -0.09 -0.72 0.06 0.00 0.12 0.00 0.00 56.93 56.30 3k4m s PHE 75 Cb -0.13 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3k4m s PHE 75 CO 0.03 -0.27 -0.20 0.34 -0.10 0.00 0.00 175.22 175.02 3k4m s ASP 76 N 0.51 2.30 0.32 1.36 -1.08 -0.36 -0.62 116.67 119.10 3k4m s ASP 76 Ca -0.08 -0.37 0.26 0.00 -0.52 0.00 0.00 52.55 51.84 3k4m s ASP 76 Cb -0.16 -0.25 0.82 0.00 -1.46 0.00 0.00 42.92 41.87 3k4m s ASP 76 CO 0.04 0.23 1.75 -0.29 0.52 0.00 0.00 175.17 177.43 3k4m h ILE 77 N 4.63 0.00 -1.80 4.11 2.10 -1.81 0.15 117.51 124.88 3k4m h ILE 77 Ca -0.39 -0.54 -0.47 0.00 1.08 0.00 0.00 64.86 64.54 3k4m h ILE 77 Cb 1.14 1.48 0.06 0.00 -1.09 0.00 0.00 36.82 38.42 3k4m h ILE 77 CO 0.48 0.00 0.02 -0.83 -1.08 0.00 0.00 178.15 176.74 3k4m s GLY 78 N -3.79 1.77 0.31 8.18 0.00 -1.26 -4.19 107.32 108.34 3k4m s GLY 78 Ca 0.07 -1.80 0.10 0.00 0.00 0.00 0.00 44.72 43.10 3k4m s GLY 78 CO 0.56 -1.30 -0.12 -0.54 0.00 0.00 0.00 173.10 171.70 3k4m s GLU 79 N -4.95 1.82 -0.17 2.90 2.02 -1.26 -1.62 118.70 117.44 3k4m s GLU 79 Ca 0.64 -1.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.52 3k4m s GLU 79 Cb -0.06 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 3k4m s GLU 79 CO 0.42 0.23 1.54 0.42 0.02 0.00 0.00 175.26 177.90 3k4m s ILE 80 N -2.54 3.80 -0.05 -1.63 1.01 -1.26 -1.71 121.20 118.81 3k4m s ILE 80 Ca 0.32 0.93 0.07 0.00 0.00 0.00 0.00 60.65 61.97 3k4m s ILE 80 Cb -0.02 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.84 3k4m s ILE 80 CO 0.16 -0.22 1.05 -0.67 0.00 0.00 0.00 174.94 175.26 3k4m n ASP 81 N 7.73 0.90 -2.23 3.58 2.03 -1.26 -4.91 116.55 122.39 3k4m n ASP 81 Ca 0.17 -2.39 0.01 0.00 0.52 0.00 0.00 54.79 53.10 3k4m n ASP 81 Cb 0.45 -0.28 0.04 0.00 -0.72 0.00 0.00 41.12 40.61 3k4m n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3k4m n SER 82 N -0.54 1.49 -0.00 1.67 7.64 -1.26 -5.00 113.62 117.61 3k4m n SER 82 Ca 0.06 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.81 3k4m n SER 82 Cb 0.67 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 3k4m n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 83 N -0.20 -1.21 0.19 0.23 0.00 -1.26 -4.17 105.19 98.78 3k4m n GLY 83 Ca 0.08 -1.25 0.08 0.00 0.00 0.00 0.00 46.02 44.93 3k4m n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4m h LEU 84 N 0.00 0.00 -8.62 0.99 3.38 -2.01 -3.40 115.31 105.65 3k4m h LEU 84 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3k4m h LEU 84 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3k4m h LEU 84 CO 0.00 0.24 0.34 -0.54 0.09 0.00 0.00 178.44 178.57 3k4m s LYS 85 N -3.26 3.39 -0.04 1.13 1.02 -1.26 -4.98 119.74 115.74 3k4m s LYS 85 Ca 0.04 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 3k4m s LYS 85 Cb 0.07 -3.94 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 3k4m s LYS 85 CO 0.68 -1.12 1.51 0.42 -0.92 0.00 0.00 175.35 175.92 3k4m s ILE 86 N 3.26 3.69 0.00 2.17 1.01 -1.26 -2.81 121.20 127.26 3k4m s ILE 86 Ca 0.29 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.89 3k4m s ILE 86 Cb -0.12 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3k4m s ILE 86 CO 0.22 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3k4m n GLY 87 N 3.87 0.60 3.92 6.18 0.00 -1.26 -4.27 105.19 114.22 3k4m n GLY 87 Ca 0.15 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3k4m n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 88 N -2.00 3.10 0.12 4.61 0.00 -1.12 -2.91 121.76 123.56 3k4m s ALA 88 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 3k4m s ALA 88 Cb 0.00 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 3k4m s ALA 88 CO 0.00 -1.17 1.34 -1.58 0.00 0.00 0.00 175.76 174.35 3k4m s HIS 89 N -3.23 3.28 -1.18 0.00 2.46 -1.26 -4.54 115.29 110.82 3k4m s HIS 89 Ca 0.58 1.06 0.21 0.00 0.47 0.00 0.00 55.06 57.38 3k4m s HIS 89 Cb -0.11 -3.63 0.96 0.00 -0.13 0.00 0.00 32.58 29.68 3k4m s HIS 89 CO 0.46 -2.12 1.67 1.63 -2.47 0.00 0.00 174.74 173.92 3k4m n LYS 90 N 3.70 0.13 -0.21 2.88 5.02 -0.31 -2.26 118.16 127.10 3k4m n LYS 90 Ca 0.10 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3k4m n LYS 90 Cb 0.43 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.18 3k4m n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4m n LYS 91 N -1.41 2.50 -0.80 1.97 4.81 -1.26 -4.25 118.16 119.72 3k4m n LYS 91 Ca 0.07 -2.27 -0.12 0.00 -0.87 0.00 0.00 58.31 55.11 3k4m n LYS 91 Cb 0.21 -1.52 0.03 0.00 0.02 0.00 0.00 35.03 33.77 3k4m n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4m n ASN 92 N 1.45 6.18 -4.59 3.14 3.02 -0.96 -4.45 115.26 119.05 3k4m n ASN 92 Ca 0.20 -2.89 -0.31 0.00 -0.03 0.00 0.00 54.58 51.55 3k4m n ASN 92 Cb 0.59 -1.08 -0.10 0.00 -0.61 0.00 0.00 39.78 38.58 3k4m n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4m s THR 93 N -1.68 3.53 0.31 3.41 -4.23 -1.26 -5.00 115.64 110.71 3k4m s THR 93 Ca 0.23 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3k4m s THR 93 Cb 0.18 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.73 3k4m s THR 93 CO -0.01 0.26 1.87 0.58 -0.54 0.00 0.00 174.62 176.78 3k4m h VAL 94 N 3.49 0.94 -0.43 2.29 2.07 -1.98 -2.29 116.25 120.34 3k4m h VAL 94 Ca -0.48 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3k4m h VAL 94 Cb 1.17 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3k4m h VAL 94 CO 0.53 0.17 0.01 -0.08 0.02 0.00 0.00 177.57 178.22 3k4m h GLU 95 N 0.93 0.76 -0.60 1.57 4.57 -1.95 -0.97 114.58 118.88 3k4m h GLU 95 Ca 0.45 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 3k4m h GLU 95 Cb 0.46 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3k4m h GLU 95 CO -0.21 0.83 0.07 1.88 -1.18 0.00 0.00 179.01 180.39 3k4m h TYR 96 N 0.60 1.06 0.00 0.92 0.05 -1.81 -0.01 116.97 117.77 3k4m h TYR 96 Ca 0.12 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3k4m h TYR 96 Cb 0.48 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3k4m h TYR 96 CO 0.04 0.91 0.00 1.04 -1.05 0.00 0.00 178.16 179.10 3k4m n GLN 97 N -4.21 0.19 0.04 4.88 6.02 -0.88 -0.56 117.38 122.86 3k4m n GLN 97 Ca 0.04 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.35 3k4m n GLN 97 Cb 0.29 -1.75 0.15 0.00 1.02 0.00 0.00 30.24 29.95 3k4m n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k4m n LYS 98 N -2.09 0.25 -2.59 -1.09 5.02 -0.38 -4.45 118.16 112.82 3k4m n LYS 98 Ca 0.05 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 3k4m n LYS 98 Cb 0.37 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3k4m n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4m n ASN 99 N -1.98 2.59 0.07 4.39 3.02 -0.06 -4.98 115.26 118.31 3k4m n ASN 99 Ca 0.03 -3.03 0.05 0.00 -0.03 0.00 0.00 54.58 51.60 3k4m n ASN 99 Cb 0.42 -0.50 0.48 0.00 -0.61 0.00 0.00 39.78 39.57 3k4m n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4m h ILE 100 N 2.97 1.07 -0.11 2.41 -0.00 -1.05 0.25 117.51 123.06 3k4m h ILE 100 Ca 0.04 -0.14 0.03 0.00 -0.00 0.00 0.00 64.86 64.79 3k4m h ILE 100 Cb 1.11 0.63 -0.00 0.00 -0.00 0.00 0.00 36.82 38.56 3k4m h ILE 100 CO 0.60 0.07 0.12 0.44 -0.00 0.00 0.00 178.15 179.39 3k4m h ASP 101 N 0.41 0.00 -0.00 2.19 3.32 -1.84 -1.35 116.42 119.15 3k4m h ASP 101 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3k4m h ASP 101 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3k4m h ASP 101 CO -0.02 0.00 0.01 0.11 -1.72 0.00 0.00 179.24 177.61 3k4m h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -0.80 -2.83 116.57 118.29 3k4m h LYS 102 Ca 0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3k4m h LYS 102 Cb 0.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3k4m h LYS 102 CO -0.00 0.00 -0.24 0.35 -1.08 0.00 0.00 179.45 178.48 3k4m h PHE 103 N 0.00 0.00 -1.20 -1.35 3.57 -1.40 -2.35 116.94 114.20 3k4m h PHE 103 Ca 0.00 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.86 3k4m h PHE 103 Cb 0.01 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.65 3k4m h PHE 103 CO 0.00 0.24 0.79 0.28 -2.23 0.00 0.00 178.31 177.38 3k4m h VAL 104 N 0.00 0.31 0.02 1.41 2.07 -1.69 0.00 116.25 118.37 3k4m h VAL 104 Ca -0.00 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 3k4m h VAL 104 Cb 0.67 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3k4m h VAL 104 CO 0.03 0.04 -0.93 0.78 0.02 0.00 0.00 177.57 177.51 3k4m h ASN 105 N 0.21 0.18 -0.61 0.57 4.21 -1.67 -0.99 115.58 117.48 3k4m h ASN 105 Ca 0.70 -0.16 -0.06 0.00 1.21 0.00 0.00 56.30 57.99 3k4m h ASN 105 Cb 2.12 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 39.24 3k4m h ASN 105 CO -0.32 1.01 0.14 0.58 -1.29 0.00 0.00 177.43 177.55 3k4m h VAL 106 N 0.06 1.25 0.30 2.81 2.07 -1.15 -2.28 116.25 119.31 3k4m h VAL 106 Ca -0.04 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3k4m h VAL 106 Cb 1.59 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3k4m h VAL 106 CO 0.14 0.35 -0.14 0.40 0.02 0.00 0.00 177.57 178.33 3k4m h ILE 107 N 0.96 0.60 -0.99 4.57 2.04 -1.01 -3.09 117.51 120.59 3k4m h ILE 107 Ca 0.20 -0.77 0.21 0.00 1.00 0.00 0.00 64.86 65.51 3k4m h ILE 107 Cb 0.36 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 3k4m h ILE 107 CO 0.00 0.13 0.62 1.56 0.00 0.00 0.00 178.15 180.46 3k4m h GLN 108 N -0.89 0.58 0.00 2.37 4.20 -1.24 -0.46 115.11 119.67 3k4m h GLN 108 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3k4m h GLN 108 Cb 0.52 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3k4m h GLN 108 CO 0.07 0.38 0.00 0.41 -0.67 0.00 0.00 178.83 179.02 3k4m n GLY 109 N -1.40 -1.04 0.27 3.46 0.00 -0.86 -2.82 105.19 102.80 3k4m n GLY 109 Ca 0.23 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.17 3k4m n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLN 110 N -1.19 0.69 -3.49 1.61 10.64 -0.24 -4.97 117.38 120.43 3k4m n GLN 110 Ca 0.15 -1.83 -0.42 0.00 -1.83 0.00 0.00 57.00 53.07 3k4m n GLN 110 Cb 0.17 -1.03 -0.07 0.00 -0.86 0.00 0.00 30.24 28.45 3k4m n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4m s LEU 111 N -1.51 5.85 -0.33 2.61 1.43 -0.88 -3.87 118.68 121.98 3k4m s LEU 111 Ca 0.17 -1.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.17 3k4m s LEU 111 Cb 0.15 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3k4m s LEU 111 CO 0.02 -0.72 0.35 -0.04 0.23 0.00 0.00 176.35 176.19 3k4m s MET 112 N 1.32 3.62 0.29 1.70 -1.94 -0.22 -4.84 119.30 119.23 3k4m s MET 112 Ca 0.06 -0.38 -0.28 0.00 -1.71 0.00 0.00 55.69 53.38 3k4m s MET 112 Cb -0.26 -3.78 -0.14 0.00 2.01 0.00 0.00 34.83 32.65 3k4m s MET 112 CO -0.00 -0.48 0.99 0.43 -0.01 0.00 0.00 175.02 175.95 3k4m n SER 113 N 5.35 1.22 -0.04 3.03 7.64 -1.26 -0.54 113.62 129.01 3k4m n SER 113 Ca -0.09 1.18 -0.15 0.00 1.01 0.00 0.00 58.87 60.81 3k4m n SER 113 Cb 0.50 -1.28 -0.13 0.00 -1.01 0.00 0.00 64.21 62.29 3k4m n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4m h VAL 114 N 1.96 1.72 -2.13 0.44 2.07 -1.65 -3.45 116.25 115.20 3k4m h VAL 114 Ca -0.39 -2.30 -0.26 0.00 0.82 0.00 0.00 66.70 64.57 3k4m h VAL 114 Cb 1.34 3.27 -0.32 0.00 -1.52 0.00 0.00 31.29 34.06 3k4m h VAL 114 CO 0.60 0.61 -0.58 -0.55 0.02 0.00 0.00 177.57 177.68 3k4m s SER 115 N -6.33 1.04 -0.27 0.57 0.15 -1.26 -4.67 113.70 102.92 3k4m s SER 115 Ca -0.18 -0.28 -0.09 0.00 0.70 0.00 0.00 55.95 56.10 3k4m s SER 115 Cb -0.02 0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 64.98 3k4m s SER 115 CO 0.72 -0.34 0.13 -0.69 1.20 0.00 0.00 173.24 174.25 3k4m s VAL 116 N 2.42 4.69 0.89 4.45 1.01 -1.26 -4.73 120.40 127.87 3k4m s VAL 116 Ca 0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3k4m s VAL 116 Cb -0.15 -3.25 0.12 0.00 0.00 0.00 0.00 36.38 33.10 3k4m s VAL 116 CO -0.22 0.25 1.09 -2.16 0.00 0.00 0.00 175.10 174.07 3k4m s PRO 117 N 1.66 1.33 0.29 2.72 0.04 -1.26 0.00 135.00 139.78 3k4m s PRO 117 Ca 0.06 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 3k4m s PRO 117 Cb -0.16 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 3k4m s PRO 117 CO 0.07 -2.18 1.46 0.08 0.04 0.00 0.00 177.00 176.47 3k4m s VAL 118 N -2.97 2.42 -0.02 -0.36 1.01 -1.25 -4.59 120.40 114.65 3k4m s VAL 118 Ca 0.63 0.38 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 3k4m s VAL 118 Cb -0.17 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3k4m s VAL 118 CO 0.57 0.07 0.74 0.21 0.00 0.00 0.00 175.10 176.68 3k4m s ASN 119 N 0.18 7.10 -0.13 3.32 3.84 -1.26 -4.95 114.94 123.03 3k4m s ASN 119 Ca 0.58 1.31 0.15 0.00 0.21 0.00 0.00 52.86 55.11 3k4m s ASN 119 Cb -0.44 -2.44 0.32 0.00 -0.55 0.00 0.00 41.25 38.14 3k4m s ASN 119 CO 0.49 -0.06 1.16 0.35 -2.79 0.00 0.00 177.10 176.25 3k4m n THR 120 N 3.37 1.62 -2.26 -5.21 -2.24 -1.26 -4.82 114.28 103.47 3k4m n THR 120 Ca -0.02 -2.27 -0.41 0.00 -2.27 0.00 0.00 64.05 59.09 3k4m n THR 120 Cb 0.51 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3k4m n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 121 N -2.42 4.44 -0.40 3.22 1.43 -1.26 -4.99 118.68 118.70 3k4m s LEU 121 Ca 0.31 2.41 -0.22 0.00 -1.03 0.00 0.00 54.13 55.60 3k4m s LEU 121 Cb 0.29 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3k4m s LEU 121 CO -0.03 -0.44 0.71 -0.69 0.23 0.00 0.00 176.35 176.12 3k4m s VAL 122 N -0.34 4.78 -0.39 -1.59 1.01 -1.26 -5.03 120.40 117.58 3k4m s VAL 122 Ca 0.53 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.93 3k4m s VAL 122 Cb -0.36 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 31.89 3k4m s VAL 122 CO 0.41 -0.51 0.20 -0.69 0.00 0.00 0.00 175.10 174.51 3k4m s VAL 123 N 2.97 4.01 -0.15 2.92 1.01 -1.26 -4.91 120.40 125.00 3k4m s VAL 123 Ca 0.27 -1.33 0.17 0.00 0.00 0.00 0.00 61.98 61.09 3k4m s VAL 123 Cb -0.13 -3.40 0.33 0.00 0.00 0.00 0.00 36.38 33.17 3k4m s VAL 123 CO 0.18 -0.39 1.20 -0.90 0.00 0.00 0.00 175.10 175.20 3k4m n ASP 124 N 4.86 2.68 -1.05 3.32 5.68 -1.26 -4.48 116.55 126.30 3k4m n ASP 124 Ca -0.10 -3.00 -0.03 0.00 -0.50 0.00 0.00 54.79 51.16 3k4m n ASP 124 Cb 0.44 -0.43 0.18 0.00 -1.14 0.00 0.00 41.12 40.17 3k4m n ASP 124 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k4m n THR 125 N -1.15 2.44 -2.04 2.12 -2.24 -1.26 -5.02 114.28 107.12 3k4m n THR 125 Ca 0.16 -3.13 -0.33 0.00 -2.27 0.00 0.00 64.05 58.47 3k4m n THR 125 Cb 0.67 -0.40 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3k4m n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 126 N -3.30 3.55 0.45 3.22 1.43 -1.26 -5.01 118.68 117.76 3k4m s LEU 126 Ca 0.43 1.97 -0.25 0.00 -1.03 0.00 0.00 54.13 55.25 3k4m s LEU 126 Cb 0.40 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 3k4m s LEU 126 CO -0.03 -1.30 1.40 -0.55 0.23 0.00 0.00 176.35 176.10 3k4m s SER 127 N -2.41 5.89 0.26 2.29 0.15 -1.26 -4.89 113.70 113.73 3k4m s SER 127 Ca 0.67 2.85 0.16 0.00 0.70 0.00 0.00 55.95 60.33 3k4m s SER 127 Cb -0.19 -2.65 0.87 0.00 -1.71 0.00 0.00 66.02 62.34 3k4m s SER 127 CO 0.34 -1.16 1.46 -2.65 1.20 0.00 0.00 173.24 172.44 3k4m n PRO 128 N -0.23 0.10 0.17 5.44 -0.02 -1.26 -1.79 135.00 137.41 3k4m n PRO 128 Ca 0.05 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 3k4m n PRO 128 Cb 0.43 -1.90 0.20 0.00 -0.02 0.00 0.00 33.50 32.20 3k4m n PRO 128 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3k4m h THR 129 N 0.00 0.00 -3.82 3.45 1.35 -2.04 -3.46 112.91 108.38 3k4m h THR 129 Ca 0.00 -0.86 -0.50 0.00 -0.55 0.00 0.00 66.41 64.50 3k4m h THR 129 Cb 0.12 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3k4m h THR 129 CO 0.00 0.00 0.43 -0.44 -0.25 0.00 0.00 175.52 175.26 3k4m s SER 130 N -5.63 7.27 0.22 5.36 0.01 -0.74 -4.97 113.70 115.22 3k4m s SER 130 Ca 0.07 2.14 -0.31 0.00 1.31 0.00 0.00 55.95 59.16 3k4m s SER 130 Cb 0.08 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 3k4m s SER 130 CO 0.67 -0.13 1.60 0.86 0.41 0.00 0.00 173.24 176.65 3k4m s TRP 131 N -1.27 2.95 -0.02 2.43 -0.00 -1.26 -4.95 118.94 116.81 3k4m s TRP 131 Ca 0.46 0.64 0.01 0.00 -0.00 0.00 0.00 56.10 57.21 3k4m s TRP 131 Cb -0.28 -4.00 0.02 0.00 -0.00 0.00 0.00 33.47 29.20 3k4m s TRP 131 CO 0.36 -3.60 -0.02 -0.65 -0.00 0.00 0.00 176.95 173.04 3k4m s GLN 132 N 0.57 0.41 0.68 5.86 -1.52 -1.26 -5.12 119.66 119.28 3k4m s GLN 132 Ca 0.68 -0.03 -0.11 0.00 -1.95 0.00 0.00 55.36 53.95 3k4m s GLN 132 Cb -0.46 -0.50 0.00 0.00 -0.22 0.00 0.00 33.01 31.83 3k4m s GLN 132 CO 0.37 -0.05 1.06 0.00 -0.25 0.00 0.00 175.29 176.42 3k4m s ALA 133 N 0.64 2.97 -1.88 6.09 0.00 -1.26 -4.97 121.76 123.34 3k4m s ALA 133 Ca -0.07 -0.32 0.22 0.00 0.00 0.00 0.00 51.96 51.79 3k4m s ALA 133 Cb -0.10 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3k4m s ALA 133 CO -0.01 -1.01 1.05 0.43 0.00 0.00 0.00 175.76 176.22 3k4m n SER 134 N -2.91 1.90 -4.32 0.00 7.64 -1.26 -4.94 113.62 109.72 3k4m n SER 134 Ca 0.06 -1.45 -0.17 0.00 1.01 0.00 0.00 58.87 58.33 3k4m n SER 134 Cb 0.57 0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 3k4m n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4m s THR 135 N -2.48 0.72 -1.28 0.44 -4.23 -1.26 -5.05 115.64 102.50 3k4m s THR 135 Ca 0.17 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.56 3k4m s THR 135 Cb 0.17 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.62 3k4m s THR 135 CO 0.59 -0.11 1.76 0.49 -0.54 0.00 0.00 174.62 176.80 3k4m n PHE 136 N -0.45 3.84 -1.65 3.99 3.72 -1.26 -4.99 117.46 120.65 3k4m n PHE 136 Ca -0.02 -3.01 -0.29 0.00 -0.05 0.00 0.00 57.45 54.09 3k4m n PHE 136 Cb 0.66 -2.16 0.14 0.00 -0.94 0.00 0.00 39.48 37.18 3k4m n PHE 136 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3k4m s PHE 137 N 1.44 2.29 -0.37 1.38 -0.71 -1.26 -4.88 117.98 115.87 3k4m s PHE 137 Ca 0.43 0.71 -0.29 0.00 -1.04 0.00 0.00 56.93 56.74 3k4m s PHE 137 Cb 0.05 -3.55 -0.00 0.00 -1.21 0.00 0.00 43.02 38.32 3k4m s PHE 137 CO 0.00 -2.40 1.56 0.08 -1.34 0.00 0.00 175.22 173.12 3k4m s VAL 138 N -3.43 3.74 0.20 -2.49 1.01 -1.26 -4.83 120.40 113.34 3k4m s VAL 138 Ca 0.66 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 3k4m s VAL 138 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3k4m s VAL 138 CO 0.52 -0.61 0.17 0.00 0.00 0.00 0.00 175.10 175.19 3k4m s ARG 139 N 5.18 1.22 -1.05 2.72 1.70 -1.26 -4.91 118.95 122.55 3k4m s ARG 139 Ca 0.69 -1.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 3k4m s ARG 139 Cb -0.17 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 3k4m s ARG 139 CO 0.33 -0.41 0.00 0.09 -1.08 0.00 0.00 175.30 174.23 3k4m n ASN 140 N -0.27 -3.66 0.00 -2.89 3.02 -1.26 -0.97 115.26 109.23 3k4m n ASN 140 Ca 0.01 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3k4m n ASN 140 Cb 0.65 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 3k4m n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4m n GLY 141 N -0.69 0.75 3.80 7.41 0.00 -1.26 -5.03 105.19 110.16 3k4m n GLY 141 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3k4m n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4m s SER 142 N -2.70 5.83 -0.45 1.61 1.04 -0.15 -4.83 113.70 114.06 3k4m s SER 142 Ca 0.00 1.89 -0.19 0.00 0.48 0.00 0.00 55.95 58.13 3k4m s SER 142 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 3k4m s SER 142 CO 0.00 -1.14 0.54 0.21 0.98 0.00 0.00 173.24 173.84 3k4m s ASN 143 N -2.51 6.24 0.35 7.02 2.47 0.10 -4.72 114.94 123.89 3k4m s ASN 143 Ca 0.65 -0.64 0.27 0.00 0.42 0.00 0.00 52.86 53.56 3k4m s ASN 143 Cb -0.17 -2.27 1.13 0.00 -1.45 0.00 0.00 41.25 38.49 3k4m s ASN 143 CO 0.33 -0.71 1.80 1.55 -3.72 0.00 0.00 177.10 176.34 3k4m h PRO 144 N 8.84 0.00 0.00 0.43 0.13 -1.94 -2.68 132.00 136.77 3k4m h PRO 144 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 3k4m h PRO 144 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3k4m h PRO 144 CO 0.87 0.00 -0.38 0.93 -0.23 0.00 0.00 178.00 179.18 3k4m h GLU 145 N 0.00 0.00 -6.33 0.86 4.39 -1.95 -3.46 114.58 108.09 3k4m h GLU 145 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3k4m h GLU 145 Cb 0.37 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3k4m h GLU 145 CO 0.00 0.38 1.08 -1.14 -1.16 0.00 0.00 179.01 178.17 3k4m s GLN 146 N -3.40 3.79 -0.35 2.33 2.00 -1.01 -5.00 119.66 118.02 3k4m s GLN 146 Ca 0.01 1.44 -0.28 0.00 -2.00 0.00 0.00 55.36 54.53 3k4m s GLN 146 Cb 0.10 -3.99 -0.01 0.00 0.80 0.00 0.00 33.01 29.90 3k4m s GLN 146 CO 0.69 -1.29 1.74 0.34 -0.50 0.00 0.00 175.29 176.27 3k4m s ASP 147 N 3.82 5.94 0.66 6.67 -1.08 -1.26 -4.63 116.67 126.78 3k4m s ASP 147 Ca 0.66 1.21 0.30 0.00 -0.52 0.00 0.00 52.55 54.19 3k4m s ASP 147 Cb -0.21 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.34 3k4m s ASP 147 CO 0.28 -1.69 1.92 1.55 0.52 0.00 0.00 175.17 177.75 3k4m h PRO 148 N 12.61 0.00 -0.08 4.34 0.13 -1.95 -2.16 132.00 144.88 3k4m h PRO 148 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3k4m h PRO 148 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3k4m h PRO 148 CO 1.04 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.09 3k4m n LEU 149 N -2.99 2.55 -2.61 1.56 4.77 -1.26 -4.24 117.00 114.77 3k4m n LEU 149 Ca -0.01 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 54.97 3k4m n LEU 149 Cb 0.41 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3k4m n LEU 149 CO 0.15 0.45 0.01 0.54 -1.33 0.00 0.00 177.39 177.21 3k4m n ARG 150 N 0.97 2.03 -4.18 3.23 1.74 -0.81 -4.98 116.66 114.66 3k4m n ARG 150 Ca 0.16 -3.65 -0.24 0.00 -0.77 0.00 0.00 57.85 53.35 3k4m n ARG 150 Cb 0.51 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.22 3k4m n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4m s ASN 151 N -3.51 4.42 -0.75 0.55 2.47 -1.25 -0.96 114.94 115.91 3k4m s ASN 151 Ca 0.33 -1.00 0.02 0.00 0.42 0.00 0.00 52.86 52.64 3k4m s ASN 151 Cb 0.39 -0.54 0.18 0.00 -1.45 0.00 0.00 41.25 39.83 3k4m s ASN 151 CO -0.02 -0.42 0.57 -0.76 -3.72 0.00 0.00 177.10 172.75 3k4m s LEU 152 N -3.85 5.07 0.52 3.21 1.43 -1.26 -4.80 118.68 119.01 3k4m s LEU 152 Ca 0.39 -3.68 0.31 0.00 -1.03 0.00 0.00 54.13 50.12 3k4m s LEU 152 Cb 0.02 -1.75 1.20 0.00 0.03 0.00 0.00 46.19 45.69 3k4m s LEU 152 CO 0.22 -0.15 1.93 0.77 0.23 0.00 0.00 176.35 179.35 3k4m h SER 153 N 5.81 0.00 0.34 2.29 4.64 -1.73 -0.94 113.55 123.96 3k4m h SER 153 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3k4m h SER 153 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3k4m h SER 153 CO 0.76 0.05 -0.25 0.61 -0.87 0.00 0.00 176.83 177.13 3k4m n GLY 154 N 0.13 -0.83 3.77 -0.77 0.00 0.11 -4.82 105.19 102.79 3k4m n GLY 154 Ca 0.01 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3k4m n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4m s GLN 155 N -2.59 4.20 0.13 1.61 -1.52 -0.36 -3.59 119.66 117.54 3k4m s GLN 155 Ca 0.23 2.44 -0.19 0.00 -1.95 0.00 0.00 55.36 55.89 3k4m s GLN 155 Cb 0.19 -3.01 0.05 0.00 -0.22 0.00 0.00 33.01 30.02 3k4m s GLN 155 CO 0.54 -0.41 0.49 0.00 -0.25 0.00 0.00 175.29 175.65 3k4m s ALA 156 N -1.06 -1.22 0.13 6.09 0.00 -1.26 -1.73 121.76 122.72 3k4m s ALA 156 Ca 0.52 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.76 3k4m s ALA 156 Cb -0.44 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3k4m s ALA 156 CO 0.59 -0.68 -0.18 0.14 0.00 0.00 0.00 175.76 175.62 3k4m s VAL 157 N -3.69 1.66 -0.16 0.00 -7.23 0.30 -4.86 120.40 106.42 3k4m s VAL 157 Ca 0.02 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3k4m s VAL 157 Cb 0.01 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.30 3k4m s VAL 157 CO -0.12 -0.26 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.34 3k4m s THR 158 N -1.78 1.92 -0.80 5.32 2.01 -1.25 -1.06 115.64 120.01 3k4m s THR 158 Ca 0.11 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 3k4m s THR 158 Cb -0.07 -1.74 0.20 0.00 0.01 0.00 0.00 72.50 70.90 3k4m s THR 158 CO 0.05 0.52 0.65 -0.13 -0.69 0.00 0.00 174.62 175.02 3k4m s ARG 159 N 1.22 2.97 0.05 4.92 0.52 -1.26 -4.65 118.95 122.73 3k4m s ARG 159 Ca 0.02 -3.13 -0.10 0.00 -0.52 0.00 0.00 55.73 52.00 3k4m s ARG 159 Cb -0.14 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 31.53 3k4m s ARG 159 CO -0.10 -1.25 0.21 0.14 0.02 0.00 0.00 175.30 174.32 3k4m s VAL 160 N -1.09 0.11 0.21 3.52 -7.23 -1.26 -4.31 120.40 110.35 3k4m s VAL 160 Ca 0.25 -0.94 -0.31 0.00 -1.81 0.00 0.00 61.98 59.17 3k4m s VAL 160 Cb -0.10 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.71 3k4m s VAL 160 CO -0.11 -0.52 1.53 -0.69 -0.31 0.00 0.00 175.10 175.00 3k4m s VAL 161 N -2.93 2.56 0.00 1.32 1.01 -0.70 -1.02 120.40 120.65 3k4m s VAL 161 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3k4m s VAL 161 Cb 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3k4m s VAL 161 CO -0.06 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3k4m n GLY 162 N 3.05 0.95 7.00 4.51 0.00 -0.95 -4.27 105.19 115.47 3k4m n GLY 162 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3k4m n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLY 163 N -2.00 1.37 0.05 -0.02 0.00 -0.19 -1.82 105.19 102.59 3k4m n GLY 163 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3k4m n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4m n MET 164 N 7.49 0.07 0.00 1.61 0.00 -1.26 -2.10 117.12 122.93 3k4m n MET 164 Ca 0.00 0.34 0.10 0.00 0.00 0.00 0.00 57.70 58.15 3k4m n MET 164 Cb 0.00 -1.64 0.57 0.00 0.00 0.00 0.00 33.22 32.15 3k4m n MET 164 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3k4m n SER 165 N -1.78 0.00 -0.10 7.83 3.41 -0.75 -1.24 113.62 120.99 3k4m n SER 165 Ca 0.03 -0.31 0.14 0.00 -0.26 0.00 0.00 58.87 58.47 3k4m n SER 165 Cb 0.17 -0.16 0.67 0.00 -0.26 0.00 0.00 64.21 64.64 3k4m n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4m n THR 166 N -1.16 0.00 -0.68 6.66 -2.24 -0.89 -4.36 114.28 111.61 3k4m n THR 166 Ca 0.13 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3k4m n THR 166 Cb 0.12 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3k4m n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n HIS 167 N -0.96 0.00 -1.20 4.78 1.44 -0.37 -1.16 115.22 117.75 3k4m n HIS 167 Ca 0.16 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.57 3k4m n HIS 167 Cb 0.25 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.49 3k4m n HIS 167 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 3k4m s TRP 168 N -0.00 2.39 -1.49 -1.40 1.48 -0.82 -4.93 118.94 114.17 3k4m s TRP 168 Ca 0.00 1.40 0.30 0.00 -1.06 0.00 0.00 56.10 56.73 3k4m s TRP 168 Cb 0.00 -3.12 1.39 0.00 -1.16 0.00 0.00 33.47 30.58 3k4m s TRP 168 CO 0.00 -2.18 1.97 2.41 -4.06 0.00 0.00 176.95 175.09 3k4m n THR 169 N -3.76 0.00 -0.98 0.66 -1.04 -1.26 -4.92 114.28 102.97 3k4m n THR 169 Ca 0.08 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3k4m n THR 169 Cb 0.54 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3k4m n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4m s ALA 171 N -1.77 3.41 -0.58 0.00 0.00 -1.26 -0.83 121.76 120.73 3k4m s ALA 171 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.72 3k4m s ALA 171 Cb 0.00 -3.81 0.23 0.00 0.00 0.00 0.00 23.12 19.54 3k4m s ALA 171 CO 0.00 -1.73 0.64 0.25 0.00 0.00 0.00 175.76 174.92 3k4m n THR 172 N 6.04 1.38 -3.10 0.00 -2.24 -0.23 -4.75 114.28 111.39 3k4m n THR 172 Ca 0.19 -4.80 -0.31 0.00 -2.27 0.00 0.00 64.05 56.85 3k4m n THR 172 Cb 0.44 -2.06 -0.04 0.00 -2.10 0.00 0.00 70.33 66.57 3k4m n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4m s PRO 173 N -1.91 3.83 0.42 -0.78 0.04 -1.26 -4.77 135.00 130.57 3k4m s PRO 173 Ca 0.36 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.61 3k4m s PRO 173 Cb 0.12 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 3k4m s PRO 173 CO -0.07 0.11 1.11 1.03 0.04 0.00 0.00 177.00 179.23 3k4m s ARG 174 N -3.37 4.02 0.08 4.56 0.52 -1.26 -4.69 118.95 118.81 3k4m s ARG 174 Ca 0.51 1.67 -0.30 0.00 -0.52 0.00 0.00 55.73 57.08 3k4m s ARG 174 Cb -0.10 -2.54 -0.06 0.00 0.52 0.00 0.00 34.95 32.77 3k4m s ARG 174 CO 0.25 -0.30 1.17 -0.06 0.02 0.00 0.00 175.30 176.38 3k4m s PHE 175 N -1.56 3.47 0.96 -0.53 0.40 -1.26 -5.00 117.98 114.46 3k4m s PHE 175 Ca 0.59 1.37 -0.15 0.00 -0.60 0.00 0.00 56.93 58.15 3k4m s PHE 175 Cb -0.26 -3.38 0.17 0.00 0.51 0.00 0.00 43.02 40.06 3k4m s PHE 175 CO 0.32 -1.10 1.20 0.16 0.70 0.00 0.00 175.22 176.50 3k4m s ASP 176 N 0.85 3.15 0.24 1.36 -4.77 -1.26 -4.86 116.67 111.37 3k4m s ASP 176 Ca 0.57 0.65 -0.06 0.00 -3.30 0.00 0.00 52.55 50.41 3k4m s ASP 176 Cb -0.29 -0.98 0.24 0.00 -1.09 0.00 0.00 42.92 40.80 3k4m s ASP 176 CO 0.30 -2.75 1.86 0.03 0.70 0.00 0.00 175.17 175.32 3k4m h ARG 177 N -1.64 1.22 -0.25 2.11 3.08 -1.97 -2.45 114.38 114.47 3k4m h ARG 177 Ca -0.47 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 59.51 3k4m h ARG 177 Cb 1.29 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3k4m h ARG 177 CO 0.50 0.90 0.43 0.93 -1.07 0.00 0.00 179.97 181.66 3k4m h GLU 178 N 1.22 0.00 -0.01 0.04 5.08 -1.98 -2.42 114.58 116.52 3k4m h GLU 178 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3k4m h GLU 178 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3k4m h GLU 178 CO -0.05 0.00 -0.36 1.04 -1.00 0.00 0.00 179.01 178.65 3k4m n GLN 179 N -3.36 2.19 -4.63 2.33 6.02 -0.93 -4.89 117.38 114.12 3k4m n GLN 179 Ca 0.04 -0.50 -0.34 0.00 -0.01 0.00 0.00 57.00 56.19 3k4m n GLN 179 Cb 0.55 -1.15 -0.12 0.00 1.02 0.00 0.00 30.24 30.55 3k4m n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4m s ARG 180 N -1.77 3.01 0.56 -1.09 3.52 -0.91 -4.62 118.95 117.65 3k4m s ARG 180 Ca 0.09 -0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 54.92 3k4m s ARG 180 Cb 0.10 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 3k4m s ARG 180 CO 0.38 0.51 1.15 -1.25 -0.81 0.00 0.00 175.30 175.28 3k4m s PRO 181 N -0.40 3.24 0.10 5.12 0.04 -1.26 -4.95 135.00 136.88 3k4m s PRO 181 Ca 0.06 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 3k4m s PRO 181 Cb -0.12 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3k4m s PRO 181 CO 0.02 -0.95 0.99 -0.51 0.04 0.00 0.00 177.00 176.59 3k4m s LEU 182 N -3.91 4.47 -0.02 -3.56 1.43 -1.26 -4.93 118.68 110.91 3k4m s LEU 182 Ca 0.74 1.81 0.18 0.00 -1.03 0.00 0.00 54.13 55.83 3k4m s LEU 182 Cb -0.25 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.13 3k4m s LEU 182 CO 0.29 -0.13 0.51 0.18 0.23 0.00 0.00 176.35 177.44 3k4m n LEU 183 N 2.96 0.28 -3.94 1.79 4.77 -1.26 -4.92 117.00 116.68 3k4m n LEU 183 Ca 0.03 -0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.61 3k4m n LEU 183 Cb 0.49 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.42 3k4m n LEU 183 CO 0.52 0.07 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.52 3k4m s VAL 184 N -3.04 0.82 0.28 4.08 1.01 -1.26 -5.03 120.40 117.26 3k4m s VAL 184 Ca -0.02 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 3k4m s VAL 184 Cb 0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 3k4m s VAL 184 CO 0.74 0.29 0.95 -1.59 0.00 0.00 0.00 175.10 175.48 3k4m s LYS 185 N 0.91 4.73 -1.39 2.72 -2.85 -1.26 -4.40 119.74 118.20 3k4m s LYS 185 Ca -0.11 1.43 -0.06 0.00 -1.00 0.00 0.00 55.97 56.23 3k4m s LYS 185 Cb -0.15 -3.07 0.01 0.00 -2.06 0.00 0.00 37.83 32.56 3k4m s LYS 185 CO 0.01 0.41 0.80 -0.25 0.10 0.00 0.00 175.35 176.41 3k4m n ASP 186 N 1.08 -5.99 -2.73 0.03 8.00 -1.26 -4.90 116.55 110.78 3k4m n ASP 186 Ca -0.00 -0.37 -0.03 0.00 0.71 0.00 0.00 54.79 55.10 3k4m n ASP 186 Cb 0.48 -4.73 0.02 0.00 -0.02 0.00 0.00 41.12 36.87 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4m s ASP 187 N -2.96 -0.61 0.20 -2.24 -1.08 -1.26 -5.05 116.67 103.66 3k4m s ASP 187 Ca 0.40 -0.66 -0.06 0.00 -0.52 0.00 0.00 52.55 51.70 3k4m s ASP 187 Cb -0.17 0.80 0.13 0.00 -1.46 0.00 0.00 42.92 42.22 3k4m s ASP 187 CO 0.49 -0.03 1.62 0.00 0.52 0.00 0.00 175.17 177.77 3k4m h ALA 188 N 4.65 0.83 -0.29 3.66 0.00 -1.90 0.05 119.26 126.26 3k4m h ALA 188 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3k4m h ALA 188 Cb 1.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3k4m h ALA 188 CO -0.07 0.65 -0.14 -0.44 0.00 0.00 0.00 179.25 179.25 3k4m h ASP 189 N 0.77 0.49 -0.22 0.00 3.32 -1.98 0.27 116.42 119.08 3k4m h ASP 189 Ca 0.11 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 3k4m h ASP 189 Cb 0.71 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3k4m h ASP 189 CO 0.05 0.66 -0.46 0.00 -1.72 0.00 0.00 179.24 177.78 3k4m h ALA 190 N 1.39 0.62 -0.37 3.45 0.00 -1.77 0.11 119.26 122.70 3k4m h ALA 190 Ca 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3k4m h ALA 190 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3k4m h ALA 190 CO 0.03 0.68 0.18 0.22 0.00 0.00 0.00 179.25 180.36 3k4m h ASP 191 N 0.62 0.49 -0.08 0.00 3.58 -0.66 -1.68 116.42 118.69 3k4m h ASP 191 Ca 0.04 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 3k4m h ASP 191 Cb 1.03 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 3k4m h ASP 191 CO 0.10 0.48 0.04 0.44 -2.88 0.00 0.00 179.24 177.42 3k4m h ASP 192 N 0.47 0.10 -0.72 2.28 3.32 -0.23 0.23 116.42 121.86 3k4m h ASP 192 Ca 0.13 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.19 3k4m h ASP 192 Cb 0.12 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3k4m h ASP 192 CO -0.02 0.15 0.47 0.00 -1.72 0.00 0.00 179.24 178.13 3k4m h ALA 193 N 0.95 1.82 -0.05 3.45 0.00 -0.88 -0.31 119.26 124.23 3k4m h ALA 193 Ca 0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3k4m h ALA 193 Cb 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3k4m h ALA 193 CO -0.00 0.04 -0.65 1.49 0.00 0.00 0.00 179.25 180.13 3k4m h GLU 194 N 0.65 0.54 -0.42 0.00 4.57 -0.54 -2.05 114.58 117.32 3k4m h GLU 194 Ca 0.33 -0.51 -0.10 0.00 -1.18 0.00 0.00 59.36 57.90 3k4m h GLU 194 Cb 0.42 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3k4m h GLU 194 CO -0.11 1.14 -0.15 -1.49 -1.18 0.00 0.00 179.01 177.21 3k4m h TRP 195 N 0.12 0.87 -0.40 0.92 4.06 -0.60 -1.72 115.95 119.19 3k4m h TRP 195 Ca -0.07 -0.17 -0.16 0.00 2.06 0.00 0.00 58.89 60.56 3k4m h TRP 195 Cb 1.32 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 3k4m h TRP 195 CO 0.12 0.88 -0.36 0.22 -3.56 0.00 0.00 178.44 175.74 3k4m h ASP 196 N 0.70 1.01 0.08 -3.49 3.58 -1.10 0.12 116.42 117.32 3k4m h ASP 196 Ca 0.11 -0.45 0.02 0.00 0.42 0.00 0.00 57.03 57.13 3k4m h ASP 196 Cb 0.64 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 3k4m h ASP 196 CO 0.05 1.25 -0.48 -0.09 -2.88 0.00 0.00 179.24 177.08 3k4m h ARG 197 N 0.78 -0.67 0.01 0.28 2.43 -1.21 -1.34 114.38 114.67 3k4m h ARG 197 Ca 0.07 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3k4m h ARG 197 Cb 0.95 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3k4m h ARG 197 CO 0.09 -0.44 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.03 3k4m h LEU 198 N -0.69 -0.02 -1.55 3.80 3.38 -1.24 -2.65 115.31 116.35 3k4m h LEU 198 Ca 0.01 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.03 3k4m h LEU 198 Cb 0.72 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3k4m h LEU 198 CO -0.29 0.09 0.50 1.88 0.09 0.00 0.00 178.44 180.70 3k4m h TYR 199 N -0.12 0.52 -0.23 1.13 0.05 -0.77 -0.05 116.97 117.51 3k4m h TYR 199 Ca -0.00 0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.60 3k4m h TYR 199 Cb 0.11 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.69 3k4m h TYR 199 CO -0.04 0.21 -0.62 1.15 -1.05 0.00 0.00 178.16 177.80 3k4m h THR 200 N 0.46 1.28 -0.23 -2.88 2.02 -0.98 0.18 112.91 112.75 3k4m h THR 200 Ca 0.36 -1.82 -0.09 0.00 0.77 0.00 0.00 66.41 65.63 3k4m h THR 200 Cb 0.77 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3k4m h THR 200 CO -0.12 0.59 -0.21 0.50 0.37 0.00 0.00 175.52 176.65 3k4m h LYS 201 N 0.60 0.55 -0.28 6.66 3.64 -1.21 -2.36 116.57 124.16 3k4m h LYS 201 Ca -0.01 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 3k4m h LYS 201 Cb 1.23 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 3k4m h LYS 201 CO 0.13 0.86 0.03 0.00 -2.27 0.00 0.00 179.45 178.20 3k4m h ALA 202 N 0.68 0.27 -0.43 5.00 0.00 -0.78 -0.03 119.26 123.97 3k4m h ALA 202 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3k4m h ALA 202 Cb 0.75 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3k4m h ALA 202 CO 0.05 -0.39 0.29 0.93 0.00 0.00 0.00 179.25 180.14 3k4m h GLU 203 N 0.12 0.27 0.00 0.00 5.08 -0.54 -1.25 114.58 118.26 3k4m h GLU 203 Ca 0.13 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3k4m h GLU 203 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3k4m h GLU 203 CO -0.20 0.18 -0.75 0.66 -1.00 0.00 0.00 179.01 177.89 3k4m h SER 204 N 0.28 0.00 -0.24 1.42 4.64 -0.51 0.35 113.55 119.49 3k4m h SER 204 Ca 0.19 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 3k4m h SER 204 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3k4m h SER 204 CO -0.04 0.75 -0.27 1.88 -0.87 0.00 0.00 176.83 178.29 3k4m h TYR 205 N 0.00 0.84 -0.00 4.77 -1.99 -0.12 -3.21 116.97 117.26 3k4m h TYR 205 Ca -0.01 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.52 3k4m h TYR 205 Cb 1.37 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.91 3k4m h TYR 205 CO 0.00 0.92 -0.54 1.19 -0.00 0.00 0.00 178.16 179.73 3k4m n PHE 206 N -4.09 0.00 -3.54 4.88 3.72 -0.65 -3.86 117.46 113.92 3k4m n PHE 206 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 3k4m n PHE 206 Cb 0.45 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.93 3k4m n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4m n GLN 207 N -1.07 -5.68 -2.19 -1.08 1.13 -0.04 -4.00 117.38 104.45 3k4m n GLN 207 Ca 0.07 0.75 -0.38 0.00 -1.94 0.00 0.00 57.00 55.51 3k4m n GLN 207 Cb 0.36 -5.56 -0.01 0.00 0.11 0.00 0.00 30.24 25.14 3k4m n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4m s THR 208 N -3.49 2.95 0.17 5.09 2.01 -0.29 -2.64 115.64 119.43 3k4m s THR 208 Ca 0.02 0.74 -0.20 0.00 0.31 0.00 0.00 61.69 62.57 3k4m s THR 208 Cb -0.00 -3.39 0.05 0.00 0.01 0.00 0.00 72.50 69.16 3k4m s THR 208 CO 0.77 0.02 0.55 -0.83 -0.69 0.00 0.00 174.62 174.44 3k4m s GLY 209 N -1.19 -0.39 -0.18 4.40 0.00 -0.65 -4.90 107.32 104.41 3k4m s GLY 209 Ca 0.62 0.15 0.13 0.00 0.00 0.00 0.00 44.72 45.63 3k4m s GLY 209 CO 0.39 -0.05 1.20 -1.30 0.00 0.00 0.00 173.10 173.33 3k4m n THR 210 N -0.34 1.97 -0.24 0.90 -2.24 -1.26 -0.53 114.28 112.53 3k4m n THR 210 Ca -0.14 -2.88 0.00 0.00 -2.27 0.00 0.00 64.05 58.75 3k4m n THR 210 Cb 0.64 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3k4m n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4m n ASP 211 N -1.05 0.82 0.11 3.42 5.75 -1.26 -4.66 116.55 119.69 3k4m n ASP 211 Ca 0.17 -1.07 0.13 0.00 -0.01 0.00 0.00 54.79 54.01 3k4m n ASP 211 Cb 0.71 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.22 3k4m n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4m n GLN 212 N -0.03 0.26 -0.06 0.11 3.00 -1.26 -3.04 117.38 116.35 3k4m n GLN 212 Ca 0.00 0.25 0.06 0.00 -0.01 0.00 0.00 57.00 57.29 3k4m n GLN 212 Cb 0.08 -1.82 0.08 0.00 0.00 0.00 0.00 30.24 28.58 3k4m n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4m n PHE 213 N -2.27 0.00 0.02 1.08 3.01 -1.26 -4.80 117.46 113.23 3k4m n PHE 213 Ca 0.05 -0.75 0.19 0.00 1.01 0.00 0.00 57.45 57.95 3k4m n PHE 213 Cb 0.40 -0.11 0.69 0.00 -0.01 0.00 0.00 39.48 40.46 3k4m n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4m h LYS 214 N 0.00 0.00 -0.45 -1.08 2.10 -1.86 -1.70 116.57 113.58 3k4m h LYS 214 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 3k4m h LYS 214 Cb 0.85 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.10 3k4m h LYS 214 CO 0.00 0.00 0.08 0.39 -2.00 0.00 0.00 179.45 177.92 3k4m n GLU 215 N -4.39 2.93 -3.06 0.07 1.02 -1.26 -4.86 120.64 111.09 3k4m n GLU 215 Ca 0.09 -3.02 -0.40 0.00 -0.02 0.00 0.00 57.16 53.81 3k4m n GLU 215 Cb 0.57 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 3k4m n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4m s SER 216 N -1.78 6.90 0.20 1.62 0.15 -0.64 -4.88 113.70 115.27 3k4m s SER 216 Ca 0.47 1.08 -0.11 0.00 0.70 0.00 0.00 55.95 58.10 3k4m s SER 216 Cb 0.39 -2.39 0.17 0.00 -1.71 0.00 0.00 66.02 62.48 3k4m s SER 216 CO 0.08 -0.18 1.84 0.40 1.20 0.00 0.00 173.24 176.58 3k4m h ILE 217 N 4.90 1.08 -0.48 6.45 2.04 -1.89 -0.75 117.51 128.85 3k4m h ILE 217 Ca -0.37 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.10 3k4m h ILE 217 Cb 1.18 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3k4m h ILE 217 CO 0.77 0.14 -0.17 0.03 0.00 0.00 0.00 178.15 178.93 3k4m h ARG 218 N 0.79 0.95 0.23 2.37 3.08 -1.92 0.35 114.38 120.23 3k4m h ARG 218 Ca 0.27 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3k4m h ARG 218 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3k4m h ARG 218 CO -0.11 1.03 -0.11 1.25 -1.07 0.00 0.00 179.97 180.96 3k4m h HIS 219 N 0.83 -0.29 -0.52 3.04 2.76 -1.77 -0.62 115.15 118.59 3k4m h HIS 219 Ca 0.12 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3k4m h HIS 219 Cb 0.72 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.75 3k4m h HIS 219 CO 0.04 -0.07 0.22 -0.91 -1.30 0.00 0.00 177.93 175.92 3k4m h ASN 220 N -0.47 0.66 -0.46 3.26 2.35 -1.11 0.39 115.58 120.21 3k4m h ASN 220 Ca -0.03 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3k4m h ASN 220 Cb 0.35 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3k4m h ASN 220 CO 0.05 0.59 0.24 0.25 -1.65 0.00 0.00 177.43 176.91 3k4m h LEU 221 N 0.73 0.59 0.01 1.61 5.85 0.01 0.40 115.31 124.51 3k4m h LEU 221 Ca 0.18 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 3k4m h LEU 221 Cb 0.12 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.01 3k4m h LEU 221 CO -0.02 0.52 -0.40 0.58 -0.34 0.00 0.00 178.44 178.78 3k4m h VAL 222 N 0.61 1.51 -0.23 1.05 2.07 -0.98 -2.91 116.25 117.37 3k4m h VAL 222 Ca 0.16 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.69 3k4m h VAL 222 Cb 0.07 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3k4m h VAL 222 CO -0.02 0.57 -0.06 0.25 0.02 0.00 0.00 177.57 178.33 3k4m h LEU 223 N -0.36 -0.22 -0.69 2.57 5.85 -0.13 -2.54 115.31 119.78 3k4m h LEU 223 Ca -0.05 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3k4m h LEU 223 Cb 1.15 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3k4m h LEU 223 CO 0.08 -0.08 -0.18 0.78 -0.34 0.00 0.00 178.44 178.70 3k4m h ASN 224 N -0.01 0.83 -0.58 1.25 2.35 -1.00 -1.27 115.58 117.15 3k4m h ASN 224 Ca 0.11 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 3k4m h ASN 224 Cb 0.17 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3k4m h ASN 224 CO -0.24 1.00 0.26 0.50 -1.65 0.00 0.00 177.43 177.31 3k4m h LYS 225 N 0.73 0.87 0.09 0.81 1.63 -1.30 -1.33 116.57 118.07 3k4m h LYS 225 Ca 0.11 -0.13 -0.27 0.00 -0.85 0.00 0.00 60.65 59.51 3k4m h LYS 225 Cb 0.69 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3k4m h LYS 225 CO 0.05 0.70 -1.16 -0.07 -3.45 0.00 0.00 179.45 175.52 3k4m h LEU 226 N 0.87 0.63 -0.93 5.20 3.38 -1.40 -0.14 115.31 122.91 3k4m h LEU 226 Ca 0.21 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3k4m h LEU 226 Cb 0.14 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3k4m h LEU 226 CO -0.02 1.41 0.60 0.74 0.09 0.00 0.00 178.44 181.26 3k4m h THR 227 N 0.19 1.13 0.02 0.22 2.02 -1.02 -2.35 112.91 113.12 3k4m h THR 227 Ca -0.14 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3k4m h THR 227 Cb 1.84 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3k4m h THR 227 CO 0.21 0.21 -0.01 -0.08 0.37 0.00 0.00 175.52 176.22 3k4m h GLU 228 N 1.14 -0.02 -0.33 6.66 4.57 -1.24 -2.44 114.58 122.92 3k4m h GLU 228 Ca 0.38 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.61 3k4m h GLU 228 Cb 0.05 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3k4m h GLU 228 CO -0.14 0.52 0.23 0.93 -1.18 0.00 0.00 179.01 179.37 3k4m h GLU 229 N -0.58 0.21 -0.27 1.92 4.39 -0.82 -1.76 114.58 117.68 3k4m h GLU 229 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3k4m h GLU 229 Cb 0.55 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3k4m h GLU 229 CO 0.00 0.14 0.00 0.66 -1.16 0.00 0.00 179.01 178.65 3k4m n TYR 230 N -4.48 0.90 -1.71 4.33 4.02 -0.90 -5.01 117.16 114.31 3k4m n TYR 230 Ca 0.04 -0.84 -0.62 0.00 -0.01 0.00 0.00 57.90 56.46 3k4m n TYR 230 Cb 0.24 -0.29 -0.08 0.00 -0.02 0.00 0.00 39.34 39.19 3k4m n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4m n LYS 231 N -0.41 0.53 -0.80 -0.72 5.02 -0.66 -0.31 118.16 120.80 3k4m n LYS 231 Ca 0.20 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3k4m n LYS 231 Cb 0.85 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3k4m n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4m n GLY 232 N 3.81 0.73 0.00 0.72 0.00 -1.26 -4.82 105.19 104.37 3k4m n GLY 232 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3k4m n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4m n GLN 233 N -2.45 0.64 -3.93 1.61 6.02 0.58 -5.10 117.38 114.74 3k4m n GLN 233 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3k4m n GLN 233 Cb 0.00 -0.71 -0.10 0.00 1.02 0.00 0.00 30.24 30.45 3k4m n GLN 233 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m s ARG 234 N -1.41 0.40 -0.11 -1.09 0.52 -0.90 -5.10 118.95 111.25 3k4m s ARG 234 Ca 0.00 -0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 3k4m s ARG 234 Cb 0.00 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 3k4m s ARG 234 CO 0.00 -0.08 0.05 -0.51 0.02 0.00 0.00 175.30 174.78 3k4m s ASP 235 N -1.45 5.66 0.14 0.23 1.01 -1.26 -4.64 116.67 116.35 3k4m s ASP 235 Ca -0.15 0.25 0.11 0.00 0.71 0.00 0.00 52.55 53.46 3k4m s ASP 235 Cb -0.09 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 3k4m s ASP 235 CO 0.00 0.37 -0.26 -0.36 0.21 0.00 0.00 175.17 175.13 3k4m s PHE 236 N -0.80 2.26 0.36 4.23 0.40 -1.26 -4.18 117.98 118.99 3k4m s PHE 236 Ca 0.13 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 3k4m s PHE 236 Cb -0.12 -1.21 0.05 0.00 0.51 0.00 0.00 43.02 42.25 3k4m s PHE 236 CO 0.03 0.35 0.69 0.00 0.70 0.00 0.00 175.22 176.99 3k4m n GLN 237 N 0.82 0.99 -2.36 0.44 10.64 -0.77 -4.99 117.38 122.14 3k4m n GLN 237 Ca -0.17 -2.17 -0.41 0.00 -1.83 0.00 0.00 57.00 52.42 3k4m n GLN 237 Cb 0.54 2.57 -0.04 0.00 -0.86 0.00 0.00 30.24 32.45 3k4m n GLN 237 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 3k4m s GLN 238 N -2.20 4.53 -0.01 2.61 0.74 -1.26 -1.30 119.66 122.78 3k4m s GLN 238 Ca 0.17 1.91 -0.37 0.00 0.05 0.00 0.00 55.36 57.12 3k4m s GLN 238 Cb -0.04 -3.18 -0.16 0.00 1.10 0.00 0.00 33.01 30.73 3k4m s GLN 238 CO 0.13 0.02 1.53 -0.89 -0.55 0.00 0.00 175.29 175.52 3k4m n ILE 239 N 1.62 0.13 -2.06 -2.34 5.41 0.20 -4.73 119.36 117.59 3k4m n ILE 239 Ca 0.01 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 3k4m n ILE 239 Cb 0.44 -1.13 -0.03 0.00 -0.71 0.00 0.00 39.64 38.21 3k4m n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4m s PRO 240 N 1.63 4.25 -0.04 0.38 0.02 -1.26 -4.73 135.00 135.26 3k4m s PRO 240 Ca 0.88 2.18 0.04 0.00 0.02 0.00 0.00 61.00 64.12 3k4m s PRO 240 Cb -0.91 -3.46 -0.00 0.00 0.02 0.00 0.00 34.50 30.14 3k4m s PRO 240 CO 0.50 -0.61 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.88 3k4m s LEU 241 N 2.07 1.93 -0.70 -5.54 1.43 0.31 -1.07 118.68 117.11 3k4m s LEU 241 Ca 0.69 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.18 3k4m s LEU 241 Cb -0.37 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 44.94 3k4m s LEU 241 CO 0.30 0.16 1.22 0.00 0.23 0.00 0.00 176.35 178.26 3k4m s ALA 242 N -0.04 2.85 0.00 4.21 0.00 -0.01 -1.63 121.76 127.14 3k4m s ALA 242 Ca -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3k4m s ALA 242 Cb -0.10 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.86 3k4m s ALA 242 CO 0.02 -3.09 0.00 0.00 0.00 0.00 0.00 175.76 172.69 3k4m n ALA 243 N 8.96 0.00 -4.01 0.00 0.00 -1.08 -1.67 120.51 122.71 3k4m n ALA 243 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 3k4m n ALA 243 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 3k4m n ALA 243 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k4m s THR 244 N -2.00 1.62 0.12 0.00 2.01 -0.56 -4.63 115.64 112.20 3k4m s THR 244 Ca 0.00 -0.87 -0.31 0.00 0.31 0.00 0.00 61.69 60.82 3k4m s THR 244 Cb 0.00 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.78 3k4m s THR 244 CO 0.00 0.28 1.76 -0.60 -0.69 0.00 0.00 174.62 175.37 3k4m s ARG 245 N 1.43 4.16 -0.05 4.92 3.52 -1.26 -0.23 118.95 131.43 3k4m s ARG 245 Ca 0.01 2.51 0.20 0.00 -0.13 0.00 0.00 55.73 58.32 3k4m s ARG 245 Cb -0.15 -3.52 -0.30 0.00 -1.56 0.00 0.00 34.95 29.42 3k4m s ARG 245 CO -0.09 -0.79 0.39 0.54 -0.81 0.00 0.00 175.30 174.54 3k4m n ARG 246 N 5.39 0.66 -3.81 5.12 5.12 -0.03 -4.88 116.66 124.22 3k4m n ARG 246 Ca 0.17 -0.16 -0.09 0.00 -1.93 0.00 0.00 57.85 55.84 3k4m n ARG 246 Cb 0.38 -1.48 0.02 0.00 -1.16 0.00 0.00 32.46 30.22 3k4m n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4m s SER 247 N -4.46 0.00 0.08 0.55 1.04 -0.87 -4.95 113.70 105.10 3k4m s SER 247 Ca -0.08 -1.13 0.17 0.00 0.48 0.00 0.00 55.95 55.40 3k4m s SER 247 Cb 0.12 0.84 0.73 0.00 0.10 0.00 0.00 66.02 67.81 3k4m s SER 247 CO 0.83 -1.67 1.54 -2.65 0.98 0.00 0.00 173.24 172.27 3k4m n PRO 248 N -0.53 0.06 0.00 4.02 -0.02 -1.26 -2.69 135.00 134.59 3k4m n PRO 248 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3k4m n PRO 248 Cb 0.60 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3k4m n PRO 248 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k4m n THR 249 N -1.74 0.87 -3.66 3.45 -2.24 -1.26 -4.79 114.28 104.91 3k4m n THR 249 Ca 0.03 -0.90 -0.21 0.00 -2.27 0.00 0.00 64.05 60.70 3k4m n THR 249 Cb 0.19 0.57 -0.18 0.00 -2.10 0.00 0.00 70.33 68.81 3k4m n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4m s PHE 250 N -0.87 0.08 -0.20 4.78 2.19 -1.09 -4.91 117.98 117.94 3k4m s PHE 250 Ca 0.00 0.16 -0.08 0.00 0.33 0.00 0.00 56.93 57.35 3k4m s PHE 250 Cb 0.00 -0.51 -0.04 0.00 -1.31 0.00 0.00 43.02 41.16 3k4m s PHE 250 CO 0.00 -0.25 0.07 0.08 1.83 0.00 0.00 175.22 176.95 3k4m s VAL 251 N 2.17 4.70 -0.77 3.12 1.01 -1.26 -0.85 120.40 128.52 3k4m s VAL 251 Ca 0.04 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 3k4m s VAL 251 Cb -0.13 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.20 3k4m s VAL 251 CO -0.04 0.42 1.06 -0.70 0.00 0.00 0.00 175.10 175.83 3k4m s GLU 252 N 0.76 3.30 0.32 2.72 2.12 0.68 -4.85 118.70 123.74 3k4m s GLU 252 Ca 0.04 -1.14 -0.28 0.00 0.36 0.00 0.00 54.97 53.95 3k4m s GLU 252 Cb -0.13 -4.52 -0.09 0.00 0.26 0.00 0.00 34.13 29.64 3k4m s GLU 252 CO 0.02 -1.84 1.06 -1.58 -0.54 0.00 0.00 175.26 172.39 3k4m s TRP 253 N 3.72 3.52 0.76 5.30 0.52 -1.26 -1.50 118.94 130.00 3k4m s TRP 253 Ca 0.27 1.71 -0.10 0.00 0.02 0.00 0.00 56.10 58.00 3k4m s TRP 253 Cb -0.12 -3.20 0.07 0.00 -1.15 0.00 0.00 33.47 29.08 3k4m s TRP 253 CO 0.03 -0.46 1.10 -1.12 0.02 0.00 0.00 176.95 176.52 3k4m s SER 254 N -1.14 4.68 0.26 2.95 0.01 -0.67 -4.52 113.70 115.26 3k4m s SER 254 Ca 0.49 0.65 -0.20 0.00 1.31 0.00 0.00 55.95 58.20 3k4m s SER 254 Cb -0.28 -1.23 0.07 0.00 0.21 0.00 0.00 66.02 64.79 3k4m s SER 254 CO 0.35 -1.75 0.95 -0.94 0.41 0.00 0.00 173.24 172.27 3k4m s SER 255 N -4.54 0.01 0.32 2.44 1.04 -1.26 -4.70 113.70 107.01 3k4m s SER 255 Ca 0.61 -0.86 0.10 0.00 0.48 0.00 0.00 55.95 56.28 3k4m s SER 255 Cb -0.11 0.63 0.90 0.00 0.10 0.00 0.00 66.02 67.54 3k4m s SER 255 CO 0.47 -1.25 1.73 0.00 0.98 0.00 0.00 173.24 175.17 3k4m h ALA 256 N 2.00 1.82 -1.00 5.32 0.00 -1.77 -2.13 119.26 123.51 3k4m h ALA 256 Ca -0.29 0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3k4m h ALA 256 Cb 1.23 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3k4m h ALA 256 CO 0.38 -0.29 0.64 -0.97 0.00 0.00 0.00 179.25 179.00 3k4m h ASN 257 N 0.57 0.96 -0.93 0.00 -0.73 -1.61 0.39 115.58 114.23 3k4m h ASN 257 Ca 0.64 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.86 3k4m h ASN 257 Cb 1.25 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 39.63 3k4m h ASN 257 CO -0.47 0.54 0.61 0.74 -0.37 0.00 0.00 177.43 178.49 3k4m h THR 258 N 1.05 1.22 -0.03 -3.57 2.02 -1.71 -2.95 112.91 108.94 3k4m h THR 258 Ca 0.47 -0.42 -0.21 0.00 0.77 0.00 0.00 66.41 67.02 3k4m h THR 258 Cb 0.39 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3k4m h THR 258 CO -0.23 0.23 -0.87 0.58 0.37 0.00 0.00 175.52 175.60 3k4m h VAL 259 N 1.24 1.40 -1.73 3.16 2.07 -0.93 -3.46 116.25 118.00 3k4m h VAL 259 Ca 0.35 -2.36 0.07 0.00 0.82 0.00 0.00 66.70 65.58 3k4m h VAL 259 Cb -0.11 2.32 -0.24 0.00 -1.52 0.00 0.00 31.29 31.73 3k4m h VAL 259 CO -0.08 0.70 0.23 0.12 0.02 0.00 0.00 177.57 178.56 3k4m s PHE 260 N -3.38 -0.78 -1.54 1.57 5.36 -0.15 -4.73 117.98 114.33 3k4m s PHE 260 Ca -0.06 1.57 0.28 0.00 -0.96 0.00 0.00 56.93 57.76 3k4m s PHE 260 Cb 0.09 0.47 1.46 0.00 -0.34 0.00 0.00 43.02 44.70 3k4m s PHE 260 CO 0.86 -0.39 1.97 -0.40 -1.46 0.00 0.00 175.22 175.80 3k4m n ASP 261 N 3.96 0.00 -1.41 6.13 5.68 -1.19 -3.69 116.55 126.01 3k4m n ASP 261 Ca -0.19 -0.26 -0.15 0.00 -0.50 0.00 0.00 54.79 53.68 3k4m n ASP 261 Cb 0.58 -0.23 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 3k4m n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4m n LEU 262 N -1.23 -1.09 -4.77 -2.12 4.77 -1.26 -4.17 117.00 107.13 3k4m n LEU 262 Ca 0.15 0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 56.12 3k4m n LEU 262 Cb 0.20 -2.27 -0.03 0.00 -2.33 0.00 0.00 43.42 38.98 3k4m n LEU 262 CO 0.20 -0.82 0.79 -1.10 -1.33 0.00 0.00 177.39 175.13 3k4m s GLN 263 N -3.28 4.24 0.37 3.23 -1.52 -1.26 -4.82 119.66 116.63 3k4m s GLN 263 Ca 0.00 1.70 -0.28 0.00 -1.95 0.00 0.00 55.36 54.83 3k4m s GLN 263 Cb 0.00 -2.75 -0.11 0.00 -0.22 0.00 0.00 33.01 29.93 3k4m s GLN 263 CO 0.00 -0.12 1.44 0.09 -0.25 0.00 0.00 175.29 176.45 3k4m n ASN 264 N 0.29 3.51 -4.30 5.90 4.13 -1.26 -4.86 115.26 118.68 3k4m n ASN 264 Ca 0.03 1.22 -0.25 0.00 1.68 0.00 0.00 54.58 57.26 3k4m n ASN 264 Cb 0.47 -1.59 -0.13 0.00 -1.54 0.00 0.00 39.78 37.00 3k4m n ASN 264 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3k4m s ARG 265 N -2.07 1.19 0.52 3.52 0.52 0.31 -4.27 118.95 118.66 3k4m s ARG 265 Ca 0.54 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 54.41 3k4m s ARG 265 Cb -0.50 -1.47 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 3k4m s ARG 265 CO 0.63 0.35 1.00 -1.25 0.02 0.00 0.00 175.30 176.05 3k4m s PRO 266 N -1.86 3.83 0.25 3.54 0.04 -0.29 -1.38 135.00 139.14 3k4m s PRO 266 Ca 0.07 1.07 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 3k4m s PRO 266 Cb -0.10 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3k4m s PRO 266 CO 0.04 -0.37 0.38 0.54 0.04 0.00 0.00 177.00 177.62 3k4m s ASN 267 N -2.79 0.15 0.42 6.66 2.20 -0.99 -4.90 114.94 115.69 3k4m s ASN 267 Ca 0.61 -1.15 0.18 0.00 -0.94 0.00 0.00 52.86 51.56 3k4m s ASN 267 Cb -0.12 0.54 1.10 0.00 -2.00 0.00 0.00 41.25 40.78 3k4m s ASN 267 CO 0.29 -1.08 1.85 0.74 -2.94 0.00 0.00 177.10 175.96 3k4m h THR 268 N 2.33 0.67 0.00 0.54 2.02 -1.98 -0.03 112.91 116.46 3k4m h THR 268 Ca -0.29 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 66.57 3k4m h THR 268 Cb 1.25 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3k4m h THR 268 CO 0.41 0.07 -0.94 0.44 0.37 0.00 0.00 175.52 175.87 3k4m h ASP 269 N 0.38 0.00 -2.06 4.18 3.32 -1.99 -3.39 116.42 116.86 3k4m h ASP 269 Ca 0.47 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.95 3k4m h ASP 269 Cb 1.21 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.36 3k4m h ASP 269 CO -0.17 0.84 -1.03 0.00 -1.72 0.00 0.00 179.24 177.15 3k4m n ALA 270 N -2.33 2.67 0.37 3.45 0.00 -0.17 -4.97 120.51 119.52 3k4m n ALA 270 Ca -0.01 -3.56 0.12 0.00 0.00 0.00 0.00 53.44 49.99 3k4m n ALA 270 Cb 0.89 -0.82 0.51 0.00 0.00 0.00 0.00 19.45 20.03 3k4m n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k4m n PRO 271 N 1.45 0.20 -0.10 0.00 -0.04 -0.34 -2.19 135.00 133.97 3k4m n PRO 271 Ca 0.23 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 3k4m n PRO 271 Cb 0.51 -1.89 0.15 0.00 -0.04 0.00 0.00 33.50 32.23 3k4m n PRO 271 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k4m n GLU 272 N -2.27 2.27 -3.99 0.54 -0.58 -1.26 -4.73 120.64 110.62 3k4m n GLU 272 Ca 0.02 -2.04 -0.24 0.00 -0.42 0.00 0.00 57.16 54.47 3k4m n GLU 272 Cb 0.22 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 3k4m n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k4m s GLU 273 N -1.59 3.32 -0.23 3.49 2.02 -0.93 -4.96 118.70 119.81 3k4m s GLU 273 Ca 0.32 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 3k4m s GLU 273 Cb 0.20 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.64 3k4m s GLU 273 CO 0.29 0.47 0.02 1.03 0.02 0.00 0.00 175.26 177.08 3k4m s ARG 274 N -3.55 1.04 -0.05 1.61 0.52 -1.26 -1.13 118.95 116.12 3k4m s ARG 274 Ca 0.34 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3k4m s ARG 274 Cb -0.10 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.10 3k4m s ARG 274 CO 0.28 -0.70 0.13 0.12 0.02 0.00 0.00 175.30 175.14 3k4m s PHE 275 N 1.62 -0.14 -0.04 -0.53 5.36 -0.48 -1.67 117.98 122.10 3k4m s PHE 275 Ca -0.00 0.39 0.02 0.00 -0.96 0.00 0.00 56.93 56.38 3k4m s PHE 275 Cb -0.18 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.47 3k4m s PHE 275 CO -0.11 -0.12 -0.09 -0.80 -1.46 0.00 0.00 175.22 172.65 3k4m s ASN 276 N 0.71 1.30 -0.09 6.13 -0.87 -0.55 -0.53 114.94 121.04 3k4m s ASN 276 Ca -0.05 -0.20 -0.01 0.00 -1.57 0.00 0.00 52.86 51.02 3k4m s ASN 276 Cb -0.07 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.25 40.65 3k4m s ASN 276 CO -0.03 0.03 -0.04 -0.22 -2.57 0.00 0.00 177.10 174.27 3k4m s LEU 277 N 0.46 3.34 -0.30 0.60 2.96 -1.26 0.05 118.68 124.53 3k4m s LEU 277 Ca -0.08 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3k4m s LEU 277 Cb -0.12 -1.75 0.09 0.00 0.50 0.00 0.00 46.19 44.91 3k4m s LEU 277 CO 0.01 0.34 0.07 -0.36 -1.32 0.00 0.00 176.35 175.09 3k4m s PHE 278 N -0.64 2.13 0.73 5.38 0.08 0.11 -4.94 117.98 120.83 3k4m s PHE 278 Ca 0.10 -1.92 -0.08 0.00 0.12 0.00 0.00 56.93 55.14 3k4m s PHE 278 Cb -0.12 -1.89 0.06 0.00 -0.57 0.00 0.00 43.02 40.51 3k4m s PHE 278 CO 0.02 -0.86 1.06 -2.14 -0.10 0.00 0.00 175.22 173.20 3k4m s PRO 279 N 1.47 2.21 -1.36 0.24 0.02 -1.26 -1.22 135.00 135.10 3k4m s PRO 279 Ca 0.08 -0.09 -0.09 0.00 0.02 0.00 0.00 61.00 60.92 3k4m s PRO 279 Cb -0.18 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.25 3k4m s PRO 279 CO -0.19 -1.30 1.16 0.00 -0.33 0.00 0.00 177.00 176.34 3k4m n ALA 280 N -3.02 -1.29 -3.92 -1.55 0.00 0.24 -4.86 120.51 106.11 3k4m n ALA 280 Ca 0.08 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 3k4m n ALA 280 Cb 0.60 -5.45 -0.16 0.00 0.00 0.00 0.00 19.45 14.44 3k4m n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4m s VAL 281 N -3.31 1.35 -0.26 0.00 1.01 0.25 -1.49 120.40 117.95 3k4m s VAL 281 Ca 0.57 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3k4m s VAL 281 Cb -0.25 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3k4m s VAL 281 CO 0.71 0.02 1.22 0.00 0.00 0.00 0.00 175.10 177.05 3k4m s ALA 282 N 1.50 3.50 0.02 5.51 0.00 -0.33 -2.75 121.76 129.21 3k4m s ALA 282 Ca -0.03 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.87 3k4m s ALA 282 Cb -0.17 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 3k4m s ALA 282 CO -0.07 -1.49 0.71 0.00 0.00 0.00 0.00 175.76 174.91 3k4m n GLU 284 N 2.92 0.38 -3.75 0.00 1.02 -0.31 -4.98 120.64 115.92 3k4m n GLU 284 Ca -0.03 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3k4m n GLU 284 Cb 0.51 -1.05 -0.09 0.00 -0.02 0.00 0.00 31.44 30.79 3k4m n GLU 284 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k4m s ARG 285 N -2.05 0.63 -0.13 3.49 0.52 -1.20 -4.72 118.95 115.50 3k4m s ARG 285 Ca -0.03 -0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 3k4m s ARG 285 Cb 0.01 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 3k4m s ARG 285 CO 0.06 -0.16 0.09 0.14 0.02 0.00 0.00 175.30 175.45 3k4m s VAL 286 N -0.99 5.10 -0.21 3.52 -7.23 -1.26 -0.92 120.40 118.41 3k4m s VAL 286 Ca -0.11 0.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.98 3k4m s VAL 286 Cb -0.04 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 3k4m s VAL 286 CO 0.04 0.57 0.32 -0.69 -0.31 0.00 0.00 175.10 175.03 3k4m s VAL 287 N -0.62 5.25 0.21 1.32 1.01 -0.61 -4.74 120.40 122.22 3k4m s VAL 287 Ca 0.12 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 3k4m s VAL 287 Cb -0.12 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 3k4m s VAL 287 CO 0.02 0.29 0.65 -0.13 0.00 0.00 0.00 175.10 175.93 3k4m s ARG 288 N 1.17 4.10 0.78 2.72 0.52 -1.26 -0.43 118.95 126.54 3k4m s ARG 288 Ca 0.15 0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 3k4m s ARG 288 Cb -0.14 -2.83 0.06 0.00 0.52 0.00 0.00 34.95 32.56 3k4m s ARG 288 CO 0.07 0.39 1.09 0.54 0.02 0.00 0.00 175.30 177.40 3k4m s ASN 289 N -1.79 4.50 0.38 0.23 4.22 -0.80 -4.84 114.94 116.85 3k4m s ASN 289 Ca 0.43 1.67 0.14 0.00 -2.14 0.00 0.00 52.86 52.95 3k4m s ASN 289 Cb -0.15 -2.41 0.97 0.00 1.28 0.00 0.00 41.25 40.95 3k4m s ASN 289 CO 0.20 -2.01 1.84 0.00 -2.04 0.00 0.00 177.10 175.08 3k4m h ALA 290 N -1.12 2.04 0.00 3.54 0.00 -1.98 -1.19 119.26 120.55 3k4m h ALA 290 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3k4m h ALA 290 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k4m h ALA 290 CO 0.54 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3k4m n LEU 291 N -4.58 0.00 -3.62 0.00 4.77 -1.26 -4.92 117.00 107.40 3k4m n LEU 291 Ca 0.20 0.35 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 3k4m n LEU 291 Cb 0.65 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3k4m n LEU 291 CO 0.28 -0.01 0.00 0.59 -1.33 0.00 0.00 177.39 176.92 3k4m n ASN 292 N -1.35 -1.65 0.00 -1.43 3.02 -0.45 -4.91 115.26 108.49 3k4m n ASN 292 Ca 0.12 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 3k4m n ASN 292 Cb 0.27 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 3k4m n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4m n SER 293 N -3.07 0.48 -3.60 6.41 3.41 -1.26 -4.54 113.62 111.46 3k4m n SER 293 Ca -0.28 -0.97 -0.16 0.00 -0.26 0.00 0.00 58.87 57.21 3k4m n SER 293 Cb 0.67 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 3k4m n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4m s GLU 294 N -0.02 0.90 -0.05 4.33 2.12 -1.26 -1.45 118.70 123.27 3k4m s GLU 294 Ca 0.00 0.57 -0.17 0.00 0.36 0.00 0.00 54.97 55.73 3k4m s GLU 294 Cb 0.00 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 3k4m s GLU 294 CO 0.00 -0.20 0.47 0.42 -0.54 0.00 0.00 175.26 175.40 3k4m s ILE 295 N -0.43 5.06 -0.07 -3.70 -1.09 -1.26 -1.91 121.20 117.79 3k4m s ILE 295 Ca -0.06 0.95 0.16 0.00 -2.23 0.00 0.00 60.65 59.48 3k4m s ILE 295 Cb -0.03 -3.79 -0.24 0.00 -1.58 0.00 0.00 42.46 36.82 3k4m s ILE 295 CO 0.05 0.45 0.26 -0.62 -1.23 0.00 0.00 174.94 173.85 3k4m n GLU 296 N 2.70 0.84 -3.78 2.79 -0.58 0.43 -4.94 120.64 118.10 3k4m n GLU 296 Ca -0.10 -0.10 -0.02 0.00 -0.42 0.00 0.00 57.16 56.52 3k4m n GLU 296 Cb 0.52 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 3k4m n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4m s SER 297 N -4.32 -0.08 -0.17 1.62 1.04 -1.25 -4.78 113.70 105.76 3k4m s SER 297 Ca -0.07 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 3k4m s SER 297 Cb 0.09 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3k4m s SER 297 CO 0.69 -0.73 -0.12 -0.22 0.98 0.00 0.00 173.24 173.83 3k4m s LEU 298 N -3.16 2.61 -0.23 2.42 2.96 0.66 -1.57 118.68 122.36 3k4m s LEU 298 Ca 0.17 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.43 3k4m s LEU 298 Cb -0.00 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3k4m s LEU 298 CO 0.01 0.07 0.70 -2.28 -1.32 0.00 0.00 176.35 173.54 3k4m s HIS 299 N 0.90 3.32 0.25 5.38 5.65 -0.10 0.39 115.29 131.08 3k4m s HIS 299 Ca -0.03 0.97 0.10 0.00 0.25 0.00 0.00 55.06 56.35 3k4m s HIS 299 Cb -0.15 -2.90 -0.05 0.00 -1.18 0.00 0.00 32.58 28.30 3k4m s HIS 299 CO -0.01 -0.30 -0.18 0.96 -0.65 0.00 0.00 174.74 174.56 3k4m s ILE 300 N 2.43 2.17 -0.31 0.89 -4.36 0.22 -1.16 121.20 121.08 3k4m s ILE 300 Ca 0.30 -2.33 -0.00 0.00 -0.26 0.00 0.00 60.65 58.36 3k4m s ILE 300 Cb -0.16 -2.19 0.10 0.00 1.25 0.00 0.00 42.46 41.46 3k4m s ILE 300 CO 0.09 -0.48 0.09 -2.28 0.24 0.00 0.00 174.94 172.59 3k4m s HIS 301 N -2.70 2.01 -0.22 1.37 2.46 -0.01 -0.17 115.29 118.04 3k4m s HIS 301 Ca 0.27 -1.91 -0.29 0.00 0.47 0.00 0.00 55.06 53.60 3k4m s HIS 301 Cb -0.03 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.51 3k4m s HIS 301 CO 0.12 -0.88 1.72 0.34 -2.47 0.00 0.00 174.74 173.56 3k4m s ASP 302 N 1.51 6.23 0.26 9.88 -1.08 -0.36 -1.19 116.67 131.92 3k4m s ASP 302 Ca 0.09 1.66 0.26 0.00 -0.52 0.00 0.00 52.55 54.04 3k4m s ASP 302 Cb -0.18 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 39.54 3k4m s ASP 302 CO -0.22 -1.37 1.75 -0.07 0.52 0.00 0.00 175.17 175.78 3k4m h LEU 303 N 12.19 0.00 0.00 -1.34 3.38 -1.56 0.26 115.31 128.24 3k4m h LEU 303 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3k4m h LEU 303 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3k4m h LEU 303 CO 1.00 0.00 -0.14 0.40 0.09 0.00 0.00 178.44 179.79 3k4m h ILE 304 N 0.00 0.00 -0.03 1.22 1.08 -1.91 -3.38 117.51 114.49 3k4m h ILE 304 Ca 0.00 -0.89 -0.14 0.00 -0.39 0.00 0.00 64.86 63.44 3k4m h ILE 304 Cb 0.72 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3k4m h ILE 304 CO 0.00 0.00 -0.63 0.77 -0.69 0.00 0.00 178.15 177.60 3k4m h SER 305 N -0.89 0.15 0.00 1.72 4.64 -1.94 -3.47 113.55 113.76 3k4m h SER 305 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3k4m h SER 305 Cb 0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3k4m h SER 305 CO 0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3k4m n GLY 306 N 0.30 0.71 3.82 -0.77 0.00 0.91 -5.05 105.19 105.11 3k4m n GLY 306 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3k4m n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4m s ASP 307 N -2.88 5.63 -0.10 1.61 1.01 -1.19 -4.78 116.67 115.97 3k4m s ASP 307 Ca 0.00 1.65 0.03 0.00 0.71 0.00 0.00 52.55 54.94 3k4m s ASP 307 Cb 0.00 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3k4m s ASP 307 CO 0.00 -1.27 -0.20 -0.13 0.21 0.00 0.00 175.17 173.78 3k4m s ARG 308 N -4.75 2.64 0.28 8.23 1.81 -1.26 -1.23 118.95 124.66 3k4m s ARG 308 Ca 0.59 -0.73 0.02 0.00 -1.72 0.00 0.00 55.73 53.89 3k4m s ARG 308 Cb -0.14 -2.07 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 3k4m s ARG 308 CO 0.49 0.08 0.12 -0.06 -0.68 0.00 0.00 175.30 175.25 3k4m s PHE 309 N 0.58 1.55 -0.24 -0.53 0.08 0.76 -4.96 117.98 115.22 3k4m s PHE 309 Ca -0.14 -1.25 0.03 0.00 0.12 0.00 0.00 56.93 55.68 3k4m s PHE 309 Cb -0.17 -0.88 0.05 0.00 -0.57 0.00 0.00 43.02 41.45 3k4m s PHE 309 CO 0.05 -0.41 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.42 3k4m s GLU 310 N -3.96 2.41 -0.04 0.44 0.41 -1.26 -0.61 118.70 116.10 3k4m s GLU 310 Ca 0.37 -1.23 -0.19 0.00 -0.41 0.00 0.00 54.97 53.51 3k4m s GLU 310 Cb 0.07 -2.82 -0.05 0.00 -1.78 0.00 0.00 34.13 29.55 3k4m s GLU 310 CO 0.15 -0.49 0.53 0.42 -0.49 0.00 0.00 175.26 175.38 3k4m s ILE 311 N 1.14 5.01 -0.10 -1.63 -1.09 0.16 -4.84 121.20 119.86 3k4m s ILE 311 Ca -0.06 1.09 -0.02 0.00 -2.23 0.00 0.00 60.65 59.43 3k4m s ILE 311 Cb -0.18 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3k4m s ILE 311 CO -0.07 0.42 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.51 3k4m s LYS 312 N -0.12 3.09 0.26 2.79 1.02 -1.26 -0.25 119.74 125.27 3k4m s LYS 312 Ca 0.28 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 55.77 3k4m s LYS 312 Cb -0.17 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3k4m s LYS 312 CO 0.15 0.61 0.36 0.00 -0.92 0.00 0.00 175.35 175.54 3k4m s ALA 313 N -0.63 0.56 0.06 5.17 0.00 -1.26 -1.55 121.76 124.11 3k4m s ALA 313 Ca 0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 3k4m s ALA 313 Cb -0.12 1.21 -0.26 0.00 0.00 0.00 0.00 23.12 23.95 3k4m s ALA 313 CO 0.02 -0.75 1.07 -0.44 0.00 0.00 0.00 175.76 175.66 3k4m h ASP 314 N 2.33 0.30 -3.71 0.00 3.32 -1.24 -3.46 116.42 113.96 3k4m h ASP 314 Ca -0.30 -0.35 -0.47 0.00 0.02 0.00 0.00 57.03 55.93 3k4m h ASP 314 Cb 1.25 -0.10 -0.32 0.00 0.22 0.00 0.00 39.33 40.38 3k4m h ASP 314 CO 0.42 1.28 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.73 3k4m s VAL 315 N -2.65 0.98 -0.13 -1.35 1.01 -0.70 -4.80 120.40 112.76 3k4m s VAL 315 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3k4m s VAL 315 Cb 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3k4m s VAL 315 CO 0.86 0.30 -0.21 -0.31 0.00 0.00 0.00 175.10 175.74 3k4m s TYR 316 N 0.33 2.66 -0.11 5.22 1.51 -0.23 -1.71 117.35 125.01 3k4m s TYR 316 Ca -0.07 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 54.91 3k4m s TYR 316 Cb -0.11 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3k4m s TYR 316 CO 0.02 -0.48 -0.23 0.08 -1.11 0.00 0.00 175.55 173.83 3k4m s VAL 317 N 0.58 2.06 -0.29 0.71 1.01 -0.00 -1.17 120.40 123.30 3k4m s VAL 317 Ca -0.12 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 3k4m s VAL 317 Cb -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.42 3k4m s VAL 317 CO 0.03 0.56 0.09 -0.76 0.00 0.00 0.00 175.10 175.02 3k4m s LEU 318 N 0.50 3.86 -0.47 3.92 1.43 0.61 -1.28 118.68 127.25 3k4m s LEU 318 Ca -0.15 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 3k4m s LEU 318 Cb -0.17 -1.91 0.33 0.00 0.03 0.00 0.00 46.19 44.48 3k4m s LEU 318 CO 0.05 -0.18 0.81 0.35 0.23 0.00 0.00 176.35 177.61 3k4m n THR 319 N 4.90 1.28 -0.36 5.49 -2.24 0.11 -1.62 114.28 121.83 3k4m n THR 319 Ca -0.15 -5.00 0.08 0.00 -2.27 0.00 0.00 64.05 56.71 3k4m n THR 319 Cb 0.48 -0.93 0.24 0.00 -2.10 0.00 0.00 70.33 68.03 3k4m n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n ALA 320 N 0.16 2.42 0.00 6.98 0.00 -1.11 -4.13 120.51 124.83 3k4m n ALA 320 Ca 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3k4m n ALA 320 Cb 0.53 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.30 3k4m n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 321 N 0.86 2.65 0.23 0.00 0.00 -1.26 -4.00 105.19 103.67 3k4m n GLY 321 Ca 0.18 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.39 3k4m n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h ALA 322 N 0.00 1.46 0.00 4.61 0.00 -1.92 -1.54 119.26 121.87 3k4m h ALA 322 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k4m h ALA 322 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k4m h ALA 322 CO 0.00 0.25 -0.01 0.28 0.00 0.00 0.00 179.25 179.77 3k4m h VAL 323 N 0.00 1.71 0.00 0.00 2.07 -1.94 -3.36 116.25 114.72 3k4m h VAL 323 Ca -0.00 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.43 3k4m h VAL 323 Cb 0.41 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3k4m h VAL 323 CO 0.03 0.54 -0.23 0.45 0.02 0.00 0.00 177.57 178.38 3k4m h HIS 324 N -0.87 0.00 -0.27 1.57 -0.00 -1.62 -1.64 115.15 112.31 3k4m h HIS 324 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 3k4m h HIS 324 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 3k4m h HIS 324 CO 0.24 0.00 -0.13 -0.91 -0.00 0.00 0.00 177.93 177.12 3k4m h ASN 325 N 0.00 0.59 -0.56 2.45 2.35 -1.47 -1.61 115.58 117.33 3k4m h ASN 325 Ca 0.00 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 3k4m h ASN 325 Cb 0.94 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 3k4m h ASN 325 CO 0.00 0.87 0.25 0.74 -1.65 0.00 0.00 177.43 177.64 3k4m h THR 326 N 0.31 1.21 -0.32 2.81 2.02 -1.62 -0.77 112.91 116.54 3k4m h THR 326 Ca 0.06 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3k4m h THR 326 Cb 0.65 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3k4m h THR 326 CO 0.04 0.24 0.18 -0.61 0.37 0.00 0.00 175.52 175.74 3k4m h GLN 327 N 0.75 0.36 -0.45 6.66 4.15 -1.25 -0.61 115.11 124.72 3k4m h GLN 327 Ca 0.19 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 3k4m h GLN 327 Cb 0.15 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3k4m h GLN 327 CO -0.02 0.24 0.07 1.25 -1.93 0.00 0.00 178.83 178.44 3k4m h LEU 328 N 0.37 0.71 -0.10 -2.39 6.46 -0.93 -0.30 115.31 119.13 3k4m h LEU 328 Ca 0.13 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 3k4m h LEU 328 Cb 0.02 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 3k4m h LEU 328 CO -0.07 0.79 0.01 -0.07 -0.62 0.00 0.00 178.44 178.48 3k4m h LEU 329 N 0.60 -0.01 -1.58 2.25 3.38 -1.02 -1.00 115.31 117.93 3k4m h LEU 329 Ca 0.14 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3k4m h LEU 329 Cb 0.38 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3k4m h LEU 329 CO 0.01 0.01 -0.04 0.58 0.09 0.00 0.00 178.44 179.09 3k4m h VAL 330 N 0.05 1.12 0.00 1.22 2.07 -0.95 -0.57 116.25 119.20 3k4m h VAL 330 Ca 0.04 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3k4m h VAL 330 Cb 0.04 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3k4m h VAL 330 CO -0.07 0.16 0.00 -3.20 0.02 0.00 0.00 177.57 174.49 3k4m n ASN 331 N -4.37 0.00 -0.92 0.57 5.15 -0.14 -2.66 115.26 112.89 3k4m n ASN 331 Ca -0.01 0.38 0.10 0.00 -0.60 0.00 0.00 54.58 54.45 3k4m n ASN 331 Cb 0.19 -0.46 0.17 0.00 -0.53 0.00 0.00 39.78 39.15 3k4m n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4m n SER 332 N -1.46 3.07 0.00 1.20 7.64 -0.31 -4.88 113.62 118.88 3k4m n SER 332 Ca 0.07 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.06 3k4m n SER 332 Cb 0.28 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3k4m n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 333 N 1.16 0.76 3.90 0.23 0.00 -1.09 -4.78 105.19 105.36 3k4m n GLY 333 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3k4m n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 334 N -2.01 3.54 0.00 1.61 0.40 -0.68 -4.69 117.98 116.16 3k4m s PHE 334 Ca 0.00 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 3k4m s PHE 334 Cb 0.00 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.16 3k4m s PHE 334 CO 0.00 -0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.07 3k4m n GLY 335 N -2.04 1.45 2.85 4.36 0.00 -0.38 -4.08 105.19 107.36 3k4m n GLY 335 Ca 0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 3k4m n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4m s GLN 336 N 0.00 1.21 0.63 1.61 0.74 -1.26 -4.70 119.66 117.90 3k4m s GLN 336 Ca 0.00 -0.28 -0.17 0.00 0.05 0.00 0.00 55.36 54.96 3k4m s GLN 336 Cb 0.00 -1.64 -0.01 0.00 1.10 0.00 0.00 33.01 32.46 3k4m s GLN 336 CO 0.00 -0.36 1.19 -1.17 -0.55 0.00 0.00 175.29 174.40 3k4m s LEU 337 N 1.76 3.55 0.00 3.68 2.96 -1.26 -4.70 118.68 124.66 3k4m s LEU 337 Ca 0.03 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 3k4m s LEU 337 Cb -0.14 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 41.96 3k4m s LEU 337 CO -0.07 -1.74 0.00 0.61 -1.32 0.00 0.00 176.35 173.83 3k4m n GLY 338 N 0.33 -0.98 3.64 7.98 0.00 0.18 -4.85 105.19 111.48 3k4m n GLY 338 Ca 0.13 -1.65 -0.47 0.00 0.00 0.00 0.00 46.02 44.02 3k4m n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4m n ARG 339 N -1.09 1.80 -1.88 1.61 0.63 -1.26 -4.55 116.66 111.91 3k4m n ARG 339 Ca 0.00 0.65 -0.41 0.00 -0.92 0.00 0.00 57.85 57.16 3k4m n ARG 339 Cb 0.00 -2.34 -0.02 0.00 0.45 0.00 0.00 32.46 30.55 3k4m n ARG 339 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3k4m s PRO 340 N 0.46 4.18 -0.27 -0.14 0.02 -1.26 -4.97 135.00 133.03 3k4m s PRO 340 Ca 0.78 2.46 -0.03 0.00 0.02 0.00 0.00 61.00 64.23 3k4m s PRO 340 Cb -0.76 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 30.81 3k4m s PRO 340 CO 0.43 -0.53 0.11 1.21 -0.33 0.00 0.00 177.00 177.90 3k4m s ASN 341 N 0.34 3.45 0.20 2.53 3.04 -1.26 -5.03 114.94 118.20 3k4m s ASN 341 Ca 0.60 -1.24 -0.11 0.00 0.04 0.00 0.00 52.86 52.15 3k4m s ASN 341 Cb -0.45 -0.45 0.25 0.00 -1.54 0.00 0.00 41.25 39.05 3k4m s ASN 341 CO 0.48 -0.42 1.70 1.55 -3.04 0.00 0.00 177.10 177.38 3k4m h PRO 342 N 8.34 0.22 0.00 0.43 0.13 -2.01 0.20 132.00 139.31 3k4m h PRO 342 Ca -0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3k4m h PRO 342 Cb 1.04 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3k4m h PRO 342 CO 0.42 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 3k4m n ALA 343 N -2.59 1.58 -3.20 -0.56 0.00 -1.26 -3.00 120.51 111.48 3k4m n ALA 343 Ca 0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 3k4m n ALA 343 Cb 0.29 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 3k4m n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4m n ASN 344 N -0.91 1.01 -4.71 0.00 2.85 0.71 -5.13 115.26 109.08 3k4m n ASN 344 Ca 0.01 -2.93 -0.39 0.00 -0.11 0.00 0.00 54.58 51.17 3k4m n ASN 344 Cb 0.01 -0.63 0.04 0.00 1.24 0.00 0.00 39.78 40.43 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3k4m n PRO 345 N 0.92 1.62 -2.65 1.20 -0.02 -1.16 -4.86 135.00 130.04 3k4m n PRO 345 Ca 0.24 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 3k4m n PRO 345 Cb 0.55 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3k4m n PRO 345 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3k4m s PRO 346 N -2.66 4.07 0.17 0.52 0.04 -1.26 -4.98 135.00 130.90 3k4m s PRO 346 Ca 0.69 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 3k4m s PRO 346 Cb -0.44 -2.26 0.05 0.00 0.04 0.00 0.00 34.50 31.88 3k4m s PRO 346 CO 0.51 -0.19 1.57 0.93 0.04 0.00 0.00 177.00 179.87 3k4m h GLU 347 N 1.98 -0.23 -6.48 4.56 4.39 -1.91 -3.42 114.58 113.46 3k4m h GLU 347 Ca -0.49 0.02 -0.67 0.00 0.34 0.00 0.00 59.36 58.56 3k4m h GLU 347 Cb 1.20 0.05 -0.29 0.00 -0.10 0.00 0.00 28.75 29.62 3k4m h GLU 347 CO 0.61 -0.15 -0.88 -0.51 -1.16 0.00 0.00 179.01 176.92 3k4m s LEU 348 N -10.59 2.08 -1.26 1.33 1.43 -1.26 -4.80 118.68 105.61 3k4m s LEU 348 Ca -0.14 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3k4m s LEU 348 Cb 0.13 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3k4m s LEU 348 CO 0.67 0.28 0.73 0.18 0.23 0.00 0.00 176.35 178.44 3k4m n LEU 349 N 2.26 -3.31 0.26 1.79 4.77 -1.26 -1.25 117.00 120.27 3k4m n LEU 349 Ca -0.16 -0.84 0.14 0.00 -0.03 0.00 0.00 56.01 55.12 3k4m n LEU 349 Cb 0.52 -2.68 0.73 0.00 -2.33 0.00 0.00 43.42 39.67 3k4m n LEU 349 CO 0.23 0.39 1.00 1.55 -1.33 0.00 0.00 177.39 179.23 3k4m h PRO 350 N -1.80 0.00 0.00 3.23 0.13 -1.87 -0.85 132.00 130.84 3k4m h PRO 350 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3k4m h PRO 350 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3k4m h PRO 350 CO 0.54 0.00 -0.46 0.43 -0.23 0.00 0.00 178.00 178.28 3k4m n SER 351 N -2.60 0.47 -4.71 1.44 7.64 -1.26 -4.87 113.62 109.73 3k4m n SER 351 Ca -0.02 -0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.33 3k4m n SER 351 Cb 0.25 0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 3k4m n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4m n LEU 352 N -1.59 3.85 0.00 -3.43 7.94 -0.32 -1.38 117.00 122.07 3k4m n LEU 352 Ca 0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3k4m n LEU 352 Cb 0.35 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.77 3k4m n LEU 352 CO 0.34 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.19 3k4m n GLY 353 N 2.68 1.32 3.66 -3.96 0.00 -0.57 -4.84 105.19 103.48 3k4m n GLY 353 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3k4m n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m s SER 354 N -3.16 4.53 -1.16 1.61 0.01 -0.48 0.30 113.70 115.35 3k4m s SER 354 Ca 0.00 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.55 3k4m s SER 354 Cb 0.00 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.45 3k4m s SER 354 CO 0.00 -0.09 0.00 -1.22 0.41 0.00 0.00 173.24 172.34 3k4m n TYR 355 N -0.95 0.00 -1.72 2.43 4.02 -0.53 -4.68 117.16 115.72 3k4m n TYR 355 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.46 3k4m n TYR 355 Cb 0.60 -2.20 0.06 0.00 -0.02 0.00 0.00 39.34 37.78 3k4m n TYR 355 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3k4m n ILE 356 N -2.57 4.39 -4.34 -0.72 -5.35 -1.04 -4.35 119.36 105.38 3k4m n ILE 356 Ca -0.11 -0.50 -0.20 0.00 -0.27 0.00 0.00 62.75 61.67 3k4m n ILE 356 Cb 0.42 -1.53 -0.16 0.00 -1.74 0.00 0.00 39.64 36.64 3k4m n ILE 356 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3k4m s THR 357 N -1.36 0.72 0.03 7.28 -4.23 -0.88 -4.53 115.64 112.68 3k4m s THR 357 Ca 0.78 -0.32 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3k4m s THR 357 Cb -0.40 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 3k4m s THR 357 CO 0.44 0.23 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.90 3k4m s GLU 358 N 0.27 1.06 0.33 3.99 2.56 -1.26 -0.52 118.70 125.13 3k4m s GLU 358 Ca -0.04 -0.77 -0.27 0.00 0.00 0.00 0.00 54.97 53.89 3k4m s GLU 358 Cb -0.09 -1.09 -0.09 0.00 2.00 0.00 0.00 34.13 34.86 3k4m s GLU 358 CO 0.00 0.28 1.01 -0.65 -0.56 0.00 0.00 175.26 175.34 3k4m s GLN 359 N -1.05 4.50 0.26 4.30 -0.21 -1.26 -4.51 119.66 121.69 3k4m s GLN 359 Ca 0.03 1.52 -0.30 0.00 0.02 0.00 0.00 55.36 56.64 3k4m s GLN 359 Cb -0.08 -2.88 -0.09 0.00 1.00 0.00 0.00 33.01 30.96 3k4m s GLN 359 CO 0.01 0.16 1.28 -1.12 -2.12 0.00 0.00 175.29 173.50 3k4m s SER 360 N -1.36 6.91 -0.12 5.90 0.01 -1.26 -4.64 113.70 119.14 3k4m s SER 360 Ca 0.50 2.48 -0.00 0.00 1.31 0.00 0.00 55.95 60.23 3k4m s SER 360 Cb -0.24 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.39 3k4m s SER 360 CO 0.30 -0.47 -0.09 -0.22 0.41 0.00 0.00 173.24 173.17 3k4m s LEU 361 N -0.88 1.33 0.11 2.44 2.96 -1.26 -0.66 118.68 122.72 3k4m s LEU 361 Ca 0.52 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3k4m s LEU 361 Cb -0.37 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3k4m s LEU 361 CO 0.44 -0.10 0.07 0.68 -1.32 0.00 0.00 176.35 176.11 3k4m s VAL 362 N 1.61 4.33 -0.06 1.68 -7.23 -0.94 0.16 120.40 119.96 3k4m s VAL 362 Ca 0.04 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 3k4m s VAL 362 Cb -0.13 -3.12 0.03 0.00 0.56 0.00 0.00 36.38 33.72 3k4m s VAL 362 CO -0.08 0.05 0.30 0.12 -0.31 0.00 0.00 175.10 175.19 3k4m s PHE 363 N -1.47 -0.24 0.35 2.82 5.36 -0.27 -2.00 117.98 122.52 3k4m s PHE 363 Ca 0.29 0.49 -0.14 0.00 -0.96 0.00 0.00 56.93 56.61 3k4m s PHE 363 Cb -0.11 0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.70 3k4m s PHE 363 CO 0.21 -0.29 0.70 0.00 -1.46 0.00 0.00 175.22 174.38 3k4m s GLN 365 N -2.87 1.20 0.17 0.00 -0.21 -0.81 -0.86 119.66 116.28 3k4m s GLN 365 Ca 0.18 -1.31 0.11 0.00 0.02 0.00 0.00 55.36 54.36 3k4m s GLN 365 Cb -0.04 -1.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 3k4m s GLN 365 CO 0.12 0.28 -0.25 0.95 -2.12 0.00 0.00 175.29 174.27 3k4m s THR 366 N -1.77 2.30 -0.32 -0.19 -4.23 -0.13 -0.72 115.64 110.58 3k4m s THR 366 Ca 0.12 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3k4m s THR 366 Cb -0.07 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.72 3k4m s THR 366 CO 0.05 -0.06 0.10 -0.69 -0.54 0.00 0.00 174.62 173.48 3k4m s VAL 367 N -1.49 3.92 0.01 2.29 1.01 0.14 -1.73 120.40 124.53 3k4m s VAL 367 Ca 0.18 -0.90 -0.39 0.00 0.00 0.00 0.00 61.98 60.87 3k4m s VAL 367 Cb -0.08 -3.12 -0.20 0.00 0.00 0.00 0.00 36.38 32.98 3k4m s VAL 367 CO 0.08 -0.06 1.03 0.80 0.00 0.00 0.00 175.10 176.96 3k4m n MET 368 N 4.85 0.00 -1.70 2.72 1.56 0.68 -3.17 117.12 122.06 3k4m n MET 368 Ca -0.13 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 56.89 3k4m n MET 368 Cb 0.46 -1.46 0.01 0.00 2.15 0.00 0.00 33.22 34.39 3k4m n MET 368 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k4m n SER 369 N 1.50 2.52 -0.28 6.12 3.41 0.06 -4.86 113.62 122.08 3k4m n SER 369 Ca 0.20 1.10 0.04 0.00 -0.26 0.00 0.00 58.87 59.94 3k4m n SER 369 Cb 0.09 -1.50 0.12 0.00 -0.26 0.00 0.00 64.21 62.66 3k4m n SER 369 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3k4m h THR 370 N 2.03 0.22 -0.29 6.66 2.02 -1.91 -2.51 112.91 119.13 3k4m h THR 370 Ca -0.48 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3k4m h THR 370 Cb 1.30 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 3k4m h THR 370 CO 0.60 0.00 -0.26 -0.33 0.37 0.00 0.00 175.52 175.90 3k4m h GLU 371 N 0.02 -0.23 -0.48 6.66 5.08 -1.97 -0.92 114.58 122.74 3k4m h GLU 371 Ca 0.40 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 3k4m h GLU 371 Cb 0.66 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3k4m h GLU 371 CO -0.79 -0.15 0.26 -0.07 -1.00 0.00 0.00 179.01 177.25 3k4m h LEU 372 N -0.24 0.61 -0.27 1.33 3.38 -1.85 -0.75 115.31 117.52 3k4m h LEU 372 Ca 0.15 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3k4m h LEU 372 Cb 0.48 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3k4m h LEU 372 CO -0.43 0.54 -0.07 0.40 0.09 0.00 0.00 178.44 178.97 3k4m h ILE 373 N 0.64 0.71 -0.94 1.22 1.08 -1.00 -1.74 117.51 117.47 3k4m h ILE 373 Ca 0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.65 3k4m h ILE 373 Cb 0.07 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 3k4m h ILE 373 CO -0.03 0.00 0.63 0.44 -0.69 0.00 0.00 178.15 178.50 3k4m h ASP 374 N -0.01 1.08 -0.42 1.72 3.32 -0.98 -1.91 116.42 119.22 3k4m h ASP 374 Ca 0.13 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3k4m h ASP 374 Cb 0.21 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3k4m h ASP 374 CO -0.29 0.78 0.28 0.77 -1.72 0.00 0.00 179.24 179.06 3k4m h SER 375 N 1.27 0.36 -1.12 6.45 4.64 -0.28 0.75 113.55 125.63 3k4m h SER 375 Ca 0.35 -0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.99 3k4m h SER 375 Cb -0.14 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 61.82 3k4m h SER 375 CO -0.08 0.25 0.81 0.58 -0.87 0.00 0.00 176.83 177.52 3k4m h VAL 376 N 0.42 0.44 0.00 0.95 2.07 -0.71 -2.42 116.25 116.99 3k4m h VAL 376 Ca 0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 3k4m h VAL 376 Cb 0.17 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3k4m h VAL 376 CO -0.04 0.00 -0.34 2.29 0.02 0.00 0.00 177.57 179.50 3k4m n LYS 377 N -4.19 1.46 0.21 1.57 2.85 0.24 -4.74 118.16 115.56 3k4m n LYS 377 Ca 0.24 -3.04 0.06 0.00 -1.05 0.00 0.00 58.31 54.52 3k4m n LYS 377 Cb 1.18 -1.55 0.45 0.00 -0.65 0.00 0.00 35.03 34.46 3k4m n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4m h SER 378 N 0.66 0.00 -0.12 -5.58 4.64 -1.28 -2.32 113.55 109.55 3k4m h SER 378 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k4m h SER 378 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3k4m h SER 378 CO 0.00 0.30 0.00 0.47 -0.87 0.00 0.00 176.83 176.73 3k4m n ASP 379 N -3.86 1.58 -4.77 4.97 8.00 -1.26 -4.90 116.55 116.30 3k4m n ASP 379 Ca -0.02 -1.63 -0.38 0.00 0.71 0.00 0.00 54.79 53.47 3k4m n ASP 379 Cb 0.38 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 3k4m n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4m s MET 380 N -1.86 4.19 -0.22 -1.24 -1.94 -0.87 -4.49 119.30 112.87 3k4m s MET 380 Ca 0.34 0.50 -0.15 0.00 -1.71 0.00 0.00 55.69 54.67 3k4m s MET 380 Cb 0.18 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 3k4m s MET 380 CO 0.28 0.40 0.38 0.99 -0.01 0.00 0.00 175.02 177.07 3k4m s THR 381 N -0.20 5.20 -0.41 2.05 2.01 0.59 -4.93 115.64 119.95 3k4m s THR 381 Ca 0.26 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.92 3k4m s THR 381 Cb -0.16 -3.71 0.11 0.00 0.01 0.00 0.00 72.50 68.75 3k4m s THR 381 CO 0.13 0.23 0.17 -0.63 -0.69 0.00 0.00 174.62 173.83 3k4m s ILE 382 N 1.48 2.81 0.01 1.82 -1.09 -1.26 -0.92 121.20 124.06 3k4m s ILE 382 Ca 0.18 -2.42 -0.08 0.00 -2.23 0.00 0.00 60.65 56.10 3k4m s ILE 382 Cb -0.15 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 3k4m s ILE 382 CO 0.08 -0.68 0.29 -0.13 -1.23 0.00 0.00 174.94 173.27 3k4m s ARG 383 N 0.76 3.63 2.57 2.79 0.52 0.18 -4.97 118.95 124.42 3k4m s ARG 383 Ca 0.11 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3k4m s ARG 383 Cb -0.21 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.18 3k4m s ARG 383 CO -0.05 0.64 0.00 0.41 0.02 0.00 0.00 175.30 176.32 3k4m n GLY 384 N 1.17 0.07 3.12 -3.53 0.00 -1.26 -1.22 105.19 103.54 3k4m n GLY 384 Ca -0.11 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 3k4m n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4m s THR 385 N 0.00 1.16 0.26 2.61 -4.23 -1.26 -4.86 115.64 109.32 3k4m s THR 385 Ca 0.00 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 59.56 3k4m s THR 385 Cb 0.00 -0.97 -0.13 0.00 1.34 0.00 0.00 72.50 72.74 3k4m s THR 385 CO 0.00 0.31 1.30 -2.65 -0.54 0.00 0.00 174.62 173.04 3k4m n PRO 386 N 2.67 1.87 0.00 3.99 -0.02 -1.26 -2.51 135.00 139.74 3k4m n PRO 386 Ca -0.14 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3k4m n PRO 386 Cb 0.55 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3k4m n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 387 N 1.69 2.53 3.94 -1.23 0.00 -1.26 -4.98 105.19 105.88 3k4m n GLY 387 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 3k4m n GLY 387 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k4m s GLU 388 N -0.33 3.51 0.00 1.61 2.56 -1.05 -4.94 118.70 120.07 3k4m s GLU 388 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 54.64 3k4m s GLU 388 Cb 0.00 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.40 3k4m s GLU 388 CO 0.00 0.25 0.95 1.28 -0.56 0.00 0.00 175.26 177.18 3k4m n LEU 389 N -1.33 0.00 -0.03 2.70 4.77 -1.26 -2.23 117.00 119.62 3k4m n LEU 389 Ca -0.05 0.45 -0.17 0.00 -0.03 0.00 0.00 56.01 56.21 3k4m n LEU 389 Cb 0.55 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 3k4m n LEU 389 CO 0.48 -0.45 -0.88 0.35 -1.33 0.00 0.00 177.39 175.56 3k4m n THR 390 N -1.45 1.66 -1.74 -5.08 -2.24 -1.26 -5.00 114.28 99.17 3k4m n THR 390 Ca 0.00 -0.68 -0.68 0.00 -2.27 0.00 0.00 64.05 60.42 3k4m n THR 390 Cb 0.00 -1.43 -0.10 0.00 -2.10 0.00 0.00 70.33 66.70 3k4m n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n TYR 391 N -3.29 1.76 -4.74 4.78 9.36 -0.94 -4.80 117.16 119.28 3k4m n TYR 391 Ca -0.32 1.13 -0.28 0.00 3.32 0.00 0.00 57.90 61.75 3k4m n TYR 391 Cb 1.05 -2.24 -0.14 0.00 -0.63 0.00 0.00 39.34 37.38 3k4m n TYR 391 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3k4m s SER 392 N 3.05 2.95 -0.11 2.98 0.15 -0.35 -4.99 113.70 117.38 3k4m s SER 392 Ca 1.05 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 57.10 3k4m s SER 392 Cb -1.49 -0.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.60 3k4m s SER 392 CO 0.81 0.21 -0.06 -0.69 1.20 0.00 0.00 173.24 174.71 3k4m s VAL 393 N -0.85 0.93 0.14 4.45 1.01 -1.25 0.50 120.40 125.32 3k4m s VAL 393 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 3k4m s VAL 393 Cb -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3k4m s VAL 393 CO 0.03 0.34 0.03 0.42 0.00 0.00 0.00 175.10 175.91 3k4m s THR 394 N 1.74 0.30 0.21 3.92 -4.23 -0.10 -4.94 115.64 112.54 3k4m s THR 394 Ca 0.05 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 3k4m s THR 394 Cb -0.13 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 3k4m s THR 394 CO -0.08 -0.52 0.18 -0.72 -0.54 0.00 0.00 174.62 172.95 3k4m s TYR 395 N -3.91 1.09 -0.19 3.99 1.13 -1.26 -0.30 117.35 117.91 3k4m s TYR 395 Ca 0.22 -1.32 -0.01 0.00 -1.41 0.00 0.00 57.07 54.56 3k4m s TYR 395 Cb 0.07 -0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 40.46 3k4m s TYR 395 CO 0.01 -0.70 -0.11 0.95 -2.51 0.00 0.00 175.55 173.19 3k4m s THR 396 N -4.10 2.90 -0.01 -3.49 -4.23 -1.26 -5.04 115.64 100.41 3k4m s THR 396 Ca 0.37 -0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 3k4m s THR 396 Cb 0.06 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.56 3k4m s THR 396 CO 0.12 0.48 1.74 -2.84 -0.54 0.00 0.00 174.62 173.58 3k4m s PRO 397 N 1.14 4.17 0.00 3.99 0.02 -1.26 -2.92 135.00 140.14 3k4m s PRO 397 Ca 0.01 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3k4m s PRO 397 Cb -0.14 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.39 3k4m s PRO 397 CO -0.04 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3k4m n GLY 398 N 4.22 1.31 3.66 0.52 0.00 -1.26 -5.03 105.19 108.62 3k4m n GLY 398 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 399 N -0.52 0.79 0.67 4.61 0.00 -1.15 -4.90 120.51 120.01 3k4m n ALA 399 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.91 3k4m n ALA 399 Cb 0.00 -2.18 0.23 0.00 0.00 0.00 0.00 19.45 17.51 3k4m n ALA 399 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k4m n SER 400 N 0.81 0.64 0.26 0.00 3.41 -1.26 -2.45 113.62 115.03 3k4m n SER 400 Ca 0.07 0.13 0.16 0.00 -0.26 0.00 0.00 58.87 58.96 3k4m n SER 400 Cb 0.36 0.04 0.56 0.00 -0.26 0.00 0.00 64.21 64.91 3k4m n SER 400 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3k4m h THR 401 N 0.00 0.00 -2.56 6.66 2.02 -1.98 -3.45 112.91 113.59 3k4m h THR 401 Ca 0.00 -0.61 -0.53 0.00 0.77 0.00 0.00 66.41 66.04 3k4m h THR 401 Cb 0.69 1.61 0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3k4m h THR 401 CO 0.00 0.00 1.09 0.20 0.37 0.00 0.00 175.52 177.18 3k4m s ASN 402 N -5.76 6.48 0.51 4.18 -0.87 -1.02 -4.92 114.94 113.53 3k4m s ASN 402 Ca 0.03 2.67 0.30 0.00 -1.57 0.00 0.00 52.86 54.28 3k4m s ASN 402 Cb 0.08 -2.56 1.05 0.00 -0.02 0.00 0.00 41.25 39.80 3k4m s ASN 402 CO 0.57 -0.97 1.87 0.11 -2.57 0.00 0.00 177.10 176.10 3k4m h LYS 403 N 8.70 0.00 -5.18 -0.60 1.79 -1.89 -3.46 116.57 115.92 3k4m h LYS 403 Ca -0.45 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.65 3k4m h LYS 403 Cb 1.21 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.68 3k4m h LYS 403 CO 0.94 0.04 -0.75 -1.01 -1.08 0.00 0.00 179.45 177.59 3k4m s HIS 404 N -3.55 1.20 0.85 -1.35 3.76 -1.26 -5.13 115.29 109.82 3k4m s HIS 404 Ca 0.02 -0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 54.25 3k4m s HIS 404 Cb 0.08 -0.65 0.10 0.00 1.11 0.00 0.00 32.58 33.23 3k4m s HIS 404 CO 0.59 0.06 1.10 -1.25 -0.85 0.00 0.00 174.74 174.38 3k4m s PRO 405 N -2.51 1.59 0.25 8.40 0.04 -1.26 -4.81 135.00 136.69 3k4m s PRO 405 Ca 0.05 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 3k4m s PRO 405 Cb -0.05 -1.83 0.36 0.00 0.04 0.00 0.00 34.50 33.02 3k4m s PRO 405 CO 0.02 -2.09 1.86 -0.44 0.04 0.00 0.00 177.00 176.39 3k4m h ASP 406 N -1.45 0.91 0.07 6.66 5.19 -1.98 -1.38 116.42 124.44 3k4m h ASP 406 Ca -0.46 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 3k4m h ASP 406 Cb 1.26 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 3k4m h ASP 406 CO 0.51 0.58 -0.09 4.11 -3.12 0.00 0.00 179.24 181.22 3k4m h TRP 407 N 1.04 0.06 0.00 4.55 5.08 -1.99 0.20 115.95 124.89 3k4m h TRP 407 Ca 0.40 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.33 3k4m h TRP 407 Cb 0.18 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.31 3k4m h TRP 407 CO -0.02 0.16 -0.20 2.35 -1.28 0.00 0.00 178.44 179.45 3k4m h TRP 408 N 0.06 0.00 -0.86 0.12 2.91 -1.66 -3.02 115.95 113.49 3k4m h TRP 408 Ca 0.01 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.13 3k4m h TRP 408 Cb 0.21 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.79 3k4m h TRP 408 CO 0.00 0.67 0.56 -0.91 -1.03 0.00 0.00 178.44 177.73 3k4m h ASN 409 N -1.00 0.76 -0.14 2.65 2.35 -1.14 -0.70 115.58 118.36 3k4m h ASN 409 Ca -0.04 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3k4m h ASN 409 Cb 0.68 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3k4m h ASN 409 CO -0.03 0.44 0.07 -0.08 -1.65 0.00 0.00 177.43 176.18 3k4m h GLU 410 N 0.84 0.20 -0.75 0.81 4.57 -0.68 0.80 114.58 120.36 3k4m h GLU 410 Ca 0.40 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 3k4m h GLU 410 Cb 0.43 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 3k4m h GLU 410 CO -0.17 0.26 0.37 0.87 -1.18 0.00 0.00 179.01 179.16 3k4m h LYS 411 N 0.10 1.07 0.11 1.92 1.57 -1.21 -1.41 116.57 118.72 3k4m h LYS 411 Ca 0.05 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3k4m h LYS 411 Cb 0.13 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3k4m h LYS 411 CO -0.01 0.82 -0.05 0.28 -0.57 0.00 0.00 179.45 179.92 3k4m h VAL 412 N 1.07 1.10 -0.85 0.50 2.07 -0.86 -2.27 116.25 117.00 3k4m h VAL 412 Ca 0.26 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.93 3k4m h VAL 412 Cb 0.10 1.69 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 3k4m h VAL 412 CO -0.03 0.23 -0.48 0.50 0.02 0.00 0.00 177.57 177.80 3k4m h LYS 413 N -0.61 -0.08 -0.58 1.57 3.64 -0.47 -0.26 116.57 119.78 3k4m h LYS 413 Ca -0.02 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3k4m h LYS 413 Cb 0.48 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3k4m h LYS 413 CO 0.02 -0.05 0.07 -0.91 -2.27 0.00 0.00 179.45 176.31 3k4m h ASN 414 N -0.08 0.90 -0.62 4.20 2.35 -1.21 -0.44 115.58 120.68 3k4m h ASN 414 Ca 0.22 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3k4m h ASN 414 Cb 0.52 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3k4m h ASN 414 CO -0.87 0.92 0.21 -0.74 -1.65 0.00 0.00 177.43 175.31 3k4m h HIS 415 N 0.89 0.99 0.00 1.19 -0.00 -1.05 -0.53 115.15 116.64 3k4m h HIS 415 Ca 0.18 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 3k4m h HIS 415 Cb 0.42 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 3k4m h HIS 415 CO 0.03 0.80 -0.43 0.52 -0.00 0.00 0.00 177.93 178.85 3k4m h MET 416 N 0.89 0.00 0.02 5.26 2.86 -0.22 -1.59 114.93 122.15 3k4m h MET 416 Ca 0.20 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.57 3k4m h MET 416 Cb 0.26 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3k4m h MET 416 CO -0.01 0.43 -1.47 0.52 1.06 0.00 0.00 176.91 177.44 3k4m h MET 417 N 0.00 0.05 0.00 1.72 2.07 -0.99 -3.32 114.93 114.46 3k4m h MET 417 Ca -0.00 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3k4m h MET 417 Cb 0.79 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 3k4m h MET 417 CO 0.06 0.78 -0.62 1.96 1.07 0.00 0.00 176.91 180.16 3k4m h GLN 418 N 0.01 0.00 -2.12 1.72 4.20 -1.00 -3.37 115.11 114.56 3k4m h GLN 418 Ca -0.20 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.96 3k4m h GLN 418 Cb 1.94 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.31 3k4m h GLN 418 CO 0.11 0.00 -0.90 0.72 -0.67 0.00 0.00 178.83 178.09 3k4m n HIS 419 N -2.66 1.84 0.33 2.96 8.25 -0.61 -4.87 115.22 120.46 3k4m n HIS 419 Ca 0.02 -3.88 0.12 0.00 -0.26 0.00 0.00 57.72 53.72 3k4m n HIS 419 Cb 0.52 -0.45 0.54 0.00 1.12 0.00 0.00 29.99 31.72 3k4m n HIS 419 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3k4m h GLN 420 N 3.43 0.00 0.00 -0.41 4.20 -1.73 0.12 115.11 120.73 3k4m h GLN 420 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3k4m h GLN 420 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3k4m h GLN 420 CO 0.65 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.96 3k4m n GLU 421 N -2.31 0.08 -3.43 1.46 0.00 -1.26 -4.59 120.64 110.59 3k4m n GLU 421 Ca 0.01 0.23 -0.38 0.00 0.00 0.00 0.00 57.16 57.02 3k4m n GLU 421 Cb 0.18 -1.63 -0.08 0.00 0.00 0.00 0.00 31.44 29.91 3k4m n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4m s ASP 422 N -3.48 6.35 0.00 -1.84 2.15 0.43 -4.96 116.67 115.32 3k4m s ASP 422 Ca 0.08 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.47 3k4m s ASP 422 Cb 0.12 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 3k4m s ASP 422 CO 0.40 -0.08 0.95 -0.81 -0.17 0.00 0.00 175.17 175.47 3k4m n PRO 423 N 4.61 0.98 -4.23 4.34 -0.04 -1.26 -4.81 135.00 134.59 3k4m n PRO 423 Ca -0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.18 3k4m n PRO 423 Cb 0.51 -1.03 -0.11 0.00 -0.04 0.00 0.00 33.50 32.83 3k4m n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4m s LEU 424 N -0.94 2.37 0.00 1.53 1.43 -1.26 -5.04 118.68 116.76 3k4m s LEU 424 Ca 0.00 -0.76 0.23 0.00 -1.03 0.00 0.00 54.13 52.57 3k4m s LEU 424 Cb 0.00 -0.56 0.16 0.00 0.03 0.00 0.00 46.19 45.83 3k4m s LEU 424 CO 0.00 -0.12 1.18 -0.81 0.23 0.00 0.00 176.35 176.83 3k4m n PRO 425 N 0.73 0.57 -3.02 1.29 -0.04 -1.26 -4.86 135.00 128.40 3k4m n PRO 425 Ca -0.17 -0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 62.46 3k4m n PRO 425 Cb 0.56 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 3k4m n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4m s ILE 426 N -2.73 4.94 0.66 0.52 1.01 -1.26 -4.69 121.20 119.65 3k4m s ILE 426 Ca 0.15 1.51 -0.16 0.00 0.00 0.00 0.00 60.65 62.15 3k4m s ILE 426 Cb 0.18 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3k4m s ILE 426 CO 0.67 0.29 1.18 -2.84 0.00 0.00 0.00 174.94 174.24 3k4m s PRO 427 N 0.50 2.64 0.31 2.79 0.02 -1.26 -4.93 135.00 135.07 3k4m s PRO 427 Ca 0.38 1.67 0.09 0.00 0.02 0.00 0.00 61.00 63.16 3k4m s PRO 427 Cb -0.19 -1.90 0.51 0.00 0.02 0.00 0.00 34.50 32.93 3k4m s PRO 427 CO 0.20 -1.43 1.72 0.74 -0.33 0.00 0.00 177.00 177.89 3k4m h PHE 428 N 0.24 0.15 -0.41 6.54 0.04 -1.98 -2.31 116.94 119.21 3k4m h PHE 428 Ca -0.48 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.24 3k4m h PHE 428 Cb 1.28 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.40 3k4m h PHE 428 CO 0.49 0.55 0.00 0.39 -0.60 0.00 0.00 178.31 179.15 3k4m n GLU 429 N -4.00 2.57 -2.26 1.51 -0.58 -1.26 -4.95 120.64 111.67 3k4m n GLU 429 Ca -0.02 -1.73 -0.43 0.00 -0.42 0.00 0.00 57.16 54.56 3k4m n GLU 429 Cb 0.49 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 3k4m n GLU 429 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3k4m s ASP 430 N -0.79 6.84 0.94 1.62 2.15 -0.87 -4.89 116.67 121.68 3k4m s ASP 430 Ca 0.31 1.93 -0.11 0.00 0.43 0.00 0.00 52.55 55.11 3k4m s ASP 430 Cb 0.19 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.43 3k4m s ASP 430 CO 0.16 -0.81 1.11 -2.84 -0.17 0.00 0.00 175.17 172.63 3k4m s PRO 431 N 3.51 0.84 0.61 4.34 0.02 -1.26 -4.95 135.00 138.11 3k4m s PRO 431 Ca 0.62 1.30 -0.17 0.00 0.02 0.00 0.00 61.00 62.77 3k4m s PRO 431 Cb -0.27 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3k4m s PRO 431 CO 0.21 -2.67 1.12 -1.83 -0.33 0.00 0.00 177.00 173.51 3k4m s GLU 432 N -4.68 3.05 0.45 5.54 1.03 -1.26 -4.49 118.70 118.34 3k4m s GLU 432 Ca 0.66 1.51 -0.25 0.00 0.03 0.00 0.00 54.97 56.92 3k4m s GLU 432 Cb -0.22 -1.97 -0.08 0.00 -0.80 0.00 0.00 34.13 31.06 3k4m s GLU 432 CO 0.59 -1.08 1.39 -1.25 -1.33 0.00 0.00 175.26 173.58 3k4m s PRO 433 N -3.69 3.68 -0.39 -4.83 0.04 -1.26 -4.53 135.00 124.01 3k4m s PRO 433 Ca 0.70 2.33 0.08 0.00 0.04 0.00 0.00 61.00 64.15 3k4m s PRO 433 Cb -0.23 -2.63 0.25 0.00 0.04 0.00 0.00 34.50 31.93 3k4m s PRO 433 CO 0.35 -0.79 0.52 1.04 0.04 0.00 0.00 177.00 178.15 3k4m n GLN 434 N -0.23 0.68 -4.71 4.56 1.13 -1.25 -3.13 117.38 114.42 3k4m n GLN 434 Ca 0.05 -3.18 -0.31 0.00 -1.94 0.00 0.00 57.00 51.62 3k4m n GLN 434 Cb 0.43 -1.24 -0.13 0.00 0.11 0.00 0.00 30.24 29.40 3k4m n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4m s VAL 435 N -1.07 2.66 0.01 5.09 1.01 0.14 -0.63 120.40 127.61 3k4m s VAL 435 Ca 0.35 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3k4m s VAL 435 Cb 0.16 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3k4m s VAL 435 CO -0.12 0.35 0.01 0.28 0.00 0.00 0.00 175.10 175.62 3k4m s THR 436 N -0.90 0.08 -0.26 3.92 -1.32 -0.42 0.33 115.64 117.09 3k4m s THR 436 Ca 0.14 -0.69 -0.05 0.00 -1.21 0.00 0.00 61.69 59.87 3k4m s THR 436 Cb -0.10 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 3k4m s THR 436 CO 0.04 -0.38 0.02 0.28 -2.21 0.00 0.00 174.62 172.37 3k4m s THR 437 N -1.15 3.67 0.64 5.08 -1.32 -1.26 -1.85 115.64 119.45 3k4m s THR 437 Ca -0.13 -0.60 -0.16 0.00 -1.21 0.00 0.00 61.69 59.60 3k4m s THR 437 Cb -0.08 -2.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.11 3k4m s THR 437 CO -0.00 0.24 1.11 -0.76 -2.21 0.00 0.00 174.62 173.00 3k4m s LEU 438 N 1.48 3.44 0.05 9.08 1.43 -1.26 -3.80 118.68 129.10 3k4m s LEU 438 Ca 0.04 2.02 -0.37 0.00 -1.03 0.00 0.00 54.13 54.79 3k4m s LEU 438 Cb -0.16 -4.56 -0.19 0.00 0.03 0.00 0.00 46.19 41.31 3k4m s LEU 438 CO -0.00 -1.57 0.96 0.33 0.23 0.00 0.00 176.35 176.30 3k4m n PHE 439 N -2.25 0.42 -3.89 0.29 -0.00 -1.18 -4.94 117.46 105.91 3k4m n PHE 439 Ca 0.11 1.03 -0.09 0.00 -0.00 0.00 0.00 57.45 58.50 3k4m n PHE 439 Cb 0.52 -2.07 -0.08 0.00 -0.00 0.00 0.00 39.48 37.85 3k4m n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4m s GLN 440 N -0.21 0.81 0.37 -4.13 -1.52 -0.81 -4.94 119.66 109.23 3k4m s GLN 440 Ca 0.85 -0.99 0.14 0.00 -1.95 0.00 0.00 55.36 53.40 3k4m s GLN 440 Cb -1.19 0.32 0.97 0.00 -0.22 0.00 0.00 33.01 32.89 3k4m s GLN 440 CO 0.57 -0.24 1.81 -1.35 -0.25 0.00 0.00 175.29 175.82 3k4m h PRO 441 N 2.82 0.52 0.00 2.91 0.11 -1.99 0.13 132.00 136.50 3k4m h PRO 441 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k4m h PRO 441 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k4m h PRO 441 CO 0.58 0.34 -0.52 0.66 -0.21 0.00 0.00 178.00 178.84 3k4m h SER 442 N 0.53 0.00 -2.39 -2.05 4.64 -1.99 -3.36 113.55 108.93 3k4m h SER 442 Ca 0.53 -0.17 -0.59 0.00 -0.47 0.00 0.00 61.79 61.09 3k4m h SER 442 Cb 1.15 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.86 3k4m h SER 442 CO -0.27 0.09 -0.96 -1.38 -0.87 0.00 0.00 176.83 173.43 3k4m s HIS 443 N -3.16 1.17 -1.44 4.77 -3.43 0.33 -5.03 115.29 108.50 3k4m s HIS 443 Ca 0.07 -2.36 -0.10 0.00 -0.80 0.00 0.00 55.06 51.87 3k4m s HIS 443 Cb 0.13 -0.98 0.05 0.00 -1.43 0.00 0.00 32.58 30.34 3k4m s HIS 443 CO 0.70 -0.82 2.40 -0.35 -2.00 0.00 0.00 174.74 174.67 3k4m n PRO 444 N 2.83 3.60 -3.78 -0.38 -0.04 -0.52 -1.92 135.00 134.78 3k4m n PRO 444 Ca 0.29 -2.85 -0.12 0.00 -0.04 0.00 0.00 63.50 60.79 3k4m n PRO 444 Cb 0.47 -2.94 -0.08 0.00 -0.04 0.00 0.00 33.50 30.91 3k4m n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4m s TRP 445 N 1.46 -0.07 0.36 0.54 -2.14 -1.26 -4.38 118.94 113.45 3k4m s TRP 445 Ca 0.53 -0.04 -0.09 0.00 2.66 0.00 0.00 56.10 59.16 3k4m s TRP 445 Cb 0.15 0.06 -0.06 0.00 -3.10 0.00 0.00 33.47 30.52 3k4m s TRP 445 CO -0.06 -0.45 0.69 -1.58 -2.66 0.00 0.00 176.95 172.89 3k4m s HIS 446 N -2.26 3.47 -0.00 1.66 5.65 -0.34 -3.12 115.29 120.34 3k4m s HIS 446 Ca -0.07 0.91 0.01 0.00 0.25 0.00 0.00 55.06 56.16 3k4m s HIS 446 Cb -0.02 -2.33 -0.00 0.00 -1.18 0.00 0.00 32.58 29.05 3k4m s HIS 446 CO -0.02 -0.01 -0.03 0.95 -0.65 0.00 0.00 174.74 174.98 3k4m s THR 447 N -2.27 0.27 -0.12 0.89 -4.23 -1.25 -0.14 115.64 108.80 3k4m s THR 447 Ca 0.49 -0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3k4m s THR 447 Cb -0.10 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.52 3k4m s THR 447 CO 0.31 0.06 -0.09 -1.10 -0.54 0.00 0.00 174.62 173.26 3k4m s GLN 448 N -0.12 1.68 -0.40 3.99 -0.21 -0.25 -4.23 119.66 120.12 3k4m s GLN 448 Ca 0.01 -0.32 0.04 0.00 0.02 0.00 0.00 55.36 55.10 3k4m s GLN 448 Cb -0.02 -1.67 0.11 0.00 1.00 0.00 0.00 33.01 32.44 3k4m s GLN 448 CO -0.00 -0.24 0.12 0.42 -2.12 0.00 0.00 175.29 173.47 3k4m s ILE 449 N 1.59 2.44 0.00 1.08 1.01 0.15 -1.44 121.20 126.03 3k4m s ILE 449 Ca 0.03 -2.62 0.00 0.00 0.00 0.00 0.00 60.65 58.07 3k4m s ILE 449 Cb -0.13 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.58 3k4m s ILE 449 CO -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 174.94 174.20 3k4m n HIS 450 N 3.94 -0.45 -3.75 3.97 1.44 -0.55 -0.69 115.22 119.13 3k4m n HIS 450 Ca 0.04 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.52 3k4m n HIS 450 Cb 0.39 0.00 -0.18 0.00 0.12 0.00 0.00 29.99 30.33 3k4m n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4m s ARG 451 N -1.06 0.49 0.29 -1.40 1.81 -1.19 -0.21 118.95 117.69 3k4m s ARG 451 Ca 0.00 0.13 0.04 0.00 -1.72 0.00 0.00 55.73 54.17 3k4m s ARG 451 Cb 0.00 -0.96 -0.03 0.00 -0.45 0.00 0.00 34.95 33.52 3k4m s ARG 451 CO 0.00 -0.33 0.45 -0.51 -0.68 0.00 0.00 175.30 174.23 3k4m s ASP 452 N 2.00 6.24 0.03 0.23 1.01 -1.26 -5.02 116.67 119.90 3k4m s ASP 452 Ca 0.05 0.16 -0.39 0.00 0.71 0.00 0.00 52.55 53.08 3k4m s ASP 452 Cb -0.12 -1.81 -0.19 0.00 1.01 0.00 0.00 42.92 41.80 3k4m s ASP 452 CO -0.05 -0.22 1.13 0.00 0.21 0.00 0.00 175.17 176.24 3k4m n ALA 453 N -1.58 -2.96 -3.13 5.23 0.00 -1.26 -4.96 120.51 111.84 3k4m n ALA 453 Ca -0.06 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 3k4m n ALA 453 Cb 0.57 -1.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.05 3k4m n ALA 453 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k4m s PHE 454 N 0.10 -0.10 -0.65 0.00 5.36 -1.26 -4.80 117.98 116.62 3k4m s PHE 454 Ca 0.89 0.28 -0.23 0.00 -0.96 0.00 0.00 56.93 56.91 3k4m s PHE 454 Cb -1.18 0.00 0.07 0.00 -0.34 0.00 0.00 43.02 41.57 3k4m s PHE 454 CO 0.54 -0.07 0.96 -1.54 -1.46 0.00 0.00 175.22 173.66 3k4m s SER 455 N 0.28 6.18 0.03 6.13 1.04 -1.26 -4.70 113.70 121.41 3k4m s SER 455 Ca -0.02 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.15 3k4m s SER 455 Cb -0.03 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 3k4m s SER 455 CO -0.01 -1.43 1.46 0.26 0.98 0.00 0.00 173.24 174.50 3k4m s TRP 456 N 4.06 2.79 0.37 5.02 0.52 -1.26 -5.00 118.94 125.44 3k4m s TRP 456 Ca 0.22 0.71 -0.27 0.00 0.02 0.00 0.00 56.10 56.79 3k4m s TRP 456 Cb -0.17 -3.74 -0.11 0.00 -1.15 0.00 0.00 33.47 28.30 3k4m s TRP 456 CO 0.11 -2.79 1.19 0.41 0.02 0.00 0.00 176.95 175.89 3k4m n GLY 457 N 3.71 0.31 0.07 0.98 0.00 -1.26 -4.85 105.19 104.16 3k4m n GLY 457 Ca 0.14 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.52 3k4m n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 458 N 0.02 1.91 -0.12 4.61 0.00 -1.26 -1.56 120.51 124.11 3k4m n ALA 458 Ca 0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 3k4m n ALA 458 Cb 0.37 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3k4m n ALA 458 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3k4m h VAL 459 N 0.00 1.27 0.00 0.00 3.04 -1.99 -1.83 116.25 116.74 3k4m h VAL 459 Ca 0.00 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 3k4m h VAL 459 Cb 0.44 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3k4m h VAL 459 CO 0.00 0.53 0.00 1.56 -1.01 0.00 0.00 177.57 178.65 3k4m h GLN 460 N 0.76 0.00 -0.00 4.17 4.20 -1.59 -2.28 115.11 120.37 3k4m h GLN 460 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3k4m h GLN 460 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3k4m h GLN 460 CO 0.10 0.00 -0.09 1.04 -0.67 0.00 0.00 178.83 179.21 3k4m n GLN 461 N -2.55 0.00 0.14 1.46 6.02 -0.69 -2.44 117.38 119.32 3k4m n GLN 461 Ca -0.00 -0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 3k4m n GLN 461 Cb 0.14 -1.50 0.45 0.00 1.02 0.00 0.00 30.24 30.36 3k4m n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m h SER 462 N 0.00 0.19 -3.35 1.08 0.87 -1.35 -3.42 113.55 107.56 3k4m h SER 462 Ca 0.00 -0.03 -0.57 0.00 -1.23 0.00 0.00 61.79 59.96 3k4m h SER 462 Cb 0.50 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 3k4m h SER 462 CO 0.00 0.28 0.21 -0.63 -0.53 0.00 0.00 176.83 176.16 3k4m s ILE 463 N -4.87 4.98 0.12 2.23 -1.09 -1.02 -5.02 121.20 116.52 3k4m s ILE 463 Ca -0.06 1.52 -0.32 0.00 -2.23 0.00 0.00 60.65 59.56 3k4m s ILE 463 Cb 0.16 -4.08 -0.12 0.00 -1.58 0.00 0.00 42.46 36.84 3k4m s ILE 463 CO 0.72 0.16 1.76 -0.67 -1.23 0.00 0.00 174.94 175.67 3k4m n ASP 464 N 4.41 3.71 0.12 3.58 -0.08 -1.26 -4.89 116.55 122.14 3k4m n ASP 464 Ca 0.01 1.02 0.12 0.00 -1.51 0.00 0.00 54.79 54.43 3k4m n ASP 464 Cb 0.50 -1.50 0.48 0.00 2.34 0.00 0.00 41.12 42.94 3k4m n ASP 464 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3k4m n SER 465 N 4.92 0.65 0.12 1.67 3.41 -1.26 -1.87 113.62 121.25 3k4m n SER 465 Ca 0.18 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 3k4m n SER 465 Cb 0.34 -0.79 0.43 0.00 -0.26 0.00 0.00 64.21 63.93 3k4m n SER 465 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3k4m n ARG 466 N -2.20 0.11 0.00 4.33 1.74 -1.26 -2.25 116.66 117.13 3k4m n ARG 466 Ca 0.03 0.58 0.11 0.00 -0.77 0.00 0.00 57.85 57.79 3k4m n ARG 466 Cb 0.25 -1.83 -0.12 0.00 -1.02 0.00 0.00 32.46 29.74 3k4m n ARG 466 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k4m n LEU 467 N -2.06 0.53 -4.86 0.55 4.77 -0.78 -4.95 117.00 110.21 3k4m n LEU 467 Ca -0.01 -0.22 -0.37 0.00 -0.03 0.00 0.00 56.01 55.38 3k4m n LEU 467 Cb 0.04 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3k4m n LEU 467 CO 0.08 0.12 -0.13 -0.63 -1.33 0.00 0.00 177.39 175.49 3k4m s ILE 468 N -3.24 5.44 -0.01 -0.08 1.01 -0.95 -0.23 121.20 123.13 3k4m s ILE 468 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.95 3k4m s ILE 468 Cb 0.15 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3k4m s ILE 468 CO 0.88 0.60 0.00 -0.69 0.00 0.00 0.00 174.94 175.72 3k4m s VAL 469 N -0.91 0.09 0.12 2.92 1.01 -0.71 -4.96 120.40 117.97 3k4m s VAL 469 Ca 0.16 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 3k4m s VAL 469 Cb -0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 3k4m s VAL 469 CO 0.05 0.08 0.62 -1.81 0.00 0.00 0.00 175.10 174.04 3k4m s ASP 470 N 0.52 7.08 -0.15 3.32 1.11 0.70 -0.95 116.67 128.29 3k4m s ASP 470 Ca -0.05 1.32 0.01 0.00 0.18 0.00 0.00 52.55 54.01 3k4m s ASP 470 Cb -0.07 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.56 3k4m s ASP 470 CO -0.01 0.20 -0.16 0.26 1.18 0.00 0.00 175.17 176.63 3k4m s TRP 471 N -1.24 2.36 -0.13 4.23 0.52 -0.04 -1.48 118.94 123.16 3k4m s TRP 471 Ca 0.34 -1.32 -0.01 0.00 0.02 0.00 0.00 56.10 55.13 3k4m s TRP 471 Cb -0.19 -1.69 0.03 0.00 -1.15 0.00 0.00 33.47 30.48 3k4m s TRP 471 CO 0.20 -0.69 -0.05 1.03 0.02 0.00 0.00 176.95 177.47 3k4m s ARG 472 N 1.33 1.27 -0.08 4.98 0.52 -0.52 -1.74 118.95 124.71 3k4m s ARG 472 Ca 0.03 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3k4m s ARG 472 Cb -0.13 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 3k4m s ARG 472 CO -0.10 -0.36 -0.09 -0.06 0.02 0.00 0.00 175.30 174.71 3k4m s PHE 473 N 1.74 2.87 -0.16 -0.53 0.40 -0.85 -1.09 117.98 120.36 3k4m s PHE 473 Ca 0.03 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3k4m s PHE 473 Cb -0.14 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.68 3k4m s PHE 473 CO -0.08 0.20 -0.19 -0.06 0.70 0.00 0.00 175.22 175.80 3k4m s PHE 474 N -0.55 2.60 0.50 0.36 0.40 0.79 -2.20 117.98 119.88 3k4m s PHE 474 Ca 0.08 -1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 54.91 3k4m s PHE 474 Cb -0.12 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 3k4m s PHE 474 CO 0.02 -0.72 0.78 0.20 0.70 0.00 0.00 175.22 176.20 3k4m s GLY 475 N 1.21 1.54 -0.09 4.36 0.00 0.17 -1.20 107.32 113.31 3k4m s GLY 475 Ca 0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 3k4m s GLY 475 CO -0.10 -0.54 -0.01 1.09 0.00 0.00 0.00 173.10 173.55 3k4m s ARG 476 N -4.76 3.02 -0.14 2.90 1.70 -1.26 -4.02 118.95 116.38 3k4m s ARG 476 Ca 0.49 -0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.34 3k4m s ARG 476 Cb -0.10 -2.79 -0.00 0.00 -0.57 0.00 0.00 34.95 31.49 3k4m s ARG 476 CO 0.43 0.67 -0.16 0.99 -1.08 0.00 0.00 175.30 176.14 3k4m s THR 477 N -0.78 2.63 0.17 4.99 2.01 -1.26 -4.72 115.64 118.68 3k4m s THR 477 Ca 0.12 -0.79 -0.33 0.00 0.31 0.00 0.00 61.69 61.00 3k4m s THR 477 Cb -0.11 -2.10 -0.13 0.00 0.01 0.00 0.00 72.50 70.16 3k4m s THR 477 CO 0.02 0.52 1.60 -0.62 -0.69 0.00 0.00 174.62 175.46 3k4m n GLU 478 N 3.92 2.27 -2.07 4.92 1.02 -1.26 -4.08 120.64 125.37 3k4m n GLU 478 Ca -0.19 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.35 3k4m n GLU 478 Cb 0.52 -2.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.31 3k4m n GLU 478 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3k4m s PRO 479 N 0.93 4.19 0.04 3.49 0.04 -1.26 -4.82 135.00 137.61 3k4m s PRO 479 Ca 0.78 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.97 3k4m s PRO 479 Cb -0.64 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 29.94 3k4m s PRO 479 CO 0.37 -0.82 -0.12 0.15 0.04 0.00 0.00 177.00 176.62 3k4m s LYS 480 N 3.90 0.77 0.22 4.56 -0.14 -1.26 -4.96 119.74 122.82 3k4m s LYS 480 Ca 0.71 -0.72 -0.05 0.00 -1.36 0.00 0.00 55.97 54.54 3k4m s LYS 480 Cb -0.32 -0.72 0.21 0.00 -1.68 0.00 0.00 37.83 35.32 3k4m s LYS 480 CO 0.27 0.17 1.69 1.49 -0.76 0.00 0.00 175.35 178.22 3k4m h GLU 481 N 4.86 0.90 0.00 1.68 4.22 -1.94 -2.05 114.58 122.25 3k4m h GLU 481 Ca -0.37 -0.28 0.00 0.00 0.08 0.00 0.00 59.36 58.80 3k4m h GLU 481 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3k4m h GLU 481 CO 0.43 0.91 0.00 1.05 -2.18 0.00 0.00 179.01 179.23 3k4m h GLU 482 N 0.82 0.00 -6.05 1.92 9.09 -1.96 -3.32 114.58 115.08 3k4m h GLU 482 Ca 0.15 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.98 3k4m h GLU 482 Cb 0.54 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.57 3k4m h GLU 482 CO 0.03 0.00 0.74 -0.80 0.05 0.00 0.00 179.01 179.03 3k4m s ASN 483 N -5.56 7.03 0.01 3.06 0.01 -0.79 -4.79 114.94 113.91 3k4m s ASN 483 Ca 0.02 1.27 -0.03 0.00 -0.71 0.00 0.00 52.86 53.41 3k4m s ASN 483 Cb 0.09 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3k4m s ASN 483 CO 0.53 -0.67 0.04 -0.54 -1.51 0.00 0.00 177.10 174.96 3k4m s LYS 484 N 3.18 0.36 -0.15 -0.60 1.02 -0.51 -1.45 119.74 121.59 3k4m s LYS 484 Ca 0.42 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.95 3k4m s LYS 484 Cb -0.15 0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.32 3k4m s LYS 484 CO 0.07 -0.07 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.07 3k4m s LEU 485 N -1.33 1.99 0.24 3.17 2.96 0.15 -0.53 118.68 125.32 3k4m s LEU 485 Ca -0.14 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 3k4m s LEU 485 Cb -0.08 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 3k4m s LEU 485 CO 0.00 0.02 0.12 -1.66 -1.32 0.00 0.00 176.35 173.51 3k4m s TRP 486 N 1.11 1.39 -0.04 5.38 1.48 -0.38 -4.41 118.94 123.47 3k4m s TRP 486 Ca -0.01 -1.30 0.03 0.00 -1.06 0.00 0.00 56.10 53.76 3k4m s TRP 486 Cb -0.14 -0.75 0.00 0.00 -1.16 0.00 0.00 33.47 31.42 3k4m s TRP 486 CO -0.07 -0.50 -0.12 -0.06 -4.06 0.00 0.00 176.95 172.14 3k4m s PHE 487 N -3.90 1.30 0.39 1.66 0.08 -1.26 0.18 117.98 116.44 3k4m s PHE 487 Ca 0.38 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.79 3k4m s PHE 487 Cb 0.07 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.52 3k4m s PHE 487 CO 0.14 -0.16 1.24 0.45 -0.10 0.00 0.00 175.22 176.79 3k4m s SER 488 N 0.25 6.45 0.00 1.36 0.15 -0.63 0.48 113.70 121.77 3k4m s SER 488 Ca -0.06 2.51 0.27 0.00 0.70 0.00 0.00 55.95 59.37 3k4m s SER 488 Cb -0.11 -2.63 1.35 0.00 -1.71 0.00 0.00 66.02 62.92 3k4m s SER 488 CO 0.02 -0.74 1.90 -0.90 1.20 0.00 0.00 173.24 174.72 3k4m n ASP 489 N 0.18 0.70 0.05 5.45 5.68 -1.26 -4.21 116.55 123.15 3k4m n ASP 489 Ca 0.04 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 3k4m n ASP 489 Cb 0.45 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3k4m n ASP 489 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4m n LYS 490 N -0.42 0.00 -2.42 0.11 4.81 -1.26 -5.03 118.16 113.95 3k4m n LYS 490 Ca 0.20 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.23 3k4m n LYS 490 Cb 0.21 -0.24 -0.04 0.00 0.02 0.00 0.00 35.03 34.98 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k4m s ILE 491 N -2.00 3.47 0.26 3.15 -1.09 -1.26 -4.98 121.20 118.74 3k4m s ILE 491 Ca 0.00 1.40 0.06 0.00 -2.23 0.00 0.00 60.65 59.88 3k4m s ILE 491 Cb 0.00 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 3k4m s ILE 491 CO 0.00 0.30 -0.06 0.42 -1.23 0.00 0.00 174.94 174.37 3k4m s THR 492 N -0.81 1.53 0.24 2.92 -4.23 -1.26 -1.36 115.64 112.67 3k4m s THR 492 Ca 0.47 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3k4m s THR 492 Cb -0.33 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.20 3k4m s THR 492 CO 0.40 -0.36 0.33 -0.90 -0.54 0.00 0.00 174.62 173.56 3k4m n ASP 493 N -0.51 0.87 0.19 3.99 5.68 -0.30 -4.76 116.55 121.71 3k4m n ASP 493 Ca -0.06 -1.64 0.12 0.00 -0.50 0.00 0.00 54.79 52.71 3k4m n ASP 493 Cb 0.63 -0.18 0.62 0.00 -1.14 0.00 0.00 41.12 41.05 3k4m n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4m h ALA 494 N 0.33 1.04 -0.35 2.12 0.00 -1.98 0.15 119.26 120.58 3k4m h ALA 494 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k4m h ALA 494 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k4m h ALA 494 CO 0.16 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.03 3k4m n TYR 495 N -2.32 0.72 -2.51 0.00 4.02 -1.26 -4.99 117.16 110.82 3k4m n TYR 495 Ca -0.02 -0.64 -0.10 0.00 -0.01 0.00 0.00 57.90 57.13 3k4m n TYR 495 Cb 0.10 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.28 3k4m n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4m n ASN 496 N 0.22 -3.60 -4.59 7.72 4.13 0.51 -5.02 115.26 114.63 3k4m n ASN 496 Ca 0.16 -0.11 -0.25 0.00 1.68 0.00 0.00 54.58 56.07 3k4m n ASN 496 Cb 0.63 -2.59 -0.09 0.00 -1.54 0.00 0.00 39.78 36.19 3k4m n ASN 496 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3k4m s MET 497 N -4.93 1.96 0.23 3.52 -1.94 -1.26 -4.83 119.30 112.05 3k4m s MET 497 Ca 0.11 -1.81 -0.31 0.00 -1.71 0.00 0.00 55.69 51.98 3k4m s MET 497 Cb -0.05 -1.84 -0.10 0.00 2.01 0.00 0.00 34.83 34.85 3k4m s MET 497 CO 0.13 0.16 1.52 -2.14 -0.01 0.00 0.00 175.02 174.69 3k4m s PRO 498 N -3.66 4.22 0.03 2.03 0.02 -1.26 -1.15 135.00 135.23 3k4m s PRO 498 Ca 0.33 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 3k4m s PRO 498 Cb 0.00 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3k4m s PRO 498 CO 0.18 -0.53 1.22 -1.14 -0.33 0.00 0.00 177.00 176.40 3k4m s GLN 499 N 0.13 4.40 0.20 5.54 2.00 -0.47 -4.67 119.66 126.80 3k4m s GLN 499 Ca 0.64 1.77 -0.31 0.00 -2.00 0.00 0.00 55.36 55.46 3k4m s GLN 499 Cb -0.44 -3.41 -0.10 0.00 0.80 0.00 0.00 33.01 29.87 3k4m s GLN 499 CO 0.40 -0.33 1.44 -2.14 -0.50 0.00 0.00 175.29 174.16 3k4m s PRO 500 N 1.43 4.28 -0.03 1.67 0.02 -1.26 -1.61 135.00 139.50 3k4m s PRO 500 Ca 0.59 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.86 3k4m s PRO 500 Cb -0.29 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.10 3k4m s PRO 500 CO 0.27 -0.44 -0.03 0.99 -0.33 0.00 0.00 177.00 177.47 3k4m s THR 501 N 0.42 0.38 -0.09 0.99 2.01 0.13 -4.64 115.64 114.84 3k4m s THR 501 Ca 0.62 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 3k4m s THR 501 Cb -0.41 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3k4m s THR 501 CO 0.38 0.17 0.15 -0.36 -0.69 0.00 0.00 174.62 174.27 3k4m s PHE 502 N 0.73 3.58 -0.35 4.92 0.08 -1.26 -1.25 117.98 124.43 3k4m s PHE 502 Ca -0.09 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.44 3k4m s PHE 502 Cb -0.12 -1.90 0.11 0.00 -0.57 0.00 0.00 43.02 40.54 3k4m s PHE 502 CO -0.01 0.71 0.14 0.34 -0.10 0.00 0.00 175.22 176.31 3k4m s ASP 503 N -1.31 3.89 -0.06 1.36 -1.08 0.31 -4.48 116.67 115.30 3k4m s ASP 503 Ca 0.19 -1.97 -0.05 0.00 -0.52 0.00 0.00 52.55 50.20 3k4m s ASP 503 Cb -0.12 -0.92 0.02 0.00 -1.46 0.00 0.00 42.92 40.45 3k4m s ASP 503 CO 0.09 -0.37 0.16 0.12 0.52 0.00 0.00 175.17 175.69 3k4m s PHE 504 N 1.20 -0.18 0.03 -5.34 2.19 -0.14 -1.43 117.98 114.30 3k4m s PHE 504 Ca 0.13 0.46 0.01 0.00 0.33 0.00 0.00 56.93 57.86 3k4m s PHE 504 Cb -0.20 0.03 -0.02 0.00 -1.31 0.00 0.00 43.02 41.52 3k4m s PHE 504 CO -0.16 -0.11 -0.05 1.03 1.83 0.00 0.00 175.22 177.76 3k4m s ARG 505 N 0.40 0.39 -0.08 10.12 1.81 -1.26 -3.88 118.95 126.45 3k4m s ARG 505 Ca -0.03 -0.62 -0.29 0.00 -1.72 0.00 0.00 55.73 53.07 3k4m s ARG 505 Cb -0.04 -0.09 -0.06 0.00 -0.45 0.00 0.00 34.95 34.31 3k4m s ARG 505 CO -0.02 0.00 1.79 -0.06 -0.68 0.00 0.00 175.30 176.34 3k4m s PHE 506 N -1.28 1.72 0.46 -0.53 0.08 -1.26 -4.90 117.98 112.28 3k4m s PHE 506 Ca -0.12 0.10 -0.23 0.00 0.12 0.00 0.00 56.93 56.80 3k4m s PHE 506 Cb -0.09 -4.02 -0.09 0.00 -0.57 0.00 0.00 43.02 38.25 3k4m s PHE 506 CO -0.00 -4.20 1.09 -2.30 -0.10 0.00 0.00 175.22 169.71 3k4m n PRO 507 N 7.50 1.44 -1.00 0.24 -0.02 -1.26 -4.81 135.00 137.09 3k4m n PRO 507 Ca 0.19 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3k4m n PRO 507 Cb 0.43 -2.18 0.13 0.00 -0.02 0.00 0.00 33.50 31.86 3k4m n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4m n ALA 508 N -0.67 -0.44 0.00 3.55 0.00 -1.26 -3.04 120.51 118.65 3k4m n ALA 508 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3k4m n ALA 508 Cb 0.41 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3k4m n ALA 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 509 N 0.61 0.41 0.36 0.00 0.00 -1.26 -4.43 105.19 100.88 3k4m n GLY 509 Ca 0.13 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.54 3k4m n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4m h ARG 510 N 0.00 0.84 -0.76 1.61 2.43 -1.98 -1.45 114.38 115.06 3k4m h ARG 510 Ca 0.00 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3k4m h ARG 510 Cb 0.00 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.29 3k4m h ARG 510 CO 0.00 0.55 0.42 1.15 -1.51 0.00 0.00 179.97 180.59 3k4m h THR 511 N 0.86 0.92 0.14 0.20 2.02 -1.77 0.23 112.91 115.50 3k4m h THR 511 Ca 0.53 -0.25 -0.27 0.00 0.77 0.00 0.00 66.41 67.19 3k4m h THR 511 Cb 0.70 0.12 0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3k4m h THR 511 CO -0.31 0.13 -1.13 0.28 0.37 0.00 0.00 175.52 174.87 3k4m h SER 512 N 0.73 0.76 -0.31 4.18 0.02 -1.22 -2.02 113.55 115.69 3k4m h SER 512 Ca 0.36 -0.86 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3k4m h SER 512 Cb 0.30 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3k4m h SER 512 CO -0.23 1.55 0.09 0.50 -1.14 0.00 0.00 176.83 177.60 3k4m h LYS 513 N 0.08 0.49 -0.58 3.45 3.64 -1.06 -1.86 116.57 120.73 3k4m h LYS 513 Ca -0.18 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3k4m h LYS 513 Cb 1.84 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.56 3k4m h LYS 513 CO 0.22 0.54 0.39 0.93 -2.27 0.00 0.00 179.45 179.25 3k4m h GLU 514 N 0.34 0.73 -0.43 1.90 5.08 -0.62 0.76 114.58 122.34 3k4m h GLU 514 Ca 0.10 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3k4m h GLU 514 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3k4m h GLU 514 CO -0.00 0.48 -0.28 0.00 -1.00 0.00 0.00 179.01 178.21 3k4m h ALA 515 N 1.65 0.68 -0.26 3.43 0.00 -0.96 0.58 119.26 124.38 3k4m h ALA 515 Ca 0.22 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3k4m h ALA 515 Cb -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k4m h ALA 515 CO -0.05 0.67 -0.36 1.49 0.00 0.00 0.00 179.25 181.00 3k4m h GLU 516 N 0.80 0.69 -0.68 0.00 4.57 -0.90 -1.95 114.58 117.12 3k4m h GLU 516 Ca 0.09 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3k4m h GLU 516 Cb 0.85 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 3k4m h GLU 516 CO 0.08 1.02 0.43 -0.44 -1.18 0.00 0.00 179.01 178.92 3k4m h ASP 517 N 0.42 0.79 -0.60 1.04 3.32 -0.69 -2.26 116.42 118.45 3k4m h ASP 517 Ca 0.03 -0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.12 3k4m h ASP 517 Cb 0.95 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 3k4m h ASP 517 CO 0.08 0.59 0.27 -0.03 -1.72 0.00 0.00 179.24 178.43 3k4m h MET 518 N 0.92 0.47 -0.81 3.56 4.05 0.29 -1.65 114.93 121.77 3k4m h MET 518 Ca 0.25 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3k4m h MET 518 Cb -0.08 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.58 3k4m h MET 518 CO -0.05 0.31 0.37 1.98 0.23 0.00 0.00 176.91 179.75 3k4m h MET 519 N 0.49 1.17 -0.64 0.39 1.85 -0.96 -1.82 114.93 115.41 3k4m h MET 519 Ca 0.29 -0.18 -0.08 0.00 -0.61 0.00 0.00 59.70 59.12 3k4m h MET 519 Cb 0.29 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 3k4m h MET 519 CO -0.25 0.91 0.09 1.15 -0.40 0.00 0.00 176.91 178.41 3k4m h THR 520 N 1.15 1.26 -0.45 -0.77 2.02 -0.92 -1.95 112.91 113.26 3k4m h THR 520 Ca 0.28 -1.05 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 3k4m h THR 520 Cb 0.14 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3k4m h THR 520 CO -0.03 0.39 -0.15 -0.78 0.37 0.00 0.00 175.52 175.32 3k4m h ASP 521 N 1.00 0.84 -0.25 4.18 3.58 -0.99 0.16 116.42 124.94 3k4m h ASP 521 Ca 0.19 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3k4m h ASP 521 Cb 0.45 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3k4m h ASP 521 CO 0.02 0.99 0.13 -0.03 -2.88 0.00 0.00 179.24 177.47 3k4m h MET 522 N 0.75 0.35 -0.79 0.28 4.05 -1.05 0.13 114.93 118.65 3k4m h MET 522 Ca 0.12 -0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.59 3k4m h MET 522 Cb 0.66 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.32 3k4m h MET 522 CO 0.05 0.32 0.43 0.00 0.23 0.00 0.00 176.91 177.94 3k4m h VAL 524 N 0.72 1.32 -0.08 0.00 2.07 -0.67 -2.96 116.25 116.64 3k4m h VAL 524 Ca 0.38 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 3k4m h VAL 524 Cb 0.38 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3k4m h VAL 524 CO -0.26 0.48 -0.28 -0.03 0.02 0.00 0.00 177.57 177.50 3k4m h MET 525 N 0.36 0.33 -0.84 1.57 -1.53 -0.65 -3.20 114.93 110.98 3k4m h MET 525 Ca 0.03 -0.25 0.00 0.00 -3.44 0.00 0.00 59.70 56.04 3k4m h MET 525 Cb 0.91 0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.97 3k4m h MET 525 CO 0.08 0.88 0.53 0.66 0.14 0.00 0.00 176.91 179.20 3k4m h SER 526 N -0.15 0.98 -0.66 1.39 4.64 -1.15 -1.08 113.55 117.52 3k4m h SER 526 Ca -0.01 -0.04 0.19 0.00 -0.47 0.00 0.00 61.79 61.46 3k4m h SER 526 Cb 0.92 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 3k4m h SER 526 CO 0.06 0.73 0.53 0.00 -0.87 0.00 0.00 176.83 177.28 3k4m h ALA 527 N 1.44 2.55 0.00 5.18 0.00 -1.51 0.22 119.26 127.14 3k4m h ALA 527 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3k4m h ALA 527 Cb -0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k4m h ALA 527 CO -0.06 -0.87 0.00 0.87 0.00 0.00 0.00 179.25 179.19 3k4m h LYS 528 N 0.00 0.00 0.00 0.00 1.57 -1.27 -3.31 116.57 113.56 3k4m h LYS 528 Ca 0.31 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.77 3k4m h LYS 528 Cb 1.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.62 3k4m h LYS 528 CO -0.00 0.00 -2.21 -0.89 -0.57 0.00 0.00 179.45 175.77 3k4m n ILE 529 N -2.33 1.22 -0.53 1.86 2.08 0.74 -4.98 119.36 117.42 3k4m n ILE 529 Ca 0.03 -0.62 0.00 0.00 0.56 0.00 0.00 62.75 62.72 3k4m n ILE 529 Cb 0.30 -0.87 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 3k4m n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4m n GLY 530 N 2.16 -1.86 3.97 7.39 0.00 -1.00 -0.76 105.19 115.08 3k4m n GLY 530 Ca -0.33 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 3k4m n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4m s GLY 531 N 0.00 1.60 0.50 -0.02 0.00 -1.19 -3.93 107.32 104.28 3k4m s GLY 531 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 43.30 3k4m s GLY 531 CO 0.00 -1.05 1.22 -1.36 0.00 0.00 0.00 173.10 171.91 3k4m s PHE 532 N -2.46 2.65 -0.24 1.90 0.08 -1.26 -0.69 117.98 117.96 3k4m s PHE 532 Ca 0.48 1.49 -0.27 0.00 0.12 0.00 0.00 56.93 58.75 3k4m s PHE 532 Cb -0.10 -3.50 0.01 0.00 -0.57 0.00 0.00 43.02 38.85 3k4m s PHE 532 CO 0.36 -1.97 0.96 -1.17 -0.10 0.00 0.00 175.22 173.30 3k4m s LEU 533 N -3.32 4.08 0.02 -0.37 2.96 0.10 -4.63 118.68 117.52 3k4m s LEU 533 Ca 0.68 1.21 -0.36 0.00 -0.22 0.00 0.00 54.13 55.44 3k4m s LEU 533 Cb -0.32 -3.40 -0.18 0.00 0.50 0.00 0.00 46.19 42.79 3k4m s LEU 533 CO 0.38 -0.63 0.94 -2.65 -1.32 0.00 0.00 176.35 173.07 3k4m n PRO 534 N 6.25 0.00 -0.03 0.98 -0.02 -1.26 -0.04 135.00 140.87 3k4m n PRO 534 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3k4m n PRO 534 Cb 0.47 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3k4m n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 535 N 1.43 1.99 2.60 -1.23 0.00 -1.26 -4.77 105.19 103.94 3k4m n GLY 535 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 3k4m n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4m n SER 536 N 0.00 2.56 -4.82 1.61 7.64 0.94 -5.05 113.62 116.51 3k4m n SER 536 Ca 0.00 -3.04 -0.32 0.00 1.01 0.00 0.00 58.87 56.52 3k4m n SER 536 Cb 0.00 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 62.69 3k4m n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4m s LEU 537 N -3.28 3.53 -0.02 -3.43 1.43 -1.24 -1.92 118.68 113.74 3k4m s LEU 537 Ca 0.34 1.72 -0.38 0.00 -1.03 0.00 0.00 54.13 54.78 3k4m s LEU 537 Cb 0.44 -4.52 -0.17 0.00 0.03 0.00 0.00 46.19 41.97 3k4m s LEU 537 CO -0.04 -0.96 1.45 -0.81 0.23 0.00 0.00 176.35 176.22 3k4m n PRO 538 N -1.91 1.11 -3.65 1.29 -0.04 -1.25 -4.62 135.00 125.92 3k4m n PRO 538 Ca 0.08 0.40 -0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3k4m n PRO 538 Cb 0.53 -2.05 -0.05 0.00 -0.04 0.00 0.00 33.50 31.89 3k4m n PRO 538 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3k4m s GLN 539 N 1.33 1.00 0.19 0.54 -2.07 -0.25 -4.97 119.66 115.43 3k4m s GLN 539 Ca 0.89 -0.55 -0.30 0.00 -1.82 0.00 0.00 55.36 53.58 3k4m s GLN 539 Cb -1.00 0.44 -0.08 0.00 -1.09 0.00 0.00 33.01 31.28 3k4m s GLN 539 CO 0.53 -0.37 1.05 -0.06 -1.32 0.00 0.00 175.29 175.12 3k4m s PHE 540 N -3.20 3.69 0.60 9.60 0.08 -1.26 -1.11 117.98 126.38 3k4m s PHE 540 Ca -0.01 1.70 -0.06 0.00 0.12 0.00 0.00 56.93 58.69 3k4m s PHE 540 Cb 0.01 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.28 3k4m s PHE 540 CO -0.08 -0.29 0.91 -1.64 -0.10 0.00 0.00 175.22 174.03 3k4m s MET 541 N -0.63 2.83 0.18 0.44 -1.94 0.12 -4.97 119.30 115.34 3k4m s MET 541 Ca 0.47 -0.04 -0.33 0.00 -1.71 0.00 0.00 55.69 54.07 3k4m s MET 541 Cb -0.28 -2.26 -0.13 0.00 2.01 0.00 0.00 34.83 34.16 3k4m s MET 541 CO 0.35 -0.76 1.64 -1.91 -0.01 0.00 0.00 175.02 174.32 3k4m n GLU 542 N -2.62 2.40 -1.68 2.03 2.13 -1.26 -4.75 120.64 116.89 3k4m n GLU 542 Ca 0.05 0.87 -0.45 0.00 0.66 0.00 0.00 57.16 58.29 3k4m n GLU 542 Cb 0.58 -2.67 -0.04 0.00 0.27 0.00 0.00 31.44 29.58 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3k4m n PRO 543 N 3.67 2.41 -0.16 5.31 -0.02 -1.26 -1.15 135.00 143.81 3k4m n PRO 543 Ca 0.17 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3k4m n PRO 543 Cb 0.31 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3k4m n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 544 N 3.92 0.85 0.21 -1.23 0.00 -1.26 0.05 105.19 107.73 3k4m n GLY 544 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3k4m n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4m h LEU 545 N 0.00 0.00 -2.09 0.99 5.85 -1.19 -2.08 115.31 116.79 3k4m h LEU 545 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k4m h LEU 545 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3k4m h LEU 545 CO 0.00 0.23 -0.08 1.62 -0.34 0.00 0.00 178.44 179.88 3k4m h VAL 546 N 0.00 0.66 -5.44 1.05 3.04 -1.86 -3.47 116.25 110.23 3k4m h VAL 546 Ca -0.00 -0.31 -0.32 0.00 -1.01 0.00 0.00 66.70 65.06 3k4m h VAL 546 Cb 0.41 1.19 0.15 0.00 -2.01 0.00 0.00 31.29 31.04 3k4m h VAL 546 CO 0.03 0.07 -0.71 0.18 -1.01 0.00 0.00 177.57 176.14 3k4m n LEU 547 N -3.87 -3.80 -2.47 3.16 4.77 -0.79 -4.93 117.00 109.07 3k4m n LEU 547 Ca -0.02 -0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 3k4m n LEU 547 Cb 0.17 -2.95 0.04 0.00 -2.33 0.00 0.00 43.42 38.35 3k4m n LEU 547 CO 0.30 0.40 0.08 1.41 -1.33 0.00 0.00 177.39 178.25 3k4m n HIS 548 N -4.09 1.95 -2.36 -1.77 8.25 -1.26 -5.02 115.22 110.91 3k4m n HIS 548 Ca -0.22 -2.19 -0.42 0.00 -0.26 0.00 0.00 57.72 54.63 3k4m n HIS 548 Cb 0.64 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 3k4m n HIS 548 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k4m s LEU 549 N -3.70 4.39 0.00 2.41 2.96 -1.26 -4.41 118.68 119.06 3k4m s LEU 549 Ca 0.38 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 3k4m s LEU 549 Cb 0.36 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.47 3k4m s LEU 549 CO -0.00 -0.48 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 3k4m n GLY 550 N 3.04 4.05 2.60 7.98 0.00 0.32 -4.33 105.19 118.85 3k4m n GLY 550 Ca 0.08 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 3k4m n GLY 550 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLY 551 N 0.56 0.50 0.26 -0.02 0.00 -0.39 -2.07 105.19 104.04 3k4m n GLY 551 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.07 3k4m n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4m h THR 552 N 0.00 0.12 -1.15 2.61 1.35 -1.79 -3.33 112.91 110.71 3k4m h THR 552 Ca -0.07 -0.73 -0.38 0.00 -0.55 0.00 0.00 66.41 64.68 3k4m h THR 552 Cb 0.73 1.65 -0.29 0.00 -1.73 0.00 0.00 68.15 68.51 3k4m h THR 552 CO 0.11 0.05 -0.87 0.00 -0.25 0.00 0.00 175.52 174.55 3k4m n HIS 553 N -3.15 -1.18 -2.41 4.73 1.44 -0.29 -1.51 115.22 112.85 3k4m n HIS 553 Ca 0.01 -3.07 -0.35 0.00 -2.01 0.00 0.00 57.72 52.30 3k4m n HIS 553 Cb 0.37 0.46 -0.02 0.00 0.12 0.00 0.00 29.99 30.92 3k4m n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4m s ARG 554 N -1.19 3.67 0.20 -1.40 1.70 -1.03 -4.06 118.95 116.85 3k4m s ARG 554 Ca 0.33 1.51 -0.09 0.00 -0.47 0.00 0.00 55.73 57.00 3k4m s ARG 554 Cb 0.31 -2.14 -0.07 0.00 -0.57 0.00 0.00 34.95 32.49 3k4m s ARG 554 CO -0.08 -0.57 0.51 1.41 -1.08 0.00 0.00 175.30 175.50 3k4m s MET 555 N -3.13 3.78 0.11 3.89 -2.45 0.64 0.11 119.30 122.26 3k4m s MET 555 Ca 0.68 0.23 -0.26 0.00 -1.25 0.00 0.00 55.69 55.09 3k4m s MET 555 Cb -0.21 -2.71 0.08 0.00 1.25 0.00 0.00 34.83 33.24 3k4m s MET 555 CO 0.25 0.36 1.08 0.20 1.05 0.00 0.00 175.02 177.96 3k4m s GLY 556 N -2.30 -0.18 0.11 2.11 0.00 -0.48 -4.55 107.32 102.02 3k4m s GLY 556 Ca 0.45 0.14 -0.13 0.00 0.00 0.00 0.00 44.72 45.18 3k4m s GLY 556 CO 0.21 0.99 1.34 0.74 0.00 0.00 0.00 173.10 176.39 3k4m h PHE 557 N 2.00 1.05 -3.33 1.90 0.04 -1.93 -3.35 116.94 113.33 3k4m h PHE 557 Ca -0.26 -0.42 -0.44 0.00 2.80 0.00 0.00 57.97 59.64 3k4m h PHE 557 Cb 1.22 -0.18 -0.36 0.00 2.20 0.00 0.00 35.95 38.83 3k4m h PHE 557 CO 0.68 1.25 -0.77 0.34 -0.60 0.00 0.00 178.31 179.21 3k4m s ASP 558 N -6.99 1.40 0.18 2.17 2.15 -1.26 -4.90 116.67 109.42 3k4m s ASP 558 Ca -0.11 -0.13 -0.18 0.00 0.43 0.00 0.00 52.55 52.56 3k4m s ASP 558 Cb 0.09 -0.50 0.14 0.00 -0.30 0.00 0.00 42.92 42.35 3k4m s ASP 558 CO 0.89 -0.12 1.62 -0.08 -0.17 0.00 0.00 175.17 177.31 3k4m h GLU 559 N 7.82 -0.10 0.17 4.34 4.81 -1.87 -1.65 114.58 128.09 3k4m h GLU 559 Ca -0.28 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3k4m h GLU 559 Cb 1.14 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3k4m h GLU 559 CO 0.37 -0.07 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.28 3k4m h LYS 560 N -0.11 -0.22 -0.77 1.92 3.64 -1.97 -2.59 116.57 116.47 3k4m h LYS 560 Ca 0.23 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.76 3k4m h LYS 560 Cb 0.46 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 3k4m h LYS 560 CO -0.56 -0.15 0.51 0.93 -2.27 0.00 0.00 179.45 177.92 3k4m h GLU 561 N -0.97 0.49 -0.41 1.90 5.08 -1.99 -1.92 114.58 116.77 3k4m h GLU 561 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3k4m h GLU 561 Cb 0.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3k4m h GLU 561 CO 0.04 0.33 0.00 -0.25 -1.00 0.00 0.00 179.01 178.12 3k4m n ASP 562 N -4.50 3.73 -3.47 1.42 8.00 -0.63 -5.03 116.55 116.07 3k4m n ASP 562 Ca 0.14 -2.43 -0.27 0.00 0.71 0.00 0.00 54.79 52.95 3k4m n ASP 562 Cb 0.48 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3k4m n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4m n ASN 563 N 0.39 -4.39 -3.98 -2.24 4.13 -0.72 -4.85 115.26 103.60 3k4m n ASN 563 Ca 0.19 -0.58 -0.09 0.00 1.68 0.00 0.00 54.58 55.77 3k4m n ASN 563 Cb 0.69 -1.38 -0.05 0.00 -1.54 0.00 0.00 39.78 37.50 3k4m n ASN 563 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4m s VAL 566 N -2.04 1.94 0.00 0.00 -7.23 -1.10 -2.60 120.40 109.37 3k4m s VAL 566 Ca -0.02 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3k4m s VAL 566 Cb 0.01 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 35.08 3k4m s VAL 566 CO 0.05 -0.20 0.00 -0.46 -0.31 0.00 0.00 175.10 174.18 3k4m n ASN 567 N 0.46 0.00 0.00 4.85 0.23 -0.61 -1.39 115.26 118.80 3k4m n ASN 567 Ca -0.14 -0.91 0.13 0.00 -0.53 0.00 0.00 54.58 53.13 3k4m n ASN 567 Cb 0.56 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.95 3k4m n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4m n THR 568 N -1.43 0.13 0.74 5.53 -2.24 -1.25 0.11 114.28 115.87 3k4m n THR 568 Ca 0.00 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 3k4m n THR 568 Cb 0.00 -0.61 0.27 0.00 -2.10 0.00 0.00 70.33 67.89 3k4m n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4m n ASP 569 N -1.21 2.38 -1.83 3.42 8.00 -1.26 -4.66 116.55 121.39 3k4m n ASP 569 Ca 0.14 -1.89 -0.17 0.00 0.71 0.00 0.00 54.79 53.59 3k4m n ASP 569 Cb 0.18 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3k4m n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4m n SER 570 N 0.79 -4.59 -4.70 -2.24 7.64 0.31 -4.42 113.62 106.41 3k4m n SER 570 Ca 0.17 0.29 -0.40 0.00 1.01 0.00 0.00 58.87 59.94 3k4m n SER 570 Cb 0.41 -4.04 -0.05 0.00 -1.01 0.00 0.00 64.21 59.53 3k4m n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4m s ARG 571 N -4.01 4.39 0.01 1.43 3.52 -1.26 -1.33 118.95 121.71 3k4m s ARG 571 Ca 0.00 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 3k4m s ARG 571 Cb 0.00 -3.48 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 3k4m s ARG 571 CO 0.00 -0.02 1.63 0.08 -0.81 0.00 0.00 175.30 176.18 3k4m s VAL 572 N 1.10 3.35 0.23 7.11 1.01 -0.78 -1.57 120.40 130.86 3k4m s VAL 572 Ca 0.37 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 3k4m s VAL 572 Cb -0.17 -3.41 -0.15 0.00 0.00 0.00 0.00 36.38 32.64 3k4m s VAL 572 CO 0.16 -0.03 1.03 0.49 0.00 0.00 0.00 175.10 176.76 3k4m n PHE 573 N 6.26 1.13 0.00 5.22 3.72 -1.07 -1.80 117.46 130.91 3k4m n PHE 573 Ca 0.16 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.28 3k4m n PHE 573 Cb 0.42 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.72 3k4m n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4m n GLY 574 N 1.63 3.00 3.56 1.37 0.00 -1.26 -4.99 105.19 108.50 3k4m n GLY 574 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3k4m n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 575 N -1.85 3.06 0.15 1.61 0.40 -0.75 -4.16 117.98 116.45 3k4m s PHE 575 Ca 0.00 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.15 3k4m s PHE 575 Cb 0.00 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 3k4m s PHE 575 CO 0.00 0.15 1.42 0.87 0.70 0.00 0.00 175.22 178.36 3k4m h LYS 576 N 6.12 0.65 0.00 0.44 6.56 -1.54 -3.39 116.57 125.41 3k4m h LYS 576 Ca -0.39 -0.46 -0.07 0.00 -1.06 0.00 0.00 60.65 58.67 3k4m h LYS 576 Cb 1.19 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 32.77 3k4m h LYS 576 CO 0.60 1.08 -0.64 0.27 -2.06 0.00 0.00 179.45 178.70 3k4m n ASN 577 N -3.93 1.02 -4.11 0.86 6.94 -1.26 -5.01 115.26 109.76 3k4m n ASN 577 Ca -0.05 -2.50 -0.29 0.00 -0.02 0.00 0.00 54.58 51.73 3k4m n ASN 577 Cb 0.67 -0.33 -0.17 0.00 -2.36 0.00 0.00 39.78 37.59 3k4m n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4m s LEU 578 N -0.99 1.84 0.01 -4.53 2.96 -1.26 -1.07 118.68 115.65 3k4m s LEU 578 Ca 0.24 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3k4m s LEU 578 Cb 0.26 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 3k4m s LEU 578 CO -0.07 0.08 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.54 3k4m s PHE 579 N 0.64 1.12 -0.08 5.38 0.40 -0.31 -1.86 117.98 123.27 3k4m s PHE 579 Ca -0.14 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 3k4m s PHE 579 Cb -0.16 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 3k4m s PHE 579 CO 0.04 0.00 -0.11 -0.51 0.70 0.00 0.00 175.22 175.34 3k4m s LEU 580 N -0.70 2.88 0.04 -0.37 1.43 -0.44 -0.28 118.68 121.23 3k4m s LEU 580 Ca 0.03 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 3k4m s LEU 580 Cb -0.06 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3k4m s LEU 580 CO 0.00 0.29 -0.21 -0.83 0.23 0.00 0.00 176.35 175.83 3k4m s GLY 581 N -0.38 1.12 0.00 -3.19 0.00 -0.64 -4.75 107.32 99.49 3k4m s GLY 581 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.71 3k4m s GLY 581 CO 0.02 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.76 3k4m n GLY 582 N 1.90 1.56 0.27 0.20 0.00 -1.26 -4.42 105.19 103.44 3k4m n GLY 582 Ca -0.17 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 43.98 3k4m n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h GLY 584 N 0.33 0.00 1.89 0.00 0.00 -1.88 -1.76 103.07 101.65 3k4m h GLY 584 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3k4m h GLY 584 CO 0.01 0.00 -0.72 3.43 0.00 0.00 0.00 176.54 179.26 3k4m h ASN 585 N 0.00 0.13 -2.70 0.19 2.35 -1.44 -0.68 115.58 113.43 3k4m h ASN 585 Ca 0.21 -0.09 -0.55 0.00 -0.55 0.00 0.00 56.30 55.32 3k4m h ASN 585 Cb 1.45 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.77 3k4m h ASN 585 CO -0.00 0.80 1.03 -0.63 -1.65 0.00 0.00 177.43 176.98 3k4m s ILE 586 N -3.45 3.79 -2.10 2.81 1.01 -0.67 -0.26 121.20 122.32 3k4m s ILE 586 Ca -0.02 0.96 0.24 0.00 0.00 0.00 0.00 60.65 61.83 3k4m s ILE 586 Cb 0.12 -3.62 0.11 0.00 0.01 0.00 0.00 42.46 39.08 3k4m s ILE 586 CO 0.79 -0.08 1.26 -0.81 0.00 0.00 0.00 174.94 176.10 3k4m n PRO 587 N 6.93 1.27 -3.07 2.79 -0.04 -1.26 -1.26 135.00 140.37 3k4m n PRO 587 Ca 0.16 -0.98 -0.18 0.00 -0.04 0.00 0.00 63.50 62.46 3k4m n PRO 587 Cb 0.43 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3k4m n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4m s THR 588 N -2.40 2.76 -0.18 0.52 -4.23 -1.26 -4.77 115.64 106.08 3k4m s THR 588 Ca 0.22 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.43 3k4m s THR 588 Cb 0.19 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 3k4m s THR 588 CO 0.52 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.51 3k4m s ALA 589 N -2.44 3.54 -0.01 3.99 0.00 -1.26 -4.81 121.76 120.78 3k4m s ALA 589 Ca 0.56 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 3k4m s ALA 589 Cb -0.08 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3k4m s ALA 589 CO 0.34 -0.75 0.02 1.52 0.00 0.00 0.00 175.76 176.89 3k4m s TYR 590 N 2.40 -0.01 -0.14 0.00 1.13 -1.26 -4.52 117.35 114.95 3k4m s TYR 590 Ca 0.41 0.06 0.10 0.00 -1.41 0.00 0.00 57.07 56.23 3k4m s TYR 590 Cb -0.16 -0.04 -0.23 0.00 -1.10 0.00 0.00 41.96 40.42 3k4m s TYR 590 CO 0.12 -0.02 0.28 0.41 -2.51 0.00 0.00 175.55 173.82 3k4m n GLY 591 N 3.29 -0.84 3.89 5.49 0.00 -1.26 -4.32 105.19 111.44 3k4m n GLY 591 Ca -0.15 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3k4m n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 592 N -2.54 3.22 0.08 4.61 0.00 -1.26 -4.30 121.76 121.55 3k4m s ALA 592 Ca -0.14 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 3k4m s ALA 592 Cb 0.07 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 3k4m s ALA 592 CO 0.79 -0.59 1.86 -0.80 0.00 0.00 0.00 175.76 177.02 3k4m s ASN 593 N -4.17 6.46 0.15 0.00 -0.87 -1.26 -4.87 114.94 110.37 3k4m s ASN 593 Ca 0.52 2.68 0.25 0.00 -1.57 0.00 0.00 52.86 54.74 3k4m s ASN 593 Cb -0.11 -2.55 0.92 0.00 -0.02 0.00 0.00 41.25 39.50 3k4m s ASN 593 CO 0.50 -1.01 1.75 -0.81 -2.57 0.00 0.00 177.10 174.96 3k4m n PRO 594 N 6.49 0.15 -0.08 -0.60 -0.04 -1.26 -4.31 135.00 135.34 3k4m n PRO 594 Ca 0.18 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.85 3k4m n PRO 594 Cb 0.40 -1.71 0.24 0.00 -0.04 0.00 0.00 33.50 32.39 3k4m n PRO 594 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3k4m h THR 595 N 0.00 1.21 -0.23 0.52 2.02 -1.89 -2.03 112.91 112.50 3k4m h THR 595 Ca 0.00 -0.75 -0.18 0.00 0.77 0.00 0.00 66.41 66.25 3k4m h THR 595 Cb 0.53 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3k4m h THR 595 CO 0.00 0.28 -0.55 0.25 0.37 0.00 0.00 175.52 175.87 3k4m h LEU 596 N 0.69 0.88 -0.42 2.58 5.85 -1.87 -0.27 115.31 122.77 3k4m h LEU 596 Ca 0.16 -0.56 0.06 0.00 0.84 0.00 0.00 57.88 58.38 3k4m h LEU 596 Cb 0.27 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3k4m h LEU 596 CO -0.00 1.28 0.09 0.74 -0.34 0.00 0.00 178.44 180.21 3k4m h THR 597 N 0.52 0.80 -0.65 1.05 2.02 -1.77 0.87 112.91 115.74 3k4m h THR 597 Ca -0.00 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.18 3k4m h THR 597 Cb 1.16 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 3k4m h THR 597 CO 0.12 0.04 0.31 0.00 0.37 0.00 0.00 175.52 176.36 3k4m h ALA 598 N 1.31 0.87 -0.24 6.16 0.00 -0.64 -1.93 119.26 124.79 3k4m h ALA 598 Ca 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3k4m h ALA 598 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k4m h ALA 598 CO -0.25 -0.07 0.12 1.98 0.00 0.00 0.00 179.25 181.03 3k4m h MET 599 N 0.56 0.34 -0.91 0.00 -1.53 -0.55 -1.34 114.93 111.50 3k4m h MET 599 Ca 0.31 -0.05 0.14 0.00 -3.44 0.00 0.00 59.70 56.66 3k4m h MET 599 Cb 0.31 -0.06 -0.09 0.00 -0.55 0.00 0.00 31.60 31.20 3k4m h MET 599 CO -0.25 0.34 0.52 0.77 0.14 0.00 0.00 176.91 178.43 3k4m h SER 600 N 0.26 0.70 -0.36 1.39 0.02 -0.43 -0.86 113.55 114.27 3k4m h SER 600 Ca 0.08 0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 3k4m h SER 600 Cb 0.10 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3k4m h SER 600 CO -0.01 0.32 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.52 3k4m h LEU 601 N 0.77 0.99 -1.03 5.07 3.38 -0.81 -2.54 115.31 121.14 3k4m h LEU 601 Ca 0.48 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k4m h LEU 601 Cb 0.61 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3k4m h LEU 601 CO -0.32 1.26 0.56 0.00 0.09 0.00 0.00 178.44 180.03 3k4m h ALA 602 N 0.78 1.28 -0.05 1.53 0.00 -0.67 -0.93 119.26 121.19 3k4m h ALA 602 Ca 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k4m h ALA 602 Cb 1.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k4m h ALA 602 CO 0.10 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.82 3k4m h ILE 603 N 1.25 1.13 -0.66 0.00 2.04 -0.85 -1.83 117.51 118.59 3k4m h ILE 603 Ca 0.33 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3k4m h ILE 603 Cb -0.08 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3k4m h ILE 603 CO -0.06 0.10 0.37 0.50 0.00 0.00 0.00 178.15 179.06 3k4m h LYS 604 N -0.06 0.67 -0.63 2.37 3.64 -1.13 -1.57 116.57 119.86 3k4m h LYS 604 Ca 0.02 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3k4m h LYS 604 Cb 0.15 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 3k4m h LYS 604 CO -0.00 0.44 0.25 1.03 -2.27 0.00 0.00 179.45 178.90 3k4m h SER 605 N 0.69 0.26 0.46 4.20 0.87 -0.97 -1.12 113.55 117.94 3k4m h SER 605 Ca 0.29 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 3k4m h SER 605 Cb 0.16 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3k4m h SER 605 CO -0.17 0.15 -0.09 0.00 -0.53 0.00 0.00 176.83 176.19 3k4m h GLU 607 N 0.00 0.85 -0.32 0.00 5.08 -0.72 -0.64 114.58 118.83 3k4m h GLU 607 Ca -0.00 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 3k4m h GLU 607 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3k4m h GLU 607 CO 0.01 1.06 0.02 -0.92 -1.00 0.00 0.00 179.01 178.18 3k4m h TYR 608 N 0.71 0.60 -0.16 4.33 5.03 -1.04 -1.70 116.97 124.72 3k4m h TYR 608 Ca 0.07 -0.09 0.03 0.00 2.58 0.00 0.00 58.73 61.31 3k4m h TYR 608 Cb 0.90 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.99 3k4m h TYR 608 CO 0.05 0.66 -0.01 0.82 -1.32 0.00 0.00 178.16 178.35 3k4m h ILE 609 N 0.36 0.87 -0.06 1.81 2.04 -1.26 -1.69 117.51 119.59 3k4m h ILE 609 Ca 0.09 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3k4m h ILE 609 Cb 0.40 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3k4m h ILE 609 CO 0.01 0.01 -0.17 0.11 0.00 0.00 0.00 178.15 178.11 3k4m h LYS 610 N 0.04 0.09 -0.00 2.37 1.57 -0.93 -0.50 116.57 119.20 3k4m h LYS 610 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k4m h LYS 610 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3k4m h LYS 610 CO -0.14 0.26 -0.09 1.04 -0.57 0.00 0.00 179.45 179.95 3k4m n GLN 611 N -4.30 0.38 0.00 3.15 6.02 -0.66 -4.34 117.38 117.64 3k4m n GLN 611 Ca -0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3k4m n GLN 611 Cb 0.26 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3k4m n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4m n ASN 612 N -1.24 0.47 -3.78 1.08 3.02 -0.27 -5.05 115.26 109.48 3k4m n ASN 612 Ca 0.12 -1.00 -0.14 0.00 -0.03 0.00 0.00 54.58 53.53 3k4m n ASN 612 Cb 0.28 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.31 3k4m n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4m s PHE 613 N -0.00 -0.08 -0.17 3.10 0.08 -0.74 -5.05 117.98 115.13 3k4m s PHE 613 Ca 0.00 0.29 -0.17 0.00 0.12 0.00 0.00 56.93 57.17 3k4m s PHE 613 Cb 0.00 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.31 3k4m s PHE 613 CO 0.00 -0.11 0.44 0.99 -0.10 0.00 0.00 175.22 176.44 3k4m s THR 614 N 0.84 5.19 0.58 0.64 2.01 -1.26 -4.77 115.64 118.87 3k4m s THR 614 Ca -0.07 0.81 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 3k4m s THR 614 Cb -0.09 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3k4m s THR 614 CO -0.03 0.27 1.34 -2.16 -0.69 0.00 0.00 174.62 173.34 3k4m s PRO 615 N 1.11 2.93 0.64 4.92 0.04 -1.26 -4.98 135.00 138.39 3k4m s PRO 615 Ca 0.22 2.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 3k4m s PRO 615 Cb -0.15 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3k4m s PRO 615 CO 0.08 -1.34 1.04 -1.54 0.04 0.00 0.00 177.00 175.29 3k4m s SER 616 N -1.11 5.78 0.43 6.66 1.04 -1.26 -4.99 113.70 120.25 3k4m s SER 616 Ca 0.76 1.61 -0.22 0.00 0.48 0.00 0.00 55.95 58.57 3k4m s SER 616 Cb -0.39 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.13 3k4m s SER 616 CO 0.45 -1.17 1.00 -2.16 0.98 0.00 0.00 173.24 172.34 3k4m s PRO 617 N -4.78 4.11 0.00 4.02 0.04 -1.26 -4.86 135.00 132.27 3k4m s PRO 617 Ca 0.58 1.32 0.19 0.00 0.04 0.00 0.00 61.00 63.13 3k4m s PRO 617 Cb -0.13 -2.30 0.15 0.00 0.04 0.00 0.00 34.50 32.26 3k4m s PRO 617 CO 0.49 -0.16 1.11 0.34 0.04 0.00 0.00 177.00 178.82