#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4n s TYR 47 N 0.00 2.11 -0.04 5.64 1.51 -0.88 -5.02 117.35 120.66 3k4n s TYR 47 Ca 0.00 -0.85 -0.26 0.00 -1.01 0.00 0.00 57.07 54.96 3k4n s TYR 47 Cb 0.00 -1.38 -0.21 0.00 -0.11 0.00 0.00 41.96 40.26 3k4n s TYR 47 CO 0.00 0.16 1.17 -0.44 -1.11 0.00 0.00 175.55 175.34 3k4n h ASP 48 N 2.05 0.05 -4.25 2.29 3.32 -1.74 -3.04 116.42 115.11 3k4n h ASP 48 Ca -0.41 -0.59 -0.48 0.00 0.02 0.00 0.00 57.03 55.56 3k4n h ASP 48 Cb 1.24 -0.02 -0.28 0.00 0.22 0.00 0.00 39.33 40.50 3k4n h ASP 48 CO 0.72 0.64 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.38 3k4n s VAL 49 N -3.84 1.15 -0.05 -1.35 1.01 -1.12 -0.07 120.40 116.13 3k4n s VAL 49 Ca -0.16 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3k4n s VAL 49 Cb 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3k4n s VAL 49 CO 0.69 0.22 -0.25 0.68 0.00 0.00 0.00 175.10 176.44 3k4n s VAL 50 N -0.52 2.06 -0.19 2.92 -7.23 -0.65 -1.43 120.40 115.38 3k4n s VAL 50 Ca 0.04 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3k4n s VAL 50 Cb -0.06 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 3k4n s VAL 50 CO 0.00 0.57 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.70 3k4n s ILE 51 N -0.22 3.66 -0.35 -0.62 1.01 0.32 -1.22 121.20 123.77 3k4n s ILE 51 Ca -0.02 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 3k4n s ILE 51 Cb -0.13 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 3k4n s ILE 51 CO 0.03 0.45 0.57 -0.69 0.00 0.00 0.00 174.94 175.30 3k4n s VAL 52 N 0.92 4.96 0.00 2.92 1.01 -0.63 -0.61 120.40 128.98 3k4n s VAL 52 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3k4n s VAL 52 Cb -0.15 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3k4n s VAL 52 CO 0.01 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3k4n n GLY 53 N 4.73 1.63 2.24 4.51 0.00 0.11 -0.37 105.19 118.04 3k4n n GLY 53 Ca -0.03 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 3k4n n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4n n SER 54 N 0.00 5.11 -2.19 1.61 3.41 -1.26 -4.16 113.62 116.14 3k4n n SER 54 Ca 0.00 -3.68 -0.01 0.00 -0.26 0.00 0.00 58.87 54.93 3k4n n SER 54 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 3k4n n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4n n GLY 55 N -1.07 -1.56 0.24 5.00 0.00 -1.26 -1.41 105.19 105.14 3k4n n GLY 55 Ca 0.60 -1.60 0.09 0.00 0.00 0.00 0.00 46.02 45.11 3k4n n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4n h PRO 56 N 0.00 0.00 0.13 1.61 0.13 -1.92 -0.27 132.00 131.68 3k4n h PRO 56 Ca -0.01 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 3k4n h PRO 56 Cb 0.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3k4n h PRO 56 CO 0.01 0.15 -1.70 0.82 -0.23 0.00 0.00 178.00 177.05 3k4n h ILE 57 N 0.00 0.86 -0.82 -3.56 1.08 -1.92 -1.14 117.51 112.01 3k4n h ILE 57 Ca -0.00 -2.40 0.17 0.00 -0.39 0.00 0.00 64.86 62.24 3k4n h ILE 57 Cb 0.31 2.62 -0.16 0.00 -3.07 0.00 0.00 36.82 36.53 3k4n h ILE 57 CO 0.02 0.79 -0.17 1.23 -0.69 0.00 0.00 178.15 179.33 3k4n h GLY 58 N 0.51 0.65 2.00 5.37 0.00 -1.70 -2.27 103.07 107.63 3k4n h GLY 58 Ca -0.36 0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3k4n h GLY 58 CO 0.08 -0.32 -0.40 0.00 0.00 0.00 0.00 176.54 175.91 3k4n h THR 60 N 0.00 1.00 -0.63 0.00 2.02 -0.66 0.11 112.91 114.74 3k4n h THR 60 Ca -0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3k4n h THR 60 Cb 1.14 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3k4n h THR 60 CO 0.05 0.01 0.38 1.88 0.37 0.00 0.00 175.52 178.21 3k4n h TYR 61 N -0.04 0.84 0.21 3.16 0.05 -1.29 -1.94 116.97 117.96 3k4n h TYR 61 Ca -0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3k4n h TYR 61 Cb 0.03 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.50 3k4n h TYR 61 CO -0.07 0.57 -0.10 0.00 -1.05 0.00 0.00 178.16 177.51 3k4n h ALA 62 N 1.19 -0.29 -0.23 3.88 0.00 -1.31 -1.70 119.26 120.81 3k4n h ALA 62 Ca 0.23 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3k4n h ALA 62 Cb -0.02 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3k4n h ALA 62 CO -0.04 -0.63 -0.34 -0.09 0.00 0.00 0.00 179.25 178.15 3k4n h ARG 63 N -0.36 -0.34 0.20 0.00 2.43 -0.49 0.51 114.38 116.33 3k4n h ARG 63 Ca -0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3k4n h ARG 63 Cb 0.27 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3k4n h ARG 63 CO 0.05 -0.23 -0.10 0.93 -1.51 0.00 0.00 179.97 179.11 3k4n h GLU 64 N -0.36 -0.26 -0.05 0.20 4.39 -1.38 -2.86 114.58 114.27 3k4n h GLU 64 Ca 0.12 0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.62 3k4n h GLU 64 Cb 0.55 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3k4n h GLU 64 CO -0.43 -0.17 -0.86 -0.07 -1.16 0.00 0.00 179.01 176.32 3k4n h LEU 65 N -0.29 0.64 -0.24 1.33 3.38 -1.11 -2.33 115.31 116.68 3k4n h LEU 65 Ca -0.03 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3k4n h LEU 65 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k4n h LEU 65 CO 0.05 1.25 0.06 0.58 0.09 0.00 0.00 178.44 180.47 3k4n h VAL 66 N 0.32 1.21 0.00 1.22 2.07 0.01 -0.98 116.25 120.10 3k4n h VAL 66 Ca -0.07 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3k4n h VAL 66 Cb 1.48 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3k4n h VAL 66 CO 0.16 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.57 3k4n n GLY 67 N -0.55 -0.93 1.71 2.17 0.00 -1.08 -2.17 105.19 104.33 3k4n n GLY 67 Ca -0.03 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3k4n n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n n ALA 68 N -0.92 3.65 -0.26 4.61 0.00 -0.42 -4.93 120.51 122.24 3k4n n ALA 68 Ca 0.19 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3k4n n ALA 68 Cb 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3k4n n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4n n GLY 69 N 0.54 1.57 3.77 0.00 0.00 -0.92 -4.82 105.19 105.31 3k4n n GLY 69 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3k4n n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4n s TYR 70 N -2.93 2.56 -0.52 1.61 1.51 -0.89 -4.75 117.35 113.94 3k4n s TYR 70 Ca 0.00 1.56 -0.18 0.00 -1.01 0.00 0.00 57.07 57.44 3k4n s TYR 70 Cb 0.00 -3.17 0.08 0.00 -0.11 0.00 0.00 41.96 38.76 3k4n s TYR 70 CO 0.00 -1.78 0.57 0.21 -1.11 0.00 0.00 175.55 173.44 3k4n s LYS 71 N -4.20 3.05 -0.19 -0.62 2.20 -1.26 -4.22 119.74 114.49 3k4n s LYS 71 Ca 0.67 -1.23 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 3k4n s LYS 71 Cb -0.21 -4.18 -0.04 0.00 -1.51 0.00 0.00 37.83 31.90 3k4n s LYS 71 CO 0.44 -1.27 0.07 0.08 -0.36 0.00 0.00 175.35 174.30 3k4n s VAL 72 N 2.26 4.75 -0.10 4.02 1.01 -0.90 -2.04 120.40 129.40 3k4n s VAL 72 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3k4n s VAL 72 Cb -0.23 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3k4n s VAL 72 CO 0.08 0.44 0.03 0.00 0.00 0.00 0.00 175.10 175.65 3k4n s ALA 73 N 0.55 3.40 -0.06 5.51 0.00 -0.51 -1.34 121.76 129.32 3k4n s ALA 73 Ca 0.03 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3k4n s ALA 73 Cb -0.13 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.41 3k4n s ALA 73 CO 0.01 0.57 -0.06 1.41 0.00 0.00 0.00 175.76 177.69 3k4n s MET 74 N -0.83 1.11 -0.01 0.00 1.75 0.13 -0.53 119.30 120.93 3k4n s MET 74 Ca 0.13 -0.17 0.03 0.00 -1.25 0.00 0.00 55.69 54.43 3k4n s MET 74 Cb -0.12 -1.10 -0.03 0.00 2.84 0.00 0.00 34.83 36.42 3k4n s MET 74 CO 0.03 -0.11 -0.09 -0.06 -0.65 0.00 0.00 175.02 174.13 3k4n s PHE 75 N 1.12 2.83 -0.00 4.11 0.08 0.22 0.09 117.98 126.43 3k4n s PHE 75 Ca -0.07 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3k4n s PHE 75 Cb -0.14 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 3k4n s PHE 75 CO -0.01 0.33 -0.04 0.34 -0.10 0.00 0.00 175.22 175.74 3k4n s ASP 76 N -1.26 0.50 0.24 1.36 -1.08 -0.89 0.10 116.67 115.64 3k4n s ASP 76 Ca 0.15 -0.09 -0.06 0.00 -0.52 0.00 0.00 52.55 52.04 3k4n s ASP 76 Cb -0.11 -0.05 0.26 0.00 -1.46 0.00 0.00 42.92 41.56 3k4n s ASP 76 CO 0.06 0.04 1.85 -0.29 0.52 0.00 0.00 175.17 177.35 3k4n h ILE 77 N 5.03 1.25 -3.87 4.11 2.10 -1.83 -1.98 117.51 122.32 3k4n h ILE 77 Ca -0.27 -0.66 -0.35 0.00 1.08 0.00 0.00 64.86 64.65 3k4n h ILE 77 Cb 1.20 0.15 0.12 0.00 -1.09 0.00 0.00 36.82 37.20 3k4n h ILE 77 CO 0.50 0.29 0.28 0.61 -1.08 0.00 0.00 178.15 178.75 3k4n n GLY 78 N -1.09 -0.92 3.75 8.18 0.00 -1.26 -3.21 105.19 110.63 3k4n n GLY 78 Ca 0.08 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 3k4n n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4n s GLU 79 N -5.14 2.22 -0.20 1.61 2.02 -1.26 -2.02 118.70 115.92 3k4n s GLU 79 Ca 0.59 -1.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.38 3k4n s GLU 79 Cb -0.02 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 3k4n s GLU 79 CO 0.41 -0.17 1.33 0.42 0.02 0.00 0.00 175.26 177.26 3k4n s ILE 80 N -2.63 4.15 -0.05 -1.63 1.01 -1.26 -0.74 121.20 120.05 3k4n s ILE 80 Ca 0.38 1.36 0.25 0.00 0.00 0.00 0.00 60.65 62.64 3k4n s ILE 80 Cb 0.03 -3.99 0.45 0.00 0.01 0.00 0.00 42.46 38.96 3k4n s ILE 80 CO 0.21 -0.25 1.16 -0.67 0.00 0.00 0.00 174.94 175.39 3k4n n ASP 81 N 7.10 1.12 -0.50 3.58 2.03 -1.26 -4.86 116.55 123.76 3k4n n ASP 81 Ca 0.15 -2.02 -0.00 0.00 0.52 0.00 0.00 54.79 53.44 3k4n n ASP 81 Cb 0.45 -0.34 -0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3k4n n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3k4n n SER 82 N 0.28 -0.00 -0.16 1.67 7.64 -1.26 -4.98 113.62 116.81 3k4n n SER 82 Ca 0.06 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3k4n n SER 82 Cb 1.08 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 3k4n n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4n n GLY 83 N 0.00 -0.74 0.07 0.23 0.00 -1.26 -4.36 105.19 99.13 3k4n n GLY 83 Ca -0.00 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.01 3k4n n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k4n n LEU 84 N 0.00 0.44 -4.49 0.99 4.77 -1.26 -4.24 117.00 113.21 3k4n n LEU 84 Ca 0.00 0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 56.12 3k4n n LEU 84 Cb 0.00 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 3k4n n LEU 84 CO 0.00 -0.28 0.17 -0.54 -1.33 0.00 0.00 177.39 175.41 3k4n s LYS 85 N -3.13 3.16 0.25 3.23 1.02 -1.26 -5.05 119.74 117.96 3k4n s LYS 85 Ca 0.09 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 3k4n s LYS 85 Cb 0.12 -3.95 -0.09 0.00 -0.52 0.00 0.00 37.83 33.39 3k4n s LYS 85 CO 0.45 -0.87 1.17 0.42 -0.92 0.00 0.00 175.35 175.60 3k4n s ILE 86 N 2.29 3.40 0.00 2.17 1.01 -1.26 -2.92 121.20 125.88 3k4n s ILE 86 Ca 0.14 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3k4n s ILE 86 Cb -0.16 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3k4n s ILE 86 CO 0.15 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3k4n n GLY 87 N 1.55 0.44 3.80 6.18 0.00 -1.25 -4.22 105.19 111.69 3k4n n GLY 87 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3k4n n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n s ALA 88 N -2.09 2.54 0.06 4.61 0.00 -1.15 -3.14 121.76 122.60 3k4n s ALA 88 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 3k4n s ALA 88 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 3k4n s ALA 88 CO 0.00 -1.40 1.40 -1.58 0.00 0.00 0.00 175.76 174.18 3k4n s HIS 89 N -3.00 3.04 0.02 0.00 2.46 -1.26 -4.51 115.29 112.04 3k4n s HIS 89 Ca 0.59 0.87 0.32 0.00 0.47 0.00 0.00 55.06 57.32 3k4n s HIS 89 Cb -0.15 -3.68 1.36 0.00 -0.13 0.00 0.00 32.58 29.98 3k4n s HIS 89 CO 0.55 -2.45 1.95 0.87 -2.47 0.00 0.00 174.74 173.19 3k4n h LYS 90 N 7.31 0.00 -0.01 2.88 1.57 -0.74 -2.71 116.57 124.87 3k4n h LYS 90 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3k4n h LYS 90 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3k4n h LYS 90 CO 0.88 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.93 3k4n n LYS 91 N -2.90 1.17 -0.91 3.15 4.81 -1.26 -4.21 118.16 118.01 3k4n n LYS 91 Ca 0.01 -0.25 -0.15 0.00 -0.87 0.00 0.00 58.31 57.04 3k4n n LYS 91 Cb 0.27 -1.48 0.01 0.00 0.02 0.00 0.00 35.03 33.86 3k4n n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4n n ASN 92 N -0.68 6.28 -4.36 3.14 3.02 -1.02 -4.42 115.26 117.22 3k4n n ASN 92 Ca 0.22 -2.97 -0.26 0.00 -0.03 0.00 0.00 54.58 51.54 3k4n n ASN 92 Cb 0.17 -1.10 -0.12 0.00 -0.61 0.00 0.00 39.78 38.12 3k4n n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4n s THR 93 N -1.86 2.07 0.40 3.41 -4.23 -1.26 -5.01 115.64 109.17 3k4n s THR 93 Ca 0.31 -1.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.09 3k4n s THR 93 Cb 0.23 -1.89 0.25 0.00 1.34 0.00 0.00 72.50 72.42 3k4n s THR 93 CO -0.03 -0.06 2.03 0.58 -0.54 0.00 0.00 174.62 176.60 3k4n h VAL 94 N 3.66 1.12 -0.81 2.29 2.07 -1.97 0.20 116.25 122.82 3k4n h VAL 94 Ca -0.47 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3k4n h VAL 94 Cb 1.19 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3k4n h VAL 94 CO 0.43 0.13 0.41 -0.08 0.02 0.00 0.00 177.57 178.48 3k4n h GLU 95 N 0.52 1.14 0.11 1.57 4.57 -1.96 -2.13 114.58 118.40 3k4n h GLU 95 Ca 0.14 -0.15 -0.29 0.00 -1.18 0.00 0.00 59.36 57.87 3k4n h GLU 95 Cb 0.01 -0.21 0.03 0.00 -0.16 0.00 0.00 28.75 28.41 3k4n h GLU 95 CO -0.02 0.87 -1.22 1.88 -1.18 0.00 0.00 179.01 179.33 3k4n h TYR 96 N 1.13 0.98 0.00 0.92 0.05 -1.32 -1.17 116.97 117.56 3k4n h TYR 96 Ca 0.28 -0.61 0.00 0.00 0.05 0.00 0.00 58.73 58.45 3k4n h TYR 96 Cb 0.08 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3k4n h TYR 96 CO 0.01 1.45 0.00 1.96 -1.05 0.00 0.00 178.16 180.53 3k4n h GLN 97 N 0.28 0.00 0.00 4.88 4.20 -1.05 0.21 115.11 123.63 3k4n h GLN 97 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3k4n h GLN 97 Cb 1.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.67 3k4n h GLN 97 CO 0.23 0.00 -0.79 0.87 -0.67 0.00 0.00 178.83 178.47 3k4n h LYS 98 N 0.00 0.00 -0.89 1.46 1.57 -1.27 -3.41 116.57 114.03 3k4n h LYS 98 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3k4n h LYS 98 Cb 0.37 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.28 3k4n h LYS 98 CO 0.00 0.00 -1.09 0.09 -0.57 0.00 0.00 179.45 177.88 3k4n n ASN 99 N -2.54 2.13 -0.31 0.86 3.02 0.22 -4.98 115.26 113.67 3k4n n ASN 99 Ca 0.01 -2.72 0.06 0.00 -0.03 0.00 0.00 54.58 51.91 3k4n n ASN 99 Cb 0.51 -0.49 0.27 0.00 -0.61 0.00 0.00 39.78 39.45 3k4n n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4n h ILE 100 N 3.62 0.98 -1.05 2.41 -0.00 -0.94 0.14 117.51 122.68 3k4n h ILE 100 Ca -0.03 -0.33 0.27 0.00 -0.00 0.00 0.00 64.86 64.78 3k4n h ILE 100 Cb 1.20 -0.06 -0.10 0.00 -0.00 0.00 0.00 36.82 37.86 3k4n h ILE 100 CO 0.47 0.17 0.67 -2.24 -0.00 0.00 0.00 178.15 177.23 3k4n h ASP 101 N 0.96 0.44 0.33 2.19 -0.00 -1.85 0.15 116.42 118.65 3k4n h ASP 101 Ca 0.43 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.55 3k4n h ASP 101 Cb 0.37 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 3k4n h ASP 101 CO -0.19 0.07 0.00 0.29 -0.00 0.00 0.00 179.24 179.41 3k4n n LYS 102 N -4.64 0.06 0.14 4.15 4.76 0.51 -3.24 118.16 119.89 3k4n n LYS 102 Ca 0.26 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 3k4n n LYS 102 Cb 0.90 -1.63 0.13 0.00 -1.84 0.00 0.00 35.03 32.59 3k4n n LYS 102 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3k4n h PHE 103 N 0.00 0.00 -0.84 2.13 3.57 -0.81 -3.05 116.94 117.93 3k4n h PHE 103 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 3k4n h PHE 103 Cb 0.17 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 3k4n h PHE 103 CO 0.00 0.61 0.40 -0.24 -2.23 0.00 0.00 178.31 176.85 3k4n h VAL 104 N 0.00 0.64 -0.97 1.41 3.04 -1.74 0.26 116.25 118.89 3k4n h VAL 104 Ca -0.01 -0.18 0.17 0.00 -1.01 0.00 0.00 66.70 65.67 3k4n h VAL 104 Cb 1.23 0.07 -0.09 0.00 -2.01 0.00 0.00 31.29 30.49 3k4n h VAL 104 CO 0.08 0.10 0.61 0.78 -1.01 0.00 0.00 177.57 178.13 3k4n h ASN 105 N 0.53 0.75 -0.24 3.17 4.21 -1.78 -1.74 115.58 120.47 3k4n h ASN 105 Ca 0.48 0.07 -0.15 0.00 1.21 0.00 0.00 56.30 57.90 3k4n h ASN 105 Cb 0.76 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 3k4n h ASN 105 CO -0.42 0.33 -0.41 0.58 -1.29 0.00 0.00 177.43 176.22 3k4n h VAL 106 N 0.76 1.28 0.15 2.81 2.07 -0.65 -2.16 116.25 120.51 3k4n h VAL 106 Ca 0.52 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3k4n h VAL 106 Cb 0.80 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3k4n h VAL 106 CO -0.29 0.52 -0.21 0.40 0.02 0.00 0.00 177.57 178.01 3k4n h ILE 107 N 0.64 0.54 0.00 4.57 2.04 -1.02 -2.44 117.51 121.83 3k4n h ILE 107 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3k4n h ILE 107 Cb 0.97 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3k4n h ILE 107 CO 0.09 0.00 -0.09 1.56 0.00 0.00 0.00 178.15 179.71 3k4n h GLN 108 N -0.41 0.00 -0.14 2.37 4.20 -1.34 0.32 115.11 120.10 3k4n h GLN 108 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3k4n h GLN 108 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3k4n h GLN 108 CO -0.09 0.09 0.05 0.78 -0.67 0.00 0.00 178.83 178.99 3k4n h GLY 109 N 0.76 0.21 -2.05 3.46 0.00 -0.89 -3.25 103.07 101.31 3k4n h GLY 109 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3k4n h GLY 109 CO 0.01 0.08 -0.67 0.61 0.00 0.00 0.00 176.54 176.58 3k4n n GLN 110 N -4.47 1.80 -3.91 4.80 10.64 0.07 -4.86 117.38 121.45 3k4n n GLN 110 Ca -0.01 -3.32 -0.33 0.00 -1.83 0.00 0.00 57.00 51.51 3k4n n GLN 110 Cb 0.12 -1.54 -0.13 0.00 -0.86 0.00 0.00 30.24 27.83 3k4n n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4n s LEU 111 N -2.90 4.93 -0.23 2.61 1.43 -1.00 -3.94 118.68 119.58 3k4n s LEU 111 Ca 0.40 -2.24 -0.13 0.00 -1.03 0.00 0.00 54.13 51.12 3k4n s LEU 111 Cb 0.38 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 3k4n s LEU 111 CO -0.06 -0.42 0.27 -0.04 0.23 0.00 0.00 176.35 176.32 3k4n s MET 112 N 0.81 4.09 0.34 1.70 -1.94 0.28 -4.82 119.30 119.76 3k4n s MET 112 Ca 0.11 -0.08 -0.29 0.00 -1.71 0.00 0.00 55.69 53.72 3k4n s MET 112 Cb -0.21 -3.56 -0.11 0.00 2.01 0.00 0.00 34.83 32.96 3k4n s MET 112 CO -0.06 -0.02 1.46 -1.12 -0.01 0.00 0.00 175.02 175.27 3k4n s SER 113 N 1.15 6.47 -0.01 3.03 0.01 -1.26 -0.58 113.70 122.51 3k4n s SER 113 Ca 0.12 2.92 -0.23 0.00 1.31 0.00 0.00 55.95 60.07 3k4n s SER 113 Cb -0.14 -2.65 -0.15 0.00 0.21 0.00 0.00 66.02 63.28 3k4n s SER 113 CO 0.07 -0.79 1.06 0.58 0.41 0.00 0.00 173.24 174.57 3k4n h VAL 114 N 3.11 0.50 -3.23 3.43 2.07 -1.41 -3.46 116.25 117.26 3k4n h VAL 114 Ca -0.49 -0.64 -0.45 0.00 0.82 0.00 0.00 66.70 65.94 3k4n h VAL 114 Cb 1.23 0.76 -0.39 0.00 -1.52 0.00 0.00 31.29 31.36 3k4n h VAL 114 CO 0.68 0.10 -0.76 -0.55 0.02 0.00 0.00 177.57 177.06 3k4n s SER 115 N -5.02 1.96 -0.23 0.57 0.15 -1.26 -4.77 113.70 105.11 3k4n s SER 115 Ca -0.13 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 3k4n s SER 115 Cb 0.02 -0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 3k4n s SER 115 CO 0.47 -0.26 -0.02 -0.69 1.20 0.00 0.00 173.24 173.93 3k4n s VAL 116 N 2.01 3.53 0.88 4.45 1.01 -1.26 -4.63 120.40 126.39 3k4n s VAL 116 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3k4n s VAL 116 Cb -0.14 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.74 3k4n s VAL 116 CO -0.06 0.41 1.09 -2.16 0.00 0.00 0.00 175.10 174.38 3k4n s PRO 117 N 1.50 1.40 -0.19 2.72 0.04 -1.26 0.56 135.00 139.78 3k4n s PRO 117 Ca 0.06 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 3k4n s PRO 117 Cb -0.14 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3k4n s PRO 117 CO -0.02 -2.19 1.97 0.08 0.04 0.00 0.00 177.00 176.88 3k4n s VAL 118 N -2.87 3.24 -0.05 -0.36 1.01 -1.26 -4.61 120.40 115.50 3k4n s VAL 118 Ca 0.63 0.26 -0.39 0.00 0.00 0.00 0.00 61.98 62.49 3k4n s VAL 118 Cb -0.19 -3.27 -0.18 0.00 0.00 0.00 0.00 36.38 32.74 3k4n s VAL 118 CO 0.57 -0.14 1.38 -3.20 0.00 0.00 0.00 175.10 173.71 3k4n n ASN 119 N 10.00 1.39 -0.89 3.32 2.85 -1.26 -4.96 115.26 125.71 3k4n n ASN 119 Ca 0.24 1.13 0.04 0.00 -0.11 0.00 0.00 54.58 55.88 3k4n n ASN 119 Cb 0.45 -1.09 0.16 0.00 1.24 0.00 0.00 39.78 40.53 3k4n n ASN 119 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3k4n n THR 120 N 2.83 1.68 -2.19 -0.44 -2.24 -1.26 -4.88 114.28 107.78 3k4n n THR 120 Ca 0.21 -2.74 -0.40 0.00 -2.27 0.00 0.00 64.05 58.85 3k4n n THR 120 Cb 0.13 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3k4n n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4n s LEU 121 N -2.48 4.37 -0.44 3.22 1.43 -1.26 -5.00 118.68 118.53 3k4n s LEU 121 Ca 0.37 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 55.89 3k4n s LEU 121 Cb 0.38 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.89 3k4n s LEU 121 CO -0.09 -0.55 0.34 -0.69 0.23 0.00 0.00 176.35 175.59 3k4n s VAL 122 N -1.21 5.18 -0.47 -1.59 1.01 -1.26 -5.03 120.40 117.03 3k4n s VAL 122 Ca 0.51 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 3k4n s VAL 122 Cb -0.37 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.08 3k4n s VAL 122 CO 0.48 -0.44 0.44 -0.69 0.00 0.00 0.00 175.10 174.88 3k4n s VAL 123 N 1.65 5.15 -0.14 2.92 1.01 -1.26 -4.94 120.40 124.78 3k4n s VAL 123 Ca 0.04 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.26 3k4n s VAL 123 Cb -0.22 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.19 3k4n s VAL 123 CO 0.08 -0.59 1.11 -0.90 0.00 0.00 0.00 175.10 174.79 3k4n n ASP 124 N 5.44 2.34 -1.90 3.32 5.68 -1.26 -4.60 116.55 125.56 3k4n n ASP 124 Ca -0.11 -2.45 -0.09 0.00 -0.50 0.00 0.00 54.79 51.64 3k4n n ASP 124 Cb 0.45 -0.21 0.26 0.00 -1.14 0.00 0.00 41.12 40.48 3k4n n ASP 124 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k4n n THR 125 N -0.74 2.93 -2.53 2.12 -2.24 -1.26 -5.01 114.28 107.54 3k4n n THR 125 Ca 0.08 -1.84 -0.33 0.00 -2.27 0.00 0.00 64.05 59.69 3k4n n THR 125 Cb 0.45 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3k4n n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4n s LEU 126 N -3.09 3.80 0.43 3.22 1.43 -1.26 -5.01 118.68 118.21 3k4n s LEU 126 Ca 0.54 1.82 -0.25 0.00 -1.03 0.00 0.00 54.13 55.21 3k4n s LEU 126 Cb 0.44 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 3k4n s LEU 126 CO 0.11 -0.71 1.31 -0.55 0.23 0.00 0.00 176.35 176.74 3k4n s SER 127 N -2.24 6.12 0.41 2.29 0.15 -1.26 -4.87 113.70 114.30 3k4n s SER 127 Ca 0.65 2.67 0.20 0.00 0.70 0.00 0.00 55.95 60.16 3k4n s SER 127 Cb -0.14 -2.64 1.07 0.00 -1.71 0.00 0.00 66.02 62.61 3k4n s SER 127 CO 0.21 -0.98 1.55 -0.65 1.20 0.00 0.00 173.24 174.57 3k4n h PRO 128 N 2.43 0.00 -0.00 5.44 0.11 -2.00 -1.73 132.00 136.25 3k4n h PRO 128 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k4n h PRO 128 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k4n h PRO 128 CO 0.62 0.00 -0.28 0.25 -0.21 0.00 0.00 178.00 178.37 3k4n n THR 129 N -2.31 0.00 -2.99 -1.15 -2.24 -1.26 -4.93 114.28 99.39 3k4n n THR 129 Ca -0.01 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 3k4n n THR 129 Cb 0.26 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 3k4n n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k4n s SER 130 N -2.73 6.71 -0.06 3.42 0.01 -0.65 -5.02 113.70 115.39 3k4n s SER 130 Ca 0.19 1.29 -0.30 0.00 1.31 0.00 0.00 55.95 58.45 3k4n s SER 130 Cb 0.19 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3k4n s SER 130 CO 0.57 -0.29 1.36 0.86 0.41 0.00 0.00 173.24 176.15 3k4n s TRP 131 N -2.14 2.81 -0.08 2.43 -0.00 -1.26 -4.95 118.94 115.75 3k4n s TRP 131 Ca 0.54 0.87 0.01 0.00 -0.00 0.00 0.00 56.10 57.53 3k4n s TRP 131 Cb -0.10 -3.60 0.02 0.00 -0.00 0.00 0.00 33.47 29.78 3k4n s TRP 131 CO 0.21 -2.20 -0.10 -0.65 -0.00 0.00 0.00 176.95 174.21 3k4n s GLN 132 N 2.85 1.58 0.98 5.86 -1.52 -1.26 -5.13 119.66 123.01 3k4n s GLN 132 Ca 0.61 -0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 53.57 3k4n s GLN 132 Cb -0.28 -1.41 0.19 0.00 -0.22 0.00 0.00 33.01 31.28 3k4n s GLN 132 CO 0.23 -0.07 1.12 0.00 -0.25 0.00 0.00 175.29 176.31 3k4n s ALA 133 N 1.00 0.92 -2.13 6.09 0.00 -1.26 -4.94 121.76 121.44 3k4n s ALA 133 Ca -0.08 0.42 0.18 0.00 0.00 0.00 0.00 51.96 52.48 3k4n s ALA 133 Cb -0.15 -3.41 0.21 0.00 0.00 0.00 0.00 23.12 19.77 3k4n s ALA 133 CO -0.00 -3.09 1.13 0.43 0.00 0.00 0.00 175.76 174.23 3k4n n SER 134 N -4.45 2.68 -4.16 0.00 7.64 -1.26 -4.97 113.62 109.11 3k4n n SER 134 Ca 0.10 -1.80 -0.10 0.00 1.01 0.00 0.00 58.87 58.08 3k4n n SER 134 Cb 0.53 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 3k4n n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4n s THR 135 N -1.42 0.43 -1.13 0.44 -4.23 -1.26 -5.07 115.64 103.39 3k4n s THR 135 Ca 0.24 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.70 3k4n s THR 135 Cb 0.16 -1.84 0.18 0.00 1.34 0.00 0.00 72.50 72.34 3k4n s THR 135 CO 0.23 -0.71 1.31 -0.36 -0.54 0.00 0.00 174.62 174.55 3k4n s PHE 136 N -3.81 3.57 0.66 3.99 0.08 -1.26 -5.04 117.98 116.17 3k4n s PHE 136 Ca 0.17 -2.09 -0.12 0.00 0.12 0.00 0.00 56.93 55.00 3k4n s PHE 136 Cb 0.07 -4.22 -0.01 0.00 -0.57 0.00 0.00 43.02 38.29 3k4n s PHE 136 CO -0.02 -1.33 1.05 -0.59 -0.10 0.00 0.00 175.22 174.23 3k4n s PHE 137 N 1.28 3.13 -0.13 0.36 -0.71 -1.26 -4.94 117.98 115.71 3k4n s PHE 137 Ca 0.38 1.43 -0.31 0.00 -1.04 0.00 0.00 56.93 57.40 3k4n s PHE 137 Cb -0.04 -2.89 -0.09 0.00 -1.21 0.00 0.00 43.02 38.78 3k4n s PHE 137 CO -0.03 -1.14 2.06 0.28 -1.34 0.00 0.00 175.22 175.05 3k4n n VAL 138 N -2.81 0.52 -4.06 -2.49 0.31 -1.26 -4.91 118.33 103.63 3k4n n VAL 138 Ca 0.08 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 3k4n n VAL 138 Cb 0.53 -2.20 -0.06 0.00 -0.91 0.00 0.00 33.84 31.20 3k4n n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k4n s ARG 139 N 5.18 1.51 -0.97 5.55 1.70 -1.26 -4.89 118.95 125.77 3k4n s ARG 139 Ca 0.96 -1.39 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 3k4n s ARG 139 Cb -0.53 0.42 0.03 0.00 -0.57 0.00 0.00 34.95 34.31 3k4n s ARG 139 CO 0.43 -0.60 0.08 0.09 -1.08 0.00 0.00 175.30 174.22 3k4n n ASN 140 N -0.47 0.22 0.00 -2.89 3.02 -1.26 -1.97 115.26 111.91 3k4n n ASN 140 Ca -0.00 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3k4n n ASN 140 Cb 0.63 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3k4n n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4n n GLY 141 N -1.71 0.25 3.61 7.41 0.00 -1.26 -4.99 105.19 108.50 3k4n n GLY 141 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3k4n n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4n n SER 142 N -0.41 0.08 -4.32 1.61 3.41 -0.83 -4.84 113.62 108.32 3k4n n SER 142 Ca 0.00 0.51 -0.46 0.00 -0.26 0.00 0.00 58.87 58.66 3k4n n SER 142 Cb 0.20 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 62.69 3k4n n SER 142 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3k4n s ASN 143 N -2.14 6.31 0.00 4.04 2.47 0.19 -4.75 114.94 121.06 3k4n s ASN 143 Ca 0.68 -1.95 0.09 0.00 0.42 0.00 0.00 52.86 52.11 3k4n s ASN 143 Cb -0.27 -2.22 0.53 0.00 -1.45 0.00 0.00 41.25 37.84 3k4n s ASN 143 CO 0.56 -0.82 1.06 -0.81 -3.72 0.00 0.00 177.10 173.37 3k4n n PRO 144 N 5.08 0.24 0.21 0.43 -0.04 -1.26 0.27 135.00 139.93 3k4n n PRO 144 Ca -0.08 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 3k4n n PRO 144 Cb 0.42 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.60 3k4n n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4n h GLU 145 N 0.00 0.00 -6.32 0.54 4.39 -1.96 -3.48 114.58 107.75 3k4n h GLU 145 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 3k4n h GLU 145 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3k4n h GLU 145 CO 0.00 0.00 0.60 -1.14 -1.16 0.00 0.00 179.01 177.31 3k4n s GLN 146 N -3.22 4.41 -0.34 2.33 2.00 0.14 -4.95 119.66 120.03 3k4n s GLN 146 Ca 0.07 1.55 -0.29 0.00 -2.00 0.00 0.00 55.36 54.69 3k4n s GLN 146 Cb 0.06 -3.52 0.02 0.00 0.80 0.00 0.00 33.01 30.37 3k4n s GLN 146 CO 0.65 -0.33 1.07 0.34 -0.50 0.00 0.00 175.29 176.52 3k4n s ASP 147 N 1.24 6.87 0.62 6.67 -1.08 -1.26 -4.72 116.67 125.01 3k4n s ASP 147 Ca 0.53 0.94 0.36 0.00 -0.52 0.00 0.00 52.55 53.86 3k4n s ASP 147 Cb -0.22 -2.54 2.06 0.00 -1.46 0.00 0.00 42.92 40.76 3k4n s ASP 147 CO 0.22 -0.92 2.29 1.55 0.52 0.00 0.00 175.17 178.83 3k4n h PRO 148 N 8.26 0.00 -0.01 4.34 0.13 -1.96 -2.58 132.00 140.18 3k4n h PRO 148 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3k4n h PRO 148 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3k4n h PRO 148 CO 1.04 0.01 -0.49 1.28 -0.23 0.00 0.00 178.00 179.61 3k4n n LEU 149 N -3.50 1.51 -2.57 1.56 4.77 -1.26 -4.12 117.00 113.39 3k4n n LEU 149 Ca -0.03 -0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 55.22 3k4n n LEU 149 Cb 0.09 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3k4n n LEU 149 CO 0.24 0.29 0.06 0.54 -1.33 0.00 0.00 177.39 177.19 3k4n n ARG 150 N -0.50 2.45 -3.21 3.23 1.74 -0.98 -4.97 116.66 114.43 3k4n n ARG 150 Ca 0.09 -3.98 -0.19 0.00 -0.77 0.00 0.00 57.85 53.01 3k4n n ARG 150 Cb 0.41 -1.82 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 3k4n n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4n s ASN 151 N -3.35 5.40 -0.70 0.55 2.47 -1.19 -1.47 114.94 116.65 3k4n s ASN 151 Ca 0.39 -0.57 0.03 0.00 0.42 0.00 0.00 52.86 53.13 3k4n s ASN 151 Cb 0.42 -0.55 0.33 0.00 -1.45 0.00 0.00 41.25 40.00 3k4n s ASN 151 CO -0.09 -0.77 1.15 0.18 -3.72 0.00 0.00 177.10 173.85 3k4n n LEU 152 N -1.77 5.15 -0.31 3.21 4.77 -1.26 -4.69 117.00 122.10 3k4n n LEU 152 Ca 0.07 -5.59 0.18 0.00 -0.03 0.00 0.00 56.01 50.64 3k4n n LEU 152 Cb 0.60 -0.73 0.34 0.00 -2.33 0.00 0.00 43.42 41.30 3k4n n LEU 152 CO 0.40 2.24 0.78 -1.54 -1.33 0.00 0.00 177.39 177.95 3k4n n SER 153 N -0.07 0.01 0.26 -1.43 3.41 -1.16 0.10 113.62 114.74 3k4n n SER 153 Ca 0.34 1.53 0.11 0.00 -0.26 0.00 0.00 58.87 60.59 3k4n n SER 153 Cb 0.36 -0.60 0.70 0.00 -0.26 0.00 0.00 64.21 64.41 3k4n n SER 153 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3k4n h GLY 154 N 0.00 0.00 -4.41 5.00 0.00 -0.62 -3.45 103.07 99.59 3k4n h GLY 154 Ca 0.61 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.38 3k4n h GLY 154 CO -0.81 0.00 0.73 -1.06 0.00 0.00 0.00 176.54 175.40 3k4n n GLN 155 N -3.99 2.38 -4.07 4.80 1.13 0.29 -3.59 117.38 114.33 3k4n n GLN 155 Ca -0.02 0.84 -0.10 0.00 -1.94 0.00 0.00 57.00 55.78 3k4n n GLN 155 Cb 0.18 -2.55 -0.07 0.00 0.11 0.00 0.00 30.24 27.91 3k4n n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k4n s ALA 156 N -0.21 0.22 0.18 -1.58 0.00 -1.26 -1.09 121.76 118.02 3k4n s ALA 156 Ca 0.64 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 3k4n s ALA 156 Cb -0.56 1.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 3k4n s ALA 156 CO 0.51 -0.77 0.17 0.14 0.00 0.00 0.00 175.76 175.81 3k4n s VAL 157 N -4.06 0.04 -0.11 0.00 -7.23 0.25 -4.76 120.40 104.52 3k4n s VAL 157 Ca 0.28 -1.81 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3k4n s VAL 157 Cb 0.02 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3k4n s VAL 157 CO 0.10 -0.20 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.71 3k4n s THR 158 N -4.08 1.08 -0.46 5.32 2.01 -1.25 -0.56 115.64 117.70 3k4n s THR 158 Ca 0.29 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 3k4n s THR 158 Cb 0.06 -1.08 0.12 0.00 0.01 0.00 0.00 72.50 71.61 3k4n s THR 158 CO 0.06 0.37 0.26 -0.13 -0.69 0.00 0.00 174.62 174.50 3k4n s ARG 159 N 1.63 2.12 -0.27 4.92 0.52 -1.26 -4.63 118.95 121.98 3k4n s ARG 159 Ca 0.04 -2.01 -0.22 0.00 -0.52 0.00 0.00 55.73 53.02 3k4n s ARG 159 Cb -0.13 -3.61 0.07 0.00 0.52 0.00 0.00 34.95 31.81 3k4n s ARG 159 CO -0.08 -1.10 0.70 0.14 0.02 0.00 0.00 175.30 174.99 3k4n s VAL 160 N 0.82 -0.00 -0.26 3.52 -7.23 -1.26 -4.37 120.40 111.62 3k4n s VAL 160 Ca 0.11 0.00 -0.41 0.00 -1.81 0.00 0.00 61.98 59.86 3k4n s VAL 160 Cb -0.22 -0.99 -0.17 0.00 0.56 0.00 0.00 36.38 35.56 3k4n s VAL 160 CO -0.04 0.00 1.59 0.52 -0.31 0.00 0.00 175.10 176.86 3k4n n VAL 161 N 3.15 0.15 0.00 1.32 0.31 0.08 -0.11 118.33 123.23 3k4n n VAL 161 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3k4n n VAL 161 Cb 0.56 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 3k4n n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k4n n GLY 162 N 3.65 1.56 7.00 2.92 0.00 -0.50 -3.94 105.19 115.89 3k4n n GLY 162 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3k4n n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4n n GLY 163 N -1.68 0.91 0.01 -0.02 0.00 0.84 -1.91 105.19 103.35 3k4n n GLY 163 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.20 3k4n n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4n n MET 164 N -0.01 0.01 0.00 1.61 2.81 -1.26 -1.56 117.12 118.72 3k4n n MET 164 Ca 0.00 0.48 0.08 0.00 -1.81 0.00 0.00 57.70 56.45 3k4n n MET 164 Cb 0.00 -1.54 0.45 0.00 -0.71 0.00 0.00 33.22 31.42 3k4n n MET 164 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k4n n SER 165 N -1.56 0.00 -0.03 7.83 3.41 -0.80 -2.06 113.62 120.41 3k4n n SER 165 Ca 0.00 -0.21 0.14 0.00 -0.26 0.00 0.00 58.87 58.54 3k4n n SER 165 Cb 0.03 -0.16 0.57 0.00 -0.26 0.00 0.00 64.21 64.39 3k4n n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4n n THR 166 N -1.16 0.00 -0.25 6.66 -2.24 -0.60 -4.24 114.28 112.45 3k4n n THR 166 Ca 0.10 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3k4n n THR 166 Cb 0.10 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3k4n n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4n n HIS 167 N -1.34 0.00 -1.21 4.78 -0.00 -0.88 -0.01 115.22 116.56 3k4n n HIS 167 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.52 3k4n n HIS 167 Cb 0.31 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.44 3k4n n HIS 167 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 3k4n s TRP 168 N -0.07 2.30 -0.32 -1.40 1.48 -0.88 -4.94 118.94 115.12 3k4n s TRP 168 Ca 0.00 1.22 0.23 0.00 -1.06 0.00 0.00 56.10 56.49 3k4n s TRP 168 Cb 0.00 -3.17 0.14 0.00 -1.16 0.00 0.00 33.47 29.27 3k4n s TRP 168 CO 0.00 -2.44 1.27 1.15 -4.06 0.00 0.00 176.95 172.87 3k4n h THR 169 N -1.58 0.00 0.00 0.66 2.02 -1.97 -3.48 112.91 108.57 3k4n h THR 169 Ca -0.50 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 65.68 3k4n h THR 169 Cb 1.29 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3k4n h THR 169 CO 0.55 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.44 3k4n s ALA 171 N -2.00 2.78 -0.65 0.00 0.00 -1.26 -1.27 121.76 119.36 3k4n s ALA 171 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3k4n s ALA 171 Cb 0.00 -4.05 0.21 0.00 0.00 0.00 0.00 23.12 19.28 3k4n s ALA 171 CO 0.00 -2.76 0.60 0.25 0.00 0.00 0.00 175.76 173.85 3k4n n THR 172 N 7.47 1.72 -2.32 0.00 -2.24 -0.97 -4.75 114.28 113.19 3k4n n THR 172 Ca 0.24 -4.92 -0.25 0.00 -2.27 0.00 0.00 64.05 56.86 3k4n n THR 172 Cb 0.47 -2.11 0.07 0.00 -2.10 0.00 0.00 70.33 66.65 3k4n n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4n s PRO 173 N -1.82 2.17 0.34 -0.78 0.04 -1.26 -4.72 135.00 128.96 3k4n s PRO 173 Ca 0.32 -0.45 0.07 0.00 0.04 0.00 0.00 61.00 60.98 3k4n s PRO 173 Cb 0.05 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3k4n s PRO 173 CO -0.10 -1.19 0.35 1.03 0.04 0.00 0.00 177.00 177.14 3k4n s ARG 174 N -5.16 2.86 0.01 4.56 0.52 -1.26 -4.73 118.95 115.76 3k4n s ARG 174 Ca 0.61 -1.20 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 3k4n s ARG 174 Cb -0.10 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 3k4n s ARG 174 CO 0.44 0.08 0.28 -0.06 0.02 0.00 0.00 175.30 176.06 3k4n s PHE 175 N -2.26 3.58 0.80 -0.53 0.40 -1.26 -4.99 117.98 113.72 3k4n s PHE 175 Ca 0.42 0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 57.25 3k4n s PHE 175 Cb -0.07 -2.01 0.18 0.00 0.51 0.00 0.00 43.02 41.63 3k4n s PHE 175 CO 0.28 0.60 1.09 -0.40 0.70 0.00 0.00 175.22 177.50 3k4n n ASP 176 N 1.10 0.53 -0.23 1.36 5.75 -1.26 -4.89 116.55 118.91 3k4n n ASP 176 Ca -0.11 -1.67 0.13 0.00 -0.01 0.00 0.00 54.79 53.14 3k4n n ASP 176 Cb 0.53 -0.79 0.42 0.00 -1.03 0.00 0.00 41.12 40.25 3k4n n ASP 176 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3k4n h ARG 177 N 0.00 0.57 0.00 0.11 2.47 -1.99 -2.64 114.38 112.91 3k4n h ARG 177 Ca -0.36 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 3k4n h ARG 177 Cb 1.09 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3k4n h ARG 177 CO 0.29 0.38 0.00 -1.91 0.56 0.00 0.00 179.97 179.29 3k4n n GLU 178 N -4.53 0.07 -0.02 0.04 2.13 -1.26 -2.44 120.64 114.64 3k4n n GLU 178 Ca 0.16 0.02 0.05 0.00 0.66 0.00 0.00 57.16 58.05 3k4n n GLU 178 Cb 0.48 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.75 3k4n n GLU 178 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3k4n n GLN 179 N -1.46 0.67 -4.03 5.31 6.02 -1.00 -4.76 117.38 118.12 3k4n n GLN 179 Ca 0.08 -1.20 -0.35 0.00 -0.01 0.00 0.00 57.00 55.52 3k4n n GLN 179 Cb 0.31 -1.20 -0.09 0.00 1.02 0.00 0.00 30.24 30.27 3k4n n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4n s ARG 180 N -0.87 3.81 0.50 -1.09 3.52 -1.02 -4.61 118.95 119.19 3k4n s ARG 180 Ca 0.13 -0.33 -0.21 0.00 -0.13 0.00 0.00 55.73 55.19 3k4n s ARG 180 Cb 0.09 -3.16 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 3k4n s ARG 180 CO 0.13 0.38 1.15 -1.25 -0.81 0.00 0.00 175.30 174.89 3k4n s PRO 181 N 0.07 3.59 0.15 5.12 0.04 -1.26 -4.98 135.00 137.72 3k4n s PRO 181 Ca 0.05 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3k4n s PRO 181 Cb -0.12 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 3k4n s PRO 181 CO 0.01 -0.67 1.28 -0.51 0.04 0.00 0.00 177.00 177.14 3k4n s LEU 182 N -3.37 4.41 0.12 -3.56 1.43 -1.26 -4.91 118.68 111.54 3k4n s LEU 182 Ca 0.68 2.26 0.18 0.00 -1.03 0.00 0.00 54.13 56.23 3k4n s LEU 182 Cb -0.26 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.28 3k4n s LEU 182 CO 0.31 -0.50 0.93 -0.07 0.23 0.00 0.00 176.35 177.24 3k4n h LEU 183 N 5.94 0.00 -8.07 1.79 3.38 -1.94 -3.47 115.31 112.94 3k4n h LEU 183 Ca -0.43 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.17 3k4n h LEU 183 Cb 1.21 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.69 3k4n h LEU 183 CO 0.79 0.40 -0.77 -0.69 0.09 0.00 0.00 178.44 178.26 3k4n s VAL 184 N -3.06 0.68 -0.03 1.22 1.01 -1.26 -5.01 120.40 113.95 3k4n s VAL 184 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3k4n s VAL 184 Cb 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3k4n s VAL 184 CO 0.80 0.07 0.06 -1.59 0.00 0.00 0.00 175.10 174.45 3k4n s LYS 185 N -0.52 3.06 -1.50 2.72 -2.85 -1.26 -4.52 119.74 114.87 3k4n s LYS 185 Ca 0.01 -0.45 -0.02 0.00 -1.00 0.00 0.00 55.97 54.51 3k4n s LYS 185 Cb -0.05 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.87 3k4n s LYS 185 CO 0.00 0.67 0.27 -0.25 0.10 0.00 0.00 175.35 176.13 3k4n n ASP 186 N 1.46 -5.53 -2.83 0.03 8.00 -1.26 -4.95 116.55 111.48 3k4n n ASP 186 Ca -0.15 -0.13 -0.08 0.00 0.71 0.00 0.00 54.79 55.13 3k4n n ASP 186 Cb 0.53 -4.47 0.01 0.00 -0.02 0.00 0.00 41.12 37.17 3k4n n ASP 186 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k4n n ASP 187 N -1.80 -2.83 -0.30 -2.24 -0.08 -1.26 -5.02 116.55 103.01 3k4n n ASP 187 Ca -0.16 -3.01 0.01 0.00 -1.51 0.00 0.00 54.79 50.11 3k4n n ASP 187 Cb 0.64 1.48 0.07 0.00 2.34 0.00 0.00 41.12 45.66 3k4n n ASP 187 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k4n h ALA 188 N 4.62 0.36 -0.18 -1.67 0.00 -1.92 0.37 119.26 120.83 3k4n h ALA 188 Ca -0.00 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3k4n h ALA 188 Cb 1.05 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3k4n h ALA 188 CO 0.18 -0.50 -0.08 -0.44 0.00 0.00 0.00 179.25 178.41 3k4n h ASP 189 N -0.03 -0.28 -0.26 0.00 3.32 -1.98 0.91 116.42 118.10 3k4n h ASP 189 Ca 0.36 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.53 3k4n h ASP 189 Cb 0.60 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 3k4n h ASP 189 CO -0.86 -0.11 -0.44 0.00 -1.72 0.00 0.00 179.24 176.11 3k4n h ALA 190 N 1.10 -0.55 -0.81 3.45 0.00 -1.04 -0.45 119.26 120.96 3k4n h ALA 190 Ca 0.10 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3k4n h ALA 190 Cb 0.21 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3k4n h ALA 190 CO -0.22 -0.92 0.41 0.22 0.00 0.00 0.00 179.25 178.74 3k4n h ASP 191 N -0.42 0.50 -0.27 0.00 3.58 0.21 -0.02 116.42 120.00 3k4n h ASP 191 Ca 0.10 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 3k4n h ASP 191 Cb 0.61 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 3k4n h ASP 191 CO -0.48 0.23 -0.30 0.44 -2.88 0.00 0.00 179.24 176.26 3k4n h ASP 192 N 0.61 0.80 0.15 2.28 5.19 -0.40 -1.19 116.42 123.87 3k4n h ASP 192 Ca 0.43 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3k4n h ASP 192 Cb 0.57 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3k4n h ASP 192 CO -0.34 1.04 -0.07 0.00 -3.12 0.00 0.00 179.24 176.75 3k4n h ALA 193 N 1.01 -0.21 -0.08 3.45 0.00 0.62 -0.76 119.26 123.29 3k4n h ALA 193 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3k4n h ALA 193 Cb 0.83 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3k4n h ALA 193 CO 0.07 -0.59 -0.07 1.49 0.00 0.00 0.00 179.25 180.15 3k4n h GLU 194 N -0.25 -0.08 -0.39 0.00 4.57 -0.78 -1.97 114.58 115.69 3k4n h GLU 194 Ca -0.02 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 3k4n h GLU 194 Cb 0.19 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3k4n h GLU 194 CO 0.03 -0.05 0.03 -1.49 -1.18 0.00 0.00 179.01 176.36 3k4n h TRP 195 N -0.08 0.71 -0.63 0.92 4.06 -1.11 -0.76 115.95 119.06 3k4n h TRP 195 Ca 0.06 -0.11 0.07 0.00 2.06 0.00 0.00 58.89 60.97 3k4n h TRP 195 Cb 0.16 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 28.07 3k4n h TRP 195 CO -0.18 0.72 0.31 0.22 -3.56 0.00 0.00 178.44 175.96 3k4n h ASP 196 N 0.49 0.43 -0.20 -3.49 3.58 -0.98 0.78 116.42 117.04 3k4n h ASP 196 Ca 0.11 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 3k4n h ASP 196 Cb 0.42 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3k4n h ASP 196 CO 0.01 0.27 0.08 -0.09 -2.88 0.00 0.00 179.24 176.63 3k4n h ARG 197 N 0.57 0.30 -0.36 0.28 2.43 -0.73 -0.90 114.38 115.96 3k4n h ARG 197 Ca 0.30 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.24 3k4n h ARG 197 Cb 0.26 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3k4n h ARG 197 CO -0.22 0.37 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.10 3k4n h LEU 198 N 0.16 0.99 -0.65 3.80 3.38 -0.84 -2.83 115.31 119.33 3k4n h LEU 198 Ca 0.07 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3k4n h LEU 198 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3k4n h LEU 198 CO -0.00 1.28 0.25 1.88 0.09 0.00 0.00 178.44 181.93 3k4n h TYR 199 N 0.74 1.00 -0.46 1.13 0.05 0.71 -2.43 116.97 117.70 3k4n h TYR 199 Ca 0.05 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 3k4n h TYR 199 Cb 1.03 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 3k4n h TYR 199 CO 0.07 0.79 0.03 1.15 -1.05 0.00 0.00 178.16 179.14 3k4n h THR 200 N 0.92 1.23 -0.54 -2.88 2.02 -1.11 -0.73 112.91 111.82 3k4n h THR 200 Ca 0.21 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.38 3k4n h THR 200 Cb 0.22 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3k4n h THR 200 CO -0.02 0.33 -0.05 0.50 0.37 0.00 0.00 175.52 176.66 3k4n h LYS 201 N 0.70 0.98 -0.49 6.66 3.64 -1.36 -0.77 116.57 125.93 3k4n h LYS 201 Ca 0.14 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3k4n h LYS 201 Cb 0.39 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3k4n h LYS 201 CO 0.01 1.01 0.31 0.00 -2.27 0.00 0.00 179.45 178.51 3k4n h ALA 202 N 0.94 0.62 -0.85 5.00 0.00 -0.76 -0.06 119.26 124.14 3k4n h ALA 202 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3k4n h ALA 202 Cb 0.60 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3k4n h ALA 202 CO 0.04 0.09 0.57 0.93 0.00 0.00 0.00 179.25 180.87 3k4n h GLU 203 N 0.65 1.09 0.66 0.00 5.08 -1.12 -0.21 114.58 120.74 3k4n h GLU 203 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3k4n h GLU 203 Cb -0.04 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 28.97 3k4n h GLU 203 CO -0.04 0.72 -0.32 1.03 -1.00 0.00 0.00 179.01 179.41 3k4n h SER 204 N 1.13 -0.75 -0.92 1.42 0.87 -0.40 -1.58 113.55 113.31 3k4n h SER 204 Ca 0.32 0.02 0.17 0.00 -1.23 0.00 0.00 61.79 61.08 3k4n h SER 204 Cb -0.08 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.00 3k4n h SER 204 CO -0.08 -0.54 0.59 1.88 -0.53 0.00 0.00 176.83 178.16 3k4n h TYR 205 N -0.90 0.78 -0.01 2.24 0.05 -0.45 -2.72 116.97 115.97 3k4n h TYR 205 Ca -0.09 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3k4n h TYR 205 Cb 0.69 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3k4n h TYR 205 CO -0.03 0.24 -0.35 1.19 -1.05 0.00 0.00 178.16 178.16 3k4n n PHE 206 N -4.58 0.00 -2.95 4.88 3.72 -0.14 -3.33 117.46 115.05 3k4n n PHE 206 Ca 0.19 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.37 3k4n n PHE 206 Cb 0.56 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 39.03 3k4n n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4n n GLN 207 N -0.59 -4.57 -1.90 -1.08 1.13 -0.68 -3.89 117.38 105.80 3k4n n GLN 207 Ca 0.11 0.90 -0.41 0.00 -1.94 0.00 0.00 57.00 55.65 3k4n n GLN 207 Cb 0.38 -5.69 -0.01 0.00 0.11 0.00 0.00 30.24 25.02 3k4n n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4n s THR 208 N -3.16 2.27 0.35 5.09 2.01 -0.71 -3.23 115.64 118.27 3k4n s THR 208 Ca 0.27 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 3k4n s THR 208 Cb -0.12 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.25 3k4n s THR 208 CO 0.34 0.06 0.59 0.61 -0.69 0.00 0.00 174.62 175.53 3k4n n GLY 209 N 0.70 1.66 0.29 4.40 0.00 -0.85 -4.89 105.19 106.51 3k4n n GLY 209 Ca 0.01 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.62 3k4n n GLY 209 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k4n n THR 210 N -0.53 0.71 0.02 2.61 -2.24 -1.26 -1.90 114.28 111.69 3k4n n THR 210 Ca -0.03 -0.84 0.04 0.00 -2.27 0.00 0.00 64.05 60.94 3k4n n THR 210 Cb 0.56 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 3k4n n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4n n ASP 211 N -0.53 3.17 0.28 3.42 5.75 -1.26 -4.68 116.55 122.70 3k4n n ASP 211 Ca 0.06 -0.04 0.13 0.00 -0.01 0.00 0.00 54.79 54.93 3k4n n ASP 211 Cb 0.64 1.31 0.61 0.00 -1.03 0.00 0.00 41.12 42.66 3k4n n ASP 211 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3k4n h GLN 212 N 0.00 0.00 0.00 0.11 7.50 -1.92 -2.15 115.11 118.66 3k4n h GLN 212 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3k4n h GLN 212 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3k4n h GLN 212 CO 0.00 0.00 -0.03 1.19 -1.50 0.00 0.00 178.83 178.49 3k4n n PHE 213 N -2.93 0.00 -0.27 2.96 3.01 -1.26 -4.75 117.46 114.22 3k4n n PHE 213 Ca 0.01 -0.54 0.12 0.00 1.01 0.00 0.00 57.45 58.05 3k4n n PHE 213 Cb 0.61 -0.07 0.39 0.00 -0.01 0.00 0.00 39.48 40.39 3k4n n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4n h LYS 214 N 0.00 0.66 -0.61 -1.08 2.10 -1.69 -2.94 116.57 112.99 3k4n h LYS 214 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3k4n h LYS 214 Cb 0.74 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3k4n h LYS 214 CO 0.00 0.43 0.00 0.39 -2.00 0.00 0.00 179.45 178.27 3k4n n GLU 215 N -4.56 3.01 -2.69 0.07 1.02 -1.26 -4.80 120.64 111.42 3k4n n GLU 215 Ca 0.17 -2.16 -0.42 0.00 -0.02 0.00 0.00 57.16 54.73 3k4n n GLU 215 Cb 0.48 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3k4n n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4n s SER 216 N -0.82 7.35 0.05 1.62 0.15 -1.11 -4.85 113.70 116.08 3k4n s SER 216 Ca 0.39 1.67 -0.33 0.00 0.70 0.00 0.00 55.95 58.38 3k4n s SER 216 Cb 0.25 -2.57 -0.19 0.00 -1.71 0.00 0.00 66.02 61.80 3k4n s SER 216 CO 0.19 -0.29 1.45 0.40 1.20 0.00 0.00 173.24 176.20 3k4n h ILE 217 N 4.81 0.16 -0.99 6.45 2.04 -1.88 -2.32 117.51 125.77 3k4n h ILE 217 Ca -0.40 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.45 3k4n h ILE 217 Cb 1.21 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 3k4n h ILE 217 CO 0.76 0.01 0.62 0.03 0.00 0.00 0.00 178.15 179.57 3k4n h ARG 218 N -1.15 0.98 0.37 2.37 3.08 -1.94 0.44 114.38 118.52 3k4n h ARG 218 Ca -0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3k4n h ARG 218 Cb 0.82 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 3k4n h ARG 218 CO 0.18 0.65 -0.49 1.25 -1.07 0.00 0.00 179.97 180.48 3k4n h HIS 219 N 1.01 -1.39 -0.48 3.04 2.76 -1.79 -2.27 115.15 116.04 3k4n h HIS 219 Ca 0.48 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.68 3k4n h HIS 219 Cb 0.42 0.56 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 3k4n h HIS 219 CO -0.01 -0.62 0.32 -0.91 -1.30 0.00 0.00 177.93 175.40 3k4n h ASN 220 N -0.89 0.51 0.53 3.26 2.35 -0.20 -1.37 115.58 119.77 3k4n h ASN 220 Ca -0.04 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3k4n h ASN 220 Cb 0.81 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 3k4n h ASN 220 CO -0.13 0.37 -0.41 0.25 -1.65 0.00 0.00 177.43 175.86 3k4n h LEU 221 N 0.60 -1.07 -0.10 1.61 5.85 -0.10 -1.41 115.31 120.70 3k4n h LEU 221 Ca 0.18 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3k4n h LEU 221 Cb -0.01 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3k4n h LEU 221 CO -0.04 -0.60 0.05 0.58 -0.34 0.00 0.00 178.44 178.10 3k4n h VAL 222 N -0.92 1.09 -0.51 1.05 2.07 -1.17 -2.14 116.25 115.72 3k4n h VAL 222 Ca -0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3k4n h VAL 222 Cb 0.78 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3k4n h VAL 222 CO 0.01 0.08 0.33 0.25 0.02 0.00 0.00 177.57 178.26 3k4n h LEU 223 N 0.06 0.59 -0.57 2.57 7.12 -1.27 -2.62 115.31 121.19 3k4n h LEU 223 Ca 0.03 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.89 3k4n h LEU 223 Cb 0.09 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 3k4n h LEU 223 CO -0.01 0.44 -0.27 0.78 -0.13 0.00 0.00 178.44 179.26 3k4n h ASN 224 N 0.69 0.88 -0.68 1.25 2.35 -1.24 -2.01 115.58 116.83 3k4n h ASN 224 Ca 0.19 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3k4n h ASN 224 Cb -0.07 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 3k4n h ASN 224 CO -0.04 1.10 0.21 0.50 -1.65 0.00 0.00 177.43 177.54 3k4n h LYS 225 N 0.73 1.06 -0.13 0.81 1.63 -1.29 -2.00 116.57 117.38 3k4n h LYS 225 Ca 0.09 -0.23 -0.13 0.00 -0.85 0.00 0.00 60.65 59.53 3k4n h LYS 225 Cb 0.82 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 3k4n h LYS 225 CO 0.07 0.92 -0.48 -0.07 -3.45 0.00 0.00 179.45 176.44 3k4n h LEU 226 N 0.99 0.37 0.10 5.20 3.38 -1.33 -2.81 115.31 121.21 3k4n h LEU 226 Ca 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3k4n h LEU 226 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3k4n h LEU 226 CO -0.01 0.80 -0.05 0.74 0.09 0.00 0.00 178.44 180.02 3k4n h THR 227 N 0.28 1.12 -0.75 0.22 2.02 -0.95 -2.74 112.91 112.10 3k4n h THR 227 Ca 0.01 -0.92 0.10 0.00 0.77 0.00 0.00 66.41 66.37 3k4n h THR 227 Cb 0.96 1.70 -0.11 0.00 -1.74 0.00 0.00 68.15 68.95 3k4n h THR 227 CO 0.08 0.22 -0.34 -0.62 0.37 0.00 0.00 175.52 175.23 3k4n n GLU 228 N -4.95 -0.23 -0.05 6.66 1.02 -0.79 -2.75 120.64 119.55 3k4n n GLU 228 Ca -0.09 1.14 -0.13 0.00 -0.02 0.00 0.00 57.16 58.07 3k4n n GLU 228 Cb 0.24 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 3k4n n GLU 228 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3k4n h GLU 229 N 0.00 0.33 0.00 3.49 4.39 -1.37 -3.09 114.58 118.33 3k4n h GLU 229 Ca 0.21 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3k4n h GLU 229 Cb 0.40 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3k4n h GLU 229 CO -0.73 0.66 0.00 0.66 -1.16 0.00 0.00 179.01 178.44 3k4n n TYR 230 N -4.63 0.00 -3.39 4.33 4.02 -1.05 -4.90 117.16 111.54 3k4n n TYR 230 Ca -0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.60 3k4n n TYR 230 Cb 0.31 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.58 3k4n n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4n n LYS 231 N -0.92 -0.87 -2.47 -0.72 5.02 -1.14 0.54 118.16 117.61 3k4n n LYS 231 Ca 0.20 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.49 3k4n n LYS 231 Cb 0.09 -2.61 0.04 0.00 -0.02 0.00 0.00 35.03 32.53 3k4n n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4n n GLY 232 N -1.16 0.01 0.03 0.72 0.00 -1.26 -4.94 105.19 98.59 3k4n n GLY 232 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 3k4n n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4n n GLN 233 N -2.36 2.32 -3.75 1.61 6.02 0.19 -5.08 117.38 116.33 3k4n n GLN 233 Ca -0.08 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.73 3k4n n GLN 233 Cb 0.57 -1.20 -0.17 0.00 1.02 0.00 0.00 30.24 30.46 3k4n n GLN 233 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4n s ARG 234 N -2.25 -0.02 -0.03 -1.09 0.52 -1.26 -5.12 118.95 109.70 3k4n s ARG 234 Ca -0.04 0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 3k4n s ARG 234 Cb 0.03 -0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.11 3k4n s ARG 234 CO 0.33 -0.22 1.13 -0.51 0.02 0.00 0.00 175.30 176.05 3k4n s ASP 235 N 1.43 7.15 0.07 0.23 1.11 -1.26 -4.91 116.67 120.48 3k4n s ASP 235 Ca -0.05 1.79 0.07 0.00 0.18 0.00 0.00 52.55 54.54 3k4n s ASP 235 Cb -0.13 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 3k4n s ASP 235 CO -0.03 -0.48 -0.13 -0.36 1.18 0.00 0.00 175.17 175.35 3k4n s PHE 236 N 1.69 2.67 0.36 4.23 0.40 -1.26 -4.28 117.98 121.79 3k4n s PHE 236 Ca 0.55 -0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 56.53 3k4n s PHE 236 Cb -0.24 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 41.90 3k4n s PHE 236 CO 0.24 0.36 0.85 1.14 0.70 0.00 0.00 175.22 178.51 3k4n s GLN 237 N -1.85 2.11 0.20 0.44 -2.07 0.07 -5.00 119.66 113.56 3k4n s GLN 237 Ca 0.18 -1.38 -0.30 0.00 -1.82 0.00 0.00 55.36 52.05 3k4n s GLN 237 Cb -0.11 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.31 3k4n s GLN 237 CO 0.10 -0.99 1.18 -1.14 -1.32 0.00 0.00 175.29 173.12 3k4n s GLN 238 N -2.10 4.51 0.14 9.60 0.74 -1.26 -0.58 119.66 130.71 3k4n s GLN 238 Ca 0.17 1.87 -0.35 0.00 0.05 0.00 0.00 55.36 57.11 3k4n s GLN 238 Cb -0.05 -3.23 -0.15 0.00 1.10 0.00 0.00 33.01 30.68 3k4n s GLN 238 CO 0.11 -0.05 1.47 -0.89 -0.55 0.00 0.00 175.29 175.38 3k4n n ILE 239 N 2.32 0.11 -2.15 -2.34 5.41 -0.71 -4.78 119.36 117.21 3k4n n ILE 239 Ca 0.04 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.35 3k4n n ILE 239 Cb 0.45 -1.28 -0.03 0.00 -0.71 0.00 0.00 39.64 38.08 3k4n n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4n s PRO 240 N 0.62 4.37 -0.01 0.38 0.02 -1.26 -4.79 135.00 134.33 3k4n s PRO 240 Ca 0.79 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.99 3k4n s PRO 240 Cb -0.77 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 30.63 3k4n s PRO 240 CO 0.42 -0.22 -0.05 -0.51 -0.33 0.00 0.00 177.00 176.31 3k4n s LEU 241 N -1.03 1.91 -1.22 -5.54 1.43 -0.80 -2.28 118.68 111.15 3k4n s LEU 241 Ca 0.53 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 3k4n s LEU 241 Cb -0.39 -0.30 0.06 0.00 0.03 0.00 0.00 46.19 45.60 3k4n s LEU 241 CO 0.46 0.05 1.68 0.00 0.23 0.00 0.00 176.35 178.77 3k4n s ALA 242 N 0.02 3.09 -0.21 4.21 0.00 -0.39 -2.00 121.76 126.48 3k4n s ALA 242 Ca 0.00 -2.71 -0.31 0.00 0.00 0.00 0.00 51.96 48.94 3k4n s ALA 242 Cb -0.04 -4.62 0.15 0.00 0.00 0.00 0.00 23.12 18.61 3k4n s ALA 242 CO -0.00 -3.47 1.18 0.00 0.00 0.00 0.00 175.76 173.47 3k4n s ALA 243 N 4.74 -2.03 -0.13 0.00 0.00 -1.20 -0.37 121.76 122.77 3k4n s ALA 243 Ca 0.53 1.68 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3k4n s ALA 243 Cb 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3k4n s ALA 243 CO 0.04 -0.37 -0.13 0.99 0.00 0.00 0.00 175.76 176.28 3k4n s THR 244 N -1.49 3.01 0.49 0.00 2.01 -0.42 -4.68 115.64 114.56 3k4n s THR 244 Ca 0.05 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 3k4n s THR 244 Cb -0.01 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.16 3k4n s THR 244 CO -0.04 0.53 0.95 -0.60 -0.69 0.00 0.00 174.62 174.76 3k4n s ARG 245 N 0.34 3.94 0.00 4.92 3.52 -1.26 0.12 118.95 130.53 3k4n s ARG 245 Ca -0.11 0.88 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 3k4n s ARG 245 Cb -0.16 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 3k4n s ARG 245 CO 0.06 -0.21 0.00 0.54 -0.81 0.00 0.00 175.30 174.88 3k4n n ARG 246 N -1.46 0.00 -4.36 5.12 5.12 0.09 -4.87 116.66 116.29 3k4n n ARG 246 Ca 0.06 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.79 3k4n n ARG 246 Cb 0.54 -0.69 -0.10 0.00 -1.16 0.00 0.00 32.46 31.06 3k4n n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4n s SER 247 N -3.48 1.65 0.51 0.55 1.04 -1.14 -4.96 113.70 107.87 3k4n s SER 247 Ca 0.00 -1.50 0.18 0.00 0.48 0.00 0.00 55.95 55.11 3k4n s SER 247 Cb 0.00 0.29 0.96 0.00 0.10 0.00 0.00 66.02 67.37 3k4n s SER 247 CO 0.00 -0.82 1.49 -0.65 0.98 0.00 0.00 173.24 174.24 3k4n h PRO 248 N 2.21 0.00 0.00 4.02 0.11 -2.00 -2.99 132.00 133.35 3k4n h PRO 248 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k4n h PRO 248 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k4n h PRO 248 CO 0.57 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 3k4n n THR 249 N -2.44 0.23 -4.46 -1.15 -2.24 -1.26 -4.76 114.28 98.20 3k4n n THR 249 Ca -0.01 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.03 3k4n n THR 249 Cb 0.46 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 3k4n n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4n s PHE 250 N -0.23 1.31 -0.02 4.78 2.19 -1.13 -4.88 117.98 119.99 3k4n s PHE 250 Ca 0.00 -0.48 0.07 0.00 0.33 0.00 0.00 56.93 56.85 3k4n s PHE 250 Cb 0.00 -1.00 -0.02 0.00 -1.31 0.00 0.00 43.02 40.69 3k4n s PHE 250 CO 0.00 -0.27 -0.24 0.08 1.83 0.00 0.00 175.22 176.62 3k4n s VAL 251 N 0.78 2.23 -0.74 3.12 1.01 -1.26 -0.73 120.40 124.80 3k4n s VAL 251 Ca -0.13 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 3k4n s VAL 251 Cb -0.15 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.56 3k4n s VAL 251 CO 0.02 0.57 0.88 -0.70 0.00 0.00 0.00 175.10 175.88 3k4n s GLU 252 N -0.66 3.31 0.12 2.72 2.12 0.12 -4.83 118.70 121.60 3k4n s GLU 252 Ca 0.10 -1.56 -0.31 0.00 0.36 0.00 0.00 54.97 53.56 3k4n s GLU 252 Cb -0.10 -4.49 -0.08 0.00 0.26 0.00 0.00 34.13 29.72 3k4n s GLU 252 CO -0.01 -1.62 1.40 -1.58 -0.54 0.00 0.00 175.26 172.92 3k4n s TRP 253 N 2.50 3.23 0.90 5.30 0.52 -1.26 -1.30 118.94 128.82 3k4n s TRP 253 Ca 0.20 0.93 -0.12 0.00 0.02 0.00 0.00 56.10 57.13 3k4n s TRP 253 Cb -0.15 -3.70 0.13 0.00 -1.15 0.00 0.00 33.47 28.60 3k4n s TRP 253 CO -0.00 -2.46 1.12 -1.12 0.02 0.00 0.00 176.95 174.51 3k4n s SER 254 N 1.12 3.60 0.17 2.95 0.01 0.50 -4.52 113.70 117.51 3k4n s SER 254 Ca 0.65 1.08 -0.11 0.00 1.31 0.00 0.00 55.95 58.87 3k4n s SER 254 Cb -0.37 -1.70 0.04 0.00 0.21 0.00 0.00 66.02 64.20 3k4n s SER 254 CO 0.30 -2.51 0.57 -1.54 0.41 0.00 0.00 173.24 170.47 3k4n n SER 255 N -3.75 -1.20 -0.33 2.44 3.41 -1.26 -4.70 113.62 108.23 3k4n n SER 255 Ca 0.06 -1.73 0.15 0.00 -0.26 0.00 0.00 58.87 57.10 3k4n n SER 255 Cb 0.58 1.97 0.31 0.00 -0.26 0.00 0.00 64.21 66.81 3k4n n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4n h ALA 256 N 2.00 1.23 -0.12 7.33 0.00 -1.80 0.10 119.26 128.01 3k4n h ALA 256 Ca -0.18 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3k4n h ALA 256 Cb 0.74 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3k4n h ALA 256 CO 0.24 -0.58 0.01 -0.97 0.00 0.00 0.00 179.25 177.95 3k4n h ASN 257 N 0.03 0.15 0.04 0.00 -0.73 -1.64 0.13 115.58 113.57 3k4n h ASN 257 Ca 0.60 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.76 3k4n h ASN 257 Cb 1.27 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.82 3k4n h ASN 257 CO -0.87 0.17 -0.02 0.74 -0.37 0.00 0.00 177.43 177.08 3k4n h THR 258 N 0.17 1.16 -0.34 -3.57 2.02 -1.12 -2.95 112.91 108.28 3k4n h THR 258 Ca 0.04 -0.67 0.06 0.00 0.77 0.00 0.00 66.41 66.61 3k4n h THR 258 Cb 0.10 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3k4n h THR 258 CO -0.00 0.17 -0.02 0.58 0.37 0.00 0.00 175.52 176.62 3k4n h VAL 259 N -0.35 0.73 -2.23 3.16 2.07 -1.12 -3.45 116.25 115.06 3k4n h VAL 259 Ca -0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3k4n h VAL 259 Cb 0.32 0.65 -0.23 0.00 -1.52 0.00 0.00 31.29 30.51 3k4n h VAL 259 CO 0.01 0.01 -0.12 0.12 0.02 0.00 0.00 177.57 177.61 3k4n s PHE 260 N -6.19 -0.94 -1.68 1.57 5.36 0.41 -4.78 117.98 111.72 3k4n s PHE 260 Ca -0.13 1.86 0.31 0.00 -0.96 0.00 0.00 56.93 58.00 3k4n s PHE 260 Cb 0.13 0.52 1.69 0.00 -0.34 0.00 0.00 43.02 45.02 3k4n s PHE 260 CO 0.70 -0.48 2.13 -0.40 -1.46 0.00 0.00 175.22 175.71 3k4n n ASP 261 N 4.50 0.00 -1.44 6.13 5.68 -1.18 -3.79 116.55 126.45 3k4n n ASP 261 Ca -0.19 -0.52 -0.19 0.00 -0.50 0.00 0.00 54.79 53.39 3k4n n ASP 261 Cb 0.56 -0.16 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 3k4n n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4n n LEU 262 N -1.16 -1.27 -4.74 -2.12 4.77 -1.26 -4.16 117.00 107.06 3k4n n LEU 262 Ca 0.19 0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 56.22 3k4n n LEU 262 Cb 0.18 -2.82 -0.04 0.00 -2.33 0.00 0.00 43.42 38.41 3k4n n LEU 262 CO 0.21 -1.08 0.84 -1.10 -1.33 0.00 0.00 177.39 174.93 3k4n s GLN 263 N -3.59 4.55 0.47 3.23 -1.52 -1.26 -4.82 119.66 116.72 3k4n s GLN 263 Ca 0.00 1.84 -0.23 0.00 -1.95 0.00 0.00 55.36 55.01 3k4n s GLN 263 Cb 0.00 -3.23 -0.08 0.00 -0.22 0.00 0.00 33.01 29.48 3k4n s GLN 263 CO 0.00 0.03 1.15 0.09 -0.25 0.00 0.00 175.29 176.31 3k4n n ASN 264 N 2.03 1.85 -4.01 5.90 4.13 -1.26 -4.84 115.26 119.07 3k4n n ASN 264 Ca 0.02 1.01 -0.13 0.00 1.68 0.00 0.00 54.58 57.17 3k4n n ASN 264 Cb 0.45 -1.45 -0.12 0.00 -1.54 0.00 0.00 39.78 37.12 3k4n n ASN 264 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3k4n s ARG 265 N -2.35 0.42 0.47 3.52 0.52 0.60 -4.22 118.95 117.91 3k4n s ARG 265 Ca 0.66 -0.55 -0.22 0.00 -0.52 0.00 0.00 55.73 55.10 3k4n s ARG 265 Cb -0.49 -0.21 -0.07 0.00 0.52 0.00 0.00 34.95 34.69 3k4n s ARG 265 CO 0.54 0.04 1.13 -2.14 0.02 0.00 0.00 175.30 174.90 3k4n s PRO 266 N -1.12 3.74 0.36 3.54 0.02 -0.74 -1.33 135.00 139.48 3k4n s PRO 266 Ca -0.08 1.68 0.04 0.00 0.02 0.00 0.00 61.00 62.66 3k4n s PRO 266 Cb -0.07 -2.33 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 3k4n s PRO 266 CO -0.00 -0.54 0.16 0.54 -0.33 0.00 0.00 177.00 176.83 3k4n s ASN 267 N -1.51 2.17 0.24 2.53 2.20 -1.17 -4.96 114.94 114.44 3k4n s ASN 267 Ca 0.65 -1.64 -0.04 0.00 -0.94 0.00 0.00 52.86 50.88 3k4n s ASN 267 Cb -0.26 0.46 0.43 0.00 -2.00 0.00 0.00 41.25 39.88 3k4n s ASN 267 CO 0.31 -0.93 1.77 0.74 -2.94 0.00 0.00 177.10 176.05 3k4n h THR 268 N 2.00 0.79 0.00 0.54 2.02 -1.97 -1.10 112.91 115.20 3k4n h THR 268 Ca -0.33 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3k4n h THR 268 Cb 1.26 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3k4n h THR 268 CO 0.52 0.11 0.00 0.44 0.37 0.00 0.00 175.52 176.96 3k4n h ASP 269 N 0.62 0.00 -1.58 4.18 3.32 -2.00 -3.37 116.42 117.59 3k4n h ASP 269 Ca 0.41 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 57.01 3k4n h ASP 269 Cb 0.50 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.70 3k4n h ASP 269 CO -0.31 0.00 -1.02 0.00 -1.72 0.00 0.00 179.24 176.18 3k4n n ALA 270 N -1.85 1.48 1.12 3.45 0.00 -0.57 -4.98 120.51 119.17 3k4n n ALA 270 Ca 0.05 -2.99 0.12 0.00 0.00 0.00 0.00 53.44 50.61 3k4n n ALA 270 Cb 0.41 -0.96 0.60 0.00 0.00 0.00 0.00 19.45 19.49 3k4n n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k4n n PRO 271 N 0.65 0.34 -0.02 0.00 -0.05 -0.52 -2.51 135.00 132.89 3k4n n PRO 271 Ca 0.20 0.06 0.06 0.00 -0.05 0.00 0.00 63.50 63.78 3k4n n PRO 271 Cb 0.63 -1.50 -0.14 0.00 -0.05 0.00 0.00 33.50 32.45 3k4n n PRO 271 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3k4n n GLU 272 N -1.28 0.66 -2.60 0.54 -0.58 -1.26 -4.74 120.64 111.38 3k4n n GLU 272 Ca 0.11 -0.14 -0.31 0.00 -0.42 0.00 0.00 57.16 56.41 3k4n n GLU 272 Cb 0.19 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3k4n n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k4n s GLU 273 N -3.10 3.81 -0.14 3.49 2.02 -1.04 -4.97 118.70 118.77 3k4n s GLU 273 Ca -0.07 0.64 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 3k4n s GLU 273 Cb 0.10 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 32.10 3k4n s GLU 273 CO 0.73 -0.17 -0.02 1.03 0.02 0.00 0.00 175.26 176.84 3k4n s ARG 274 N -4.10 1.04 -0.21 1.61 0.52 -1.26 -1.78 118.95 114.77 3k4n s ARG 274 Ca 0.54 -0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 55.32 3k4n s ARG 274 Cb -0.10 -1.66 0.06 0.00 0.52 0.00 0.00 34.95 33.76 3k4n s ARG 274 CO 0.34 -0.42 0.53 0.12 0.02 0.00 0.00 175.30 175.89 3k4n s PHE 275 N 1.79 -0.68 -0.02 -0.53 5.36 -0.44 -2.13 117.98 121.33 3k4n s PHE 275 Ca 0.02 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 57.54 3k4n s PHE 275 Cb -0.14 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 3k4n s PHE 275 CO -0.07 -0.35 -0.09 -0.80 -1.46 0.00 0.00 175.22 172.45 3k4n s ASN 276 N 0.87 1.17 -0.14 6.13 -0.87 -0.45 -0.29 114.94 121.36 3k4n s ASN 276 Ca -0.05 -0.18 -0.00 0.00 -1.57 0.00 0.00 52.86 51.06 3k4n s ASN 276 Cb -0.05 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.25 40.87 3k4n s ASN 276 CO -0.07 0.07 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.18 3k4n s LEU 277 N 0.15 2.70 -0.39 0.60 2.96 -1.26 0.21 118.68 123.64 3k4n s LEU 277 Ca -0.02 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3k4n s LEU 277 Cb -0.08 -1.61 0.12 0.00 0.50 0.00 0.00 46.19 45.11 3k4n s LEU 277 CO 0.00 0.14 0.15 -0.36 -1.32 0.00 0.00 176.35 174.97 3k4n s PHE 278 N 0.48 2.63 0.59 5.38 0.08 0.11 -4.98 117.98 122.28 3k4n s PHE 278 Ca -0.09 -2.55 -0.07 0.00 0.12 0.00 0.00 56.93 54.34 3k4n s PHE 278 Cb -0.16 -2.31 0.13 0.00 -0.57 0.00 0.00 43.02 40.11 3k4n s PHE 278 CO 0.04 -0.85 0.80 -0.35 -0.10 0.00 0.00 175.22 174.77 3k4n n PRO 279 N 3.99 -0.49 -2.74 0.24 -0.05 -1.26 -2.10 135.00 132.59 3k4n n PRO 279 Ca 0.04 -1.53 -0.20 0.00 -0.05 0.00 0.00 63.50 61.75 3k4n n PRO 279 Cb 0.38 -0.74 0.01 0.00 -0.05 0.00 0.00 33.50 33.10 3k4n n PRO 279 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3k4n n ALA 280 N -3.33 -0.83 -3.98 0.55 0.00 -0.78 -4.84 120.51 107.30 3k4n n ALA 280 Ca -0.13 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 3k4n n ALA 280 Cb 0.39 -2.74 -0.16 0.00 0.00 0.00 0.00 19.45 16.94 3k4n n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4n s VAL 281 N -3.00 1.56 -0.48 0.00 1.01 -1.01 -0.32 120.40 118.15 3k4n s VAL 281 Ca 0.15 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 3k4n s VAL 281 Cb -0.07 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3k4n s VAL 281 CO 0.19 0.17 0.84 0.00 0.00 0.00 0.00 175.10 176.30 3k4n s ALA 282 N 1.43 3.25 0.18 5.51 0.00 -0.15 -2.80 121.76 129.20 3k4n s ALA 282 Ca -0.01 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 3k4n s ALA 282 Cb -0.16 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 3k4n s ALA 282 CO -0.08 -2.06 1.16 0.00 0.00 0.00 0.00 175.76 174.78 3k4n n GLU 284 N 2.48 0.00 -3.75 0.00 1.02 -0.56 -4.97 120.64 114.85 3k4n n GLU 284 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 3k4n n GLU 284 Cb 0.45 -0.92 -0.13 0.00 -0.02 0.00 0.00 31.44 30.82 3k4n n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3k4n s ARG 285 N -1.90 0.22 -0.16 3.49 3.52 -1.19 -4.67 118.95 118.26 3k4n s ARG 285 Ca 0.00 0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 55.93 3k4n s ARG 285 Cb 0.00 -0.03 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 3k4n s ARG 285 CO 0.00 -0.11 0.21 0.14 -0.81 0.00 0.00 175.30 174.73 3k4n s VAL 286 N 0.83 5.36 -0.17 7.11 -7.23 -1.26 -1.10 120.40 123.94 3k4n s VAL 286 Ca -0.06 0.37 -0.19 0.00 -1.81 0.00 0.00 61.98 60.29 3k4n s VAL 286 Cb -0.07 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 3k4n s VAL 286 CO -0.05 0.46 0.55 -0.69 -0.31 0.00 0.00 175.10 175.05 3k4n s VAL 287 N 0.10 5.10 0.09 1.32 1.01 -0.39 -4.77 120.40 122.86 3k4n s VAL 287 Ca 0.13 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.95 3k4n s VAL 287 Cb -0.12 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3k4n s VAL 287 CO 0.02 0.20 0.60 -0.13 0.00 0.00 0.00 175.10 175.79 3k4n s ARG 288 N 1.39 4.24 1.08 2.72 0.52 -1.26 -0.65 118.95 126.99 3k4n s ARG 288 Ca 0.27 0.79 -0.12 0.00 -0.52 0.00 0.00 55.73 56.14 3k4n s ARG 288 Cb -0.16 -3.22 0.23 0.00 0.52 0.00 0.00 34.95 32.33 3k4n s ARG 288 CO 0.11 0.62 1.06 0.54 0.02 0.00 0.00 175.30 177.65 3k4n s ASN 289 N -1.15 1.80 0.18 0.23 4.22 -0.45 -4.87 114.94 114.90 3k4n s ASN 289 Ca 0.30 1.46 -0.11 0.00 -2.14 0.00 0.00 52.86 52.38 3k4n s ASN 289 Cb -0.20 -2.17 0.08 0.00 1.28 0.00 0.00 41.25 40.24 3k4n s ASN 289 CO 0.20 -3.68 1.69 0.00 -2.04 0.00 0.00 177.10 173.27 3k4n h ALA 290 N -2.27 0.81 0.00 3.54 0.00 -1.98 -3.12 119.26 116.24 3k4n h ALA 290 Ca -0.57 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3k4n h ALA 290 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3k4n h ALA 290 CO 0.52 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.57 3k4n n LEU 291 N -4.34 0.45 -3.82 0.00 4.77 -1.26 -4.87 117.00 107.93 3k4n n LEU 291 Ca 0.04 0.65 -0.26 0.00 -0.03 0.00 0.00 56.01 56.40 3k4n n LEU 291 Cb 0.24 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3k4n n LEU 291 CO 0.41 -0.63 0.04 0.59 -1.33 0.00 0.00 177.39 176.47 3k4n n ASN 292 N -2.05 -3.34 -0.06 -1.43 3.02 -1.18 -4.89 115.26 105.33 3k4n n ASN 292 Ca 0.01 -0.79 0.02 0.00 -0.03 0.00 0.00 54.58 53.79 3k4n n ASN 292 Cb 0.13 -3.99 -0.01 0.00 -0.61 0.00 0.00 39.78 35.30 3k4n n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4n n SER 293 N -2.93 0.61 -3.59 6.41 3.41 -1.26 -4.30 113.62 111.97 3k4n n SER 293 Ca -0.10 -0.81 -0.16 0.00 -0.26 0.00 0.00 58.87 57.54 3k4n n SER 293 Cb 0.59 0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 65.12 3k4n n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4n s GLU 294 N -1.03 0.91 -0.07 4.33 2.12 -1.26 0.47 118.70 124.17 3k4n s GLU 294 Ca 0.03 0.58 -0.15 0.00 0.36 0.00 0.00 54.97 55.79 3k4n s GLU 294 Cb 0.03 0.44 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 3k4n s GLU 294 CO 0.13 -0.21 0.38 0.42 -0.54 0.00 0.00 175.26 175.44 3k4n s ILE 295 N -0.43 5.16 -0.33 -3.70 -1.09 -1.26 -1.33 121.20 118.21 3k4n s ILE 295 Ca -0.06 0.76 0.18 0.00 -2.23 0.00 0.00 60.65 59.30 3k4n s ILE 295 Cb -0.03 -3.70 -0.25 0.00 -1.58 0.00 0.00 42.46 36.90 3k4n s ILE 295 CO 0.05 0.47 0.54 -0.62 -1.23 0.00 0.00 174.94 174.15 3k4n n GLU 296 N 2.70 0.78 -3.66 2.79 -0.58 0.18 -4.94 120.64 117.91 3k4n n GLU 296 Ca -0.12 -0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.50 3k4n n GLU 296 Cb 0.52 -1.40 -0.01 0.00 -0.57 0.00 0.00 31.44 29.98 3k4n n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4n s SER 297 N -3.56 -0.13 -0.23 1.62 1.04 -1.25 -4.68 113.70 106.50 3k4n s SER 297 Ca -0.02 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.19 3k4n s SER 297 Cb 0.12 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3k4n s SER 297 CO 0.75 -0.52 -0.08 -0.22 0.98 0.00 0.00 173.24 174.14 3k4n s LEU 298 N -2.86 2.95 -0.00 2.42 2.96 -0.03 -1.26 118.68 122.86 3k4n s LEU 298 Ca 0.12 -0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 3k4n s LEU 298 Cb 0.02 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3k4n s LEU 298 CO -0.02 -0.09 0.97 -1.00 -1.32 0.00 0.00 176.35 174.89 3k4n s HIS 299 N 1.34 3.66 0.15 5.38 3.76 -0.26 -0.54 115.29 128.78 3k4n s HIS 299 Ca 0.02 1.68 0.05 0.00 -0.15 0.00 0.00 55.06 56.66 3k4n s HIS 299 Cb -0.16 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 3k4n s HIS 299 CO -0.06 -0.00 -0.11 0.96 -0.85 0.00 0.00 174.74 174.68 3k4n s ILE 300 N 0.98 1.27 -0.24 0.60 -4.36 0.19 -1.50 121.20 118.13 3k4n s ILE 300 Ca 0.51 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 3k4n s ILE 300 Cb -0.21 -1.82 0.06 0.00 1.25 0.00 0.00 42.46 41.74 3k4n s ILE 300 CO 0.28 -0.68 -0.04 -2.28 0.24 0.00 0.00 174.94 172.45 3k4n s HIS 301 N -3.10 2.41 -0.64 1.37 2.46 0.25 -1.82 115.29 116.21 3k4n s HIS 301 Ca 0.16 -1.80 -0.27 0.00 0.47 0.00 0.00 55.06 53.63 3k4n s HIS 301 Cb 0.01 -1.63 0.01 0.00 -0.13 0.00 0.00 32.58 30.84 3k4n s HIS 301 CO 0.02 -0.78 1.50 0.34 -2.47 0.00 0.00 174.74 173.34 3k4n s ASP 302 N 1.39 5.88 0.57 9.88 -1.08 -0.57 -0.97 116.67 131.77 3k4n s ASP 302 Ca -0.05 0.03 0.33 0.00 -0.52 0.00 0.00 52.55 52.34 3k4n s ASP 302 Cb -0.19 -2.55 1.73 0.00 -1.46 0.00 0.00 42.92 40.46 3k4n s ASP 302 CO -0.07 -1.96 2.16 -0.07 0.52 0.00 0.00 175.17 175.75 3k4n h LEU 303 N 14.06 0.00 0.09 -1.34 3.38 -0.97 1.07 115.31 131.60 3k4n h LEU 303 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3k4n h LEU 303 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3k4n h LEU 303 CO 1.23 0.06 -0.04 0.40 0.09 0.00 0.00 178.44 180.17 3k4n h ILE 304 N 0.00 0.61 -0.31 1.22 1.08 -1.90 -3.34 117.51 114.87 3k4n h ILE 304 Ca -0.00 -1.28 -0.16 0.00 -0.39 0.00 0.00 64.86 63.04 3k4n h ILE 304 Cb 0.24 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3k4n h ILE 304 CO 0.01 0.19 -0.43 0.77 -0.69 0.00 0.00 178.15 177.99 3k4n h SER 305 N -0.98 0.83 0.00 1.72 4.64 -1.90 -3.46 113.55 114.40 3k4n h SER 305 Ca -0.01 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3k4n h SER 305 Cb 0.40 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3k4n h SER 305 CO 0.02 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 3k4n n GLY 306 N 0.14 3.27 3.81 -0.77 0.00 0.37 -5.06 105.19 106.94 3k4n n GLY 306 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3k4n n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4n s ASP 307 N -0.36 5.28 0.30 1.61 1.01 -1.23 -4.65 116.67 118.64 3k4n s ASP 307 Ca 0.00 1.70 0.07 0.00 0.71 0.00 0.00 52.55 55.03 3k4n s ASP 307 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 3k4n s ASP 307 CO 0.00 -1.51 0.30 -0.13 0.21 0.00 0.00 175.17 174.04 3k4n s ARG 308 N -4.82 2.92 0.03 8.23 0.52 -1.26 -1.51 118.95 123.06 3k4n s ARG 308 Ca 0.60 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 3k4n s ARG 308 Cb -0.15 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.74 3k4n s ARG 308 CO 0.52 0.21 0.36 -0.06 0.02 0.00 0.00 175.30 176.35 3k4n s PHE 309 N -2.20 -0.21 -0.20 -0.53 0.08 -0.76 -4.95 117.98 109.22 3k4n s PHE 309 Ca 0.39 0.18 -0.06 0.00 0.12 0.00 0.00 56.93 57.55 3k4n s PHE 309 Cb -0.07 0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.51 3k4n s PHE 309 CO 0.27 -0.51 0.02 -2.00 -0.10 0.00 0.00 175.22 172.90 3k4n s GLU 310 N -2.22 3.68 -0.15 0.44 2.56 -1.26 -0.64 118.70 121.11 3k4n s GLU 310 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.42 3k4n s GLU 310 Cb -0.02 -3.13 -0.01 0.00 2.00 0.00 0.00 34.13 32.97 3k4n s GLU 310 CO -0.01 0.03 -0.15 0.42 -0.56 0.00 0.00 175.26 175.00 3k4n s ILE 311 N 0.97 2.78 -0.09 -3.70 -1.09 0.30 -4.92 121.20 115.45 3k4n s ILE 311 Ca 0.02 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 3k4n s ILE 311 Cb -0.14 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3k4n s ILE 311 CO 0.02 0.52 0.15 -0.75 -1.23 0.00 0.00 174.94 173.65 3k4n s LYS 312 N 0.69 3.43 0.18 2.79 2.47 -1.26 -0.85 119.74 127.19 3k4n s LYS 312 Ca -0.07 -0.19 -0.13 0.00 -1.56 0.00 0.00 55.97 54.01 3k4n s LYS 312 Cb -0.16 -3.16 0.01 0.00 -1.46 0.00 0.00 37.83 33.07 3k4n s LYS 312 CO 0.02 0.75 0.41 0.00 0.16 0.00 0.00 175.35 176.69 3k4n s ALA 313 N -1.12 -0.50 -0.14 3.13 0.00 -1.26 -2.07 121.76 119.81 3k4n s ALA 313 Ca 0.19 -0.53 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 3k4n s ALA 313 Cb -0.12 0.85 -0.22 0.00 0.00 0.00 0.00 23.12 23.63 3k4n s ALA 313 CO 0.08 -0.73 0.63 -0.44 0.00 0.00 0.00 175.76 175.30 3k4n h ASP 314 N 2.36 0.00 -3.32 0.00 3.32 -1.24 -3.47 116.42 114.07 3k4n h ASP 314 Ca -0.30 -0.83 -0.67 0.00 0.02 0.00 0.00 57.03 55.25 3k4n h ASP 314 Cb 1.25 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.49 3k4n h ASP 314 CO 0.42 0.95 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.38 3k4n s VAL 315 N -2.13 2.53 -0.23 -1.35 1.01 0.90 -4.76 120.40 116.37 3k4n s VAL 315 Ca -0.17 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 3k4n s VAL 315 Cb -0.02 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3k4n s VAL 315 CO 0.58 0.54 0.00 -0.31 0.00 0.00 0.00 175.10 175.92 3k4n s TYR 316 N 0.41 3.01 -0.23 5.22 1.51 0.32 -1.63 117.35 125.96 3k4n s TYR 316 Ca -0.14 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.17 3k4n s TYR 316 Cb -0.17 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 3k4n s TYR 316 CO 0.06 -0.48 -0.12 0.08 -1.11 0.00 0.00 175.55 173.98 3k4n s VAL 317 N 1.53 2.46 -0.44 0.71 1.01 -0.36 -0.42 120.40 124.89 3k4n s VAL 317 Ca 0.06 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.72 3k4n s VAL 317 Cb -0.15 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3k4n s VAL 317 CO -0.01 0.26 0.53 -0.76 0.00 0.00 0.00 175.10 175.12 3k4n s LEU 318 N 1.26 4.79 -0.44 3.92 1.43 -0.03 -1.60 118.68 128.01 3k4n s LEU 318 Ca -0.00 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 3k4n s LEU 318 Cb -0.16 -2.50 0.41 0.00 0.03 0.00 0.00 46.19 43.97 3k4n s LEU 318 CO -0.07 -0.69 1.02 0.35 0.23 0.00 0.00 176.35 177.19 3k4n n THR 319 N 5.59 2.09 0.37 5.49 -2.24 0.50 -1.74 114.28 124.34 3k4n n THR 319 Ca -0.05 -4.70 0.11 0.00 -2.27 0.00 0.00 64.05 57.13 3k4n n THR 319 Cb 0.47 -0.87 0.17 0.00 -2.10 0.00 0.00 70.33 68.00 3k4n n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4n n ALA 320 N -0.30 2.41 0.00 6.98 0.00 -1.21 -4.28 120.51 124.11 3k4n n ALA 320 Ca 0.31 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3k4n n ALA 320 Cb 0.63 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3k4n n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4n n GLY 321 N 1.29 2.68 0.25 0.00 0.00 -1.26 -4.23 105.19 103.91 3k4n n GLY 321 Ca 0.16 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.50 3k4n n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n n ALA 322 N 0.87 0.06 0.01 4.61 0.00 -1.26 0.43 120.51 125.23 3k4n n ALA 322 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 54.02 3k4n n ALA 322 Cb 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 3k4n n ALA 322 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k4n h VAL 323 N 0.00 1.18 0.00 0.00 2.07 -1.96 -3.16 116.25 114.39 3k4n h VAL 323 Ca 0.28 -1.29 -0.19 0.00 0.82 0.00 0.00 66.70 66.32 3k4n h VAL 323 Cb 0.45 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3k4n h VAL 323 CO -0.67 0.30 -1.12 0.45 0.02 0.00 0.00 177.57 176.54 3k4n h HIS 324 N -0.73 0.00 -0.75 1.57 -0.00 -1.53 -0.23 115.15 113.48 3k4n h HIS 324 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.45 3k4n h HIS 324 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.91 3k4n h HIS 324 CO 0.11 0.78 0.40 -0.91 -0.00 0.00 0.00 177.93 178.31 3k4n h ASN 325 N 0.00 0.54 -0.33 2.45 4.21 -0.20 -2.01 115.58 120.25 3k4n h ASN 325 Ca -0.10 0.05 -0.12 0.00 1.21 0.00 0.00 56.30 57.34 3k4n h ASN 325 Cb 1.68 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.83 3k4n h ASN 325 CO 0.08 0.31 -0.23 0.74 -1.29 0.00 0.00 177.43 177.04 3k4n h THR 326 N 0.67 1.27 -0.23 2.81 2.02 -1.38 -3.09 112.91 115.00 3k4n h THR 326 Ca 0.36 -1.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.06 3k4n h THR 326 Cb 0.35 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3k4n h THR 326 CO -0.25 0.46 -0.36 -0.61 0.37 0.00 0.00 175.52 175.13 3k4n h GLN 327 N 0.71 0.49 -0.04 6.66 4.15 -0.83 -2.24 115.11 124.02 3k4n h GLN 327 Ca 0.09 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 3k4n h GLN 327 Cb 0.76 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3k4n h GLN 327 CO 0.06 0.78 -0.19 1.25 -1.93 0.00 0.00 178.83 178.81 3k4n h LEU 328 N 0.42 0.23 -1.34 -2.39 6.46 -1.35 -1.81 115.31 115.53 3k4n h LEU 328 Ca 0.04 -0.66 0.04 0.00 -0.12 0.00 0.00 57.88 57.19 3k4n h LEU 328 Cb 0.82 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 3k4n h LEU 328 CO 0.07 0.85 0.48 -0.07 -0.62 0.00 0.00 178.44 179.15 3k4n h LEU 329 N -0.37 0.73 -0.26 2.25 3.38 -1.53 -1.40 115.31 118.10 3k4n h LEU 329 Ca -0.01 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 3k4n h LEU 329 Cb 0.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3k4n h LEU 329 CO 0.04 0.50 -0.84 0.58 0.09 0.00 0.00 178.44 178.80 3k4n h VAL 330 N 0.85 1.38 0.00 1.22 2.07 -1.35 -0.21 116.25 120.21 3k4n h VAL 330 Ca 0.30 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.53 3k4n h VAL 330 Cb 0.11 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3k4n h VAL 330 CO -0.09 0.69 0.00 -3.20 0.02 0.00 0.00 177.57 174.99 3k4n n ASN 331 N -3.80 0.00 -0.45 0.57 5.15 -0.69 -2.60 115.26 113.44 3k4n n ASN 331 Ca -0.06 0.40 0.04 0.00 -0.60 0.00 0.00 54.58 54.36 3k4n n ASN 331 Cb 0.78 -0.44 0.11 0.00 -0.53 0.00 0.00 39.78 39.70 3k4n n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4n n SER 332 N -1.44 2.67 0.00 1.20 7.64 -0.60 -4.85 113.62 118.24 3k4n n SER 332 Ca 0.03 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.87 3k4n n SER 332 Cb 0.09 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3k4n n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4n n GLY 333 N 0.17 0.75 3.91 0.23 0.00 -1.07 -4.77 105.19 104.41 3k4n n GLY 333 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3k4n n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4n s PHE 334 N -2.57 3.44 0.00 1.61 0.40 -0.15 -4.90 117.98 115.81 3k4n s PHE 334 Ca 0.00 0.79 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 3k4n s PHE 334 Cb 0.00 -2.52 0.00 0.00 0.51 0.00 0.00 43.02 41.01 3k4n s PHE 334 CO 0.00 -0.54 0.00 0.41 0.70 0.00 0.00 175.22 175.79 3k4n n GLY 335 N -2.44 1.57 2.79 4.36 0.00 -0.70 -4.16 105.19 106.61 3k4n n GLY 335 Ca 0.03 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3k4n n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4n s GLN 336 N 0.00 0.86 0.20 1.61 0.74 -1.26 -4.75 119.66 117.06 3k4n s GLN 336 Ca 0.00 -0.18 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 3k4n s GLN 336 Cb 0.00 -1.52 -0.08 0.00 1.10 0.00 0.00 33.01 32.51 3k4n s GLN 336 CO 0.00 -0.41 1.17 -1.17 -0.55 0.00 0.00 175.29 174.33 3k4n s LEU 337 N 1.86 4.47 0.00 3.68 2.96 -1.26 -4.67 118.68 125.72 3k4n s LEU 337 Ca 0.03 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3k4n s LEU 337 Cb -0.14 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3k4n s LEU 337 CO -0.07 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 3k4n n GLY 338 N 2.00 0.96 3.70 7.98 0.00 0.16 -4.81 105.19 115.18 3k4n n GLY 338 Ca 0.03 -2.20 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 3k4n n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4n n ARG 339 N -0.34 2.56 -2.23 1.61 0.63 -1.26 -4.41 116.66 113.22 3k4n n ARG 339 Ca 0.00 0.92 -0.38 0.00 -0.92 0.00 0.00 57.85 57.47 3k4n n ARG 339 Cb 0.00 -2.75 -0.01 0.00 0.45 0.00 0.00 32.46 30.14 3k4n n ARG 339 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3k4n s PRO 340 N 1.31 3.98 -0.25 -0.14 0.04 -1.26 -4.99 135.00 133.69 3k4n s PRO 340 Ca 0.77 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.68 3k4n s PRO 340 Cb -0.56 -2.65 0.09 0.00 0.04 0.00 0.00 34.50 31.41 3k4n s PRO 340 CO 0.35 -0.40 0.12 1.21 0.04 0.00 0.00 177.00 178.32 3k4n s ASN 341 N -1.07 3.11 0.21 6.66 2.47 -1.26 -5.02 114.94 120.04 3k4n s ASN 341 Ca 0.58 -1.06 -0.04 0.00 0.42 0.00 0.00 52.86 52.76 3k4n s ASN 341 Cb -0.32 -0.29 0.18 0.00 -1.45 0.00 0.00 41.25 39.37 3k4n s ASN 341 CO 0.41 -0.41 1.62 1.55 -3.72 0.00 0.00 177.10 176.54 3k4n h PRO 342 N 8.41 0.75 0.00 0.43 0.13 -2.00 -1.56 132.00 138.16 3k4n h PRO 342 Ca -0.18 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3k4n h PRO 342 Cb 1.06 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3k4n h PRO 342 CO 0.39 0.93 0.00 0.00 -0.23 0.00 0.00 178.00 179.09 3k4n n ALA 343 N -2.50 1.63 -2.93 -0.56 0.00 -1.26 -3.07 120.51 111.81 3k4n n ALA 343 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 3k4n n ALA 343 Cb 0.45 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3k4n n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4n n ASN 344 N -0.79 -1.58 -4.79 0.00 4.05 -0.59 -5.15 115.26 106.42 3k4n n ASN 344 Ca 0.02 -3.08 -0.38 0.00 0.45 0.00 0.00 54.58 51.59 3k4n n ASN 344 Cb 0.01 0.81 -0.06 0.00 1.23 0.00 0.00 39.78 41.77 3k4n n ASN 344 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3k4n s PRO 345 N -0.14 4.48 0.81 1.20 0.04 -1.18 -4.74 135.00 135.47 3k4n s PRO 345 Ca 0.33 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 3k4n s PRO 345 Cb 0.21 -3.05 0.08 0.00 0.04 0.00 0.00 34.50 31.78 3k4n s PRO 345 CO -0.18 0.46 1.11 -1.25 0.04 0.00 0.00 177.00 177.18 3k4n s PRO 346 N -1.58 1.91 -0.15 0.56 0.04 -1.26 -4.96 135.00 129.55 3k4n s PRO 346 Ca 0.41 1.32 0.18 0.00 0.04 0.00 0.00 61.00 62.95 3k4n s PRO 346 Cb -0.20 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.24 3k4n s PRO 346 CO 0.24 -1.93 0.15 -1.91 0.04 0.00 0.00 177.00 173.60 3k4n n GLU 347 N -3.65 0.84 -3.13 4.56 4.07 -1.26 -4.53 120.64 117.55 3k4n n GLU 347 Ca 0.10 -0.05 -0.40 0.00 -0.06 0.00 0.00 57.16 56.75 3k4n n GLU 347 Cb 0.53 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.36 3k4n n GLU 347 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3k4n s LEU 348 N -5.17 4.11 -1.28 4.31 1.02 -1.26 -4.59 118.68 115.82 3k4n s LEU 348 Ca -0.09 0.76 -0.11 0.00 0.02 0.00 0.00 54.13 54.71 3k4n s LEU 348 Cb 0.07 -2.85 -0.00 0.00 0.02 0.00 0.00 46.19 43.43 3k4n s LEU 348 CO 0.79 -0.30 0.60 0.18 0.02 0.00 0.00 176.35 177.64 3k4n n LEU 349 N 5.29 -2.39 -0.33 1.79 4.77 -1.26 -1.71 117.00 123.16 3k4n n LEU 349 Ca -0.01 -1.03 0.08 0.00 -0.03 0.00 0.00 56.01 55.02 3k4n n LEU 349 Cb 0.49 -2.27 0.28 0.00 -2.33 0.00 0.00 43.42 39.59 3k4n n LEU 349 CO 0.43 0.47 1.23 1.55 -1.33 0.00 0.00 177.39 179.75 3k4n h PRO 350 N -1.92 0.89 0.00 3.23 0.13 -1.81 -1.56 132.00 130.96 3k4n h PRO 350 Ca -0.65 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 3k4n h PRO 350 Cb 1.37 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3k4n h PRO 350 CO 0.55 0.59 0.00 0.43 -0.23 0.00 0.00 178.00 179.34 3k4n n SER 351 N -4.60 0.33 -4.76 1.44 7.64 -1.26 -4.83 113.62 107.58 3k4n n SER 351 Ca 0.18 0.58 -0.41 0.00 1.01 0.00 0.00 58.87 60.22 3k4n n SER 351 Cb 0.38 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3k4n n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4n n LEU 352 N -1.86 4.48 0.00 -3.43 7.94 -0.59 -2.31 117.00 121.23 3k4n n LEU 352 Ca 0.03 1.22 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3k4n n LEU 352 Cb 0.21 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.57 3k4n n LEU 352 CO 0.17 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 3k4n n GLY 353 N 0.57 0.38 3.88 -3.96 0.00 0.48 -4.91 105.19 101.64 3k4n n GLY 353 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3k4n n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4n s SER 354 N -2.13 4.48 -1.20 1.61 0.01 -0.98 -0.17 113.70 115.32 3k4n s SER 354 Ca 0.00 -1.42 -0.05 0.00 1.31 0.00 0.00 55.95 55.79 3k4n s SER 354 Cb 0.00 0.60 0.03 0.00 0.21 0.00 0.00 66.02 66.86 3k4n s SER 354 CO 0.00 -1.10 0.28 -1.22 0.41 0.00 0.00 173.24 171.61 3k4n n TYR 355 N -1.67 -1.65 -2.47 2.43 4.02 -1.01 -4.43 117.16 112.39 3k4n n TYR 355 Ca -0.08 0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.65 3k4n n TYR 355 Cb 0.65 -3.00 -0.03 0.00 -0.02 0.00 0.00 39.34 36.94 3k4n n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4n s ILE 356 N -2.81 4.11 -0.08 -0.72 -4.36 -1.10 -4.47 121.20 111.78 3k4n s ILE 356 Ca 0.21 1.55 0.00 0.00 -0.26 0.00 0.00 60.65 62.15 3k4n s ILE 356 Cb -0.11 -3.99 -0.03 0.00 1.25 0.00 0.00 42.46 39.58 3k4n s ILE 356 CO 0.26 0.14 -0.07 0.42 0.24 0.00 0.00 174.94 175.93 3k4n s THR 357 N 0.89 3.69 0.04 8.37 -4.23 0.11 -4.66 115.64 119.86 3k4n s THR 357 Ca 0.57 -0.47 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 3k4n s THR 357 Cb -0.28 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 3k4n s THR 357 CO 0.30 0.58 -0.11 -0.70 -0.54 0.00 0.00 174.62 174.15 3k4n s GLU 358 N -0.62 0.72 0.01 3.99 2.56 -1.26 -0.23 118.70 123.86 3k4n s GLU 358 Ca 0.09 -0.76 -0.27 0.00 0.00 0.00 0.00 54.97 54.04 3k4n s GLU 358 Cb -0.12 -0.64 -0.04 0.00 2.00 0.00 0.00 34.13 35.33 3k4n s GLU 358 CO 0.02 0.15 0.84 -0.65 -0.56 0.00 0.00 175.26 175.05 3k4n s GLN 359 N -1.35 4.53 0.44 4.30 -0.21 -1.26 -4.59 119.66 121.51 3k4n s GLN 359 Ca -0.03 1.17 -0.24 0.00 0.02 0.00 0.00 55.36 56.28 3k4n s GLN 359 Cb -0.09 -3.42 -0.10 0.00 1.00 0.00 0.00 33.01 30.41 3k4n s GLN 359 CO 0.01 0.12 1.01 0.43 -2.12 0.00 0.00 175.29 174.74 3k4n n SER 360 N 3.39 1.24 -3.63 5.90 7.64 -1.26 -4.68 113.62 122.21 3k4n n SER 360 Ca 0.01 1.01 -0.19 0.00 1.01 0.00 0.00 58.87 60.72 3k4n n SER 360 Cb 0.51 -1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 62.19 3k4n n SER 360 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4n s LEU 361 N -0.68 -0.00 0.01 -3.43 2.96 -1.26 -1.72 118.68 114.56 3k4n s LEU 361 Ca 0.64 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.61 3k4n s LEU 361 Cb -0.54 0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.29 3k4n s LEU 361 CO 0.56 -0.27 0.17 0.68 -1.32 0.00 0.00 176.35 176.16 3k4n s VAL 362 N 2.26 5.25 0.03 1.68 -7.23 -0.79 -1.09 120.40 120.51 3k4n s VAL 362 Ca 0.04 -0.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.88 3k4n s VAL 362 Cb -0.13 -3.47 -0.02 0.00 0.56 0.00 0.00 36.38 33.32 3k4n s VAL 362 CO -0.07 0.27 0.05 0.12 -0.31 0.00 0.00 175.10 175.16 3k4n s PHE 363 N -1.35 0.25 0.19 2.82 5.36 0.76 -1.54 117.98 124.47 3k4n s PHE 363 Ca 0.28 -0.58 -0.22 0.00 -0.96 0.00 0.00 56.93 55.46 3k4n s PHE 363 Cb -0.13 -0.19 0.07 0.00 -0.34 0.00 0.00 43.02 42.44 3k4n s PHE 363 CO 0.20 -0.32 1.00 0.00 -1.46 0.00 0.00 175.22 174.64 3k4n s GLN 365 N -2.46 0.45 0.13 0.00 -0.21 -0.64 -1.73 119.66 115.20 3k4n s GLN 365 Ca 0.19 -0.19 0.07 0.00 0.02 0.00 0.00 55.36 55.45 3k4n s GLN 365 Cb -0.02 -0.44 -0.04 0.00 1.00 0.00 0.00 33.01 33.51 3k4n s GLN 365 CO 0.05 0.11 -0.05 0.95 -2.12 0.00 0.00 175.29 174.24 3k4n s THR 366 N -0.09 3.60 -0.26 -0.19 -4.23 -0.56 0.11 115.64 114.01 3k4n s THR 366 Ca 0.02 -1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 3k4n s THR 366 Cb -0.03 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 3k4n s THR 366 CO -0.00 0.02 0.17 -0.69 -0.54 0.00 0.00 174.62 173.57 3k4n s VAL 367 N -1.46 5.22 0.57 2.29 1.01 -0.27 -2.09 120.40 125.67 3k4n s VAL 367 Ca 0.25 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3k4n s VAL 367 Cb -0.10 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3k4n s VAL 367 CO 0.16 0.29 1.10 0.80 0.00 0.00 0.00 175.10 177.46 3k4n n MET 368 N 4.80 1.18 -2.26 2.72 1.56 0.13 -3.67 117.12 121.58 3k4n n MET 368 Ca -0.15 0.45 -0.37 0.00 -0.27 0.00 0.00 57.70 57.37 3k4n n MET 368 Cb 0.52 -2.29 -0.01 0.00 2.15 0.00 0.00 33.22 33.59 3k4n n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4n s SER 369 N -1.10 6.08 0.19 6.12 1.04 0.43 -4.90 113.70 121.55 3k4n s SER 369 Ca 0.74 2.28 -0.13 0.00 0.48 0.00 0.00 55.95 59.32 3k4n s SER 369 Cb -0.43 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.30 3k4n s SER 369 CO 0.48 -0.98 1.69 0.74 0.98 0.00 0.00 173.24 176.16 3k4n h THR 370 N 1.73 0.63 -0.82 2.02 2.02 -1.91 -1.05 112.91 115.54 3k4n h THR 370 Ca -0.49 -0.06 0.20 0.00 0.77 0.00 0.00 66.41 66.83 3k4n h THR 370 Cb 1.25 0.46 -0.14 0.00 -1.74 0.00 0.00 68.15 67.98 3k4n h THR 370 CO 0.59 0.03 0.10 -0.08 0.37 0.00 0.00 175.52 176.54 3k4n h GLU 371 N 0.16 0.14 0.00 6.66 4.81 -1.97 -0.06 114.58 124.33 3k4n h GLU 371 Ca 0.26 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 3k4n h GLU 371 Cb 0.39 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3k4n h GLU 371 CO -0.40 0.09 -0.62 -0.07 -0.73 0.00 0.00 179.01 177.28 3k4n h LEU 372 N 0.15 0.00 0.06 1.64 3.38 -1.58 -1.77 115.31 117.19 3k4n h LEU 372 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 3k4n h LEU 372 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3k4n h LEU 372 CO -0.67 0.62 -0.03 0.40 0.09 0.00 0.00 178.44 178.86 3k4n h ILE 373 N 0.00 1.22 -1.02 1.22 1.08 -0.63 -2.97 117.51 116.42 3k4n h ILE 373 Ca -0.01 -1.01 0.25 0.00 -0.39 0.00 0.00 64.86 63.70 3k4n h ILE 373 Cb 1.30 1.88 -0.09 0.00 -3.07 0.00 0.00 36.82 36.84 3k4n h ILE 373 CO 0.08 0.25 0.65 0.44 -0.69 0.00 0.00 178.15 178.88 3k4n h ASP 374 N -0.54 0.49 -0.33 1.72 3.32 -0.98 -2.60 116.42 117.50 3k4n h ASP 374 Ca -0.01 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3k4n h ASP 374 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3k4n h ASP 374 CO 0.01 0.12 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.32 3k4n h SER 375 N 0.44 0.62 -0.79 6.45 0.87 -1.17 -2.37 113.55 117.61 3k4n h SER 375 Ca 0.58 -0.34 0.29 0.00 -1.23 0.00 0.00 61.79 61.08 3k4n h SER 375 Cb 1.39 -0.17 -0.14 0.00 -0.44 0.00 0.00 62.40 63.04 3k4n h SER 375 CO -0.30 0.82 0.27 0.52 -0.53 0.00 0.00 176.83 177.61 3k4n n VAL 376 N -4.47 -0.33 -0.96 2.23 0.31 -0.98 -2.01 118.33 112.13 3k4n n VAL 376 Ca -0.02 1.65 0.08 0.00 -0.01 0.00 0.00 64.34 66.04 3k4n n VAL 376 Cb 0.31 -2.57 0.27 0.00 -0.91 0.00 0.00 33.84 30.94 3k4n n VAL 376 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3k4n n LYS 377 N -4.90 3.04 0.23 5.55 2.85 -0.91 -4.66 118.16 119.36 3k4n n LYS 377 Ca 0.26 -2.84 0.07 0.00 -1.05 0.00 0.00 58.31 54.74 3k4n n LYS 377 Cb 0.86 -1.85 0.57 0.00 -0.65 0.00 0.00 35.03 33.96 3k4n n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4n h SER 378 N 1.95 0.02 1.41 -5.58 4.64 -1.27 -1.49 113.55 113.23 3k4n h SER 378 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k4n h SER 378 Cb 1.45 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3k4n h SER 378 CO 0.23 0.10 0.00 0.47 -0.87 0.00 0.00 176.83 176.76 3k4n n ASP 379 N -4.44 0.73 -4.84 4.97 8.00 -1.26 -4.90 116.55 114.80 3k4n n ASP 379 Ca -0.03 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.72 3k4n n ASP 379 Cb 0.16 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 3k4n n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4n s MET 380 N -3.09 4.10 -0.42 -1.24 -1.94 -0.56 -4.65 119.30 111.50 3k4n s MET 380 Ca 0.11 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 54.99 3k4n s MET 380 Cb 0.13 -2.29 0.11 0.00 2.01 0.00 0.00 34.83 34.80 3k4n s MET 380 CO 0.58 0.03 0.18 0.99 -0.01 0.00 0.00 175.02 176.79 3k4n s THR 381 N -2.13 2.89 -0.13 2.05 2.01 -0.39 -4.94 115.64 115.00 3k4n s THR 381 Ca 0.58 -2.39 -0.17 0.00 0.31 0.00 0.00 61.69 60.02 3k4n s THR 381 Cb -0.10 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3k4n s THR 381 CO 0.17 -0.69 0.43 -0.63 -0.69 0.00 0.00 174.62 173.21 3k4n s ILE 382 N 0.78 5.21 0.12 1.82 1.09 -1.26 -2.58 121.20 126.39 3k4n s ILE 382 Ca 0.11 0.85 0.04 0.00 -1.10 0.00 0.00 60.65 60.55 3k4n s ILE 382 Cb -0.21 -3.77 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 3k4n s ILE 382 CO -0.05 0.35 -0.10 -0.13 -0.10 0.00 0.00 174.94 174.90 3k4n s ARG 383 N 0.55 0.94 0.82 2.79 0.52 0.42 -5.00 118.95 119.99 3k4n s ARG 383 Ca 0.24 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 3k4n s ARG 383 Cb -0.15 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.76 3k4n s ARG 383 CO 0.09 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3k4n n GLY 384 N 0.21 -2.07 3.31 -3.53 0.00 -1.26 -1.38 105.19 100.47 3k4n n GLY 384 Ca -0.13 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 3k4n n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4n s THR 385 N -0.04 2.50 0.37 2.61 -4.23 -1.26 -4.92 115.64 110.67 3k4n s THR 385 Ca 0.00 -0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 59.37 3k4n s THR 385 Cb 0.00 -1.98 -0.12 0.00 1.34 0.00 0.00 72.50 71.74 3k4n s THR 385 CO 0.00 0.56 0.95 -2.65 -0.54 0.00 0.00 174.62 172.94 3k4n n PRO 386 N 3.19 1.26 0.00 3.99 -0.02 -1.26 -1.92 135.00 140.24 3k4n n PRO 386 Ca -0.18 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3k4n n PRO 386 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3k4n n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4n n GLY 387 N 1.27 3.24 3.94 -1.23 0.00 -1.26 -5.00 105.19 106.15 3k4n n GLY 387 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3k4n n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4n s GLU 388 N -0.52 2.31 0.22 1.61 2.02 -0.81 -5.01 118.70 118.52 3k4n s GLU 388 Ca 0.00 -0.42 0.23 0.00 0.02 0.00 0.00 54.97 54.80 3k4n s GLU 388 Cb 0.00 -2.27 0.16 0.00 0.10 0.00 0.00 34.13 32.12 3k4n s GLU 388 CO 0.00 -1.07 1.22 1.37 0.02 0.00 0.00 175.26 176.80 3k4n h LEU 389 N -0.39 0.00 0.00 1.80 -0.00 -1.95 -3.20 115.31 111.56 3k4n h LEU 389 Ca -0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 3k4n h LEU 389 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 3k4n h LEU 389 CO 0.58 0.03 0.00 0.35 -0.00 0.00 0.00 178.44 179.40 3k4n n THR 390 N -2.59 0.43 -2.81 0.15 -2.24 -1.26 -4.93 114.28 101.03 3k4n n THR 390 Ca 0.02 0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.50 3k4n n THR 390 Cb 0.52 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 3k4n n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4n s TYR 391 N -2.90 3.82 -0.10 4.78 5.04 -1.21 -4.55 117.35 122.23 3k4n s TYR 391 Ca 0.13 1.73 -0.17 0.00 -2.44 0.00 0.00 57.07 56.32 3k4n s TYR 391 Cb 0.15 -2.97 0.04 0.00 0.35 0.00 0.00 41.96 39.52 3k4n s TYR 391 CO 0.39 0.27 0.43 -1.54 -1.34 0.00 0.00 175.55 173.76 3k4n s SER 392 N -0.22 -0.40 -0.06 4.32 1.04 -0.48 -4.99 113.70 112.91 3k4n s SER 392 Ca 0.44 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.50 3k4n s SER 392 Cb -0.23 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3k4n s SER 392 CO 0.28 -0.30 -0.10 -0.69 0.98 0.00 0.00 173.24 173.40 3k4n s VAL 393 N -0.44 0.98 0.06 5.02 1.01 -1.26 -0.43 120.40 125.34 3k4n s VAL 393 Ca -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3k4n s VAL 393 Cb -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3k4n s VAL 393 CO 0.03 0.32 0.02 0.42 0.00 0.00 0.00 175.10 175.88 3k4n s THR 394 N 0.63 0.20 0.03 3.92 -4.23 -1.06 -4.94 115.64 110.19 3k4n s THR 394 Ca -0.12 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 3k4n s THR 394 Cb -0.15 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3k4n s THR 394 CO 0.03 -0.92 0.18 -0.72 -0.54 0.00 0.00 174.62 172.65 3k4n s TYR 395 N -3.89 0.05 -0.59 3.99 1.13 -1.26 -1.26 117.35 115.53 3k4n s TYR 395 Ca 0.06 -0.24 -0.21 0.00 -1.41 0.00 0.00 57.07 55.27 3k4n s TYR 395 Cb 0.07 -0.04 0.07 0.00 -1.10 0.00 0.00 41.96 40.96 3k4n s TYR 395 CO -0.10 -0.39 0.83 0.99 -2.51 0.00 0.00 175.55 174.37 3k4n s THR 396 N -2.27 4.56 0.35 -3.49 2.01 -1.26 -5.03 115.64 110.51 3k4n s THR 396 Ca -0.07 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 3k4n s THR 396 Cb -0.03 -4.53 -0.10 0.00 0.01 0.00 0.00 72.50 67.86 3k4n s THR 396 CO -0.02 -1.17 1.27 -2.84 -0.69 0.00 0.00 174.62 171.17 3k4n s PRO 397 N 3.45 4.25 0.00 4.92 0.02 -1.26 -2.32 135.00 144.06 3k4n s PRO 397 Ca 0.20 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3k4n s PRO 397 Cb -0.18 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3k4n s PRO 397 CO 0.12 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3k4n n GLY 398 N 0.78 2.80 3.70 0.52 0.00 -1.26 -4.98 105.19 106.75 3k4n n GLY 398 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3k4n n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n n ALA 399 N -0.22 2.08 0.23 4.61 0.00 -0.98 -4.82 120.51 121.41 3k4n n ALA 399 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.96 3k4n n ALA 399 Cb 0.00 -2.43 0.52 0.00 0.00 0.00 0.00 19.45 17.54 3k4n n ALA 399 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4n h SER 400 N 6.02 0.00 0.49 0.00 4.64 -1.94 -2.18 113.55 120.59 3k4n h SER 400 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3k4n h SER 400 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3k4n h SER 400 CO 0.90 0.22 -0.00 0.35 -0.87 0.00 0.00 176.83 177.42 3k4n n THR 401 N -3.50 0.00 -1.84 2.95 -2.24 -1.26 -4.85 114.28 103.54 3k4n n THR 401 Ca -0.01 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 3k4n n THR 401 Cb 0.38 -0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.14 3k4n n THR 401 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k4n s ASN 402 N -2.50 5.73 0.10 3.42 0.01 -0.82 -4.94 114.94 115.95 3k4n s ASN 402 Ca 0.31 2.82 0.19 0.00 -0.71 0.00 0.00 52.86 55.47 3k4n s ASN 402 Cb 0.20 -2.64 -0.10 0.00 0.41 0.00 0.00 41.25 39.12 3k4n s ASN 402 CO 0.45 -1.26 0.87 0.29 -1.51 0.00 0.00 177.10 175.94 3k4n n LYS 403 N -0.44 0.62 -4.44 -0.60 5.02 -1.26 -4.91 118.16 112.15 3k4n n LYS 403 Ca 0.07 0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 56.28 3k4n n LYS 403 Cb 0.43 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 3k4n n LYS 403 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3k4n s HIS 404 N -3.10 2.40 0.94 2.13 3.76 -1.26 -5.14 115.29 115.03 3k4n s HIS 404 Ca -0.02 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.40 3k4n s HIS 404 Cb 0.09 -1.13 0.16 0.00 1.11 0.00 0.00 32.58 32.81 3k4n s HIS 404 CO 0.81 0.66 1.17 -2.14 -0.85 0.00 0.00 174.74 174.39 3k4n s PRO 405 N -3.57 0.86 0.44 8.40 0.02 -1.26 -4.88 135.00 135.02 3k4n s PRO 405 Ca 0.31 0.12 0.20 0.00 0.02 0.00 0.00 61.00 61.66 3k4n s PRO 405 Cb -0.04 -1.82 1.04 0.00 0.02 0.00 0.00 34.50 33.70 3k4n s PRO 405 CO 0.16 -2.35 1.93 -0.44 -0.33 0.00 0.00 177.00 175.97 3k4n h ASP 406 N -1.61 0.00 -0.10 2.53 3.32 -1.99 -2.60 116.42 115.98 3k4n h ASP 406 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 3k4n h ASP 406 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 3k4n h ASP 406 CO 0.55 0.24 -0.12 4.11 -1.72 0.00 0.00 179.24 182.30 3k4n h TRP 407 N 0.00 0.31 0.38 4.55 5.08 -1.98 -0.90 115.95 123.40 3k4n h TRP 407 Ca -0.00 -0.10 -0.01 0.00 1.08 0.00 0.00 58.89 59.86 3k4n h TRP 407 Cb 0.53 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.61 3k4n h TRP 407 CO 0.00 0.71 -0.38 2.35 -1.28 0.00 0.00 178.44 179.83 3k4n h TRP 408 N -0.17 -1.06 -0.92 0.12 2.91 -1.87 -1.50 115.95 113.46 3k4n h TRP 408 Ca 0.01 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.13 3k4n h TRP 408 Cb 0.66 0.41 -0.07 0.00 -0.51 0.00 0.00 29.16 29.65 3k4n h TRP 408 CO 0.10 -0.51 0.57 -0.91 -1.03 0.00 0.00 178.44 176.65 3k4n h ASN 409 N -0.76 0.85 -0.61 2.65 2.35 -1.56 0.13 115.58 118.63 3k4n h ASN 409 Ca -0.05 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3k4n h ASN 409 Cb 0.66 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 3k4n h ASN 409 CO -0.04 0.50 0.34 -0.08 -1.65 0.00 0.00 177.43 176.50 3k4n h GLU 410 N 0.96 0.86 -0.19 0.81 4.57 -0.98 0.16 114.58 120.77 3k4n h GLU 410 Ca 0.43 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.45 3k4n h GLU 410 Cb 0.33 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3k4n h GLU 410 CO -0.23 0.63 -0.16 0.87 -1.18 0.00 0.00 179.01 178.95 3k4n h LYS 411 N 0.87 0.44 -0.45 1.92 1.57 -0.11 -2.14 116.57 118.68 3k4n h LYS 411 Ca 0.22 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3k4n h LYS 411 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3k4n h LYS 411 CO -0.04 0.78 0.17 0.28 -0.57 0.00 0.00 179.45 180.07 3k4n h VAL 412 N 0.11 1.21 0.01 0.50 2.07 -0.62 0.99 116.25 120.52 3k4n h VAL 412 Ca 0.03 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3k4n h VAL 412 Cb 0.69 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3k4n h VAL 412 CO 0.04 0.24 -0.12 0.50 0.02 0.00 0.00 177.57 178.25 3k4n h LYS 413 N 0.58 -0.20 -0.43 1.57 3.64 -0.78 -1.21 116.57 119.73 3k4n h LYS 413 Ca 0.15 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3k4n h LYS 413 Cb 0.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3k4n h LYS 413 CO -0.01 -0.14 0.19 -0.91 -2.27 0.00 0.00 179.45 176.31 3k4n h ASN 414 N -0.21 0.59 -0.74 4.20 2.35 -1.09 -0.07 115.58 120.60 3k4n h ASN 414 Ca 0.04 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3k4n h ASN 414 Cb 0.26 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3k4n h ASN 414 CO -0.12 0.58 0.40 -0.74 -1.65 0.00 0.00 177.43 175.90 3k4n h HIS 415 N 0.56 1.03 0.00 1.19 2.76 -0.69 -0.71 115.15 119.29 3k4n h HIS 415 Ca 0.15 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 3k4n h HIS 415 Cb 0.16 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3k4n h HIS 415 CO -0.00 0.73 -0.56 0.52 -1.30 0.00 0.00 177.93 177.32 3k4n h MET 416 N 1.03 0.00 0.08 5.26 2.86 -0.83 -0.85 114.93 122.47 3k4n h MET 416 Ca 0.26 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.57 3k4n h MET 416 Cb 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3k4n h MET 416 CO -0.04 0.56 -1.79 0.52 1.06 0.00 0.00 176.91 177.22 3k4n h MET 417 N 0.00 0.17 0.00 1.72 2.07 -0.89 -3.24 114.93 114.77 3k4n h MET 417 Ca -0.01 -0.29 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 3k4n h MET 417 Cb 1.29 0.11 0.00 0.00 -1.87 0.00 0.00 31.60 31.13 3k4n h MET 417 CO 0.07 0.95 -0.16 1.96 1.07 0.00 0.00 176.91 180.80 3k4n h GLN 418 N 0.05 0.00 -2.04 1.72 4.20 -1.20 -3.36 115.11 114.48 3k4n h GLN 418 Ca -0.33 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.86 3k4n h GLN 418 Cb 2.02 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 29.40 3k4n h GLN 418 CO 0.10 0.00 -1.09 0.72 -0.67 0.00 0.00 178.83 177.90 3k4n n HIS 419 N -2.36 0.63 0.02 2.96 8.25 -0.33 -4.93 115.22 119.46 3k4n n HIS 419 Ca 0.05 -3.79 0.14 0.00 -0.26 0.00 0.00 57.72 53.86 3k4n n HIS 419 Cb 0.45 -0.42 0.60 0.00 1.12 0.00 0.00 29.99 31.74 3k4n n HIS 419 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3k4n h GLN 420 N 3.31 0.17 -0.22 -0.41 4.20 -1.71 -0.94 115.11 119.52 3k4n h GLN 420 Ca 0.10 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3k4n h GLN 420 Cb 0.88 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3k4n h GLN 420 CO 0.54 0.11 0.19 1.05 -0.67 0.00 0.00 178.83 180.06 3k4n h GLU 421 N 0.18 0.00 -5.77 1.46 9.09 -1.91 -3.43 114.58 114.20 3k4n h GLU 421 Ca 0.21 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.03 3k4n h GLU 421 Cb 0.59 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.62 3k4n h GLU 421 CO -0.03 0.00 -0.18 0.34 0.05 0.00 0.00 179.01 179.19 3k4n s ASP 422 N -6.21 6.68 0.00 3.06 2.15 -0.36 -5.00 116.67 116.99 3k4n s ASP 422 Ca -0.05 0.81 0.17 0.00 0.43 0.00 0.00 52.55 53.92 3k4n s ASP 422 Cb 0.17 -2.26 0.60 0.00 -0.30 0.00 0.00 42.92 41.12 3k4n s ASP 422 CO 0.62 0.10 1.45 -0.81 -0.17 0.00 0.00 175.17 176.36 3k4n n PRO 423 N 3.19 1.77 -4.91 4.34 -0.04 -1.26 -4.90 135.00 133.18 3k4n n PRO 423 Ca -0.09 -1.17 -0.31 0.00 -0.04 0.00 0.00 63.50 61.89 3k4n n PRO 423 Cb 0.52 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 3k4n n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4n s LEU 424 N -1.37 2.29 0.00 1.53 1.43 -1.26 -5.03 118.68 116.27 3k4n s LEU 424 Ca 0.29 -0.51 0.30 0.00 -1.03 0.00 0.00 54.13 53.19 3k4n s LEU 424 Cb 0.16 -1.37 1.57 0.00 0.03 0.00 0.00 46.19 46.59 3k4n s LEU 424 CO 0.23 0.27 2.06 -0.81 0.23 0.00 0.00 176.35 178.34 3k4n n PRO 425 N 1.86 0.69 -2.60 1.29 -0.04 -1.26 -4.83 135.00 130.12 3k4n n PRO 425 Ca -0.17 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 3k4n n PRO 425 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 3k4n n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4n s ILE 426 N -2.36 4.56 1.06 0.52 1.01 -1.26 -4.52 121.20 120.22 3k4n s ILE 426 Ca 0.35 1.85 -0.12 0.00 0.00 0.00 0.00 60.65 62.73 3k4n s ILE 426 Cb 0.21 -4.19 0.23 0.00 0.01 0.00 0.00 42.46 38.72 3k4n s ILE 426 CO 0.43 0.04 1.06 -2.84 0.00 0.00 0.00 174.94 173.64 3k4n s PRO 427 N 1.77 -0.10 0.01 2.79 0.02 -1.26 -4.94 135.00 133.29 3k4n s PRO 427 Ca 0.52 0.80 -0.21 0.00 0.02 0.00 0.00 61.00 62.13 3k4n s PRO 427 Cb -0.22 -1.65 -0.19 0.00 0.02 0.00 0.00 34.50 32.46 3k4n s PRO 427 CO 0.22 -3.16 1.21 0.74 -0.33 0.00 0.00 177.00 175.68 3k4n h PHE 428 N -2.22 0.41 -0.95 6.54 0.04 -1.97 -3.08 116.94 115.71 3k4n h PHE 428 Ca -0.57 -0.17 -0.59 0.00 2.80 0.00 0.00 57.97 59.44 3k4n h PHE 428 Cb 1.32 -0.07 -0.28 0.00 2.20 0.00 0.00 35.95 39.12 3k4n h PHE 428 CO 0.31 0.88 0.76 0.39 -0.60 0.00 0.00 178.31 180.05 3k4n n GLU 429 N -4.48 2.46 -1.68 1.51 1.02 -1.26 -4.98 120.64 113.24 3k4n n GLU 429 Ca -0.08 -3.03 -0.45 0.00 -0.02 0.00 0.00 57.16 53.58 3k4n n GLU 429 Cb 0.46 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 3k4n n GLU 429 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k4n n ASP 430 N -0.88 3.05 -4.73 1.62 2.03 -1.17 -4.93 116.55 111.55 3k4n n ASP 430 Ca 0.59 1.11 -0.32 0.00 0.52 0.00 0.00 54.79 56.68 3k4n n ASP 430 Cb 0.97 -1.44 0.11 0.00 -0.72 0.00 0.00 41.12 40.04 3k4n n ASP 430 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3k4n s PRO 431 N 0.36 1.92 0.43 -0.67 0.02 -1.26 -5.01 135.00 130.79 3k4n s PRO 431 Ca 0.74 1.47 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3k4n s PRO 431 Cb -0.65 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 3k4n s PRO 431 CO 0.43 -1.94 0.65 -1.83 -0.33 0.00 0.00 177.00 173.98 3k4n s GLU 432 N -4.46 3.14 0.40 5.54 1.03 -1.26 -4.47 118.70 118.62 3k4n s GLU 432 Ca 0.67 -0.45 -0.23 0.00 0.03 0.00 0.00 54.97 54.99 3k4n s GLU 432 Cb -0.22 -2.57 -0.10 0.00 -0.80 0.00 0.00 34.13 30.44 3k4n s GLU 432 CO 0.52 -0.20 0.99 -1.25 -1.33 0.00 0.00 175.26 173.99 3k4n s PRO 433 N -4.52 4.25 -0.46 -4.83 0.04 -1.26 -4.68 135.00 123.54 3k4n s PRO 433 Ca 0.47 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.92 3k4n s PRO 433 Cb -0.10 -2.46 0.24 0.00 0.04 0.00 0.00 34.50 32.23 3k4n s PRO 433 CO 0.38 -0.03 0.57 1.04 0.04 0.00 0.00 177.00 179.00 3k4n n GLN 434 N -0.17 1.19 -3.77 4.56 1.13 -1.26 -3.68 117.38 115.38 3k4n n GLN 434 Ca 0.05 -3.63 -0.32 0.00 -1.94 0.00 0.00 57.00 51.16 3k4n n GLN 434 Cb 0.51 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 29.28 3k4n n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4n s VAL 435 N -1.46 5.26 -0.05 5.09 1.01 -0.35 -1.74 120.40 128.16 3k4n s VAL 435 Ca 0.36 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 3k4n s VAL 435 Cb 0.15 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.94 3k4n s VAL 435 CO -0.09 0.10 0.32 0.28 0.00 0.00 0.00 175.10 175.72 3k4n s THR 436 N -1.57 0.04 -0.15 3.92 -1.32 0.26 -0.05 115.64 116.76 3k4n s THR 436 Ca 0.38 -0.33 -0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3k4n s THR 436 Cb -0.13 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.28 3k4n s THR 436 CO 0.25 -0.18 -0.14 0.28 -2.21 0.00 0.00 174.62 172.62 3k4n s THR 437 N -0.89 2.79 0.45 5.08 -1.32 -1.25 -0.75 115.64 119.75 3k4n s THR 437 Ca -0.10 -0.73 -0.22 0.00 -1.21 0.00 0.00 61.69 59.44 3k4n s THR 437 Cb -0.04 -2.18 -0.09 0.00 -1.51 0.00 0.00 72.50 68.67 3k4n s THR 437 CO 0.03 0.51 1.03 -0.76 -2.21 0.00 0.00 174.62 173.22 3k4n s LEU 438 N 0.75 3.95 0.06 9.08 1.43 -1.26 -3.63 118.68 129.06 3k4n s LEU 438 Ca -0.06 1.93 -0.19 0.00 -1.03 0.00 0.00 54.13 54.79 3k4n s LEU 438 Cb -0.15 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.53 3k4n s LEU 438 CO 0.01 -0.64 0.43 0.33 0.23 0.00 0.00 176.35 176.71 3k4n n PHE 439 N -0.64 0.02 -3.79 0.29 -0.00 -1.19 -4.95 117.46 107.19 3k4n n PHE 439 Ca 0.08 0.56 -0.11 0.00 -0.00 0.00 0.00 57.45 57.98 3k4n n PHE 439 Cb 0.52 -1.12 -0.08 0.00 -0.00 0.00 0.00 39.48 38.80 3k4n n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4n s GLN 440 N -0.30 0.74 0.29 -4.13 -1.52 -0.85 -4.96 119.66 108.92 3k4n s GLN 440 Ca 0.42 -0.52 0.04 0.00 -1.95 0.00 0.00 55.36 53.36 3k4n s GLN 440 Cb -0.60 0.32 0.76 0.00 -0.22 0.00 0.00 33.01 33.26 3k4n s GLN 440 CO 0.31 -0.23 1.42 -2.30 -0.25 0.00 0.00 175.29 174.25 3k4n n PRO 441 N 0.71 -0.07 0.17 2.91 -0.02 -1.26 -0.64 135.00 136.80 3k4n n PRO 441 Ca -0.19 1.34 0.13 0.00 -2.02 0.00 0.00 63.50 62.76 3k4n n PRO 441 Cb 0.59 -2.17 0.30 0.00 -0.02 0.00 0.00 33.50 32.20 3k4n n PRO 441 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k4n h SER 442 N 0.00 0.00 -2.06 2.55 4.64 -2.00 -3.35 113.55 113.33 3k4n h SER 442 Ca 0.58 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.37 3k4n h SER 442 Cb 1.25 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.98 3k4n h SER 442 CO -0.83 0.00 -0.96 0.00 -0.87 0.00 0.00 176.83 174.17 3k4n n HIS 443 N -2.70 -1.11 -0.86 4.77 1.44 0.19 -5.05 115.22 111.89 3k4n n HIS 443 Ca 0.05 -3.16 -0.25 0.00 -2.01 0.00 0.00 57.72 52.34 3k4n n HIS 443 Cb 0.47 0.24 -0.02 0.00 0.12 0.00 0.00 29.99 30.79 3k4n n HIS 443 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3k4n n PRO 444 N 2.39 2.41 -3.60 -1.40 -0.04 -0.41 -2.01 135.00 132.34 3k4n n PRO 444 Ca 0.26 -1.58 -0.12 0.00 -0.04 0.00 0.00 63.50 62.01 3k4n n PRO 444 Cb 0.51 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.42 3k4n n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4n s TRP 445 N 3.04 -0.31 0.29 0.54 -2.14 -1.26 -4.24 118.94 114.86 3k4n s TRP 445 Ca 0.47 0.14 -0.11 0.00 2.66 0.00 0.00 56.10 59.26 3k4n s TRP 445 Cb 0.12 0.30 -0.07 0.00 -3.10 0.00 0.00 33.47 30.72 3k4n s TRP 445 CO -0.04 -0.68 0.64 -1.58 -2.66 0.00 0.00 176.95 172.63 3k4n s HIS 446 N -3.20 3.42 -0.02 1.66 5.65 -0.22 -3.20 115.29 119.37 3k4n s HIS 446 Ca -0.01 0.98 0.01 0.00 0.25 0.00 0.00 55.06 56.30 3k4n s HIS 446 Cb 0.00 -2.36 0.01 0.00 -1.18 0.00 0.00 32.58 29.06 3k4n s HIS 446 CO -0.08 0.16 -0.03 0.95 -0.65 0.00 0.00 174.74 175.09 3k4n s THR 447 N -1.96 0.34 -0.10 0.89 -4.23 -1.24 -0.25 115.64 109.10 3k4n s THR 447 Ca 0.50 -0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.94 3k4n s THR 447 Cb -0.11 -0.37 0.02 0.00 1.34 0.00 0.00 72.50 73.39 3k4n s THR 447 CO 0.22 0.15 -0.12 -1.10 -0.54 0.00 0.00 174.62 173.24 3k4n s GLN 448 N 0.57 1.80 -0.34 3.99 -0.21 -0.33 -3.97 119.66 121.18 3k4n s GLN 448 Ca -0.06 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 54.93 3k4n s GLN 448 Cb -0.10 -1.62 0.09 0.00 1.00 0.00 0.00 33.01 32.38 3k4n s GLN 448 CO -0.01 -0.11 0.05 0.42 -2.12 0.00 0.00 175.29 173.53 3k4n s ILE 449 N 1.14 2.50 0.00 1.08 1.09 0.93 -1.25 121.20 126.70 3k4n s ILE 449 Ca -0.05 -2.12 0.00 0.00 -1.10 0.00 0.00 60.65 57.38 3k4n s ILE 449 Cb -0.14 -2.74 0.00 0.00 -1.06 0.00 0.00 42.46 38.52 3k4n s ILE 449 CO -0.02 -0.50 0.00 0.00 -0.10 0.00 0.00 174.94 174.32 3k4n n HIS 450 N 4.37 0.00 -3.67 3.97 1.44 0.22 -1.21 115.22 120.34 3k4n n HIS 450 Ca -0.01 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.50 3k4n n HIS 450 Cb 0.42 0.00 -0.18 0.00 0.12 0.00 0.00 29.99 30.35 3k4n n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4n s ARG 451 N 1.11 -0.06 0.10 -1.40 1.81 -1.24 0.16 118.95 119.43 3k4n s ARG 451 Ca 0.00 0.37 0.03 0.00 -1.72 0.00 0.00 55.73 54.40 3k4n s ARG 451 Cb 0.00 -0.58 -0.04 0.00 -0.45 0.00 0.00 34.95 33.88 3k4n s ARG 451 CO 0.00 -0.35 -0.08 0.34 -0.68 0.00 0.00 175.30 174.53 3k4n s ASP 452 N 2.18 1.34 0.00 0.23 2.15 -1.26 -5.03 116.67 116.28 3k4n s ASP 452 Ca 0.05 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.10 3k4n s ASP 452 Cb -0.12 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 3k4n s ASP 452 CO -0.04 -0.37 0.00 0.00 -0.17 0.00 0.00 175.17 174.60 3k4n n ALA 453 N 0.18 -0.98 -3.18 3.66 0.00 -1.26 -4.89 120.51 114.04 3k4n n ALA 453 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 3k4n n ALA 453 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 3k4n n ALA 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k4n s ALA 454 N -0.88 3.53 -1.02 0.00 0.00 -1.26 -4.91 121.76 117.22 3k4n s ALA 454 Ca 0.00 -2.33 -0.17 0.00 0.00 0.00 0.00 51.96 49.46 3k4n s ALA 454 Cb 0.00 -3.05 0.14 0.00 0.00 0.00 0.00 23.12 20.21 3k4n s ALA 454 CO 0.00 -1.85 1.23 0.00 0.00 0.00 0.00 175.76 175.15 3k4n s ALA 455 N 1.56 3.52 -0.43 0.00 0.00 -1.26 -4.74 121.76 120.41 3k4n s ALA 455 Ca 0.04 -2.92 -0.27 0.00 0.00 0.00 0.00 51.96 48.81 3k4n s ALA 455 Cb -0.26 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.72 3k4n s ALA 455 CO 0.04 -2.95 2.13 0.00 0.00 0.00 0.00 175.76 174.97 3k4n s ALA 456 N 2.47 2.23 -0.69 0.00 0.00 -1.26 -4.94 121.76 119.57 3k4n s ALA 456 Ca 0.36 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3k4n s ALA 456 Cb -0.04 -4.21 0.38 0.00 0.00 0.00 0.00 23.12 19.25 3k4n s ALA 456 CO -0.07 -3.61 1.65 0.41 0.00 0.00 0.00 175.76 174.15 3k4n n GLY 457 N 5.77 5.72 3.07 0.00 0.00 -1.26 -4.93 105.19 113.56 3k4n n GLY 457 Ca 0.29 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.71 3k4n n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n n ALA 458 N -0.51 0.00 0.78 4.61 0.00 -1.26 -4.58 120.51 119.55 3k4n n ALA 458 Ca 0.48 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.94 3k4n n ALA 458 Cb 0.40 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.01 3k4n n ALA 458 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k4n n VAL 459 N 0.00 0.00 -0.12 0.00 0.31 -1.26 0.22 118.33 117.48 3k4n n VAL 459 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3k4n n VAL 459 Cb 0.00 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3k4n n VAL 459 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k4n n GLN 460 N -0.71 0.59 0.00 5.55 1.13 -1.26 -3.90 117.38 118.77 3k4n n GLN 460 Ca 0.04 -0.83 0.00 0.00 -1.94 0.00 0.00 57.00 54.27 3k4n n GLN 460 Cb 0.02 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3k4n n GLN 460 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3k4n n GLN 461 N -0.18 2.92 -0.18 -1.09 6.02 -0.34 -4.64 117.38 119.90 3k4n n GLN 461 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 3k4n n GLN 461 Cb 0.14 -0.91 0.03 0.00 1.02 0.00 0.00 30.24 30.52 3k4n n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4n h SER 462 N 0.00 0.59 -3.63 1.08 0.87 0.24 -3.43 113.55 109.27 3k4n h SER 462 Ca 0.00 -0.01 -0.51 0.00 -1.23 0.00 0.00 61.79 60.04 3k4n h SER 462 Cb 0.69 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3k4n h SER 462 CO 0.00 0.42 0.13 -0.63 -0.53 0.00 0.00 176.83 176.23 3k4n s ILE 463 N -6.15 4.54 0.06 2.23 -1.09 -1.25 -5.03 121.20 114.52 3k4n s ILE 463 Ca -0.13 1.30 -0.30 0.00 -2.23 0.00 0.00 60.65 59.28 3k4n s ILE 463 Cb 0.12 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3k4n s ILE 463 CO 0.74 0.14 1.17 -0.62 -1.23 0.00 0.00 174.94 175.14 3k4n s ASP 464 N -1.74 7.12 0.54 3.58 -1.08 -1.26 -4.80 116.67 119.02 3k4n s ASP 464 Ca 0.46 1.98 0.32 0.00 -0.52 0.00 0.00 52.55 54.79 3k4n s ASP 464 Cb -0.16 -2.58 1.33 0.00 -1.46 0.00 0.00 42.92 40.05 3k4n s ASP 464 CO 0.21 -0.43 1.97 0.77 0.52 0.00 0.00 175.17 178.21 3k4n h SER 465 N 6.69 0.00 -0.24 -0.34 4.64 -1.93 -0.25 113.55 122.12 3k4n h SER 465 Ca -0.42 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.97 3k4n h SER 465 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3k4n h SER 465 CO 0.80 0.04 0.17 0.03 -0.87 0.00 0.00 176.83 177.00 3k4n h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.98 -2.54 114.38 117.71 3k4n h ARG 466 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3k4n h ARG 466 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3k4n h ARG 466 CO 0.00 0.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.24 3k4n h LEU 467 N 0.00 0.00 -9.31 3.04 3.38 -1.42 -3.46 115.31 107.54 3k4n h LEU 467 Ca 0.11 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.53 3k4n h LEU 467 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3k4n h LEU 467 CO -0.00 0.59 0.35 -0.63 0.09 0.00 0.00 178.44 178.84 3k4n s ILE 468 N -3.01 4.90 -0.02 1.22 1.01 -0.96 0.18 121.20 124.52 3k4n s ILE 468 Ca 0.03 1.81 0.05 0.00 0.00 0.00 0.00 60.65 62.54 3k4n s ILE 468 Cb 0.09 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3k4n s ILE 468 CO 0.75 0.12 -0.18 -0.69 0.00 0.00 0.00 174.94 174.94 3k4n s VAL 469 N 1.42 1.43 -0.08 2.92 1.01 -0.89 -4.98 120.40 121.24 3k4n s VAL 469 Ca 0.45 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3k4n s VAL 469 Cb -0.19 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3k4n s VAL 469 CO 0.20 0.41 0.47 -1.81 0.00 0.00 0.00 175.10 174.37 3k4n s ASP 470 N -0.33 6.74 -0.16 3.32 1.01 0.12 -1.50 116.67 125.88 3k4n s ASP 470 Ca 0.05 0.89 -0.03 0.00 0.71 0.00 0.00 52.55 54.16 3k4n s ASP 470 Cb -0.08 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 3k4n s ASP 470 CO -0.00 0.10 -0.06 0.26 0.21 0.00 0.00 175.17 175.68 3k4n s TRP 471 N 0.10 2.98 -0.07 4.23 0.52 -0.71 0.69 118.94 126.67 3k4n s TRP 471 Ca 0.26 -0.42 -0.00 0.00 0.02 0.00 0.00 56.10 55.95 3k4n s TRP 471 Cb -0.16 -1.95 0.03 0.00 -1.15 0.00 0.00 33.47 30.24 3k4n s TRP 471 CO 0.12 -0.12 -0.02 1.03 0.02 0.00 0.00 176.95 177.98 3k4n s ARG 472 N 0.47 0.81 -0.13 4.98 0.52 -0.38 -2.09 118.95 123.14 3k4n s ARG 472 Ca -0.05 -0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3k4n s ARG 472 Cb -0.15 -1.02 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 3k4n s ARG 472 CO 0.03 -0.23 -0.16 -0.06 0.02 0.00 0.00 175.30 174.90 3k4n s PHE 473 N 1.60 2.74 -0.35 -0.53 0.40 -0.59 -1.18 117.98 120.06 3k4n s PHE 473 Ca -0.00 -0.83 -0.02 0.00 -0.60 0.00 0.00 56.93 55.48 3k4n s PHE 473 Cb -0.13 -1.82 0.08 0.00 0.51 0.00 0.00 43.02 41.66 3k4n s PHE 473 CO -0.04 -0.32 0.10 -0.06 0.70 0.00 0.00 175.22 175.60 3k4n s PHE 474 N 0.45 3.45 0.91 0.36 0.40 0.66 -1.89 117.98 122.32 3k4n s PHE 474 Ca -0.12 -2.20 -0.13 0.00 -0.60 0.00 0.00 56.93 53.89 3k4n s PHE 474 Cb -0.16 -2.68 0.14 0.00 0.51 0.00 0.00 43.02 40.83 3k4n s PHE 474 CO 0.05 -0.89 1.15 0.20 0.70 0.00 0.00 175.22 176.44 3k4n s GLY 475 N 1.48 1.59 0.08 4.36 0.00 -0.70 -1.06 107.32 113.06 3k4n s GLY 475 Ca 0.02 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.22 3k4n s GLY 475 CO -0.03 -0.02 -0.14 1.09 0.00 0.00 0.00 173.10 173.99 3k4n s ARG 476 N -5.36 2.06 -0.17 2.90 1.70 -1.26 -4.17 118.95 114.65 3k4n s ARG 476 Ca 0.64 -1.02 0.01 0.00 -0.47 0.00 0.00 55.73 54.89 3k4n s ARG 476 Cb -0.13 -2.24 0.02 0.00 -0.57 0.00 0.00 34.95 32.03 3k4n s ARG 476 CO 0.53 0.52 -0.20 0.99 -1.08 0.00 0.00 175.30 176.06 3k4n s THR 477 N -1.09 1.99 -0.42 4.99 2.01 -1.26 -4.64 115.64 117.22 3k4n s THR 477 Ca 0.18 -0.90 -0.43 0.00 0.31 0.00 0.00 61.69 60.85 3k4n s THR 477 Cb -0.11 -1.79 -0.17 0.00 0.01 0.00 0.00 72.50 70.43 3k4n s THR 477 CO 0.10 0.53 1.85 -0.62 -0.69 0.00 0.00 174.62 175.79 3k4n n GLU 478 N 4.52 0.47 -1.82 4.92 1.02 -1.26 -4.22 120.64 124.27 3k4n n GLU 478 Ca -0.20 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 3k4n n GLU 478 Cb 0.50 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3k4n n GLU 478 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3k4n s PRO 479 N 4.33 4.16 -0.08 3.49 0.04 -1.26 -4.81 135.00 140.87 3k4n s PRO 479 Ca 1.07 2.45 0.01 0.00 0.04 0.00 0.00 61.00 64.57 3k4n s PRO 479 Cb -1.30 -3.83 0.02 0.00 0.04 0.00 0.00 34.50 29.44 3k4n s PRO 479 CO 0.69 -0.84 -0.07 0.15 0.04 0.00 0.00 177.00 176.97 3k4n s LYS 480 N 3.43 1.27 0.32 4.56 -0.14 -1.26 -4.97 119.74 122.96 3k4n s LYS 480 Ca 0.80 -0.21 0.06 0.00 -1.36 0.00 0.00 55.97 55.26 3k4n s LYS 480 Cb -0.41 -1.27 0.90 0.00 -1.68 0.00 0.00 37.83 35.37 3k4n s LYS 480 CO 0.35 -0.15 1.58 1.49 -0.76 0.00 0.00 175.35 177.86 3k4n h GLU 481 N 7.63 0.02 0.00 1.68 4.81 -1.93 0.64 114.58 127.42 3k4n h GLU 481 Ca -0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3k4n h GLU 481 Cb 1.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3k4n h GLU 481 CO 0.42 0.01 0.00 1.05 -0.73 0.00 0.00 179.01 179.76 3k4n h GLU 482 N 0.02 0.00 -5.84 1.92 9.09 -1.96 -3.34 114.58 114.47 3k4n h GLU 482 Ca 0.66 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 59.46 3k4n h GLU 482 Cb 1.47 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.46 3k4n h GLU 482 CO -0.87 0.00 0.42 -0.80 0.05 0.00 0.00 179.01 177.81 3k4n s ASN 483 N -5.14 6.59 0.15 3.06 0.01 0.21 -4.85 114.94 114.97 3k4n s ASN 483 Ca -0.03 0.44 0.08 0.00 -0.71 0.00 0.00 52.86 52.65 3k4n s ASN 483 Cb 0.11 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3k4n s ASN 483 CO 0.42 -0.74 -0.19 -0.54 -1.51 0.00 0.00 177.10 174.55 3k4n s LYS 484 N 3.15 1.24 -0.29 -0.60 1.02 0.10 -2.40 119.74 121.96 3k4n s LYS 484 Ca 0.33 -1.36 -0.05 0.00 0.02 0.00 0.00 55.97 54.91 3k4n s LYS 484 Cb -0.13 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 3k4n s LYS 484 CO 0.17 0.28 0.04 -1.17 -0.92 0.00 0.00 175.35 173.75 3k4n s LEU 485 N -2.51 3.76 0.37 3.17 2.96 0.75 -2.20 118.68 124.98 3k4n s LEU 485 Ca 0.14 -0.87 0.05 0.00 -0.22 0.00 0.00 54.13 53.23 3k4n s LEU 485 Cb -0.07 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.75 3k4n s LEU 485 CO 0.06 -0.20 0.03 -1.66 -1.32 0.00 0.00 176.35 173.26 3k4n s TRP 486 N 1.42 2.24 -0.02 5.38 1.48 -0.58 -4.60 118.94 124.27 3k4n s TRP 486 Ca 0.01 -0.82 0.06 0.00 -1.06 0.00 0.00 56.10 54.29 3k4n s TRP 486 Cb -0.18 -1.54 -0.01 0.00 -1.16 0.00 0.00 33.47 30.58 3k4n s TRP 486 CO 0.00 0.23 -0.20 -0.06 -4.06 0.00 0.00 176.95 172.86 3k4n s PHE 487 N -2.99 1.85 0.23 1.66 0.08 -1.26 -0.04 117.98 117.51 3k4n s PHE 487 Ca 0.35 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 3k4n s PHE 487 Cb 0.09 -1.19 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 3k4n s PHE 487 CO 0.16 -0.04 1.07 0.45 -0.10 0.00 0.00 175.22 176.76 3k4n s SER 488 N -0.45 7.34 0.08 1.36 0.15 -0.81 0.35 113.70 121.72 3k4n s SER 488 Ca 0.07 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.13 3k4n s SER 488 Cb -0.08 -2.61 0.95 0.00 -1.71 0.00 0.00 66.02 62.57 3k4n s SER 488 CO -0.01 -0.12 1.78 -0.90 1.20 0.00 0.00 173.24 175.19 3k4n n ASP 489 N 1.75 0.37 -0.02 5.45 5.68 -1.26 -4.12 116.55 124.41 3k4n n ASP 489 Ca 0.00 0.42 -0.02 0.00 -0.50 0.00 0.00 54.79 54.70 3k4n n ASP 489 Cb 0.46 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 3k4n n ASP 489 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3k4n n LYS 490 N -1.80 3.01 -2.90 0.11 2.85 -1.26 -5.03 118.16 113.14 3k4n n LYS 490 Ca 0.06 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.00 3k4n n LYS 490 Cb 0.38 -1.07 -0.05 0.00 -0.65 0.00 0.00 35.03 33.63 3k4n n LYS 490 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3k4n s ILE 491 N -2.07 4.62 0.07 0.58 -1.09 -1.26 -5.01 121.20 117.05 3k4n s ILE 491 Ca -0.02 1.02 0.04 0.00 -2.23 0.00 0.00 60.65 59.46 3k4n s ILE 491 Cb 0.01 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3k4n s ILE 491 CO 0.11 -0.36 -0.11 0.42 -1.23 0.00 0.00 174.94 173.77 3k4n s THR 492 N -2.21 0.94 0.00 2.92 -4.23 -1.26 -2.32 115.64 109.48 3k4n s THR 492 Ca 0.56 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3k4n s THR 492 Cb -0.10 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3k4n s THR 492 CO 0.22 -0.37 0.00 -0.90 -0.54 0.00 0.00 174.62 173.03 3k4n n ASP 493 N 1.08 0.00 -0.01 3.99 5.68 0.12 -4.76 116.55 122.66 3k4n n ASP 493 Ca -0.20 -0.34 -0.06 0.00 -0.50 0.00 0.00 54.79 53.69 3k4n n ASP 493 Cb 0.55 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.68 3k4n n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4n h ALA 494 N -1.29 0.96 -0.87 2.12 0.00 -1.99 -2.45 119.26 115.74 3k4n h ALA 494 Ca 0.00 -0.39 -0.46 0.00 0.00 0.00 0.00 54.91 54.05 3k4n h ALA 494 Cb 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 17.79 17.40 3k4n h ALA 494 CO 0.00 0.61 0.51 0.66 0.00 0.00 0.00 179.25 181.03 3k4n n TYR 495 N -4.08 2.69 -1.91 0.00 4.02 -1.26 -4.92 117.16 111.70 3k4n n TYR 495 Ca -0.01 -1.90 -0.09 0.00 -0.01 0.00 0.00 57.90 55.89 3k4n n TYR 495 Cb 0.46 -0.89 -0.01 0.00 -0.02 0.00 0.00 39.34 38.87 3k4n n TYR 495 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3k4n n ASN 496 N -1.12 -3.47 -4.59 7.72 5.15 -0.92 -4.99 115.26 113.04 3k4n n ASN 496 Ca 0.55 0.06 -0.23 0.00 -0.60 0.00 0.00 54.58 54.35 3k4n n ASN 496 Cb 1.46 -2.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.16 3k4n n ASN 496 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3k4n s MET 497 N -3.97 2.09 0.44 1.20 -1.94 -1.26 -4.84 119.30 111.01 3k4n s MET 497 Ca 0.00 -1.53 -0.25 0.00 -1.71 0.00 0.00 55.69 52.19 3k4n s MET 497 Cb 0.00 -2.03 -0.09 0.00 2.01 0.00 0.00 34.83 34.72 3k4n s MET 497 CO 0.00 0.35 1.37 -2.30 -0.01 0.00 0.00 175.02 174.44 3k4n n PRO 498 N -0.80 2.15 -2.69 2.03 -0.02 -1.26 0.14 135.00 134.55 3k4n n PRO 498 Ca -0.06 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3k4n n PRO 498 Cb 0.59 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3k4n n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4n s GLN 499 N -2.34 4.44 0.62 -0.52 2.00 -0.98 -4.58 119.66 118.29 3k4n s GLN 499 Ca 0.61 1.40 -0.16 0.00 -2.00 0.00 0.00 55.36 55.21 3k4n s GLN 499 Cb -0.47 -3.53 -0.02 0.00 0.80 0.00 0.00 33.01 29.78 3k4n s GLN 499 CO 0.58 -0.29 1.10 -2.14 -0.50 0.00 0.00 175.29 174.04 3k4n s PRO 500 N 1.92 3.06 -0.12 1.67 0.02 -1.26 -1.93 135.00 138.36 3k4n s PRO 500 Ca 0.49 1.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.78 3k4n s PRO 500 Cb -0.19 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.38 3k4n s PRO 500 CO 0.19 -1.04 0.31 0.99 -0.33 0.00 0.00 177.00 177.12 3k4n s THR 501 N -2.26 -0.00 -0.15 0.99 2.01 0.94 -4.76 115.64 112.42 3k4n s THR 501 Ca 0.67 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 3k4n s THR 501 Cb -0.20 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 3k4n s THR 501 CO 0.37 0.00 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.93 3k4n s PHE 502 N 0.19 3.09 -0.64 4.92 0.08 -1.26 -1.53 117.98 122.83 3k4n s PHE 502 Ca -0.00 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3k4n s PHE 502 Cb -0.02 -1.97 0.16 0.00 -0.57 0.00 0.00 43.02 40.62 3k4n s PHE 502 CO 0.00 0.06 0.42 0.34 -0.10 0.00 0.00 175.22 175.95 3k4n s ASP 503 N 0.23 4.76 -0.04 1.36 -1.08 -0.94 -4.43 116.67 116.53 3k4n s ASP 503 Ca -0.01 -3.44 0.02 0.00 -0.52 0.00 0.00 52.55 48.60 3k4n s ASP 503 Cb -0.13 -1.68 0.02 0.00 -1.46 0.00 0.00 42.92 39.66 3k4n s ASP 503 CO 0.02 -0.17 -0.07 0.12 0.52 0.00 0.00 175.17 175.59 3k4n s PHE 504 N -0.88 0.87 0.05 -5.34 2.19 -0.54 0.01 117.98 114.34 3k4n s PHE 504 Ca 0.21 -0.25 0.01 0.00 0.33 0.00 0.00 56.93 57.23 3k4n s PHE 504 Cb -0.14 -0.71 -0.03 0.00 -1.31 0.00 0.00 43.02 40.83 3k4n s PHE 504 CO -0.09 -0.18 -0.05 0.50 1.83 0.00 0.00 175.22 177.24 3k4n s ARG 505 N 0.68 0.55 0.06 10.12 3.52 -1.26 -3.88 118.95 128.75 3k4n s ARG 505 Ca -0.10 -0.94 -0.31 0.00 -0.13 0.00 0.00 55.73 54.25 3k4n s ARG 505 Cb -0.13 -0.06 -0.06 0.00 -1.56 0.00 0.00 34.95 33.14 3k4n s ARG 505 CO 0.01 -0.02 1.20 -0.06 -0.81 0.00 0.00 175.30 175.62 3k4n s PHE 506 N -2.41 3.43 0.25 5.12 0.08 -1.26 -4.91 117.98 118.28 3k4n s PHE 506 Ca -0.03 1.29 -0.31 0.00 0.12 0.00 0.00 56.93 58.00 3k4n s PHE 506 Cb -0.03 -3.43 -0.13 0.00 -0.57 0.00 0.00 43.02 38.86 3k4n s PHE 506 CO -0.03 -1.31 1.45 -2.30 -0.10 0.00 0.00 175.22 172.92 3k4n n PRO 507 N 3.91 2.17 -0.87 0.24 -0.02 -1.26 -4.84 135.00 134.32 3k4n n PRO 507 Ca 0.09 0.77 -0.28 0.00 -2.02 0.00 0.00 63.50 62.06 3k4n n PRO 507 Cb 0.46 -2.46 0.22 0.00 -0.02 0.00 0.00 33.50 31.71 3k4n n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4n s ALA 508 N -0.02 0.17 0.00 3.55 0.00 -1.26 -2.43 121.76 121.77 3k4n s ALA 508 Ca 0.68 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3k4n s ALA 508 Cb -0.62 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3k4n s ALA 508 CO 0.49 -3.44 0.00 0.41 0.00 0.00 0.00 175.76 173.22 3k4n n GLY 509 N -0.18 1.34 0.12 0.00 0.00 -1.26 -4.45 105.19 100.76 3k4n n GLY 509 Ca 0.05 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 3k4n n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4n h ARG 510 N 0.00 0.32 -0.57 1.61 2.43 -1.99 -1.72 114.38 114.46 3k4n h ARG 510 Ca 0.00 -0.39 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3k4n h ARG 510 Cb 0.00 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3k4n h ARG 510 CO 0.00 1.10 0.34 1.15 -1.51 0.00 0.00 179.97 181.05 3k4n h THR 511 N -0.28 1.05 0.03 0.20 2.02 -1.78 0.18 112.91 114.32 3k4n h THR 511 Ca -0.08 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3k4n h THR 511 Cb 1.33 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3k4n h THR 511 CO 0.11 0.12 -0.01 0.28 0.37 0.00 0.00 175.52 176.39 3k4n h SER 512 N 0.67 -0.03 -0.20 4.18 0.02 -1.47 -0.52 113.55 116.19 3k4n h SER 512 Ca 0.23 -0.29 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3k4n h SER 512 Cb 0.04 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 3k4n h SER 512 CO -0.11 0.27 -0.26 0.50 -1.14 0.00 0.00 176.83 176.09 3k4n h LYS 513 N -0.33 -0.28 -0.93 3.45 3.64 -1.21 -2.13 116.57 118.78 3k4n h LYS 513 Ca -0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3k4n h LYS 513 Cb 0.31 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3k4n h LYS 513 CO 0.01 -0.19 0.61 0.93 -2.27 0.00 0.00 179.45 178.54 3k4n h GLU 514 N -0.29 1.20 -0.44 1.90 5.08 -0.56 -0.79 114.58 120.68 3k4n h GLU 514 Ca 0.12 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3k4n h GLU 514 Cb 0.48 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3k4n h GLU 514 CO -0.37 0.79 0.08 0.00 -1.00 0.00 0.00 179.01 178.51 3k4n h ALA 515 N 1.35 1.32 0.09 3.43 0.00 -0.42 0.15 119.26 125.18 3k4n h ALA 515 Ca 0.35 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 3k4n h ALA 515 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3k4n h ALA 515 CO -0.09 0.48 -1.45 1.49 0.00 0.00 0.00 179.25 179.68 3k4n h GLU 516 N 0.65 0.18 -0.57 0.00 4.57 -1.19 -2.56 114.58 115.66 3k4n h GLU 516 Ca 0.14 -0.31 0.10 0.00 -1.18 0.00 0.00 59.36 58.12 3k4n h GLU 516 Cb 0.28 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.91 3k4n h GLU 516 CO 0.00 1.03 0.14 -0.44 -1.18 0.00 0.00 179.01 178.55 3k4n h ASP 517 N 0.05 0.04 -0.26 1.04 3.32 -0.81 -2.23 116.42 117.56 3k4n h ASP 517 Ca -0.20 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3k4n h ASP 517 Cb 1.97 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 41.59 3k4n h ASP 517 CO 0.15 0.03 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.54 3k4n h MET 518 N 0.28 -0.10 -0.21 3.56 4.05 -0.62 -0.67 114.93 121.22 3k4n h MET 518 Ca 0.30 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 3k4n h MET 518 Cb 0.42 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.18 3k4n h MET 518 CO -0.37 -0.07 -0.19 1.98 0.23 0.00 0.00 176.91 178.49 3k4n h MET 519 N -0.10 -0.20 0.00 0.39 1.85 -1.07 -0.51 114.93 115.29 3k4n h MET 519 Ca 0.14 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.22 3k4n h MET 519 Cb 0.32 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.39 3k4n h MET 519 CO -0.33 -0.13 -0.10 1.15 -0.40 0.00 0.00 176.91 177.10 3k4n h THR 520 N -0.21 0.60 -0.12 -0.77 2.02 -0.80 0.33 112.91 113.96 3k4n h THR 520 Ca 0.12 -0.42 -0.18 0.00 0.77 0.00 0.00 66.41 66.71 3k4n h THR 520 Cb 0.40 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3k4n h THR 520 CO -0.33 0.09 -0.61 -0.78 0.37 0.00 0.00 175.52 174.26 3k4n h ASP 521 N 0.00 0.75 -0.45 4.18 3.58 -0.18 -0.47 116.42 123.82 3k4n h ASP 521 Ca -0.00 -0.64 -0.03 0.00 0.42 0.00 0.00 57.03 56.78 3k4n h ASP 521 Cb 0.26 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3k4n h ASP 521 CO 0.01 1.27 0.20 -0.03 -2.88 0.00 0.00 179.24 177.81 3k4n h MET 522 N 0.28 0.72 -0.24 0.28 4.05 0.60 0.32 114.93 120.93 3k4n h MET 522 Ca -0.04 -0.10 -0.16 0.00 -0.28 0.00 0.00 59.70 59.12 3k4n h MET 522 Cb 1.26 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3k4n h MET 522 CO 0.13 0.59 -0.46 0.00 0.23 0.00 0.00 176.91 177.40 3k4n h VAL 524 N 0.46 1.24 0.08 0.00 2.07 -0.57 -2.78 116.25 116.74 3k4n h VAL 524 Ca 0.01 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3k4n h VAL 524 Cb 1.07 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3k4n h VAL 524 CO 0.10 0.30 -0.04 -0.03 0.02 0.00 0.00 177.57 177.92 3k4n h MET 525 N 0.72 -0.10 -0.88 1.57 -1.53 -0.34 -3.23 114.93 111.13 3k4n h MET 525 Ca 0.17 0.01 0.13 0.00 -3.44 0.00 0.00 59.70 56.57 3k4n h MET 525 Cb 0.30 0.02 -0.07 0.00 -0.55 0.00 0.00 31.60 31.30 3k4n h MET 525 CO -0.00 0.45 0.57 0.66 0.14 0.00 0.00 176.91 178.72 3k4n h SER 526 N -0.84 0.67 -0.91 1.39 4.64 -0.98 -1.21 113.55 116.32 3k4n h SER 526 Ca -0.01 0.04 0.26 0.00 -0.47 0.00 0.00 61.79 61.60 3k4n h SER 526 Cb 0.60 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 3k4n h SER 526 CO 0.02 0.35 0.65 0.00 -0.87 0.00 0.00 176.83 176.98 3k4n h ALA 527 N 1.59 2.75 -0.18 5.18 0.00 -1.51 -1.04 119.26 126.06 3k4n h ALA 527 Ca 0.44 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3k4n h ALA 527 Cb 0.65 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3k4n h ALA 527 CO -0.20 -1.02 -0.23 0.87 0.00 0.00 0.00 179.25 178.67 3k4n h LYS 528 N 0.07 0.32 0.04 0.00 1.57 -1.34 -3.10 116.57 114.12 3k4n h LYS 528 Ca 0.44 -0.10 -0.32 0.00 -1.87 0.00 0.00 60.65 58.80 3k4n h LYS 528 Cb 1.65 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.89 3k4n h LYS 528 CO -0.04 0.54 -1.84 -0.89 -0.57 0.00 0.00 179.45 176.64 3k4n n ILE 529 N -4.16 1.65 -0.59 1.86 2.08 -0.53 -4.94 119.36 114.73 3k4n n ILE 529 Ca -0.01 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.55 3k4n n ILE 529 Cb 0.36 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.02 3k4n n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4n n GLY 530 N 1.71 -2.52 3.82 7.39 0.00 -0.51 -0.43 105.19 114.65 3k4n n GLY 530 Ca -0.23 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3k4n n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4n s GLY 531 N 0.00 2.20 0.59 -0.02 0.00 -1.24 -4.04 107.32 104.81 3k4n s GLY 531 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.87 3k4n s GLY 531 CO 0.00 0.62 0.69 0.69 0.00 0.00 0.00 173.10 175.10 3k4n n PHE 532 N -1.44 -0.12 -3.48 1.90 3.72 -1.26 -1.11 117.46 115.67 3k4n n PHE 532 Ca 0.08 0.44 -0.42 0.00 -0.05 0.00 0.00 57.45 57.49 3k4n n PHE 532 Cb 0.54 -2.02 -0.10 0.00 -0.94 0.00 0.00 39.48 36.95 3k4n n PHE 532 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3k4n s LEU 533 N -0.38 4.82 0.21 4.37 2.96 0.30 -4.54 118.68 126.42 3k4n s LEU 533 Ca 0.72 -0.66 -0.26 0.00 -0.22 0.00 0.00 54.13 53.71 3k4n s LEU 533 Cb -0.43 -2.17 -0.16 0.00 0.50 0.00 0.00 46.19 43.94 3k4n s LEU 533 CO 0.51 -0.36 0.45 -2.65 -1.32 0.00 0.00 176.35 172.98 3k4n n PRO 534 N 5.16 0.00 -0.78 0.98 -0.02 -1.26 -1.67 135.00 137.42 3k4n n PRO 534 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3k4n n PRO 534 Cb 0.48 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 3k4n n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4n n GLY 535 N 1.90 0.77 2.63 -1.23 0.00 -1.26 -4.81 105.19 103.18 3k4n n GLY 535 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3k4n n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4n n SER 536 N 0.00 -1.60 -4.89 1.61 7.64 -0.67 -5.05 113.62 110.66 3k4n n SER 536 Ca 0.00 -3.38 -0.29 0.00 1.01 0.00 0.00 58.87 56.21 3k4n n SER 536 Cb 0.00 1.28 -0.02 0.00 -1.01 0.00 0.00 64.21 64.46 3k4n n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4n s LEU 537 N -2.46 3.80 -0.18 -3.43 1.43 -1.26 -1.63 118.68 114.96 3k4n s LEU 537 Ca 0.25 0.95 -0.39 0.00 -1.03 0.00 0.00 54.13 53.92 3k4n s LEU 537 Cb 0.32 -3.85 -0.15 0.00 0.03 0.00 0.00 46.19 42.54 3k4n s LEU 537 CO -0.06 -0.43 1.70 -2.65 0.23 0.00 0.00 176.35 175.14 3k4n n PRO 538 N -1.62 1.33 -3.90 1.29 -0.02 -1.25 -4.56 135.00 126.27 3k4n n PRO 538 Ca 0.01 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 3k4n n PRO 538 Cb 0.54 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 3k4n n PRO 538 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3k4n s GLN 539 N 3.05 0.72 0.09 -0.52 -2.07 0.12 -4.96 119.66 116.10 3k4n s GLN 539 Ca 0.95 -0.85 -0.23 0.00 -1.82 0.00 0.00 55.36 53.41 3k4n s GLN 539 Cb -0.98 0.29 -0.07 0.00 -1.09 0.00 0.00 33.01 31.15 3k4n s GLN 539 CO 0.60 -0.20 0.69 -0.06 -1.32 0.00 0.00 175.29 174.99 3k4n s PHE 540 N -3.23 3.82 0.27 9.60 0.08 -1.26 -0.17 117.98 127.07 3k4n s PHE 540 Ca 0.00 1.44 0.02 0.00 0.12 0.00 0.00 56.93 58.51 3k4n s PHE 540 Cb 0.02 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 3k4n s PHE 540 CO -0.08 0.47 0.44 -1.64 -0.10 0.00 0.00 175.22 174.31 3k4n s MET 541 N -0.81 3.48 0.10 0.44 -1.94 -0.25 -4.97 119.30 115.36 3k4n s MET 541 Ca 0.34 -0.48 -0.34 0.00 -1.71 0.00 0.00 55.69 53.49 3k4n s MET 541 Cb -0.21 -2.79 -0.18 0.00 2.01 0.00 0.00 34.83 33.66 3k4n s MET 541 CO 0.22 0.32 0.91 0.39 -0.01 0.00 0.00 175.02 176.85 3k4n n GLU 542 N -1.32 0.26 -1.75 2.03 -0.58 -1.26 -4.74 120.64 113.28 3k4n n GLU 542 Ca -0.06 0.09 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 3k4n n GLU 542 Cb 0.56 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.97 3k4n n GLU 542 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3k4n s PRO 543 N -0.41 4.14 0.00 3.49 0.02 -1.26 -2.56 135.00 138.42 3k4n s PRO 543 Ca 0.78 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.37 3k4n s PRO 543 Cb -1.06 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 30.17 3k4n s PRO 543 CO 0.56 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3k4n n GLY 544 N 4.05 3.25 0.42 0.52 0.00 -1.26 0.06 105.19 112.22 3k4n n GLY 544 Ca 0.16 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.41 3k4n n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4n h LEU 545 N 0.00 0.18 -2.34 0.99 5.85 -1.55 -0.71 115.31 117.72 3k4n h LEU 545 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3k4n h LEU 545 Cb 0.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3k4n h LEU 545 CO 0.00 0.07 0.02 1.62 -0.34 0.00 0.00 178.44 179.81 3k4n h VAL 546 N 0.18 0.64 -5.38 1.05 3.04 -1.89 -3.47 116.25 110.42 3k4n h VAL 546 Ca 0.40 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.74 3k4n h VAL 546 Cb 1.30 0.99 0.13 0.00 -2.01 0.00 0.00 31.29 31.70 3k4n h VAL 546 CO -0.07 0.00 -0.63 0.18 -1.01 0.00 0.00 177.57 176.03 3k4n n LEU 547 N -4.02 -3.38 -0.99 3.16 4.77 -0.28 -4.91 117.00 111.35 3k4n n LEU 547 Ca -0.03 -0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 55.44 3k4n n LEU 547 Cb 0.10 -2.82 0.19 0.00 -2.33 0.00 0.00 43.42 38.57 3k4n n LEU 547 CO 0.29 0.55 0.53 1.41 -1.33 0.00 0.00 177.39 178.84 3k4n n HIS 548 N -4.62 0.74 -1.88 -1.77 8.25 -1.26 -5.06 115.22 109.62 3k4n n HIS 548 Ca -0.04 -1.62 -0.41 0.00 -0.26 0.00 0.00 57.72 55.39 3k4n n HIS 548 Cb 0.57 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 3k4n n HIS 548 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k4n s LEU 549 N -3.28 4.35 0.31 2.41 2.96 -1.26 -4.61 118.68 119.55 3k4n s LEU 549 Ca 0.42 2.95 -0.08 0.00 -0.22 0.00 0.00 54.13 57.21 3k4n s LEU 549 Cb 0.39 -3.66 0.01 0.00 0.50 0.00 0.00 46.19 43.43 3k4n s LEU 549 CO -0.03 -0.79 0.51 -0.83 -1.32 0.00 0.00 176.35 173.88 3k4n s GLY 550 N -0.19 0.96 0.00 7.98 0.00 0.68 -4.45 107.32 112.30 3k4n s GLY 550 Ca 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3k4n s GLY 550 CO 0.60 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 173.54 3k4n n GLY 551 N -0.48 0.81 0.14 0.20 0.00 -0.87 0.09 105.19 105.09 3k4n n GLY 551 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3k4n n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4n h THR 552 N 0.00 1.42 -2.13 2.61 1.35 -1.75 -3.27 112.91 111.15 3k4n h THR 552 Ca 0.00 -2.01 -0.54 0.00 -0.55 0.00 0.00 66.41 63.31 3k4n h THR 552 Cb 0.00 2.08 -0.41 0.00 -1.73 0.00 0.00 68.15 68.09 3k4n h THR 552 CO 0.00 0.58 -0.93 0.00 -0.25 0.00 0.00 175.52 174.91 3k4n n HIS 553 N -3.84 1.93 -1.26 4.73 1.44 -0.64 -0.39 115.22 117.20 3k4n n HIS 553 Ca -0.01 -3.90 -0.29 0.00 -2.01 0.00 0.00 57.72 51.51 3k4n n HIS 553 Cb 0.59 -0.45 0.17 0.00 0.12 0.00 0.00 29.99 30.41 3k4n n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4n s ARG 554 N -2.78 0.61 0.05 -1.40 1.70 -0.99 -4.03 118.95 112.10 3k4n s ARG 554 Ca 0.43 0.47 0.04 0.00 -0.47 0.00 0.00 55.73 56.20 3k4n s ARG 554 Cb 0.30 -1.76 -0.04 0.00 -0.57 0.00 0.00 34.95 32.88 3k4n s ARG 554 CO -0.10 -2.60 -0.01 1.41 -1.08 0.00 0.00 175.30 172.91 3k4n s MET 555 N -5.04 2.61 0.31 3.89 -2.45 0.15 -1.08 119.30 117.69 3k4n s MET 555 Ca 0.65 -0.75 -0.18 0.00 -1.25 0.00 0.00 55.69 54.15 3k4n s MET 555 Cb -0.18 -2.57 0.06 0.00 1.25 0.00 0.00 34.83 33.40 3k4n s MET 555 CO 0.57 0.58 0.87 0.20 1.05 0.00 0.00 175.02 178.28 3k4n s GLY 556 N -1.92 0.23 -0.06 2.11 0.00 -0.80 -4.62 107.32 102.26 3k4n s GLY 556 Ca 0.22 -0.55 -0.20 0.00 0.00 0.00 0.00 44.72 44.19 3k4n s GLY 556 CO 0.14 0.59 0.79 0.74 0.00 0.00 0.00 173.10 175.36 3k4n h PHE 557 N 2.00 0.54 -3.61 1.90 0.04 -1.93 -3.32 116.94 112.55 3k4n h PHE 557 Ca -0.30 -0.39 -0.61 0.00 2.80 0.00 0.00 57.97 59.48 3k4n h PHE 557 Cb 1.24 -0.02 -0.32 0.00 2.20 0.00 0.00 35.95 39.04 3k4n h PHE 557 CO 1.27 1.40 -0.85 0.34 -0.60 0.00 0.00 178.31 179.86 3k4n s ASP 558 N -7.03 2.49 0.13 2.17 2.15 -1.26 -4.96 116.67 110.37 3k4n s ASP 558 Ca -0.15 -0.43 -0.23 0.00 0.43 0.00 0.00 52.55 52.17 3k4n s ASP 558 Cb 0.02 -0.95 -0.02 0.00 -0.30 0.00 0.00 42.92 41.67 3k4n s ASP 558 CO 0.82 0.14 1.65 -0.08 -0.17 0.00 0.00 175.17 177.53 3k4n h GLU 559 N 6.56 -0.25 0.22 4.34 4.81 -1.89 -0.67 114.58 127.69 3k4n h GLU 559 Ca -0.28 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3k4n h GLU 559 Cb 1.20 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3k4n h GLU 559 CO 0.47 -0.17 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.26 3k4n h LYS 560 N -0.26 -0.28 -0.69 1.92 3.64 -1.96 0.59 116.57 119.53 3k4n h LYS 560 Ca 0.09 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3k4n h LYS 560 Cb 0.40 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3k4n h LYS 560 CO -0.26 -0.19 0.14 0.93 -2.27 0.00 0.00 179.45 177.80 3k4n h GLU 561 N -0.82 1.11 -0.31 1.90 3.07 -2.00 -2.53 114.58 115.01 3k4n h GLU 561 Ca -0.03 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 3k4n h GLU 561 Cb 0.23 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3k4n h GLU 561 CO 0.05 0.99 0.00 -0.25 -1.40 0.00 0.00 179.01 178.40 3k4n n ASP 562 N -4.22 1.84 -3.71 1.42 8.00 -0.26 -5.01 116.55 114.61 3k4n n ASP 562 Ca 0.05 -1.92 -0.29 0.00 0.71 0.00 0.00 54.79 53.34 3k4n n ASP 562 Cb 0.27 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 3k4n n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4n n ASN 563 N 0.48 -5.02 -3.88 -2.24 4.13 0.14 -4.86 115.26 104.01 3k4n n ASN 563 Ca 0.13 -0.74 -0.10 0.00 1.68 0.00 0.00 54.58 55.56 3k4n n ASN 563 Cb 0.31 -1.65 -0.05 0.00 -1.54 0.00 0.00 39.78 36.85 3k4n n ASN 563 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4n s VAL 566 N -1.58 1.52 0.70 0.00 -7.23 -0.76 -1.95 120.40 111.10 3k4n s VAL 566 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3k4n s VAL 566 Cb 0.00 -1.83 0.13 0.00 0.56 0.00 0.00 36.38 35.24 3k4n s VAL 566 CO 0.00 -0.54 0.97 0.54 -0.31 0.00 0.00 175.10 175.76 3k4n s ASN 567 N -2.95 4.43 0.00 4.85 4.22 0.28 -1.90 114.94 123.86 3k4n s ASN 567 Ca 0.17 -0.58 0.23 0.00 -2.14 0.00 0.00 52.86 50.53 3k4n s ASN 567 Cb -0.02 0.24 1.33 0.00 1.28 0.00 0.00 41.25 44.08 3k4n s ASN 567 CO 0.04 -1.82 1.75 0.35 -2.04 0.00 0.00 177.10 175.38 3k4n n THR 568 N -2.73 0.06 1.17 0.54 -2.24 -1.25 0.14 114.28 109.98 3k4n n THR 568 Ca 0.16 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 3k4n n THR 568 Cb 0.61 -0.65 0.36 0.00 -2.10 0.00 0.00 70.33 68.55 3k4n n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4n n ASP 569 N -1.06 1.77 -0.70 3.42 8.00 -1.26 -4.71 116.55 122.02 3k4n n ASP 569 Ca 0.16 -1.73 -0.09 0.00 0.71 0.00 0.00 54.79 53.84 3k4n n ASP 569 Cb 0.10 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3k4n n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4n n SER 570 N 0.39 -5.50 -4.80 -2.24 7.64 0.36 -4.03 113.62 105.45 3k4n n SER 570 Ca 0.16 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.90 3k4n n SER 570 Cb 0.35 -3.80 -0.06 0.00 -1.01 0.00 0.00 64.21 59.68 3k4n n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4n s ARG 571 N -2.67 4.42 0.11 1.43 3.52 -1.25 -1.62 118.95 122.89 3k4n s ARG 571 Ca 0.00 1.10 -0.31 0.00 -0.13 0.00 0.00 55.73 56.39 3k4n s ARG 571 Cb 0.00 -2.84 -0.08 0.00 -1.56 0.00 0.00 34.95 30.48 3k4n s ARG 571 CO 0.00 0.33 1.35 0.08 -0.81 0.00 0.00 175.30 176.25 3k4n s VAL 572 N -1.57 3.44 0.30 7.11 1.01 -0.57 -0.55 120.40 129.57 3k4n s VAL 572 Ca 0.47 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 3k4n s VAL 572 Cb -0.18 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 3k4n s VAL 572 CO 0.22 0.09 1.36 0.49 0.00 0.00 0.00 175.10 177.26 3k4n n PHE 573 N 3.84 2.31 0.00 5.22 3.72 -0.82 -1.66 117.46 130.06 3k4n n PHE 573 Ca 0.11 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 3k4n n PHE 573 Cb 0.43 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.52 3k4n n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4n n GLY 574 N 1.37 2.76 3.75 1.37 0.00 -1.26 -5.00 105.19 108.17 3k4n n GLY 574 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3k4n n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4n s PHE 575 N -0.74 3.48 0.14 1.61 0.40 -0.67 -4.08 117.98 118.13 3k4n s PHE 575 Ca 0.00 0.59 0.15 0.00 -0.60 0.00 0.00 56.93 57.07 3k4n s PHE 575 Cb 0.00 -2.29 0.43 0.00 0.51 0.00 0.00 43.02 41.67 3k4n s PHE 575 CO 0.00 0.31 1.62 0.87 0.70 0.00 0.00 175.22 178.71 3k4n h LYS 576 N 6.42 0.00 -0.34 0.44 1.57 -0.29 -3.40 116.57 120.97 3k4n h LYS 576 Ca -0.43 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.12 3k4n h LYS 576 Cb 1.17 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.08 3k4n h LYS 576 CO 0.73 0.51 -1.09 0.27 -0.57 0.00 0.00 179.45 179.30 3k4n n ASN 577 N -3.53 1.51 -3.75 0.86 6.94 -1.26 -5.03 115.26 111.00 3k4n n ASN 577 Ca -0.00 -2.06 -0.25 0.00 -0.02 0.00 0.00 54.58 52.25 3k4n n ASN 577 Cb 0.61 -0.44 -0.17 0.00 -2.36 0.00 0.00 39.78 37.42 3k4n n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4n s LEU 578 N -2.96 0.86 0.11 -4.53 2.96 -1.25 0.12 118.68 113.99 3k4n s LEU 578 Ca 0.29 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3k4n s LEU 578 Cb 0.34 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 3k4n s LEU 578 CO -0.07 -0.26 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.13 3k4n s PHE 579 N 1.92 2.43 -0.08 5.38 0.40 0.44 -1.51 117.98 126.97 3k4n s PHE 579 Ca 0.02 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3k4n s PHE 579 Cb -0.15 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 3k4n s PHE 579 CO -0.07 0.33 -0.19 -0.51 0.70 0.00 0.00 175.22 175.49 3k4n s LEU 580 N -1.96 2.44 0.13 -0.37 1.43 -0.64 -0.85 118.68 118.86 3k4n s LEU 580 Ca 0.16 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3k4n s LEU 580 Cb -0.10 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3k4n s LEU 580 CO 0.07 0.25 -0.12 -0.83 0.23 0.00 0.00 176.35 175.95 3k4n s GLY 581 N -0.17 1.75 0.00 -3.19 0.00 -0.71 -4.86 107.32 100.13 3k4n s GLY 581 Ca -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3k4n s GLY 581 CO 0.04 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.41 3k4n n GLY 582 N 0.54 0.16 0.27 0.20 0.00 -1.26 -4.52 105.19 100.57 3k4n n GLY 582 Ca -0.13 -2.30 0.15 0.00 0.00 0.00 0.00 46.02 43.74 3k4n n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n h GLY 584 N 1.57 0.05 1.28 0.00 0.00 -1.87 -0.39 103.07 103.71 3k4n h GLY 584 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3k4n h GLY 584 CO 0.01 -0.01 -0.25 3.43 0.00 0.00 0.00 176.54 179.72 3k4n h ASN 585 N 0.01 0.85 -2.64 0.19 2.35 -1.33 -1.61 115.58 113.40 3k4n h ASN 585 Ca 0.58 -0.32 -0.57 0.00 -0.55 0.00 0.00 56.30 55.44 3k4n h ASN 585 Cb 2.29 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 40.41 3k4n h ASN 585 CO -0.02 1.06 1.19 -0.63 -1.65 0.00 0.00 177.43 177.37 3k4n s ILE 586 N -4.57 3.54 -0.81 2.81 1.01 -0.17 -0.67 121.20 122.34 3k4n s ILE 586 Ca -0.10 0.61 0.25 0.00 0.00 0.00 0.00 60.65 61.41 3k4n s ILE 586 Cb 0.13 -3.56 0.08 0.00 0.01 0.00 0.00 42.46 39.12 3k4n s ILE 586 CO 0.85 -0.24 1.47 -0.81 0.00 0.00 0.00 174.94 176.21 3k4n n PRO 587 N 7.81 0.16 -2.93 2.79 -0.04 -1.26 -2.05 135.00 139.48 3k4n n PRO 587 Ca 0.20 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.51 3k4n n PRO 587 Cb 0.45 -1.61 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3k4n n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4n s THR 588 N -3.09 2.05 -0.32 0.52 -4.23 -1.26 -4.70 115.64 104.61 3k4n s THR 588 Ca 0.09 -0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 59.50 3k4n s THR 588 Cb 0.15 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 3k4n s THR 588 CO 0.68 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 175.38 3k4n s ALA 589 N -2.83 3.50 0.01 3.99 0.00 -1.26 -4.72 121.76 120.46 3k4n s ALA 589 Ca 0.64 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.92 3k4n s ALA 589 Cb -0.05 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3k4n s ALA 589 CO 0.41 -1.16 -0.17 1.52 0.00 0.00 0.00 175.76 176.36 3k4n s TYR 590 N 2.62 1.52 -0.19 0.00 1.13 -1.26 -4.46 117.35 116.71 3k4n s TYR 590 Ca 0.24 -0.31 0.10 0.00 -1.41 0.00 0.00 57.07 55.69 3k4n s TYR 590 Cb -0.15 -0.96 -0.22 0.00 -1.10 0.00 0.00 41.96 39.53 3k4n s TYR 590 CO 0.13 0.01 0.08 0.41 -2.51 0.00 0.00 175.55 173.66 3k4n n GLY 591 N 2.39 -0.76 3.77 5.49 0.00 -1.26 -4.24 105.19 110.58 3k4n n GLY 591 Ca -0.16 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 3k4n n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n s ALA 592 N -2.52 1.55 -0.20 4.61 0.00 -1.26 -4.38 121.76 119.57 3k4n s ALA 592 Ca -0.18 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 3k4n s ALA 592 Cb 0.07 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 3k4n s ALA 592 CO 0.75 -2.68 1.23 -0.80 0.00 0.00 0.00 175.76 174.26 3k4n s ASN 593 N -4.18 6.93 0.42 0.00 -0.87 -1.26 -4.94 114.94 111.04 3k4n s ASN 593 Ca 0.68 1.57 0.20 0.00 -1.57 0.00 0.00 52.86 53.74 3k4n s ASN 593 Cb -0.11 -2.54 0.91 0.00 -0.02 0.00 0.00 41.25 39.49 3k4n s ASN 593 CO 0.54 -0.79 1.85 1.55 -2.57 0.00 0.00 177.10 177.68 3k4n h PRO 594 N 8.22 0.00 -0.76 -0.60 0.13 -1.93 -3.36 132.00 133.70 3k4n h PRO 594 Ca -0.25 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.05 3k4n h PRO 594 Cb 1.09 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.11 3k4n h PRO 594 CO 0.98 0.29 0.22 1.15 -0.23 0.00 0.00 178.00 180.42 3k4n h THR 595 N 0.00 0.52 0.00 1.56 2.02 -1.92 0.41 112.91 115.50 3k4n h THR 595 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3k4n h THR 595 Cb 0.69 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3k4n h THR 595 CO 0.04 0.06 0.00 -0.11 0.37 0.00 0.00 175.52 175.87 3k4n n LEU 596 N -5.13 0.52 -0.03 2.58 7.94 -1.26 -1.26 117.00 120.37 3k4n n LEU 596 Ca 0.15 0.62 -0.15 0.00 -1.11 0.00 0.00 56.01 55.52 3k4n n LEU 596 Cb 0.48 -0.54 -0.14 0.00 0.53 0.00 0.00 43.42 43.75 3k4n n LEU 596 CO 0.13 -0.45 -0.77 0.41 -1.11 0.00 0.00 177.39 175.60 3k4n n THR 597 N -2.06 1.65 -0.03 1.96 -1.04 0.14 -2.82 114.28 112.08 3k4n n THR 597 Ca 0.03 -0.73 -0.11 0.00 -2.04 0.00 0.00 64.05 61.20 3k4n n THR 597 Cb 0.23 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.38 3k4n n THR 597 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4n h ALA 598 N 0.53 0.16 -0.61 2.41 0.00 -0.47 -1.19 119.26 120.09 3k4n h ALA 598 Ca -0.39 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3k4n h ALA 598 Cb 2.04 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 3k4n h ALA 598 CO 0.06 -0.24 0.31 1.98 0.00 0.00 0.00 179.25 181.36 3k4n h MET 599 N 0.04 0.55 -0.59 0.00 -1.53 -1.33 0.29 114.93 112.35 3k4n h MET 599 Ca 0.04 -0.03 0.11 0.00 -3.44 0.00 0.00 59.70 56.38 3k4n h MET 599 Cb 0.18 -0.12 -0.09 0.00 -0.55 0.00 0.00 31.60 31.02 3k4n h MET 599 CO -0.00 0.36 0.11 0.77 0.14 0.00 0.00 176.91 178.28 3k4n h SER 600 N 0.56 -0.04 -0.03 1.39 0.02 -1.31 0.12 113.55 114.26 3k4n h SER 600 Ca 0.28 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.23 3k4n h SER 600 Cb 0.23 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3k4n h SER 600 CO -0.21 -0.01 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.05 3k4n h LEU 601 N 0.23 0.54 0.35 5.07 3.38 -0.32 -1.39 115.31 123.17 3k4n h LEU 601 Ca 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3k4n h LEU 601 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3k4n h LEU 601 CO -0.41 0.85 -0.17 0.00 0.09 0.00 0.00 178.44 178.80 3k4n h ALA 602 N 1.18 -0.47 -0.76 1.53 0.00 0.72 -0.55 119.26 120.92 3k4n h ALA 602 Ca 0.05 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3k4n h ALA 602 Cb 0.82 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 3k4n h ALA 602 CO 0.07 -0.75 0.31 0.82 0.00 0.00 0.00 179.25 179.69 3k4n h ILE 603 N -0.49 0.66 -0.71 0.00 2.04 -0.69 -0.02 117.51 118.30 3k4n h ILE 603 Ca -0.05 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3k4n h ILE 603 Cb 0.37 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3k4n h ILE 603 CO 0.08 0.08 0.46 0.50 0.00 0.00 0.00 178.15 179.27 3k4n h LYS 604 N 0.45 0.90 -0.14 2.37 3.64 -0.65 -2.77 116.57 120.37 3k4n h LYS 604 Ca 0.42 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3k4n h LYS 604 Cb 0.63 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3k4n h LYS 604 CO -0.40 0.60 0.08 1.03 -2.27 0.00 0.00 179.45 178.48 3k4n h SER 605 N 0.93 0.18 -0.93 4.20 0.87 0.18 -2.62 113.55 116.35 3k4n h SER 605 Ca 0.27 -0.09 0.28 0.00 -1.23 0.00 0.00 61.79 61.01 3k4n h SER 605 Cb -0.07 -0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 61.69 3k4n h SER 605 CO -0.07 0.22 0.35 0.00 -0.53 0.00 0.00 176.83 176.79 3k4n h GLU 607 N 0.22 1.06 -0.47 0.00 5.08 -1.18 0.17 114.58 119.45 3k4n h GLU 607 Ca 0.63 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 3k4n h GLU 607 Cb 1.36 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 3k4n h GLU 607 CO -0.66 0.94 0.13 -0.92 -1.00 0.00 0.00 179.01 177.49 3k4n h TYR 608 N 0.99 0.21 -0.28 4.33 5.03 -1.22 -1.92 116.97 124.12 3k4n h TYR 608 Ca 0.21 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3k4n h TYR 608 Cb 0.34 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 3k4n h TYR 608 CO 0.03 0.04 0.18 0.82 -1.32 0.00 0.00 178.16 177.91 3k4n h ILE 609 N 0.28 1.07 -0.27 1.81 2.04 -0.45 -1.99 117.51 119.99 3k4n h ILE 609 Ca 0.23 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3k4n h ILE 609 Cb 0.28 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3k4n h ILE 609 CO -0.28 0.07 0.09 0.11 0.00 0.00 0.00 178.15 178.14 3k4n h LYS 610 N 0.37 0.38 0.00 2.37 1.57 -0.47 -0.12 116.57 120.66 3k4n h LYS 610 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k4n h LYS 610 Cb -0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3k4n h LYS 610 CO -0.03 0.33 0.00 1.04 -0.57 0.00 0.00 179.45 180.23 3k4n n GLN 611 N -4.41 0.45 0.00 3.15 6.02 -0.74 -4.23 117.38 117.62 3k4n n GLN 611 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3k4n n GLN 611 Cb 0.14 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3k4n n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4n n ASN 612 N -1.26 0.00 -3.69 1.08 3.02 -0.63 -5.07 115.26 108.70 3k4n n ASN 612 Ca 0.14 -0.57 -0.20 0.00 -0.03 0.00 0.00 54.58 53.92 3k4n n ASN 612 Cb 0.22 0.00 -0.18 0.00 -0.61 0.00 0.00 39.78 39.21 3k4n n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4n s PHE 613 N 0.00 0.16 0.05 3.10 0.08 -0.15 -5.05 117.98 116.16 3k4n s PHE 613 Ca 0.00 0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.93 3k4n s PHE 613 Cb 0.00 -0.52 -0.05 0.00 -0.57 0.00 0.00 43.02 41.88 3k4n s PHE 613 CO 0.00 -0.21 1.13 0.99 -0.10 0.00 0.00 175.22 177.03 3k4n s THR 614 N 2.10 4.27 0.44 0.64 2.01 -1.26 -4.76 115.64 119.08 3k4n s THR 614 Ca 0.04 1.64 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 3k4n s THR 614 Cb -0.12 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 3k4n s THR 614 CO -0.03 0.13 1.45 -0.81 -0.69 0.00 0.00 174.62 174.67 3k4n n PRO 615 N 3.88 2.35 -0.74 4.92 -0.04 -1.26 -4.97 135.00 139.14 3k4n n PRO 615 Ca 0.08 0.83 -0.32 0.00 -0.04 0.00 0.00 63.50 64.06 3k4n n PRO 615 Cb 0.48 -2.65 0.15 0.00 -0.04 0.00 0.00 33.50 31.43 3k4n n PRO 615 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k4n n SER 616 N -0.10 -0.32 -4.76 3.54 3.41 -1.26 -4.97 113.62 109.16 3k4n n SER 616 Ca 0.04 0.41 -0.40 0.00 -0.26 0.00 0.00 58.87 58.66 3k4n n SER 616 Cb 0.41 -1.40 -0.05 0.00 -0.26 0.00 0.00 64.21 62.90 3k4n n SER 616 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k4n s PRO 617 N -4.31 4.52 0.00 4.33 0.04 -1.26 -4.88 135.00 133.44 3k4n s PRO 617 Ca 0.64 1.11 0.29 0.00 0.04 0.00 0.00 61.00 63.09 3k4n s PRO 617 Cb -0.23 -3.32 1.35 0.00 0.04 0.00 0.00 34.50 32.34 3k4n s PRO 617 CO 0.60 0.40 1.91 0.34 0.04 0.00 0.00 177.00 180.29