#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 1.72 -0.14 5.64 1.51 -0.20 -5.00 117.35 120.89 3k4n s TYR 47 Ca 0.00 -1.11 -0.20 0.00 -1.01 0.00 0.00 57.07 54.76 3k4n s TYR 47 Cb 0.00 -1.06 -0.17 0.00 -0.11 0.00 0.00 41.96 40.62 3k4n s TYR 47 CO 0.00 -0.21 0.47 -0.44 -1.11 0.00 0.00 175.55 174.26 3k4n h ASP 48 N 2.24 0.00 -4.46 2.29 3.32 -1.21 -2.85 116.42 115.76 3k4n h ASP 48 Ca -0.39 -0.64 -0.63 0.00 0.02 0.00 0.00 57.03 55.39 3k4n h ASP 48 Cb 1.25 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.50 3k4n h ASP 48 CO 0.64 0.90 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.50 3k4n s VAL 49 N -2.05 1.76 -0.05 -1.35 1.01 -0.82 0.86 120.40 119.76 3k4n s VAL 49 Ca -0.14 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3k4n s VAL 49 Cb -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3k4n s VAL 49 CO 0.47 0.47 -0.15 0.68 0.00 0.00 0.00 175.10 176.57 3k4n s VAL 50 N -0.56 1.32 -0.11 2.92 -7.23 -0.51 -0.24 120.40 115.99 3k4n s VAL 50 Ca 0.09 -0.64 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 3k4n s VAL 50 Cb -0.09 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 3k4n s VAL 50 CO -0.01 0.39 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.53 3k4n s ILE 51 N 0.23 4.12 -0.35 -0.62 1.01 0.13 -0.95 121.20 124.77 3k4n s ILE 51 Ca -0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3k4n s ILE 51 Cb -0.13 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.62 3k4n s ILE 51 CO 0.03 0.55 0.12 -0.69 0.00 0.00 0.00 174.94 174.96 3k4n s VAL 52 N -0.35 3.89 0.00 2.92 1.01 -0.33 -1.01 120.40 126.54 3k4n s VAL 52 Ca 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.93 3k4n s VAL 52 Cb -0.12 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3k4n s VAL 52 CO 0.02 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3k4n n GLY 53 N 4.84 3.09 1.73 4.51 0.00 0.25 -0.52 105.19 119.09 3k4n n GLY 53 Ca -0.12 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 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 3.49 -2.73 1.61 3.41 -1.26 -4.55 113.62 113.59 3k4n n SER 54 Ca 0.00 -3.49 -0.10 0.00 -0.26 0.00 0.00 58.87 55.03 3k4n n SER 54 Cb 0.00 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.74 -1.86 0.30 5.00 0.00 -1.26 -2.53 105.19 104.10 3k4n n GLY 55 Ca 0.31 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 0.34 0.07 1.61 0.13 -1.92 -2.30 132.00 129.93 3k4n h PRO 56 Ca -0.14 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.79 3k4n h PRO 56 Cb 0.40 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 31.47 3k4n h PRO 56 CO 0.09 0.22 -0.75 0.82 -0.23 0.00 0.00 178.00 178.16 3k4n h ILE 57 N 0.35 1.46 -0.90 -3.56 1.08 -1.93 -0.21 117.51 113.79 3k4n h ILE 57 Ca 0.11 -2.31 0.10 0.00 -0.39 0.00 0.00 64.86 62.36 3k4n h ILE 57 Cb 0.02 2.88 -0.08 0.00 -3.07 0.00 0.00 36.82 36.57 3k4n h ILE 57 CO -0.02 0.67 0.54 1.23 -0.69 0.00 0.00 178.15 179.88 3k4n h GLY 58 N -0.20 1.42 1.36 5.37 0.00 -1.78 0.09 103.07 109.33 3k4n h GLY 58 Ca -0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3k4n h GLY 58 CO 0.14 0.17 0.10 0.00 0.00 0.00 0.00 176.54 176.95 3k4n h THR 60 N 0.77 0.88 -0.50 0.00 2.02 0.89 0.27 112.91 117.25 3k4n h THR 60 Ca 0.17 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 3k4n h THR 60 Cb 0.33 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3k4n h THR 60 CO 0.00 0.11 -0.07 1.88 0.37 0.00 0.00 175.52 177.82 3k4n h TYR 61 N 0.62 1.03 -0.59 3.16 0.05 -0.77 -2.93 116.97 117.54 3k4n h TYR 61 Ca 0.33 -0.20 0.07 0.00 0.05 0.00 0.00 58.73 58.98 3k4n h TYR 61 Cb 0.31 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 37.73 3k4n h TYR 61 CO -0.10 0.98 0.27 0.00 -1.05 0.00 0.00 178.16 178.26 3k4n h ALA 62 N 0.91 0.76 -0.38 3.88 0.00 0.09 -0.86 119.26 123.67 3k4n h ALA 62 Ca 0.13 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3k4n h ALA 62 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3k4n h ALA 62 CO 0.04 -0.11 -0.24 -0.09 0.00 0.00 0.00 179.25 178.85 3k4n h ARG 63 N 0.50 0.84 -0.10 0.00 2.43 -0.45 0.85 114.38 118.45 3k4n h ARG 63 Ca 0.28 -0.39 -0.24 0.00 -0.81 0.00 0.00 59.98 58.82 3k4n h ARG 63 Cb 0.26 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3k4n h ARG 63 CO -0.23 1.03 -0.87 0.93 -1.51 0.00 0.00 179.97 179.33 3k4n h GLU 64 N 0.64 0.74 0.15 0.20 4.39 -1.47 -2.71 114.58 116.53 3k4n h GLU 64 Ca 0.08 -0.67 -0.23 0.00 0.34 0.00 0.00 59.36 58.88 3k4n h GLU 64 Cb 0.81 0.16 0.02 0.00 -0.10 0.00 0.00 28.75 29.64 3k4n h GLU 64 CO 0.07 1.27 -1.06 -0.07 -1.16 0.00 0.00 179.01 178.05 3k4n h LEU 65 N 0.48 0.51 -0.92 1.33 3.38 -1.11 -1.71 115.31 117.26 3k4n h LEU 65 Ca -0.08 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 56.96 3k4n h LEU 65 Cb 1.50 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 3k4n h LEU 65 CO 0.17 1.50 0.53 0.58 0.09 0.00 0.00 178.44 181.32 3k4n h VAL 66 N -0.28 1.26 -0.51 1.22 2.07 -0.97 -1.18 116.25 117.86 3k4n h VAL 66 Ca -0.20 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3k4n h VAL 66 Cb 1.75 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3k4n h VAL 66 CO 0.15 0.28 0.10 1.23 0.02 0.00 0.00 177.57 179.35 3k4n h GLY 67 N 1.28 0.90 2.00 2.17 0.00 -1.56 -3.13 103.07 104.74 3k4n h GLY 67 Ca 0.33 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3k4n h GLY 67 CO -0.06 0.54 -0.14 0.00 0.00 0.00 0.00 176.54 176.88 3k4n h ALA 68 N 0.98 1.32 0.00 3.60 0.00 -0.96 -3.46 119.26 120.74 3k4n h ALA 68 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k4n h ALA 68 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3k4n h ALA 68 CO 0.01 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3k4n n GLY 69 N -0.67 0.63 3.91 0.00 0.00 -0.98 -5.01 105.19 103.07 3k4n n GLY 69 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.34 3.40 -0.55 1.61 1.51 -0.48 -4.72 117.35 116.78 3k4n s TYR 70 Ca 0.00 0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 56.60 3k4n s TYR 70 Cb 0.00 -2.53 0.08 0.00 -0.11 0.00 0.00 41.96 39.40 3k4n s TYR 70 CO 0.00 -0.57 0.65 0.21 -1.11 0.00 0.00 175.55 174.73 3k4n s LYS 71 N -4.88 3.07 -0.12 -0.62 2.20 -1.26 -4.16 119.74 113.97 3k4n s LYS 71 Ca 0.51 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 3k4n s LYS 71 Cb -0.10 -4.19 -0.01 0.00 -1.51 0.00 0.00 37.83 32.02 3k4n s LYS 71 CO 0.45 -1.37 -0.15 0.08 -0.36 0.00 0.00 175.35 174.00 3k4n s VAL 72 N 2.59 2.92 -0.15 4.02 1.01 -0.80 -0.70 120.40 129.30 3k4n s VAL 72 Ca 0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3k4n s VAL 72 Cb -0.22 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3k4n s VAL 72 CO 0.09 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.68 3k4n s ALA 73 N 0.33 3.03 -0.06 5.51 0.00 0.66 -2.28 121.76 128.96 3k4n s ALA 73 Ca -0.12 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.08 3k4n s ALA 73 Cb -0.16 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 3k4n s ALA 73 CO 0.06 0.26 -0.23 1.41 0.00 0.00 0.00 175.76 177.26 3k4n s MET 74 N 0.21 2.56 0.03 0.00 1.75 0.63 0.17 119.30 124.64 3k4n s MET 74 Ca -0.02 -0.86 0.07 0.00 -1.25 0.00 0.00 55.69 53.62 3k4n s MET 74 Cb -0.14 -2.21 -0.03 0.00 2.84 0.00 0.00 34.83 35.29 3k4n s MET 74 CO 0.03 0.42 -0.17 -0.06 -0.65 0.00 0.00 175.02 174.59 3k4n s PHE 75 N -0.26 2.59 -0.02 4.11 0.08 -0.18 -1.39 117.98 122.92 3k4n s PHE 75 Ca -0.00 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.82 3k4n s PHE 75 Cb -0.13 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 3k4n s PHE 75 CO 0.03 0.25 -0.01 0.34 -0.10 0.00 0.00 175.22 175.73 3k4n s ASP 76 N -1.37 0.38 0.36 1.36 -1.08 -1.13 0.88 116.67 116.07 3k4n s ASP 76 Ca 0.15 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.19 3k4n s ASP 76 Cb -0.11 -0.16 0.71 0.00 -1.46 0.00 0.00 42.92 41.90 3k4n s ASP 76 CO 0.05 -0.06 1.98 -0.29 0.52 0.00 0.00 175.17 177.37 3k4n h ILE 77 N 5.88 1.07 -3.61 4.11 2.10 -1.85 -1.14 117.51 124.07 3k4n h ILE 77 Ca -0.38 -0.27 -0.47 0.00 1.08 0.00 0.00 64.86 64.82 3k4n h ILE 77 Cb 1.15 0.22 0.06 0.00 -1.09 0.00 0.00 36.82 37.16 3k4n h ILE 77 CO 0.49 0.14 0.17 -0.83 -1.08 0.00 0.00 178.15 177.04 3k4n s GLY 78 N -3.54 1.63 0.42 8.18 0.00 -1.26 -3.87 107.32 108.89 3k4n s GLY 78 Ca -0.10 -0.79 0.08 0.00 0.00 0.00 0.00 44.72 43.91 3k4n s GLY 78 CO 0.77 -0.48 0.37 -0.54 0.00 0.00 0.00 173.10 173.22 3k4n s GLU 79 N -5.04 2.49 -0.13 2.90 2.02 -1.26 -2.89 118.70 116.81 3k4n s GLU 79 Ca 0.55 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.67 3k4n s GLU 79 Cb -0.11 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 3k4n s GLU 79 CO 0.45 -0.21 1.26 0.42 0.02 0.00 0.00 175.26 177.20 3k4n s ILE 80 N -2.50 4.23 0.00 -1.63 1.01 -1.26 -1.37 121.20 119.68 3k4n s ILE 80 Ca 0.47 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3k4n s ILE 80 Cb -0.03 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3k4n s ILE 80 CO 0.27 -0.09 0.00 -0.90 0.00 0.00 0.00 174.94 174.22 3k4n n ASP 81 N 6.19 0.00 -1.36 3.58 5.75 -1.26 -4.92 116.55 124.53 3k4n n ASP 81 Ca 0.13 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 3k4n n ASP 81 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3k4n n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k4n n SER 82 N 0.00 2.90 -0.17 -1.12 7.64 -1.26 -4.97 113.62 116.63 3k4n n SER 82 Ca 0.00 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.20 3k4n n SER 82 Cb 0.08 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 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 1.21 0.21 0.27 0.23 0.00 -1.26 -4.38 105.19 101.46 3k4n n GLY 83 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.41 3k4n n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4n h LEU 84 N 0.00 0.29 -8.09 0.99 3.38 -2.02 -3.30 115.31 106.56 3k4n h LEU 84 Ca 0.00 -0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.35 3k4n h LEU 84 Cb 0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 3k4n h LEU 84 CO 0.00 0.32 1.51 -0.54 0.09 0.00 0.00 178.44 179.82 3k4n s LYS 85 N -5.05 3.55 -0.31 1.13 1.02 -1.26 -4.94 119.74 113.87 3k4n s LYS 85 Ca -0.06 -1.14 -0.38 0.00 0.02 0.00 0.00 55.97 54.40 3k4n s LYS 85 Cb 0.16 -5.35 -0.14 0.00 -0.52 0.00 0.00 37.83 31.98 3k4n s LYS 85 CO 0.72 -2.31 1.97 -0.89 -0.92 0.00 0.00 175.35 173.93 3k4n n ILE 86 N 6.92 0.26 -0.72 2.17 5.41 -1.24 -1.05 119.36 131.10 3k4n n ILE 86 Ca 0.35 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.96 3k4n n ILE 86 Cb 0.50 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 3k4n n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k4n n GLY 87 N 5.46 0.61 3.85 7.39 0.00 -1.26 -4.49 105.19 116.74 3k4n n GLY 87 Ca 0.35 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.81 -0.02 4.61 0.00 -0.21 -2.62 121.76 124.32 3k4n s ALA 88 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 3k4n s ALA 88 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 3k4n s ALA 88 CO 0.00 -1.12 1.60 -1.58 0.00 0.00 0.00 175.76 174.66 3k4n s HIS 89 N -3.21 2.25 -1.57 0.00 2.46 -1.26 -4.67 115.29 109.28 3k4n s HIS 89 Ca 0.58 0.36 0.11 0.00 0.47 0.00 0.00 55.06 56.57 3k4n s HIS 89 Cb -0.12 -3.87 0.58 0.00 -0.13 0.00 0.00 32.58 29.04 3k4n s HIS 89 CO 0.53 -3.53 1.21 1.63 -2.47 0.00 0.00 174.74 172.11 3k4n n LYS 90 N 6.50 0.20 0.00 2.88 5.02 -0.32 -2.21 118.16 130.24 3k4n n LYS 90 Ca 0.16 0.14 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 3k4n n LYS 90 Cb 0.43 -1.50 0.37 0.00 -0.02 0.00 0.00 35.03 34.30 3k4n n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4n n LYS 91 N -1.21 0.80 -1.52 1.97 4.81 -1.26 -4.40 118.16 117.34 3k4n n LYS 91 Ca 0.06 -0.47 -0.28 0.00 -0.87 0.00 0.00 58.31 56.75 3k4n n LYS 91 Cb 0.07 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.69 6.65 -4.59 3.14 3.02 -0.94 -4.13 115.26 117.71 3k4n n ASN 92 Ca 0.12 -3.30 -0.24 0.00 -0.03 0.00 0.00 54.58 51.13 3k4n n ASN 92 Cb 0.35 -1.20 -0.08 0.00 -0.61 0.00 0.00 39.78 38.24 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 -2.71 3.00 0.18 3.41 -4.23 -1.26 -5.04 115.64 109.00 3k4n s THR 93 Ca 0.57 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3k4n s THR 93 Cb 0.39 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 3k4n s THR 93 CO -0.24 -0.34 1.51 0.58 -0.54 0.00 0.00 174.62 175.59 3k4n h VAL 94 N 1.97 1.30 0.84 2.29 2.07 -1.99 -2.81 116.25 119.93 3k4n h VAL 94 Ca -0.43 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.36 3k4n h VAL 94 Cb 1.25 1.63 0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3k4n h VAL 94 CO 0.62 0.54 -0.40 -0.08 0.02 0.00 0.00 177.57 178.26 3k4n h GLU 95 N 0.52 -1.08 -0.16 1.57 4.57 -1.96 -1.83 114.58 116.21 3k4n h GLU 95 Ca 0.03 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3k4n h GLU 95 Cb 1.03 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3k4n h GLU 95 CO 0.10 -0.71 0.11 1.88 -1.18 0.00 0.00 179.01 179.20 3k4n h TYR 96 N -1.23 0.20 0.00 0.92 0.05 -1.84 0.40 116.97 115.47 3k4n h TYR 96 Ca -0.11 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.59 3k4n h TYR 96 Cb 0.87 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 3k4n h TYR 96 CO -0.00 0.12 -0.39 1.96 -1.05 0.00 0.00 178.16 178.80 3k4n h GLN 97 N 0.21 0.00 -0.30 4.88 4.20 -1.42 -2.50 115.11 120.18 3k4n h GLN 97 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3k4n h GLN 97 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3k4n h GLN 97 CO -0.01 0.39 0.00 1.63 -0.67 0.00 0.00 178.83 180.17 3k4n n LYS 98 N -3.50 1.79 -2.80 1.46 5.02 -0.02 -4.47 118.16 115.65 3k4n n LYS 98 Ca -0.00 -1.22 -0.10 0.00 -2.02 0.00 0.00 58.31 54.97 3k4n n LYS 98 Cb 0.54 -1.31 0.07 0.00 -0.02 0.00 0.00 35.03 34.31 3k4n n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4n n ASN 99 N 0.47 -1.89 0.00 4.39 3.02 -0.32 -5.03 115.26 115.91 3k4n n ASN 99 Ca 0.13 -3.59 -0.12 0.00 -0.03 0.00 0.00 54.58 50.97 3k4n n ASN 99 Cb 0.31 1.55 -0.07 0.00 -0.61 0.00 0.00 39.78 40.96 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 2.70 1.11 -0.49 2.41 6.09 -1.71 -2.22 117.51 125.41 3k4n h ILE 100 Ca -0.07 -0.33 0.17 0.00 -1.37 0.00 0.00 64.86 63.26 3k4n h ILE 100 Cb 1.08 1.23 -0.09 0.00 0.47 0.00 0.00 36.82 39.51 3k4n h ILE 100 CO 0.19 0.09 0.12 -0.90 -3.07 0.00 0.00 178.15 174.58 3k4n n ASP 101 N -4.98 0.04 0.13 2.19 3.85 -1.26 0.05 116.55 116.56 3k4n n ASP 101 Ca -0.06 0.83 0.12 0.00 -0.71 0.00 0.00 54.79 54.97 3k4n n ASP 101 Cb 0.09 -0.35 0.47 0.00 -1.35 0.00 0.00 41.12 39.99 3k4n n ASP 101 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3k4n n LYS 102 N -4.37 0.23 0.17 0.11 4.76 -0.83 -3.29 118.16 114.93 3k4n n LYS 102 Ca 0.15 0.37 0.04 0.00 -2.87 0.00 0.00 58.31 56.00 3k4n n LYS 102 Cb 0.49 -1.88 0.23 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.04 2.13 3.57 -0.52 -3.13 116.94 117.95 3k4n h PHE 103 Ca 0.00 0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.85 3k4n h PHE 103 Cb 0.48 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.07 3k4n h PHE 103 CO 0.00 0.46 0.60 -0.24 -2.23 0.00 0.00 178.31 176.89 3k4n h VAL 104 N 0.00 0.23 -0.50 1.41 3.04 -1.74 -1.51 116.25 117.18 3k4n h VAL 104 Ca -0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 66.70 65.49 3k4n h VAL 104 Cb 1.07 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 3k4n h VAL 104 CO 0.06 0.04 -0.15 0.78 -1.01 0.00 0.00 177.57 177.29 3k4n h ASN 105 N 0.24 0.98 -0.81 3.17 -0.26 -1.81 -0.44 115.58 116.64 3k4n h ASN 105 Ca 0.76 -0.34 -0.01 0.00 -0.56 0.00 0.00 56.30 56.16 3k4n h ASN 105 Cb 1.88 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 38.83 3k4n h ASN 105 CO -0.61 1.12 0.49 0.58 -1.06 0.00 0.00 177.43 177.95 3k4n h VAL 106 N 0.86 1.23 -0.09 2.81 2.07 -1.45 -1.57 116.25 120.11 3k4n h VAL 106 Ca 0.13 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3k4n h VAL 106 Cb 0.71 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3k4n h VAL 106 CO 0.05 0.24 -0.16 0.40 0.02 0.00 0.00 177.57 178.12 3k4n h ILE 107 N 1.13 1.40 -1.00 4.57 2.04 -1.22 -3.00 117.51 121.43 3k4n h ILE 107 Ca 0.29 -1.45 0.19 0.00 1.00 0.00 0.00 64.86 64.89 3k4n h ILE 107 Cb -0.04 2.14 -0.10 0.00 -0.74 0.00 0.00 36.82 38.08 3k4n h ILE 107 CO -0.05 0.41 0.61 1.56 0.00 0.00 0.00 178.15 180.68 3k4n h GLN 108 N -0.20 0.73 -0.00 2.37 4.20 -1.04 -2.85 115.11 118.32 3k4n h GLN 108 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3k4n h GLN 108 Cb 0.74 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3k4n h GLN 108 CO 0.04 0.48 -0.05 0.41 -0.67 0.00 0.00 178.83 179.04 3k4n n GLY 109 N -1.35 -1.23 1.06 3.46 0.00 -0.60 -3.19 105.19 103.34 3k4n n GLY 109 Ca 0.23 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3k4n n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4n n GLN 110 N -1.25 0.66 -3.75 1.61 10.64 -1.09 -4.90 117.38 119.31 3k4n n GLN 110 Ca 0.13 -2.48 -0.36 0.00 -1.83 0.00 0.00 57.00 52.46 3k4n n GLN 110 Cb 0.27 -0.70 -0.10 0.00 -0.86 0.00 0.00 30.24 28.85 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 -1.35 5.17 -0.37 2.61 1.43 -1.15 -4.12 118.68 120.90 3k4n s LEU 111 Ca 0.34 -2.74 -0.22 0.00 -1.03 0.00 0.00 54.13 50.49 3k4n s LEU 111 Cb 0.36 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3k4n s LEU 111 CO -0.12 -0.39 0.71 -0.04 0.23 0.00 0.00 176.35 176.74 3k4n s MET 112 N 0.11 3.66 0.23 1.70 -1.94 -0.76 -4.81 119.30 117.48 3k4n s MET 112 Ca 0.16 0.11 -0.28 0.00 -1.71 0.00 0.00 55.69 53.96 3k4n s MET 112 Cb -0.21 -3.83 -0.16 0.00 2.01 0.00 0.00 34.83 32.64 3k4n s MET 112 CO -0.03 -0.83 0.74 0.43 -0.01 0.00 0.00 175.02 175.32 3k4n n SER 113 N 6.26 -0.17 -0.03 3.03 7.64 -1.26 -0.62 113.62 128.47 3k4n n SER 113 Ca 0.01 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 60.89 3k4n n SER 113 Cb 0.48 -1.09 -0.10 0.00 -1.01 0.00 0.00 64.21 62.50 3k4n n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4n h VAL 114 N 1.48 1.47 -2.64 0.44 2.07 -1.36 -3.45 116.25 114.26 3k4n h VAL 114 Ca -0.33 -1.74 -0.20 0.00 0.82 0.00 0.00 66.70 65.24 3k4n h VAL 114 Cb 1.40 2.47 -0.32 0.00 -1.52 0.00 0.00 31.29 33.32 3k4n h VAL 114 CO 0.59 0.49 -0.51 -0.55 0.02 0.00 0.00 177.57 177.61 3k4n s SER 115 N -6.28 0.38 -0.23 0.57 0.15 -1.26 -4.63 113.70 102.39 3k4n s SER 115 Ca -0.15 0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.97 3k4n s SER 115 Cb 0.02 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 3k4n s SER 115 CO 0.75 -0.26 -0.04 -0.69 1.20 0.00 0.00 173.24 174.20 3k4n s VAL 116 N 2.45 3.23 0.60 4.45 1.01 -1.26 -4.74 120.40 126.14 3k4n s VAL 116 Ca 0.03 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 3k4n s VAL 116 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3k4n s VAL 116 CO -0.11 0.33 1.05 -2.16 0.00 0.00 0.00 175.10 174.21 3k4n s PRO 117 N 1.43 3.35 -0.10 2.72 0.04 -1.26 0.16 135.00 141.34 3k4n s PRO 117 Ca 0.04 1.11 -0.35 0.00 0.04 0.00 0.00 61.00 61.84 3k4n s PRO 117 Cb -0.15 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3k4n s PRO 117 CO -0.04 -0.78 1.86 0.28 0.04 0.00 0.00 177.00 178.37 3k4n n VAL 118 N -2.19 0.54 -1.97 -0.36 0.31 -1.26 -4.69 118.33 108.71 3k4n n VAL 118 Ca 0.08 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 3k4n n VAL 118 Cb 0.53 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 3k4n n VAL 118 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3k4n s ASN 119 N 3.95 6.62 -0.11 4.52 3.84 -1.26 -4.95 114.94 127.55 3k4n s ASN 119 Ca 0.93 2.58 0.14 0.00 0.21 0.00 0.00 52.86 56.73 3k4n s ASN 119 Cb -0.72 -2.60 0.31 0.00 -0.55 0.00 0.00 41.25 37.69 3k4n s ASN 119 CO 0.52 -0.79 1.15 0.35 -2.79 0.00 0.00 177.10 175.55 3k4n n THR 120 N 3.81 1.29 -2.02 -5.21 -2.24 -1.26 -4.88 114.28 103.77 3k4n n THR 120 Ca 0.13 -1.96 -0.42 0.00 -2.27 0.00 0.00 64.05 59.52 3k4n n THR 120 Cb 0.39 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.93 4.36 -0.52 3.22 1.43 -1.26 -4.96 118.68 119.02 3k4n s LEU 121 Ca 0.29 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.59 3k4n s LEU 121 Cb 0.29 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.96 3k4n s LEU 121 CO -0.05 -0.79 0.96 -0.69 0.23 0.00 0.00 176.35 176.01 3k4n s VAL 122 N 1.74 4.38 -0.63 -1.59 1.01 -1.26 -4.99 120.40 119.07 3k4n s VAL 122 Ca 0.69 0.49 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 3k4n s VAL 122 Cb -0.39 -4.52 0.09 0.00 0.00 0.00 0.00 36.38 31.55 3k4n s VAL 122 CO 0.31 -1.05 0.84 -0.69 0.00 0.00 0.00 175.10 174.51 3k4n s VAL 123 N 3.98 4.56 -0.33 2.92 1.01 -1.26 -4.91 120.40 126.37 3k4n s VAL 123 Ca 0.34 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.73 3k4n s VAL 123 Cb -0.11 -4.59 0.63 0.00 0.00 0.00 0.00 36.38 32.31 3k4n s VAL 123 CO 0.22 -1.30 1.70 -0.90 0.00 0.00 0.00 175.10 174.82 3k4n n ASP 124 N 7.04 3.74 -0.42 3.32 5.68 -1.26 -4.51 116.55 130.15 3k4n n ASP 124 Ca -0.06 -3.47 0.07 0.00 -0.50 0.00 0.00 54.79 50.83 3k4n n ASP 124 Cb 0.44 -0.72 0.17 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.76 1.96 -1.54 2.12 -2.24 -1.26 -5.06 114.28 107.50 3k4n n THR 125 Ca 0.42 -2.72 -0.30 0.00 -2.27 0.00 0.00 64.05 59.18 3k4n n THR 125 Cb 1.31 -0.18 0.10 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.92 2.53 0.49 3.22 1.43 -1.26 -4.98 118.68 117.18 3k4n s LEU 126 Ca 0.35 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.50 3k4n s LEU 126 Cb 0.33 -3.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 3k4n s LEU 126 CO -0.03 -2.05 1.18 -0.55 0.23 0.00 0.00 176.35 175.12 3k4n s SER 127 N -3.90 5.96 0.66 2.29 0.15 -1.26 -4.91 113.70 112.70 3k4n s SER 127 Ca 0.61 2.32 0.36 0.00 0.70 0.00 0.00 55.95 59.94 3k4n s SER 127 Cb -0.15 -2.60 1.98 0.00 -1.71 0.00 0.00 66.02 63.54 3k4n s SER 127 CO 0.54 -1.06 2.12 -0.65 1.20 0.00 0.00 173.24 175.39 3k4n h PRO 128 N 1.78 0.00 0.00 5.44 0.11 -2.01 -1.68 132.00 135.63 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3k4n h PRO 128 CO 0.59 0.00 -0.33 1.79 -0.21 0.00 0.00 178.00 179.84 3k4n h THR 129 N 0.00 0.00 -3.92 -1.15 1.35 -2.04 -3.46 112.91 103.70 3k4n h THR 129 Ca 0.00 -0.54 -0.48 0.00 -0.55 0.00 0.00 66.41 64.85 3k4n h THR 129 Cb 0.38 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3k4n h THR 129 CO -0.00 0.00 0.40 -0.44 -0.25 0.00 0.00 175.52 175.23 3k4n s SER 130 N -4.53 7.02 0.20 5.36 0.01 -0.63 -5.00 113.70 116.13 3k4n s SER 130 Ca 0.08 1.99 -0.31 0.00 1.31 0.00 0.00 55.95 59.02 3k4n s SER 130 Cb 0.12 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 3k4n s SER 130 CO 0.67 -0.30 1.49 0.86 0.41 0.00 0.00 173.24 176.37 3k4n s TRP 131 N -1.59 3.06 -0.07 2.43 -0.00 -1.26 -4.90 118.94 116.60 3k4n s TRP 131 Ca 0.54 0.84 -0.05 0.00 -0.00 0.00 0.00 56.10 57.42 3k4n s TRP 131 Cb -0.22 -3.86 0.03 0.00 -0.00 0.00 0.00 33.47 29.42 3k4n s TRP 131 CO 0.28 -2.99 0.18 -0.65 -0.00 0.00 0.00 176.95 173.76 3k4n s GLN 132 N 0.44 0.18 0.86 5.86 -1.52 -1.26 -5.12 119.66 119.10 3k4n s GLN 132 Ca 0.65 0.31 -0.12 0.00 -1.95 0.00 0.00 55.36 54.25 3k4n s GLN 132 Cb -0.42 -0.00 0.11 0.00 -0.22 0.00 0.00 33.01 32.47 3k4n s GLN 132 CO 0.37 -0.08 1.15 0.00 -0.25 0.00 0.00 175.29 176.48 3k4n s ALA 133 N 0.52 2.20 -2.60 6.09 0.00 -1.26 -4.98 121.76 121.73 3k4n s ALA 133 Ca -0.04 -0.57 0.22 0.00 0.00 0.00 0.00 51.96 51.58 3k4n s ALA 133 Cb -0.05 -3.00 0.28 0.00 0.00 0.00 0.00 23.12 20.34 3k4n s ALA 133 CO -0.03 -1.98 1.28 0.43 0.00 0.00 0.00 175.76 175.47 3k4n n SER 134 N -3.54 3.10 -3.94 0.00 7.64 -1.26 -4.97 113.62 110.64 3k4n n SER 134 Ca 0.07 -1.95 -0.09 0.00 1.01 0.00 0.00 58.87 57.91 3k4n n SER 134 Cb 0.60 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.68 0.15 -1.20 0.44 -4.23 -1.26 -5.07 115.64 102.78 3k4n s THR 135 Ca 0.31 -1.20 -0.16 0.00 -1.18 0.00 0.00 61.69 59.47 3k4n s THR 135 Cb 0.20 -1.01 0.13 0.00 1.34 0.00 0.00 72.50 73.16 3k4n s THR 135 CO 0.29 -0.66 1.50 -0.36 -0.54 0.00 0.00 174.62 174.85 3k4n s PHE 136 N -2.90 3.22 0.84 3.99 0.08 -1.26 -4.99 117.98 116.96 3k4n s PHE 136 Ca -0.02 -1.88 -0.12 0.00 0.12 0.00 0.00 56.93 55.02 3k4n s PHE 136 Cb 0.01 -4.45 0.11 0.00 -0.57 0.00 0.00 43.02 38.11 3k4n s PHE 136 CO -0.06 -1.54 1.20 -0.59 -0.10 0.00 0.00 175.22 174.13 3k4n s PHE 137 N 2.57 2.60 0.06 0.36 -0.71 -1.26 -4.95 117.98 116.64 3k4n s PHE 137 Ca 0.45 0.61 -0.31 0.00 -1.04 0.00 0.00 56.93 56.64 3k4n s PHE 137 Cb -0.01 -3.62 -0.06 0.00 -1.21 0.00 0.00 43.02 38.12 3k4n s PHE 137 CO 0.01 -1.96 1.23 0.08 -1.34 0.00 0.00 175.22 173.23 3k4n s VAL 138 N -3.62 3.96 0.25 -2.49 1.01 -1.26 -4.88 120.40 113.36 3k4n s VAL 138 Ca 0.65 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.84 3k4n s VAL 138 Cb -0.09 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3k4n s VAL 138 CO 0.50 0.10 0.61 0.00 0.00 0.00 0.00 175.10 176.30 3k4n s ARG 139 N 1.21 1.61 -1.55 2.72 1.70 -1.26 -4.95 118.95 118.43 3k4n s ARG 139 Ca 0.59 -1.00 -0.16 0.00 -0.47 0.00 0.00 55.73 54.69 3k4n s ARG 139 Cb -0.30 0.56 0.14 0.00 -0.57 0.00 0.00 34.95 34.78 3k4n s ARG 139 CO 0.29 -0.71 0.67 0.09 -1.08 0.00 0.00 175.30 174.55 3k4n n ASN 140 N -0.41 -3.17 -0.34 -2.89 3.02 -1.26 -0.93 115.26 109.28 3k4n n ASN 140 Ca -0.05 -0.82 -0.04 0.00 -0.03 0.00 0.00 54.58 53.63 3k4n n ASN 140 Cb 0.61 -2.62 -0.02 0.00 -0.61 0.00 0.00 39.78 37.14 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 -1.26 0.66 3.70 7.41 0.00 -1.26 -5.01 105.19 109.42 3k4n n GLY 141 Ca 0.06 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3k4n n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4n s SER 142 N -2.41 3.33 -0.34 1.61 1.04 -0.11 -4.83 113.70 111.99 3k4n s SER 142 Ca 0.00 2.11 -0.07 0.00 0.48 0.00 0.00 55.95 58.46 3k4n s SER 142 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.60 3k4n s SER 142 CO 0.00 -2.83 0.12 0.21 0.98 0.00 0.00 173.24 171.72 3k4n s ASN 143 N -2.84 5.36 0.49 7.02 2.47 0.42 -4.74 114.94 123.13 3k4n s ASN 143 Ca 0.66 -1.04 0.27 0.00 0.42 0.00 0.00 52.86 53.16 3k4n s ASN 143 Cb -0.21 -1.90 1.22 0.00 -1.45 0.00 0.00 41.25 38.91 3k4n s ASN 143 CO 0.57 -0.32 1.96 1.55 -3.72 0.00 0.00 177.10 177.14 3k4n h PRO 144 N 8.26 0.00 0.00 0.43 0.13 -1.95 -2.29 132.00 136.58 3k4n h PRO 144 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3k4n h PRO 144 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3k4n h PRO 144 CO 0.61 0.16 -0.06 0.93 -0.23 0.00 0.00 178.00 179.41 3k4n h GLU 145 N 0.00 0.00 -5.79 0.86 4.39 -1.96 -3.45 114.58 108.63 3k4n h GLU 145 Ca -0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 3k4n h GLU 145 Cb 0.54 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 3k4n h GLU 145 CO 0.02 0.06 0.41 -1.14 -1.16 0.00 0.00 179.01 177.20 3k4n s GLN 146 N -3.80 3.95 0.03 2.33 2.00 -0.86 -4.98 119.66 118.33 3k4n s GLN 146 Ca -0.00 0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 53.64 3k4n s GLN 146 Cb 0.10 -3.73 -0.08 0.00 0.80 0.00 0.00 33.01 30.10 3k4n s GLN 146 CO 0.55 -0.69 1.71 0.34 -0.50 0.00 0.00 175.29 176.69 3k4n s ASP 147 N 1.63 6.59 0.56 6.67 -1.08 -1.26 -4.66 116.67 125.12 3k4n s ASP 147 Ca 0.33 2.46 0.34 0.00 -0.52 0.00 0.00 52.55 55.16 3k4n s ASP 147 Cb -0.14 -2.55 1.55 0.00 -1.46 0.00 0.00 42.92 40.32 3k4n s ASP 147 CO 0.13 -0.93 2.06 -0.65 0.52 0.00 0.00 175.17 176.30 3k4n h PRO 148 N 9.01 0.00 -0.02 4.34 0.11 -1.95 -2.59 132.00 140.90 3k4n h PRO 148 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3k4n h PRO 148 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3k4n h PRO 148 CO 0.94 0.04 -0.18 1.28 -0.21 0.00 0.00 178.00 179.87 3k4n n LEU 149 N -3.18 1.85 -1.52 2.35 4.77 -1.26 -3.85 117.00 116.15 3k4n n LEU 149 Ca -0.00 -0.62 -0.07 0.00 -0.03 0.00 0.00 56.01 55.29 3k4n n LEU 149 Cb 0.26 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 3k4n n LEU 149 CO 0.27 0.32 0.21 0.54 -1.33 0.00 0.00 177.39 177.40 3k4n n ARG 150 N 0.20 2.25 -3.41 3.23 1.74 -0.98 -4.97 116.66 114.72 3k4n n ARG 150 Ca 0.14 -3.54 -0.21 0.00 -0.77 0.00 0.00 57.85 53.47 3k4n n ARG 150 Cb 0.44 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 -3.32 5.07 -0.61 0.55 2.47 -1.23 -0.04 114.94 117.84 3k4n s ASN 151 Ca 0.42 -0.83 0.06 0.00 0.42 0.00 0.00 52.86 52.93 3k4n s ASN 151 Cb 0.38 -0.15 0.24 0.00 -1.45 0.00 0.00 41.25 40.27 3k4n s ASN 151 CO -0.03 -0.94 0.69 0.18 -3.72 0.00 0.00 177.10 173.28 3k4n n LEU 152 N -1.82 3.23 -0.23 3.21 4.77 -1.26 -4.69 117.00 120.21 3k4n n LEU 152 Ca 0.06 -5.32 0.08 0.00 -0.03 0.00 0.00 56.01 50.80 3k4n n LEU 152 Cb 0.62 -0.51 0.34 0.00 -2.33 0.00 0.00 43.42 41.54 3k4n n LEU 152 CO 0.40 2.03 1.22 0.77 -1.33 0.00 0.00 177.39 180.49 3k4n h SER 153 N 4.29 0.70 0.07 -1.43 4.64 -1.78 -0.64 113.55 119.41 3k4n h SER 153 Ca 0.18 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3k4n h SER 153 Cb 0.70 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3k4n h SER 153 CO 0.78 0.42 -0.04 1.23 -0.87 0.00 0.00 176.83 178.35 3k4n h GLY 154 N 0.78 0.00 -4.62 -0.77 0.00 -0.76 -3.45 103.07 94.25 3k4n h GLY 154 Ca 0.37 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.09 3k4n h GLY 154 CO -0.14 0.00 0.30 -1.06 0.00 0.00 0.00 176.54 175.64 3k4n n GLN 155 N -4.12 1.53 -3.79 4.80 1.13 -0.25 -3.87 117.38 112.81 3k4n n GLN 155 Ca -0.03 0.54 -0.10 0.00 -1.94 0.00 0.00 57.00 55.47 3k4n n GLN 155 Cb 0.13 -2.02 -0.05 0.00 0.11 0.00 0.00 30.24 28.40 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 -0.64 -0.60 0.19 -1.58 0.00 -1.26 -1.00 121.76 116.88 3k4n s ALA 156 Ca 0.64 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.21 3k4n s ALA 156 Cb -0.71 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 3k4n s ALA 156 CO 0.56 -0.69 0.02 0.14 0.00 0.00 0.00 175.76 175.80 3k4n s VAL 157 N -3.88 0.63 -0.14 0.00 -7.23 0.21 -4.80 120.40 105.20 3k4n s VAL 157 Ca 0.09 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 3k4n s VAL 157 Cb 0.02 -2.21 0.05 0.00 0.56 0.00 0.00 36.38 34.79 3k4n s VAL 157 CO -0.05 -0.38 0.05 -0.89 -0.31 0.00 0.00 175.10 173.51 3k4n s THR 158 N -3.70 0.23 -0.94 5.32 2.01 -1.26 -1.83 115.64 115.48 3k4n s THR 158 Ca 0.27 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 3k4n s THR 158 Cb 0.06 -0.66 0.23 0.00 0.01 0.00 0.00 72.50 72.15 3k4n s THR 158 CO 0.06 -0.06 0.85 -0.13 -0.69 0.00 0.00 174.62 174.65 3k4n s ARG 159 N 2.01 3.48 -0.11 4.92 0.52 -1.26 -4.57 118.95 123.93 3k4n s ARG 159 Ca 0.02 -3.24 -0.09 0.00 -0.52 0.00 0.00 55.73 51.90 3k4n s ARG 159 Cb -0.15 -4.09 0.04 0.00 0.52 0.00 0.00 34.95 31.26 3k4n s ARG 159 CO -0.07 -1.26 0.29 0.14 0.02 0.00 0.00 175.30 174.42 3k4n s VAL 160 N -1.29 -0.01 0.17 3.52 -7.23 -1.26 -4.18 120.40 110.11 3k4n s VAL 160 Ca 0.28 0.05 -0.32 0.00 -1.81 0.00 0.00 61.98 60.18 3k4n s VAL 160 Cb -0.08 -0.42 -0.16 0.00 0.56 0.00 0.00 36.38 36.28 3k4n s VAL 160 CO -0.11 0.02 0.93 0.52 -0.31 0.00 0.00 175.10 176.15 3k4n n VAL 161 N 3.43 1.25 0.00 1.32 0.31 -0.47 -0.28 118.33 123.90 3k4n n VAL 161 Ca -0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 3k4n n VAL 161 Cb 0.56 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 1.80 1.76 7.00 2.92 0.00 -1.05 -4.54 105.19 113.08 3k4n n GLY 162 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 1.03 0.04 -0.02 0.00 0.62 -2.38 105.19 102.49 3k4n n GLY 163 Ca 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.06 0.00 1.61 2.81 -1.26 -2.72 117.12 117.62 3k4n n MET 164 Ca 0.00 0.27 0.07 0.00 -1.81 0.00 0.00 57.70 56.24 3k4n n MET 164 Cb 0.00 -1.61 0.44 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.73 0.00 -0.61 7.83 3.41 -1.00 -1.28 113.62 120.24 3k4n n SER 165 Ca 0.04 -1.24 0.13 0.00 -0.26 0.00 0.00 58.87 57.53 3k4n n SER 165 Cb 0.21 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.77 0.00 -0.23 6.66 -2.24 -1.10 -4.33 114.28 112.27 3k4n n THR 166 Ca 0.11 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3k4n n THR 166 Cb 0.05 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.41 0.00 -1.33 4.78 -0.00 -0.87 -1.17 115.22 117.04 3k4n n HIS 167 Ca 0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.53 3k4n n HIS 167 Cb 0.46 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.55 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 0.00 2.06 -0.20 -1.40 1.48 -0.40 -4.95 118.94 115.53 3k4n s TRP 168 Ca 0.00 1.63 0.29 0.00 -1.06 0.00 0.00 56.10 56.95 3k4n s TRP 168 Cb 0.00 -3.40 1.12 0.00 -1.16 0.00 0.00 33.47 30.04 3k4n s TRP 168 CO 0.00 -2.51 1.85 1.15 -4.06 0.00 0.00 176.95 173.38 3k4n h THR 169 N -0.58 0.00 0.00 0.66 2.02 -1.98 -3.48 112.91 109.56 3k4n h THR 169 Ca -0.47 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3k4n h THR 169 Cb 1.28 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3k4n h THR 169 CO 0.49 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.38 3k4n s ALA 171 N -2.00 3.63 -0.46 0.00 0.00 -1.26 -0.51 121.76 121.16 3k4n s ALA 171 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.89 3k4n s ALA 171 Cb 0.00 -3.70 0.26 0.00 0.00 0.00 0.00 23.12 19.68 3k4n s ALA 171 CO 0.00 -1.29 0.62 0.25 0.00 0.00 0.00 175.76 175.34 3k4n n THR 172 N 5.34 0.29 -2.24 0.00 -2.24 -0.86 -4.83 114.28 109.74 3k4n n THR 172 Ca 0.16 -4.44 -0.27 0.00 -2.27 0.00 0.00 64.05 57.22 3k4n n THR 172 Cb 0.43 -1.81 0.04 0.00 -2.10 0.00 0.00 70.33 66.89 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 -1.73 2.83 0.43 -0.78 0.04 -1.26 -4.75 135.00 129.77 3k4n s PRO 173 Ca 0.37 0.10 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 3k4n s PRO 173 Cb 0.19 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3k4n s PRO 173 CO -0.08 -0.84 0.70 1.03 0.04 0.00 0.00 177.00 177.84 3k4n s ARG 174 N -5.11 3.53 -0.07 4.56 0.52 -1.26 -4.69 118.95 116.43 3k4n s ARG 174 Ca 0.56 0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.62 3k4n s ARG 174 Cb -0.11 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 3k4n s ARG 174 CO 0.47 -0.06 0.43 -0.06 0.02 0.00 0.00 175.30 176.09 3k4n s PHE 175 N -2.56 3.60 0.97 -0.53 0.40 -1.26 -4.98 117.98 113.61 3k4n s PHE 175 Ca 0.45 0.90 -0.16 0.00 -0.60 0.00 0.00 56.93 57.52 3k4n s PHE 175 Cb -0.10 -2.42 0.19 0.00 0.51 0.00 0.00 43.02 41.20 3k4n s PHE 175 CO 0.41 0.37 1.27 0.16 0.70 0.00 0.00 175.22 178.13 3k4n s ASP 176 N -0.09 3.05 0.44 1.36 -4.77 -1.26 -4.79 116.67 110.61 3k4n s ASP 176 Ca 0.24 0.41 0.15 0.00 -3.30 0.00 0.00 52.55 50.04 3k4n s ASP 176 Cb -0.16 -0.56 1.06 0.00 -1.09 0.00 0.00 42.92 42.18 3k4n s ASP 176 CO 0.11 -2.79 1.99 0.03 0.70 0.00 0.00 175.17 175.21 3k4n h ARG 177 N -1.68 0.35 0.00 2.11 3.08 -1.99 -2.39 114.38 113.87 3k4n h ARG 177 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3k4n h ARG 177 Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3k4n h ARG 177 CO 0.42 0.23 0.00 1.49 -1.07 0.00 0.00 179.97 181.05 3k4n h GLU 178 N 0.37 0.00 -0.00 0.04 4.81 -1.98 -2.92 114.58 114.89 3k4n h GLU 178 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3k4n h GLU 178 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3k4n h GLU 178 CO -0.07 0.00 -0.49 1.04 -0.73 0.00 0.00 179.01 178.77 3k4n n GLN 179 N -2.49 2.38 -3.03 1.92 6.02 -0.92 -4.85 117.38 116.40 3k4n n GLN 179 Ca 0.03 -0.28 -0.35 0.00 -0.01 0.00 0.00 57.00 56.39 3k4n n GLN 179 Cb 0.34 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 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 -2.02 4.26 0.39 -1.09 3.52 -1.09 -4.60 118.95 118.32 3k4n s ARG 180 Ca 0.07 0.93 -0.23 0.00 -0.13 0.00 0.00 55.73 56.37 3k4n s ARG 180 Cb 0.10 -2.73 -0.10 0.00 -1.56 0.00 0.00 34.95 30.65 3k4n s ARG 180 CO 0.46 0.30 0.95 -1.25 -0.81 0.00 0.00 175.30 174.95 3k4n s PRO 181 N -2.26 4.37 0.12 5.12 0.05 -1.26 -4.96 135.00 136.17 3k4n s PRO 181 Ca 0.48 1.21 -0.31 0.00 0.05 0.00 0.00 61.00 62.43 3k4n s PRO 181 Cb -0.15 -2.43 -0.09 0.00 0.05 0.00 0.00 34.50 31.87 3k4n s PRO 181 CO 0.20 0.09 1.64 -0.51 0.05 0.00 0.00 177.00 178.47 3k4n s LEU 182 N -2.73 4.37 -0.10 -3.56 1.43 -1.26 -4.93 118.68 111.91 3k4n s LEU 182 Ca 0.57 2.59 0.16 0.00 -1.03 0.00 0.00 54.13 56.42 3k4n s LEU 182 Cb -0.13 -3.58 -0.24 0.00 0.03 0.00 0.00 46.19 42.27 3k4n s LEU 182 CO 0.18 -0.88 0.21 0.18 0.23 0.00 0.00 176.35 176.26 3k4n n LEU 183 N 4.90 0.00 -4.20 1.79 4.77 -1.26 -4.91 117.00 118.09 3k4n n LEU 183 Ca 0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 3k4n n LEU 183 Cb 0.39 0.23 -0.16 0.00 -2.33 0.00 0.00 43.42 41.55 3k4n n LEU 183 CO 0.63 0.23 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.70 3k4n s VAL 184 N -2.78 1.59 0.45 4.08 1.01 -1.26 -5.03 120.40 118.46 3k4n s VAL 184 Ca -0.07 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 3k4n s VAL 184 Cb 0.08 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 3k4n s VAL 184 CO 0.71 0.45 0.87 -0.54 0.00 0.00 0.00 175.10 176.59 3k4n s LYS 185 N -0.33 3.87 -1.59 2.72 1.02 -1.26 -4.49 119.74 119.69 3k4n s LYS 185 Ca 0.04 0.71 -0.12 0.00 0.02 0.00 0.00 55.97 56.62 3k4n s LYS 185 Cb -0.09 -2.28 0.10 0.00 -0.52 0.00 0.00 37.83 35.04 3k4n s LYS 185 CO 0.00 -0.13 0.65 -0.25 -0.92 0.00 0.00 175.35 174.70 3k4n n ASP 186 N -1.36 -2.26 -2.66 2.83 8.00 -1.26 -4.76 116.55 115.08 3k4n n ASP 186 Ca 0.04 -1.01 -0.04 0.00 0.71 0.00 0.00 54.79 54.50 3k4n n ASP 186 Cb 0.54 -2.89 0.08 0.00 -0.02 0.00 0.00 41.12 38.83 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 -2.78 -1.16 0.07 -2.24 -0.08 -1.26 -5.04 116.55 104.05 3k4n n ASP 187 Ca -0.07 -1.65 0.09 0.00 -1.51 0.00 0.00 54.79 51.65 3k4n n ASP 187 Cb 0.57 0.63 0.38 0.00 2.34 0.00 0.00 41.12 45.04 3k4n n ASP 187 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k4n n ALA 188 N 1.47 1.56 -0.07 -1.67 0.00 -1.26 0.32 120.51 120.86 3k4n n ALA 188 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 3k4n n ALA 188 Cb 0.71 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 3k4n n ALA 188 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k4n n ASP 189 N -1.87 1.98 -0.21 0.00 8.00 -1.26 -1.79 116.55 121.41 3k4n n ASP 189 Ca 0.02 0.30 0.02 0.00 0.71 0.00 0.00 54.79 55.84 3k4n n ASP 189 Cb 0.17 -0.89 0.12 0.00 -0.02 0.00 0.00 41.12 40.50 3k4n n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k4n h ALA 190 N -0.29 0.68 -0.03 2.24 0.00 -1.85 0.71 119.26 120.72 3k4n h ALA 190 Ca -0.42 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3k4n h ALA 190 Cb 1.65 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3k4n h ALA 190 CO -0.11 -0.37 -0.49 0.22 0.00 0.00 0.00 179.25 178.50 3k4n h ASP 191 N 0.17 0.08 -0.46 0.00 3.58 -0.23 -1.56 116.42 118.00 3k4n h ASP 191 Ca 0.34 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 3k4n h ASP 191 Cb 0.54 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 3k4n h ASP 191 CO -0.50 0.56 -0.20 0.44 -2.88 0.00 0.00 179.24 176.67 3k4n h ASP 192 N 0.06 0.97 0.14 2.28 5.19 -0.92 -3.11 116.42 121.03 3k4n h ASP 192 Ca 0.00 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 3k4n h ASP 192 Cb 0.89 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3k4n h ASP 192 CO 0.07 1.14 -0.07 0.00 -3.12 0.00 0.00 179.24 177.26 3k4n h ALA 193 N 0.85 -0.19 -0.66 3.45 0.00 -0.23 -1.02 119.26 121.46 3k4n h ALA 193 Ca 0.11 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.00 3k4n h ALA 193 Cb 0.77 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 3k4n h ALA 193 CO 0.06 -0.46 0.05 1.49 0.00 0.00 0.00 179.25 180.39 3k4n h GLU 194 N -0.49 0.15 -0.23 0.00 4.57 -1.45 -0.26 114.58 116.87 3k4n h GLU 194 Ca -0.02 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 3k4n h GLU 194 Cb 0.38 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3k4n h GLU 194 CO 0.03 0.10 -0.36 -1.49 -1.18 0.00 0.00 179.01 176.11 3k4n h TRP 195 N 0.15 0.82 -0.53 0.92 4.06 -1.50 -0.57 115.95 119.30 3k4n h TRP 195 Ca 0.35 -0.28 0.04 0.00 2.06 0.00 0.00 58.89 61.07 3k4n h TRP 195 Cb 0.59 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.56 3k4n h TRP 195 CO -0.34 1.03 0.35 0.22 -3.56 0.00 0.00 178.44 176.14 3k4n h ASP 196 N 0.37 0.47 0.00 -3.49 3.58 -0.89 0.27 116.42 116.73 3k4n h ASP 196 Ca 0.02 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3k4n h ASP 196 Cb 0.95 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.90 3k4n h ASP 196 CO 0.08 0.32 -0.12 -0.09 -2.88 0.00 0.00 179.24 176.56 3k4n h ARG 197 N 0.55 0.07 -0.01 0.28 2.43 -0.98 -1.25 114.38 115.48 3k4n h ARG 197 Ca 0.22 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3k4n h ARG 197 Cb 0.19 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3k4n h ARG 197 CO -0.06 0.88 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.20 3k4n h LEU 198 N -0.70 -0.03 -1.15 3.80 3.38 -0.82 -2.32 115.31 117.48 3k4n h LEU 198 Ca -0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3k4n h LEU 198 Cb 0.92 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3k4n h LEU 198 CO 0.02 -0.01 0.04 1.88 0.09 0.00 0.00 178.44 180.46 3k4n h TYR 199 N -0.01 0.65 -0.42 1.13 0.05 -0.54 0.14 116.97 117.97 3k4n h TYR 199 Ca 0.01 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 3k4n h TYR 199 Cb 0.02 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 3k4n h TYR 199 CO -0.09 0.60 -0.07 1.15 -1.05 0.00 0.00 178.16 178.70 3k4n h THR 200 N 0.60 1.25 -0.23 -2.88 2.02 -1.19 -1.26 112.91 111.22 3k4n h THR 200 Ca 0.13 -1.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.07 3k4n h THR 200 Cb 0.33 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3k4n h THR 200 CO 0.01 0.37 -0.51 0.50 0.37 0.00 0.00 175.52 176.25 3k4n h LYS 201 N 0.67 0.66 -0.33 6.66 3.64 -0.59 -2.85 116.57 124.44 3k4n h LYS 201 Ca 0.12 -0.40 -0.18 0.00 -1.27 0.00 0.00 60.65 58.92 3k4n h LYS 201 Cb 0.52 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3k4n h LYS 201 CO 0.03 1.02 -0.49 0.00 -2.27 0.00 0.00 179.45 177.74 3k4n h ALA 202 N 0.91 0.50 -0.78 5.00 0.00 -0.62 -2.77 119.26 121.50 3k4n h ALA 202 Ca 0.02 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.51 3k4n h ALA 202 Cb 1.07 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3k4n h ALA 202 CO 0.10 0.68 0.45 0.93 0.00 0.00 0.00 179.25 181.41 3k4n h GLU 203 N 0.72 0.77 -0.17 0.00 5.08 -1.28 -2.71 114.58 116.99 3k4n h GLU 203 Ca 0.03 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3k4n h GLU 203 Cb 1.09 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3k4n h GLU 203 CO 0.11 0.51 -0.03 1.03 -1.00 0.00 0.00 179.01 179.64 3k4n h SER 204 N 0.80 -0.12 -0.77 1.42 0.87 -1.24 -0.47 113.55 114.03 3k4n h SER 204 Ca 0.36 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 61.08 3k4n h SER 204 Cb 0.25 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 3k4n h SER 204 CO -0.21 -0.04 0.51 1.88 -0.53 0.00 0.00 176.83 178.44 3k4n h TYR 205 N 0.02 0.68 0.00 2.24 -1.99 -1.25 -2.65 116.97 114.02 3k4n h TYR 205 Ca 0.08 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3k4n h TYR 205 Cb 0.11 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.63 3k4n h TYR 205 CO -0.18 0.30 -0.96 1.19 -0.00 0.00 0.00 178.16 178.51 3k4n n PHE 206 N -4.50 0.30 -3.23 4.88 3.72 -1.04 -3.55 117.46 114.04 3k4n n PHE 206 Ca 0.14 0.09 -0.10 0.00 -0.05 0.00 0.00 57.45 57.52 3k4n n PHE 206 Cb 0.39 -0.46 0.04 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.97 -1.74 -3.04 -1.08 1.13 -0.30 -3.96 117.38 106.41 3k4n n GLN 207 Ca 0.02 1.09 -0.39 0.00 -1.94 0.00 0.00 57.00 55.78 3k4n n GLN 207 Cb 0.43 -5.53 -0.05 0.00 0.11 0.00 0.00 30.24 25.20 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 -3.22 4.65 0.11 5.09 2.01 -0.50 -1.66 115.64 122.12 3k4n s THR 208 Ca 0.25 1.56 -0.14 0.00 0.31 0.00 0.00 61.69 63.68 3k4n s THR 208 Cb -0.04 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.41 3k4n s THR 208 CO 0.76 0.43 0.33 -0.83 -0.69 0.00 0.00 174.62 174.62 3k4n s GLY 209 N -0.48 -0.15 -0.09 4.40 0.00 -0.76 -4.89 107.32 105.35 3k4n s GLY 209 Ca 0.36 -0.22 0.13 0.00 0.00 0.00 0.00 44.72 44.99 3k4n s GLY 209 CO 0.23 -0.45 1.09 -1.30 0.00 0.00 0.00 173.10 172.66 3k4n n THR 210 N -0.12 1.44 -1.59 0.90 -2.24 -1.26 -1.00 114.28 110.40 3k4n n THR 210 Ca -0.16 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 3k4n n THR 210 Cb 0.63 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.05 0.00 0.07 3.42 5.75 -1.26 -4.53 116.55 118.95 3k4n n ASP 211 Ca 0.11 -1.58 0.07 0.00 -0.01 0.00 0.00 54.79 53.38 3k4n n ASP 211 Cb 0.58 -0.12 0.32 0.00 -1.03 0.00 0.00 41.12 40.87 3k4n n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4n n GLN 212 N 0.00 0.07 -0.19 0.11 3.00 -1.26 -3.00 117.38 116.11 3k4n n GLN 212 Ca 0.00 0.46 0.07 0.00 -0.01 0.00 0.00 57.00 57.52 3k4n n GLN 212 Cb 0.62 -1.69 0.10 0.00 0.00 0.00 0.00 30.24 29.27 3k4n n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4n n PHE 213 N -1.84 0.00 0.50 1.08 3.01 -1.26 -4.82 117.46 114.13 3k4n n PHE 213 Ca 0.01 -0.72 0.11 0.00 1.01 0.00 0.00 57.45 57.86 3k4n n PHE 213 Cb 0.09 -0.12 0.44 0.00 -0.01 0.00 0.00 39.48 39.89 3k4n n PHE 213 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3k4n n LYS 214 N -1.03 0.15 -0.47 -1.08 2.85 -1.16 -1.94 118.16 115.47 3k4n n LYS 214 Ca 0.11 0.32 0.08 0.00 -1.05 0.00 0.00 58.31 57.78 3k4n n LYS 214 Cb 0.65 -1.75 0.28 0.00 -0.65 0.00 0.00 35.03 33.56 3k4n n LYS 214 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3k4n n GLU 215 N -2.02 3.33 -2.49 -1.58 -0.58 -1.26 -4.91 120.64 111.14 3k4n n GLU 215 Ca 0.03 -2.69 -0.42 0.00 -0.42 0.00 0.00 57.16 53.66 3k4n n GLU 215 Cb 0.25 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 3k4n n GLU 215 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3k4n s SER 216 N -1.29 7.12 0.07 1.62 0.15 -0.82 -4.84 113.70 115.71 3k4n s SER 216 Ca 0.41 1.87 -0.20 0.00 0.70 0.00 0.00 55.95 58.73 3k4n s SER 216 Cb 0.29 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.92 3k4n s SER 216 CO 0.16 -0.48 1.54 0.40 1.20 0.00 0.00 173.24 176.06 3k4n h ILE 217 N 4.75 1.22 -0.65 6.45 2.04 -1.91 -3.06 117.51 126.36 3k4n h ILE 217 Ca -0.39 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 64.77 3k4n h ILE 217 Cb 1.19 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3k4n h ILE 217 CO 0.83 0.22 0.43 0.03 0.00 0.00 0.00 178.15 179.66 3k4n h ARG 218 N 0.08 0.80 0.29 2.37 3.08 -1.93 -1.84 114.38 117.23 3k4n h ARG 218 Ca 0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3k4n h ARG 218 Cb 0.31 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3k4n h ARG 218 CO 0.00 0.53 -0.14 1.25 -1.07 0.00 0.00 179.97 180.55 3k4n h HIS 219 N 0.82 -0.36 -0.46 3.04 2.76 -1.79 -2.65 115.15 116.52 3k4n h HIS 219 Ca 0.25 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 3k4n h HIS 219 Cb -0.02 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 3k4n h HIS 219 CO -0.00 -0.08 0.02 -0.91 -1.30 0.00 0.00 177.93 175.66 3k4n h ASN 220 N -0.61 0.70 -0.82 3.26 2.35 -1.52 0.31 115.58 119.26 3k4n h ASN 220 Ca -0.04 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3k4n h ASN 220 Cb 0.44 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3k4n h ASN 220 CO 0.06 0.76 0.48 0.25 -1.65 0.00 0.00 177.43 177.33 3k4n h LEU 221 N 0.70 1.00 0.00 1.61 5.85 -1.18 0.46 115.31 123.75 3k4n h LEU 221 Ca 0.14 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3k4n h LEU 221 Cb 0.40 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3k4n h LEU 221 CO 0.01 0.78 -0.00 0.58 -0.34 0.00 0.00 178.44 179.47 3k4n h VAL 222 N 1.13 1.62 -0.62 1.05 2.07 -1.39 -2.49 116.25 117.61 3k4n h VAL 222 Ca 0.29 -2.11 0.13 0.00 0.82 0.00 0.00 66.70 65.83 3k4n h VAL 222 Cb -0.01 3.01 -0.11 0.00 -1.52 0.00 0.00 31.29 32.65 3k4n h VAL 222 CO -0.05 0.53 -0.04 0.25 0.02 0.00 0.00 177.57 178.28 3k4n h LEU 223 N -0.94 -0.36 -0.05 2.57 5.85 -0.21 -1.74 115.31 120.43 3k4n h LEU 223 Ca -0.00 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3k4n h LEU 223 Cb 0.87 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3k4n h LEU 223 CO 0.00 -0.15 -0.02 0.78 -0.34 0.00 0.00 178.44 178.72 3k4n h ASN 224 N 0.08 0.10 -0.66 1.25 2.35 -0.17 -2.10 115.58 116.43 3k4n h ASN 224 Ca 0.32 -0.39 0.10 0.00 -0.55 0.00 0.00 56.30 55.79 3k4n h ASN 224 Cb 0.52 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.78 3k4n h ASN 224 CO -0.57 0.46 0.26 0.50 -1.65 0.00 0.00 177.43 176.44 3k4n h LYS 225 N -0.27 0.43 0.00 0.81 1.63 -1.11 0.12 116.57 118.18 3k4n h LYS 225 Ca 0.01 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 3k4n h LYS 225 Cb 0.42 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 3k4n h LYS 225 CO 0.01 0.29 -0.35 -0.07 -3.45 0.00 0.00 179.45 175.87 3k4n h LEU 226 N 0.44 0.00 -0.15 5.20 3.38 -1.31 0.60 115.31 123.47 3k4n h LEU 226 Ca 0.34 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 3k4n h LEU 226 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k4n h LEU 226 CO -0.32 0.35 -0.29 0.74 0.09 0.00 0.00 178.44 179.01 3k4n h THR 227 N 0.00 1.36 -0.09 0.22 2.02 -0.15 -1.96 112.91 114.31 3k4n h THR 227 Ca -0.00 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.64 3k4n h THR 227 Cb 0.64 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3k4n h THR 227 CO 0.05 0.46 0.04 -0.33 0.37 0.00 0.00 175.52 176.11 3k4n h GLU 228 N 0.08 0.09 -0.67 6.66 5.08 -0.72 0.94 114.58 126.03 3k4n h GLU 228 Ca 0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3k4n h GLU 228 Cb 0.88 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3k4n h GLU 228 CO 0.06 0.06 0.44 0.93 -1.00 0.00 0.00 179.01 179.50 3k4n h GLU 229 N 0.09 0.86 -0.01 2.33 4.39 -0.77 -2.48 114.58 118.99 3k4n h GLU 229 Ca 0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3k4n h GLU 229 Cb 0.01 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3k4n h GLU 229 CO -0.03 0.57 -0.33 0.66 -1.16 0.00 0.00 179.01 178.72 3k4n n TYR 230 N -4.64 0.00 -0.26 4.33 4.01 -0.75 -5.00 117.16 114.85 3k4n n TYR 230 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3k4n n TYR 230 Cb 0.04 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3k4n n TYR 230 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3k4n n LYS 231 N -0.44 -0.00 -4.32 -0.72 2.85 0.30 0.96 118.16 116.79 3k4n n LYS 231 Ca 0.11 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.04 3k4n n LYS 231 Cb 0.39 -0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.68 3k4n n LYS 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3k4n n GLY 232 N 0.75 -0.22 0.03 2.58 0.00 -1.26 -4.79 105.19 102.28 3k4n n GLY 232 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.43 0.00 -4.09 1.61 6.02 0.27 -5.09 117.38 111.67 3k4n n GLN 233 Ca -0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.65 3k4n n GLN 233 Cb 0.62 -0.78 -0.14 0.00 1.02 0.00 0.00 30.24 30.97 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 -1.60 0.39 -0.14 -1.09 1.81 -1.24 -5.10 118.95 111.98 3k4n s ARG 234 Ca 0.00 -0.31 -0.08 0.00 -1.72 0.00 0.00 55.73 53.62 3k4n s ARG 234 Cb 0.00 -0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.14 3k4n s ARG 234 CO 0.00 0.08 0.14 -0.51 -0.68 0.00 0.00 175.30 174.33 3k4n s ASP 235 N -0.49 6.34 0.12 0.23 1.01 -1.26 -4.67 116.67 117.95 3k4n s ASP 235 Ca -0.02 0.40 0.11 0.00 0.71 0.00 0.00 52.55 53.75 3k4n s ASP 235 Cb -0.04 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 3k4n s ASP 235 CO -0.00 0.33 -0.27 -0.36 0.21 0.00 0.00 175.17 175.08 3k4n s PHE 236 N -0.58 2.31 0.37 4.23 0.40 -1.26 -4.24 117.98 119.21 3k4n s PHE 236 Ca 0.13 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 3k4n s PHE 236 Cb -0.12 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.20 3k4n s PHE 236 CO 0.02 0.32 0.74 1.14 0.70 0.00 0.00 175.22 178.15 3k4n s GLN 237 N -2.00 2.16 0.27 0.44 -2.07 -0.73 -5.02 119.66 112.70 3k4n s GLN 237 Ca 0.14 -1.45 -0.29 0.00 -1.82 0.00 0.00 55.36 51.94 3k4n s GLN 237 Cb -0.10 0.60 -0.09 0.00 -1.09 0.00 0.00 33.01 32.33 3k4n s GLN 237 CO 0.06 -1.00 1.12 -1.14 -1.32 0.00 0.00 175.29 173.01 3k4n s GLN 238 N -2.54 4.61 0.09 9.60 0.74 -1.26 -1.92 119.66 128.98 3k4n s GLN 238 Ca 0.17 1.83 -0.36 0.00 0.05 0.00 0.00 55.36 57.05 3k4n s GLN 238 Cb -0.05 -3.19 -0.17 0.00 1.10 0.00 0.00 33.01 30.70 3k4n s GLN 238 CO 0.12 0.15 1.17 -0.89 -0.55 0.00 0.00 175.29 175.30 3k4n n ILE 239 N 1.33 0.33 -2.31 -2.34 5.41 0.20 -4.78 119.36 117.22 3k4n n ILE 239 Ca -0.00 -0.08 -0.40 0.00 1.00 0.00 0.00 62.75 63.26 3k4n n ILE 239 Cb 0.45 -0.55 -0.03 0.00 -0.71 0.00 0.00 39.64 38.80 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 0.05 4.46 -0.08 0.38 0.02 -1.26 -4.70 135.00 133.88 3k4n s PRO 240 Ca 0.82 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.79 3k4n s PRO 240 Cb -1.02 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 30.46 3k4n s PRO 240 CO 0.52 -0.01 0.17 -0.51 -0.33 0.00 0.00 177.00 176.83 3k4n s LEU 241 N -1.70 0.41 -0.98 -5.54 1.43 -0.17 -2.02 118.68 110.11 3k4n s LEU 241 Ca 0.48 0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 3k4n s LEU 241 Cb -0.35 0.39 0.06 0.00 0.03 0.00 0.00 46.19 46.32 3k4n s LEU 241 CO 0.46 -0.18 1.39 0.00 0.23 0.00 0.00 176.35 178.25 3k4n s ALA 242 N 1.56 2.78 -0.29 4.21 0.00 0.34 -1.83 121.76 128.53 3k4n s ALA 242 Ca -0.05 -2.22 -0.25 0.00 0.00 0.00 0.00 51.96 49.44 3k4n s ALA 242 Cb -0.12 -4.45 0.17 0.00 0.00 0.00 0.00 23.12 18.73 3k4n s ALA 242 CO -0.06 -3.51 1.31 0.00 0.00 0.00 0.00 175.76 173.49 3k4n s ALA 243 N 4.81 -2.14 -0.13 0.00 0.00 -0.67 -0.47 121.76 123.17 3k4n s ALA 243 Ca 0.43 1.74 0.02 0.00 0.00 0.00 0.00 51.96 54.15 3k4n s ALA 243 Cb -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3k4n s ALA 243 CO -0.07 -0.15 -0.17 0.99 0.00 0.00 0.00 175.76 176.36 3k4n s THR 244 N 0.03 1.69 0.18 0.00 2.01 0.05 -4.68 115.64 114.92 3k4n s THR 244 Ca 0.06 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 3k4n s THR 244 Cb -0.05 -1.54 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 3k4n s THR 244 CO -0.12 0.48 1.13 -0.60 -0.69 0.00 0.00 174.62 174.81 3k4n s ARG 245 N 1.09 4.56 -0.13 4.92 3.52 -1.26 0.95 118.95 132.60 3k4n s ARG 245 Ca -0.03 1.76 0.06 0.00 -0.13 0.00 0.00 55.73 57.39 3k4n s ARG 245 Cb -0.14 -3.27 -0.12 0.00 -1.56 0.00 0.00 34.95 29.86 3k4n s ARG 245 CO -0.05 0.03 -0.05 0.54 -0.81 0.00 0.00 175.30 174.96 3k4n n ARG 246 N 2.40 1.25 -3.88 5.12 5.12 0.13 -4.84 116.66 121.95 3k4n n ARG 246 Ca 0.03 0.04 -0.09 0.00 -1.93 0.00 0.00 57.85 55.90 3k4n n ARG 246 Cb 0.46 -1.29 -0.06 0.00 -1.16 0.00 0.00 32.46 30.40 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 -4.91 -0.03 0.64 0.55 1.04 -0.76 -4.96 113.70 105.27 3k4n s SER 247 Ca -0.13 -0.73 0.23 0.00 0.48 0.00 0.00 55.95 55.80 3k4n s SER 247 Cb 0.04 0.46 1.18 0.00 0.10 0.00 0.00 66.02 67.81 3k4n s SER 247 CO 0.40 -0.92 1.66 -0.65 0.98 0.00 0.00 173.24 174.71 3k4n h PRO 248 N 2.47 0.00 0.00 4.02 0.11 -2.01 -2.23 132.00 134.36 3k4n h PRO 248 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3k4n h PRO 248 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3k4n h PRO 248 CO 0.46 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.50 3k4n n THR 249 N -3.05 0.03 -3.97 -1.15 -2.24 -1.26 -4.74 114.28 97.90 3k4n n THR 249 Ca 0.04 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 3k4n n THR 249 Cb 0.71 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.03 1.93 -0.16 4.78 2.19 -0.84 -4.90 117.98 120.95 3k4n s PHE 250 Ca 0.00 -1.08 -0.08 0.00 0.33 0.00 0.00 56.93 56.10 3k4n s PHE 250 Cb 0.00 -1.46 -0.04 0.00 -1.31 0.00 0.00 43.02 40.20 3k4n s PHE 250 CO 0.00 -0.62 0.13 0.08 1.83 0.00 0.00 175.22 176.64 3k4n s VAL 251 N 1.56 5.44 -0.67 3.12 1.01 -1.26 0.17 120.40 129.77 3k4n s VAL 251 Ca 0.04 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 3k4n s VAL 251 Cb -0.13 -3.42 0.17 0.00 0.00 0.00 0.00 36.38 32.99 3k4n s VAL 251 CO -0.10 0.54 0.63 -0.70 0.00 0.00 0.00 175.10 175.47 3k4n s GLU 252 N -0.37 3.27 0.33 2.72 2.12 0.27 -4.85 118.70 122.19 3k4n s GLU 252 Ca 0.12 -2.02 -0.28 0.00 0.36 0.00 0.00 54.97 53.15 3k4n s GLU 252 Cb -0.12 -4.36 -0.09 0.00 0.26 0.00 0.00 34.13 29.82 3k4n s GLU 252 CO 0.01 -1.33 1.15 -1.58 -0.54 0.00 0.00 175.26 172.97 3k4n s TRP 253 N 1.05 3.31 0.67 5.30 0.52 -1.26 -0.77 118.94 127.76 3k4n s TRP 253 Ca 0.10 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.72 3k4n s TRP 253 Cb -0.21 -3.36 -0.00 0.00 -1.15 0.00 0.00 33.47 28.74 3k4n s TRP 253 CO -0.02 -0.99 1.06 -1.12 0.02 0.00 0.00 176.95 175.90 3k4n s SER 254 N -0.96 5.71 0.27 2.95 0.01 0.38 -4.45 113.70 117.61 3k4n s SER 254 Ca 0.50 1.20 -0.20 0.00 1.31 0.00 0.00 55.95 58.76 3k4n s SER 254 Cb -0.32 -2.09 0.06 0.00 0.21 0.00 0.00 66.02 63.88 3k4n s SER 254 CO 0.41 -1.17 0.92 -0.94 0.41 0.00 0.00 173.24 172.87 3k4n s SER 255 N -4.30 -0.02 0.32 2.44 1.04 -1.26 -4.69 113.70 107.23 3k4n s SER 255 Ca 0.57 -0.84 0.09 0.00 0.48 0.00 0.00 55.95 56.25 3k4n s SER 255 Cb -0.11 0.65 0.94 0.00 0.10 0.00 0.00 66.02 67.60 3k4n s SER 255 CO 0.52 -1.28 1.64 0.00 0.98 0.00 0.00 173.24 175.10 3k4n h ALA 256 N 2.00 1.64 -0.89 5.32 0.00 -1.75 0.18 119.26 125.76 3k4n h ALA 256 Ca -0.29 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.04 3k4n h ALA 256 Cb 1.23 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 3k4n h ALA 256 CO 0.36 -0.58 0.43 -0.97 0.00 0.00 0.00 179.25 178.50 3k4n h ASN 257 N 0.21 0.44 -0.79 0.00 -0.73 -1.63 -0.88 115.58 112.20 3k4n h ASN 257 Ca 0.66 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.94 3k4n h ASN 257 Cb 1.48 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 40.11 3k4n h ASN 257 CO -0.68 0.10 0.42 0.74 -0.37 0.00 0.00 177.43 177.64 3k4n h THR 258 N 0.51 1.24 -0.32 -3.57 2.02 -0.96 -2.76 112.91 109.08 3k4n h THR 258 Ca 0.53 -0.62 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 3k4n h THR 258 Cb 0.91 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3k4n h THR 258 CO -0.46 0.27 -0.44 0.58 0.37 0.00 0.00 175.52 175.85 3k4n h VAL 259 N 1.10 1.28 -2.21 3.16 2.07 -1.09 -3.45 116.25 117.11 3k4n h VAL 259 Ca 0.28 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3k4n h VAL 259 Cb 0.06 1.50 -0.23 0.00 -1.52 0.00 0.00 31.29 31.10 3k4n h VAL 259 CO -0.04 0.53 -0.10 0.12 0.02 0.00 0.00 177.57 178.10 3k4n s PHE 260 N -4.27 -0.93 -2.00 1.57 5.36 -0.58 -4.73 117.98 112.40 3k4n s PHE 260 Ca -0.10 1.87 0.28 0.00 -0.96 0.00 0.00 56.93 58.01 3k4n s PHE 260 Cb 0.11 0.52 1.65 0.00 -0.34 0.00 0.00 43.02 44.96 3k4n s PHE 260 CO 0.87 -0.48 2.01 -0.40 -1.46 0.00 0.00 175.22 175.76 3k4n n ASP 261 N 4.38 0.00 0.00 6.13 3.85 -1.20 -3.99 116.55 125.72 3k4n n ASP 261 Ca -0.20 -0.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.93 3k4n n ASP 261 Cb 0.57 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 3k4n n ASP 261 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3k4n n LEU 262 N -0.98 0.91 -4.63 -2.12 4.77 -1.26 -4.50 117.00 109.19 3k4n n LEU 262 Ca 0.21 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 3k4n n LEU 262 Cb 0.09 -1.75 -0.02 0.00 -2.33 0.00 0.00 43.42 39.41 3k4n n LEU 262 CO 0.16 -0.64 1.22 -1.10 -1.33 0.00 0.00 177.39 175.69 3k4n s GLN 263 N -1.28 3.90 0.19 3.23 -1.52 -1.26 -4.67 119.66 118.26 3k4n s GLN 263 Ca 0.00 1.43 -0.14 0.00 -1.95 0.00 0.00 55.36 54.70 3k4n s GLN 263 Cb 0.00 -3.93 -0.10 0.00 -0.22 0.00 0.00 33.01 28.77 3k4n s GLN 263 CO 0.00 -1.15 0.15 0.09 -0.25 0.00 0.00 175.29 174.13 3k4n n ASN 264 N 7.83 -1.35 -4.03 5.90 4.13 -1.26 -4.90 115.26 121.59 3k4n n ASN 264 Ca 0.16 0.55 -0.08 0.00 1.68 0.00 0.00 54.58 56.89 3k4n n ASN 264 Cb 0.46 -0.54 -0.10 0.00 -1.54 0.00 0.00 39.78 38.05 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 -0.60 0.46 0.47 3.52 0.52 0.85 -4.37 118.95 119.80 3k4n s ARG 265 Ca 0.36 -0.89 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 3k4n s ARG 265 Cb -0.45 0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.11 3k4n s ARG 265 CO 0.36 -0.08 1.22 -1.25 0.02 0.00 0.00 175.30 175.56 3k4n s PRO 266 N -2.63 3.69 0.26 3.54 0.04 -0.74 -1.87 135.00 137.29 3k4n s PRO 266 Ca -0.05 1.90 0.05 0.00 0.04 0.00 0.00 61.00 62.94 3k4n s PRO 266 Cb -0.01 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3k4n s PRO 266 CO -0.05 -0.65 0.17 0.27 0.04 0.00 0.00 177.00 176.78 3k4n n ASN 267 N -0.48 0.07 -0.35 6.66 0.23 -1.17 -4.96 115.26 115.26 3k4n n ASN 267 Ca 0.07 -2.59 0.10 0.00 -0.53 0.00 0.00 54.58 51.64 3k4n n ASN 267 Cb 0.47 1.05 0.28 0.00 -2.08 0.00 0.00 39.78 39.50 3k4n n ASN 267 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3k4n h THR 268 N 1.68 0.78 -0.00 5.53 2.02 -1.96 -0.69 112.91 120.26 3k4n h THR 268 Ca -0.19 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3k4n h THR 268 Cb 0.87 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3k4n h THR 268 CO 0.29 0.15 -0.26 0.47 0.37 0.00 0.00 175.52 176.54 3k4n n ASP 269 N -4.73 0.37 -2.81 4.18 8.00 -1.26 -4.20 116.55 116.10 3k4n n ASP 269 Ca 0.21 -0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 3k4n n ASP 269 Cb 0.48 -0.05 0.04 0.00 -0.02 0.00 0.00 41.12 41.57 3k4n n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k4n n ALA 270 N -1.35 -0.69 0.81 2.24 0.00 -0.93 -5.00 120.51 115.58 3k4n n ALA 270 Ca 0.08 -1.72 0.13 0.00 0.00 0.00 0.00 53.44 51.93 3k4n n ALA 270 Cb 0.33 -1.22 0.52 0.00 0.00 0.00 0.00 19.45 19.08 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 1.24 0.10 -0.48 0.00 -0.05 -0.31 -2.32 135.00 133.17 3k4n n PRO 271 Ca 0.10 0.11 0.11 0.00 -0.05 0.00 0.00 63.50 63.77 3k4n n PRO 271 Cb 0.64 -1.62 0.34 0.00 -0.05 0.00 0.00 33.50 32.81 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 -1.80 3.14 -3.99 0.54 -0.58 -1.26 -4.71 120.64 111.98 3k4n n GLU 272 Ca 0.06 -2.77 -0.29 0.00 -0.42 0.00 0.00 57.16 53.74 3k4n n GLU 272 Cb 0.35 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.33 3.20 -0.32 3.49 2.02 -0.98 -4.99 118.70 119.79 3k4n s GLU 273 Ca 0.51 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.89 3k4n s GLU 273 Cb 0.29 -2.87 0.10 0.00 0.10 0.00 0.00 34.13 31.75 3k4n s GLU 273 CO 0.31 0.56 0.08 1.03 0.02 0.00 0.00 175.26 177.25 3k4n s ARG 274 N -2.74 1.04 -0.01 1.61 0.52 -1.26 -1.79 118.95 116.32 3k4n s ARG 274 Ca 0.33 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 3k4n s ARG 274 Cb -0.12 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.85 3k4n s ARG 274 CO 0.26 -0.96 0.03 0.12 0.02 0.00 0.00 175.30 174.77 3k4n s PHE 275 N 1.32 -0.02 -0.03 -0.53 5.36 -0.78 -1.90 117.98 121.40 3k4n s PHE 275 Ca 0.10 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 3k4n s PHE 275 Cb -0.18 0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.53 3k4n s PHE 275 CO -0.18 -0.02 0.01 -0.80 -1.46 0.00 0.00 175.22 172.77 3k4n s ASN 276 N -0.04 0.37 -0.23 6.13 -0.87 -0.97 -0.10 114.94 119.22 3k4n s ASN 276 Ca -0.01 0.00 -0.07 0.00 -1.57 0.00 0.00 52.86 51.22 3k4n s ASN 276 Cb -0.01 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.25 41.02 3k4n s ASN 276 CO 0.00 -0.12 0.06 -0.22 -2.57 0.00 0.00 177.10 174.25 3k4n s LEU 277 N 1.12 3.47 -0.46 0.60 2.96 -1.26 -0.27 118.68 124.84 3k4n s LEU 277 Ca -0.08 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3k4n s LEU 277 Cb -0.13 -1.91 0.12 0.00 0.50 0.00 0.00 46.19 44.77 3k4n s LEU 277 CO -0.02 0.02 0.25 -0.36 -1.32 0.00 0.00 176.35 174.91 3k4n s PHE 278 N 1.28 3.54 1.04 5.38 0.08 -0.48 -5.00 117.98 123.83 3k4n s PHE 278 Ca 0.05 -2.59 -0.17 0.00 0.12 0.00 0.00 56.93 54.33 3k4n s PHE 278 Cb -0.15 -3.17 0.24 0.00 -0.57 0.00 0.00 43.02 39.37 3k4n s PHE 278 CO 0.03 -0.93 1.28 -2.14 -0.10 0.00 0.00 175.22 173.36 3k4n s PRO 279 N 0.75 -0.02 -1.11 0.24 0.02 -1.26 -2.82 135.00 130.80 3k4n s PRO 279 Ca 0.11 -0.38 -0.00 0.00 0.02 0.00 0.00 61.00 60.75 3k4n s PRO 279 Cb -0.22 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3k4n s PRO 279 CO -0.04 -2.86 0.01 0.00 -0.33 0.00 0.00 177.00 173.78 3k4n n ALA 280 N -4.09 -0.77 -3.96 -1.55 0.00 -0.74 -4.86 120.51 104.54 3k4n n ALA 280 Ca 0.16 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 3k4n n ALA 280 Cb 0.59 -1.59 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.65 2.53 -0.50 0.00 1.01 -0.51 -1.05 120.40 119.22 3k4n s VAL 281 Ca 0.01 -2.34 -0.27 0.00 0.00 0.00 0.00 61.98 59.38 3k4n s VAL 281 Cb -0.01 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3k4n s VAL 281 CO 0.01 -0.63 1.81 0.00 0.00 0.00 0.00 175.10 176.29 3k4n s ALA 282 N 0.89 2.46 -0.19 5.51 0.00 -1.04 -2.95 121.76 126.44 3k4n s ALA 282 Ca 0.11 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 3k4n s ALA 282 Cb -0.20 -4.18 -0.00 0.00 0.00 0.00 0.00 23.12 18.74 3k4n s ALA 282 CO -0.07 -3.37 1.13 0.00 0.00 0.00 0.00 175.76 173.46 3k4n n GLU 284 N 6.35 0.67 -3.64 0.00 1.02 -0.04 -4.93 120.64 120.06 3k4n n GLU 284 Ca 0.13 0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 3k4n n GLU 284 Cb 0.46 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.67 0.49 0.39 3.49 3.52 -1.12 -4.72 118.95 118.33 3k4n s ARG 285 Ca -0.08 0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 56.17 3k4n s ARG 285 Cb 0.08 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.57 3k4n s ARG 285 CO 0.84 -0.08 0.71 0.14 -0.81 0.00 0.00 175.30 176.10 3k4n s VAL 286 N 0.92 4.89 -0.14 7.11 -7.23 -1.26 -0.02 120.40 124.66 3k4n s VAL 286 Ca -0.04 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 3k4n s VAL 286 Cb -0.04 -3.77 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 3k4n s VAL 286 CO -0.12 -0.56 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.27 3k4n s VAL 287 N -2.39 2.67 0.43 1.32 1.01 -0.47 -4.73 120.40 118.24 3k4n s VAL 287 Ca 0.48 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3k4n s VAL 287 Cb -0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3k4n s VAL 287 CO 0.35 0.52 0.75 -0.13 0.00 0.00 0.00 175.10 176.59 3k4n s ARG 288 N 0.65 3.63 0.85 2.72 0.52 -1.26 -1.56 118.95 124.50 3k4n s ARG 288 Ca -0.08 0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.27 3k4n s ARG 288 Cb -0.16 -2.41 0.10 0.00 0.52 0.00 0.00 34.95 33.00 3k4n s ARG 288 CO 0.02 -0.10 1.16 0.54 0.02 0.00 0.00 175.30 176.94 3k4n s ASN 289 N -3.68 4.11 0.44 0.23 4.22 -0.84 -4.79 114.94 114.63 3k4n s ASN 289 Ca 0.48 0.89 0.22 0.00 -2.14 0.00 0.00 52.86 52.31 3k4n s ASN 289 Cb -0.10 -1.44 1.02 0.00 1.28 0.00 0.00 41.25 42.01 3k4n s ASN 289 CO 0.38 -2.17 1.89 0.00 -2.04 0.00 0.00 177.10 175.17 3k4n h ALA 290 N -1.23 1.18 0.00 3.54 0.00 -1.99 -2.72 119.26 118.04 3k4n h ALA 290 Ca -0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3k4n h ALA 290 Cb 1.33 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3k4n h ALA 290 CO 0.64 0.31 -0.14 -0.07 0.00 0.00 0.00 179.25 179.99 3k4n h LEU 291 N 0.00 0.00 2.41 0.00 3.38 -1.96 -3.47 115.31 115.67 3k4n h LEU 291 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3k4n h LEU 291 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3k4n h LEU 291 CO 0.03 0.14 -0.49 0.59 0.09 0.00 0.00 178.44 178.80 3k4n n ASN 292 N -3.43 -5.79 -0.06 -0.43 3.02 -1.03 -4.88 115.26 102.66 3k4n n ASN 292 Ca -0.01 0.14 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 3k4n n ASN 292 Cb 0.31 -4.90 0.01 0.00 -0.61 0.00 0.00 39.78 34.59 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 -1.83 0.97 -3.53 6.41 3.41 -1.26 -4.15 113.62 113.64 3k4n n SER 293 Ca -0.24 -0.85 -0.15 0.00 -0.26 0.00 0.00 58.87 57.38 3k4n n SER 293 Cb 0.69 0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 65.30 3k4n n SER 293 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k4n s GLU 294 N -2.93 1.08 -0.16 4.33 2.02 -1.26 -0.20 118.70 121.58 3k4n s GLU 294 Ca 0.10 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 54.92 3k4n s GLU 294 Cb 0.17 0.50 -0.03 0.00 0.10 0.00 0.00 34.13 34.86 3k4n s GLU 294 CO 0.78 -0.39 0.01 0.42 0.02 0.00 0.00 175.26 176.10 3k4n s ILE 295 N -2.26 4.34 -0.16 -1.63 -1.09 -1.26 -1.98 121.20 117.16 3k4n s ILE 295 Ca -0.06 -0.20 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 3k4n s ILE 295 Cb -0.01 -2.92 -0.23 0.00 -1.58 0.00 0.00 42.46 37.72 3k4n s ILE 295 CO 0.00 0.49 0.19 -0.62 -1.23 0.00 0.00 174.94 173.77 3k4n n GLU 296 N 3.35 0.68 -3.56 2.79 -0.58 -0.60 -4.99 120.64 117.73 3k4n n GLU 296 Ca -0.17 0.13 -0.07 0.00 -0.42 0.00 0.00 57.16 56.62 3k4n n GLU 296 Cb 0.52 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 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 -6.02 -0.33 -0.18 1.62 1.04 -1.26 -4.65 113.70 103.93 3k4n s SER 297 Ca -0.15 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 3k4n s SER 297 Cb 0.07 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3k4n s SER 297 CO 0.78 -0.69 -0.07 -0.22 0.98 0.00 0.00 173.24 174.01 3k4n s LEU 298 N -2.60 2.88 -0.22 2.42 2.96 0.66 -1.36 118.68 123.42 3k4n s LEU 298 Ca 0.07 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.44 3k4n s LEU 298 Cb -0.01 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3k4n s LEU 298 CO -0.07 0.07 0.63 -1.00 -1.32 0.00 0.00 176.35 174.66 3k4n s HIS 299 N 0.92 3.34 0.39 5.38 3.76 0.98 -0.75 115.29 129.31 3k4n s HIS 299 Ca -0.01 0.88 0.08 0.00 -0.15 0.00 0.00 55.06 55.86 3k4n s HIS 299 Cb -0.15 -2.81 -0.07 0.00 1.11 0.00 0.00 32.58 30.66 3k4n s HIS 299 CO 0.00 -0.23 0.05 0.96 -0.85 0.00 0.00 174.74 174.67 3k4n s ILE 300 N 2.13 2.20 -0.23 0.60 -4.36 -0.60 -0.87 121.20 120.08 3k4n s ILE 300 Ca 0.28 -1.93 -0.04 0.00 -0.26 0.00 0.00 60.65 58.69 3k4n s ILE 300 Cb -0.16 -2.93 0.08 0.00 1.25 0.00 0.00 42.46 40.71 3k4n s ILE 300 CO 0.10 -0.05 0.13 -2.28 0.24 0.00 0.00 174.94 173.08 3k4n s HIS 301 N -2.64 0.16 -0.21 1.37 5.65 0.02 -2.33 115.29 117.31 3k4n s HIS 301 Ca 0.36 -0.48 -0.29 0.00 0.25 0.00 0.00 55.06 54.91 3k4n s HIS 301 Cb 0.06 -0.73 -0.02 0.00 -1.18 0.00 0.00 32.58 30.71 3k4n s HIS 301 CO 0.19 -0.67 1.52 0.34 -0.65 0.00 0.00 174.74 175.47 3k4n s ASP 302 N 2.16 6.54 0.00 9.88 -1.08 0.14 -2.50 116.67 131.80 3k4n s ASP 302 Ca 0.06 1.63 0.30 0.00 -0.52 0.00 0.00 52.55 54.01 3k4n s ASP 302 Cb -0.16 -2.53 1.39 0.00 -1.46 0.00 0.00 42.92 40.15 3k4n s ASP 302 CO -0.22 -1.12 1.98 0.18 0.52 0.00 0.00 175.17 176.51 3k4n n LEU 303 N 7.91 0.08 -0.10 -1.34 4.77 -0.22 0.13 117.00 128.24 3k4n n LEU 303 Ca 0.17 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 56.26 3k4n n LEU 303 Cb 0.45 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 3k4n n LEU 303 CO 0.63 0.02 -0.52 -0.38 -1.33 0.00 0.00 177.39 175.81 3k4n n ILE 304 N -1.29 1.50 -0.07 -0.08 2.08 -1.26 -4.47 119.36 115.77 3k4n n ILE 304 Ca 0.12 0.02 -0.13 0.00 0.56 0.00 0.00 62.75 63.33 3k4n n ILE 304 Cb 0.27 -2.13 -0.06 0.00 -0.75 0.00 0.00 39.64 36.97 3k4n n ILE 304 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3k4n h SER 305 N -1.00 0.51 0.00 4.38 4.64 -1.94 -3.47 113.55 116.67 3k4n h SER 305 Ca -0.27 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 3k4n h SER 305 Cb 1.11 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3k4n h SER 305 CO -0.16 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 3k4n n GLY 306 N 0.14 2.45 3.77 -0.77 0.00 0.34 -5.07 105.19 106.05 3k4n n GLY 306 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 0.28 5.15 0.22 1.61 1.01 -1.22 -4.53 116.67 119.20 3k4n s ASP 307 Ca 0.00 2.03 0.08 0.00 0.71 0.00 0.00 52.55 55.37 3k4n s ASP 307 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 3k4n s ASP 307 CO 0.00 -1.60 0.03 -0.13 0.21 0.00 0.00 175.17 173.67 3k4n s ARG 308 N -4.00 2.44 0.27 8.23 0.52 -1.26 0.26 118.95 125.42 3k4n s ARG 308 Ca 0.68 -1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 54.64 3k4n s ARG 308 Cb -0.21 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 3k4n s ARG 308 CO 0.40 0.41 0.34 -0.06 0.02 0.00 0.00 175.30 176.41 3k4n s PHE 309 N -2.02 1.04 -0.24 -0.53 0.08 -0.98 -4.96 117.98 110.36 3k4n s PHE 309 Ca 0.30 -1.25 -0.02 0.00 0.12 0.00 0.00 56.93 56.08 3k4n s PHE 309 Cb -0.08 -0.27 0.08 0.00 -0.57 0.00 0.00 43.02 42.18 3k4n s PHE 309 CO 0.20 -0.91 0.05 -2.00 -0.10 0.00 0.00 175.22 172.47 3k4n s GLU 310 N -3.68 0.74 0.10 0.44 2.12 -1.26 -1.56 118.70 115.59 3k4n s GLU 310 Ca 0.33 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 3k4n s GLU 310 Cb 0.02 -2.06 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 3k4n s GLU 310 CO 0.16 -0.77 0.35 0.42 -0.54 0.00 0.00 175.26 174.88 3k4n s ILE 311 N 1.75 5.20 0.11 -3.70 -1.09 0.07 -4.91 121.20 118.63 3k4n s ILE 311 Ca 0.03 0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.66 3k4n s ILE 311 Cb -0.17 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 3k4n s ILE 311 CO -0.15 0.16 -0.26 -0.75 -1.23 0.00 0.00 174.94 172.70 3k4n s LYS 312 N -2.33 1.46 -0.10 2.79 2.47 -1.26 -0.25 119.74 122.53 3k4n s LYS 312 Ca 0.36 -1.29 -0.30 0.00 -1.56 0.00 0.00 55.97 53.18 3k4n s LYS 312 Cb -0.13 -1.88 0.10 0.00 -1.46 0.00 0.00 37.83 34.46 3k4n s LYS 312 CO 0.22 0.45 0.85 0.00 0.16 0.00 0.00 175.35 177.03 3k4n s ALA 313 N -1.01 -1.85 0.05 3.13 0.00 -1.25 -1.03 121.76 119.80 3k4n s ALA 313 Ca 0.13 1.44 -0.24 0.00 0.00 0.00 0.00 51.96 53.29 3k4n s ALA 313 Cb -0.10 -0.35 -0.17 0.00 0.00 0.00 0.00 23.12 22.50 3k4n s ALA 313 CO 0.05 -0.35 1.57 -0.44 0.00 0.00 0.00 175.76 176.59 3k4n h ASP 314 N 2.75 -0.01 -3.72 0.00 3.32 -0.85 -3.45 116.42 114.46 3k4n h ASP 314 Ca -0.22 -0.18 -0.68 0.00 0.02 0.00 0.00 57.03 55.97 3k4n h ASP 314 Cb 1.15 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 3k4n h ASP 314 CO 0.35 0.17 -0.73 -0.69 -1.72 0.00 0.00 179.24 176.62 3k4n s VAL 315 N -5.48 3.41 -0.13 -1.35 1.01 0.25 -4.88 120.40 113.23 3k4n s VAL 315 Ca -0.14 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3k4n s VAL 315 Cb 0.04 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3k4n s VAL 315 CO 0.66 0.58 -0.17 -0.31 0.00 0.00 0.00 175.10 175.86 3k4n s TYR 316 N -0.54 2.72 -0.21 5.22 1.51 -0.80 -1.42 117.35 123.84 3k4n s TYR 316 Ca 0.08 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 3k4n s TYR 316 Cb -0.12 -1.82 0.05 0.00 -0.11 0.00 0.00 41.96 39.96 3k4n s TYR 316 CO 0.02 -0.38 -0.07 0.08 -1.11 0.00 0.00 175.55 174.08 3k4n s VAL 317 N 0.54 1.49 -0.34 0.71 1.01 -0.12 -1.16 120.40 122.53 3k4n s VAL 317 Ca -0.11 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 3k4n s VAL 317 Cb -0.16 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 3k4n s VAL 317 CO 0.04 0.04 0.62 -0.76 0.00 0.00 0.00 175.10 175.04 3k4n s LEU 318 N 1.44 4.23 -0.28 3.92 1.43 -0.44 -1.19 118.68 127.78 3k4n s LEU 318 Ca -0.03 0.22 0.17 0.00 -1.03 0.00 0.00 54.13 53.46 3k4n s LEU 318 Cb -0.17 -2.77 0.49 0.00 0.03 0.00 0.00 46.19 43.76 3k4n s LEU 318 CO -0.07 -0.55 1.11 0.35 0.23 0.00 0.00 176.35 177.42 3k4n n THR 319 N 5.51 1.61 1.48 5.49 -2.24 0.33 -1.06 114.28 125.39 3k4n n THR 319 Ca -0.01 -3.37 0.14 0.00 -2.27 0.00 0.00 64.05 58.54 3k4n n THR 319 Cb 0.49 0.49 0.56 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.55 2.75 0.00 6.98 0.00 -0.70 -4.28 120.51 124.71 3k4n n ALA 320 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3k4n n ALA 320 Cb 0.84 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.22 2.79 0.33 0.00 0.00 -1.26 -4.27 105.19 103.99 3k4n n GLY 321 Ca 0.17 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 3k4n n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n h ALA 322 N 0.00 1.07 0.00 4.61 0.00 -1.91 0.82 119.26 123.85 3k4n h ALA 322 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k4n h ALA 322 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3k4n h ALA 322 CO 0.00 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 180.18 3k4n h VAL 323 N 1.09 1.63 0.05 0.00 2.07 -1.95 -3.31 116.25 115.83 3k4n h VAL 323 Ca 0.25 -1.91 -0.23 0.00 0.82 0.00 0.00 66.70 65.62 3k4n h VAL 323 Cb 0.25 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 3k4n h VAL 323 CO -0.02 0.49 -1.06 0.45 0.02 0.00 0.00 177.57 177.46 3k4n h HIS 324 N -0.82 0.27 -0.68 1.57 -0.00 -1.76 -2.73 115.15 111.00 3k4n h HIS 324 Ca -0.00 -0.18 0.14 0.00 -0.00 0.00 0.00 60.37 60.33 3k4n h HIS 324 Cb 0.81 -0.02 -0.11 0.00 -0.00 0.00 0.00 27.41 28.10 3k4n h HIS 324 CO 0.21 1.10 0.10 -0.91 -0.00 0.00 0.00 177.93 178.43 3k4n h ASN 325 N 0.06 -0.11 -0.48 2.45 2.35 0.49 -1.24 115.58 119.10 3k4n h ASN 325 Ca -0.07 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3k4n h ASN 325 Cb 1.77 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 40.34 3k4n h ASN 325 CO 0.16 -0.07 0.32 0.74 -1.65 0.00 0.00 177.43 176.93 3k4n h THR 326 N 0.20 1.12 0.50 2.81 2.02 -1.63 -2.78 112.91 115.16 3k4n h THR 326 Ca 0.37 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 3k4n h THR 326 Cb 0.62 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3k4n h THR 326 CO -0.51 0.12 -0.24 -0.61 0.37 0.00 0.00 175.52 174.64 3k4n h GLN 327 N 0.64 -0.65 -0.31 6.66 4.15 -0.96 0.17 115.11 124.81 3k4n h GLN 327 Ca 0.18 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.67 3k4n h GLN 327 Cb -0.07 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3k4n h GLN 327 CO -0.04 -0.43 -0.18 -0.11 -1.93 0.00 0.00 178.83 176.13 3k4n n LEU 328 N -3.91 -0.33 -0.10 -2.39 0.00 -0.57 -0.33 117.00 109.37 3k4n n LEU 328 Ca -0.08 0.83 -0.07 0.00 0.00 0.00 0.00 56.01 56.69 3k4n n LEU 328 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 43.42 43.47 3k4n n LEU 328 CO 0.20 -0.59 0.67 -0.07 0.00 0.00 0.00 177.39 177.60 3k4n h LEU 329 N 0.00 -0.91 -0.75 -1.96 3.38 -1.23 0.14 115.31 113.99 3k4n h LEU 329 Ca 0.05 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3k4n h LEU 329 Cb 0.13 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3k4n h LEU 329 CO -0.29 -0.29 0.44 0.58 0.09 0.00 0.00 178.44 178.96 3k4n h VAL 330 N -0.23 1.00 0.00 1.22 2.07 0.99 0.63 116.25 121.92 3k4n h VAL 330 Ca 0.17 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3k4n h VAL 330 Cb 0.50 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3k4n h VAL 330 CO -0.48 0.15 0.00 -3.20 0.02 0.00 0.00 177.57 174.05 3k4n n ASN 331 N -4.72 0.00 -0.79 0.57 5.15 0.55 -2.92 115.26 113.10 3k4n n ASN 331 Ca 0.10 0.29 0.02 0.00 -0.60 0.00 0.00 54.58 54.40 3k4n n ASN 331 Cb 0.18 -0.38 0.20 0.00 -0.53 0.00 0.00 39.78 39.24 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 -1.38 2.25 0.00 1.20 7.64 0.22 -4.84 113.62 118.70 3k4n n SER 332 Ca 0.04 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.23 3k4n n SER 332 Cb 0.11 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.11 2.96 3.75 0.23 0.00 -1.12 -4.71 105.19 105.19 3k4n n GLY 333 Ca 0.25 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 2.34 0.00 1.61 0.40 -0.99 -4.82 117.98 114.59 3k4n s PHE 334 Ca 0.00 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 3k4n s PHE 334 Cb 0.00 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.30 3k4n s PHE 334 CO 0.00 -2.08 0.00 0.41 0.70 0.00 0.00 175.22 174.25 3k4n n GLY 335 N -0.39 -0.71 3.87 4.36 0.00 -1.10 -4.08 105.19 107.16 3k4n n GLY 335 Ca 0.11 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 3.77 0.10 1.61 0.74 -1.26 -4.82 119.66 119.79 3k4n s GLN 336 Ca 0.00 0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.51 3k4n s GLN 336 Cb 0.00 -2.82 -0.06 0.00 1.10 0.00 0.00 33.01 31.23 3k4n s GLN 336 CO 0.00 0.44 0.41 -1.17 -0.55 0.00 0.00 175.29 174.42 3k4n s LEU 337 N -2.43 4.33 0.00 3.68 2.96 -1.26 -4.77 118.68 121.18 3k4n s LEU 337 Ca 0.41 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 3k4n s LEU 337 Cb -0.13 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.50 3k4n s LEU 337 CO 0.21 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 3k4n n GLY 338 N 0.76 -0.93 3.60 7.98 0.00 0.19 -4.82 105.19 111.97 3k4n n GLY 338 Ca -0.07 -1.67 -0.58 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.98 0.50 -1.75 1.61 0.63 -1.26 -4.56 116.66 110.85 3k4n n ARG 339 Ca 0.00 0.18 -0.30 0.00 -0.92 0.00 0.00 57.85 56.81 3k4n n ARG 339 Cb 0.00 -1.75 0.05 0.00 0.45 0.00 0.00 32.46 31.21 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 1.17 2.80 -0.42 -0.14 0.04 -1.26 -5.04 135.00 132.16 3k4n s PRO 340 Ca 0.93 0.63 0.07 0.00 0.04 0.00 0.00 61.00 62.66 3k4n s PRO 340 Cb -1.19 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 31.53 3k4n s PRO 340 CO 0.60 -1.11 0.58 1.21 0.04 0.00 0.00 177.00 178.31 3k4n s ASN 341 N -4.13 -0.84 0.48 6.66 2.47 -1.26 -5.01 114.94 113.31 3k4n s ASN 341 Ca 0.58 -1.19 0.33 0.00 0.42 0.00 0.00 52.86 53.00 3k4n s ASN 341 Cb -0.12 1.57 1.65 0.00 -1.45 0.00 0.00 41.25 42.90 3k4n s ASN 341 CO 0.53 -0.17 1.99 1.55 -3.72 0.00 0.00 177.10 177.28 3k4n h PRO 342 N 6.65 0.00 0.00 0.43 0.13 -2.01 0.05 132.00 137.25 3k4n h PRO 342 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3k4n h PRO 342 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k4n h PRO 342 CO 0.12 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.89 3k4n n ALA 343 N -1.94 -0.11 -2.95 -0.56 0.00 -1.26 -4.33 120.51 109.36 3k4n n ALA 343 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 3k4n n ALA 343 Cb 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 3k4n n ALA 343 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3k4n s ASN 344 N -2.37 6.18 0.17 0.00 2.47 0.01 -5.04 114.94 116.35 3k4n s ASN 344 Ca 0.00 -1.15 -0.01 0.00 0.42 0.00 0.00 52.86 52.12 3k4n s ASN 344 Cb 0.00 -2.37 -0.04 0.00 -1.45 0.00 0.00 41.25 37.39 3k4n s ASN 344 CO 0.00 -1.30 0.35 -2.16 -3.72 0.00 0.00 177.10 170.27 3k4n s PRO 345 N 3.50 3.52 0.37 0.43 0.04 -1.25 -4.51 135.00 137.10 3k4n s PRO 345 Ca 0.18 -0.33 -0.13 0.00 0.04 0.00 0.00 61.00 60.76 3k4n s PRO 345 Cb -0.20 -2.88 -0.08 0.00 0.04 0.00 0.00 34.50 31.39 3k4n s PRO 345 CO 0.09 0.45 0.76 -1.25 0.04 0.00 0.00 177.00 177.09 3k4n s PRO 346 N -3.10 3.88 0.14 0.56 0.04 -1.26 -4.99 135.00 130.27 3k4n s PRO 346 Ca 0.38 0.57 0.10 0.00 0.04 0.00 0.00 61.00 62.09 3k4n s PRO 346 Cb -0.11 -2.40 -0.14 0.00 0.04 0.00 0.00 34.50 31.88 3k4n s PRO 346 CO 0.28 0.04 1.25 0.93 0.04 0.00 0.00 177.00 179.54 3k4n h GLU 347 N 1.69 0.00 -5.84 4.56 5.08 -1.95 -3.41 114.58 114.72 3k4n h GLU 347 Ca -0.47 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.24 3k4n h GLU 347 Cb 1.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 3k4n h GLU 347 CO 0.64 0.81 -0.51 -0.51 -1.00 0.00 0.00 179.01 178.45 3k4n s LEU 348 N -6.56 4.30 -0.03 1.33 1.43 -1.26 -4.73 118.68 113.16 3k4n s LEU 348 Ca 0.01 0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3k4n s LEU 348 Cb 0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3k4n s LEU 348 CO 0.80 0.26 0.02 0.18 0.23 0.00 0.00 176.35 177.85 3k4n n LEU 349 N 0.97 -0.07 -0.33 1.79 4.77 -1.26 -2.69 117.00 120.18 3k4n n LEU 349 Ca -0.11 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3k4n n LEU 349 Cb 0.53 -0.06 0.34 0.00 -2.33 0.00 0.00 43.42 41.90 3k4n n LEU 349 CO 0.43 0.01 1.21 -0.65 -1.33 0.00 0.00 177.39 177.06 3k4n h PRO 350 N 0.69 0.72 0.00 3.23 0.11 -1.85 -2.81 132.00 132.09 3k4n h PRO 350 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3k4n h PRO 350 Cb 0.05 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3k4n h PRO 350 CO 0.01 0.48 -0.05 0.77 -0.21 0.00 0.00 178.00 179.00 3k4n h SER 351 N 0.75 0.00 -1.23 -2.05 0.02 -1.85 -3.46 113.55 105.72 3k4n h SER 351 Ca 0.54 -0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.82 3k4n h SER 351 Cb 0.86 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.51 3k4n h SER 351 CO -0.32 0.00 -0.39 -0.11 -1.14 0.00 0.00 176.83 174.88 3k4n n LEU 352 N -3.02 -0.69 -1.12 5.07 7.94 -1.06 -0.99 117.00 123.12 3k4n n LEU 352 Ca 0.04 1.14 -0.15 0.00 -1.11 0.00 0.00 56.01 55.93 3k4n n LEU 352 Cb 0.52 -1.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.41 3k4n n LEU 352 CO 0.34 -2.67 -0.14 0.61 -1.11 0.00 0.00 177.39 174.42 3k4n n GLY 353 N 1.86 1.43 3.36 -3.96 0.00 0.88 -4.91 105.19 103.85 3k4n n GLY 353 Ca 0.17 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.60 2.62 -1.33 1.61 0.01 -0.16 -1.52 113.70 112.33 3k4n s SER 354 Ca 0.00 -1.06 -0.03 0.00 1.31 0.00 0.00 55.95 56.17 3k4n s SER 354 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 3k4n s SER 354 CO 0.00 -0.20 0.44 -1.22 0.41 0.00 0.00 173.24 172.67 3k4n n TYR 355 N -0.43 -1.54 -2.37 2.43 4.02 -1.00 -4.66 117.16 113.63 3k4n n TYR 355 Ca -0.07 0.38 -0.39 0.00 -0.01 0.00 0.00 57.90 57.81 3k4n n TYR 355 Cb 0.61 -3.88 -0.03 0.00 -0.02 0.00 0.00 39.34 36.02 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 -3.05 3.30 0.04 -0.72 -4.36 -1.00 -4.49 121.20 110.92 3k4n s ILE 356 Ca 0.22 1.15 0.07 0.00 -0.26 0.00 0.00 60.65 61.83 3k4n s ILE 356 Cb -0.10 -3.67 -0.02 0.00 1.25 0.00 0.00 42.46 39.92 3k4n s ILE 356 CO 0.27 0.16 -0.20 0.42 0.24 0.00 0.00 174.94 175.83 3k4n s THR 357 N -1.36 1.57 0.04 8.37 -4.23 0.21 -4.57 115.64 115.66 3k4n s THR 357 Ca 0.53 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 3k4n s THR 357 Cb -0.30 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3k4n s THR 357 CO 0.39 0.19 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.94 3k4n s GLU 358 N -1.12 0.48 0.19 3.99 2.56 -1.26 0.16 118.70 123.70 3k4n s GLU 358 Ca 0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 54.97 54.02 3k4n s GLU 358 Cb -0.09 0.17 -0.07 0.00 2.00 0.00 0.00 34.13 36.14 3k4n s GLU 358 CO 0.02 -0.09 0.56 -0.65 -0.56 0.00 0.00 175.26 174.54 3k4n s GLN 359 N -2.67 3.90 0.19 4.30 -0.21 -1.26 -4.50 119.66 119.42 3k4n s GLN 359 Ca -0.05 0.41 -0.30 0.00 0.02 0.00 0.00 55.36 55.44 3k4n s GLN 359 Cb -0.01 -2.78 -0.08 0.00 1.00 0.00 0.00 33.01 31.14 3k4n s GLN 359 CO -0.05 0.39 1.02 -1.12 -2.12 0.00 0.00 175.29 173.40 3k4n s SER 360 N -2.03 7.44 -0.15 5.90 0.01 -1.25 -4.61 113.70 119.01 3k4n s SER 360 Ca 0.43 2.00 -0.00 0.00 1.31 0.00 0.00 55.95 59.68 3k4n s SER 360 Cb -0.13 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.53 3k4n s SER 360 CO 0.20 -0.06 -0.08 -0.22 0.41 0.00 0.00 173.24 173.50 3k4n s LEU 361 N -0.66 1.58 0.15 2.44 2.96 -1.26 -0.25 118.68 123.63 3k4n s LEU 361 Ca 0.46 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3k4n s LEU 361 Cb -0.27 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3k4n s LEU 361 CO 0.34 -0.15 0.26 0.68 -1.32 0.00 0.00 176.35 176.16 3k4n s VAL 362 N 1.61 5.21 0.03 1.68 -7.23 -0.62 -1.50 120.40 119.57 3k4n s VAL 362 Ca 0.02 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.33 3k4n s VAL 362 Cb -0.14 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.15 3k4n s VAL 362 CO -0.08 -0.08 0.31 0.12 -0.31 0.00 0.00 175.10 175.06 3k4n s PHE 363 N -1.73 -0.13 0.00 2.82 5.36 -0.97 -2.13 117.98 121.20 3k4n s PHE 363 Ca 0.34 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 3k4n s PHE 363 Cb -0.11 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 3k4n s PHE 363 CO 0.28 -0.47 0.00 0.00 -1.46 0.00 0.00 175.22 173.56 3k4n s GLN 365 N -2.00 1.25 0.19 0.00 -0.21 -0.43 -1.33 119.66 117.13 3k4n s GLN 365 Ca 0.00 -1.23 0.09 0.00 0.02 0.00 0.00 55.36 54.24 3k4n s GLN 365 Cb 0.00 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.37 3k4n s GLN 365 CO 0.00 0.38 -0.08 0.95 -2.12 0.00 0.00 175.29 174.42 3k4n s THR 366 N -1.11 3.26 -0.40 -0.19 -4.23 -0.42 0.90 115.64 113.45 3k4n s THR 366 Ca 0.10 -1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 3k4n s THR 366 Cb -0.10 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.16 3k4n s THR 366 CO 0.05 -0.15 0.25 -0.69 -0.54 0.00 0.00 174.62 173.53 3k4n s VAL 367 N -1.81 4.44 0.10 2.29 1.01 -0.40 -1.64 120.40 124.38 3k4n s VAL 367 Ca 0.26 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 3k4n s VAL 367 Cb -0.08 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3k4n s VAL 367 CO 0.16 -0.40 0.55 0.80 0.00 0.00 0.00 175.10 176.21 3k4n n MET 368 N 4.97 0.00 -1.21 2.72 1.56 0.67 -3.65 117.12 122.19 3k4n n MET 368 Ca -0.11 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.01 3k4n n MET 368 Cb 0.44 -0.90 0.10 0.00 2.15 0.00 0.00 33.22 35.01 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 -0.48 4.34 0.16 6.12 1.04 0.17 -4.88 113.70 120.18 3k4n s SER 369 Ca 0.56 1.85 -0.14 0.00 0.48 0.00 0.00 55.95 58.70 3k4n s SER 369 Cb -0.80 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 62.85 3k4n s SER 369 CO 0.43 -2.14 1.79 0.74 0.98 0.00 0.00 173.24 175.03 3k4n h THR 370 N -1.20 1.16 -0.42 2.02 2.02 -1.90 -2.67 112.91 111.92 3k4n h THR 370 Ca -0.44 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 66.42 3k4n h THR 370 Cb 1.24 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 3k4n h THR 370 CO 0.51 0.17 0.12 -0.08 0.37 0.00 0.00 175.52 176.60 3k4n h GLU 371 N 0.67 0.26 -0.35 6.66 4.81 -1.97 -0.66 114.58 124.00 3k4n h GLU 371 Ca 0.18 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3k4n h GLU 371 Cb 0.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3k4n h GLU 371 CO -0.03 0.17 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.19 3k4n h LEU 372 N 0.27 0.65 -0.15 1.64 3.38 -1.89 -1.04 115.31 118.17 3k4n h LEU 372 Ca 0.20 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3k4n h LEU 372 Cb 0.21 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3k4n h LEU 372 CO -0.23 0.82 -0.60 0.40 0.09 0.00 0.00 178.44 178.93 3k4n h ILE 373 N 0.58 1.32 -0.96 1.22 1.08 -1.15 -2.92 117.51 116.68 3k4n h ILE 373 Ca 0.09 -1.85 0.05 0.00 -0.39 0.00 0.00 64.86 62.77 3k4n h ILE 373 Cb 0.62 2.02 -0.06 0.00 -3.07 0.00 0.00 36.82 36.33 3k4n h ILE 373 CO 0.04 0.57 0.62 0.44 -0.69 0.00 0.00 178.15 179.14 3k4n h ASP 374 N 0.35 1.01 -0.20 1.72 3.32 -0.72 -2.43 116.42 119.47 3k4n h ASP 374 Ca -0.03 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3k4n h ASP 374 Cb 1.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3k4n h ASP 374 CO 0.13 0.67 0.14 0.77 -1.72 0.00 0.00 179.24 179.23 3k4n h SER 375 N 1.16 0.12 -0.82 6.45 4.64 -1.02 -2.47 113.55 121.61 3k4n h SER 375 Ca 0.40 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.75 3k4n h SER 375 Cb 0.09 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 3k4n h SER 375 CO -0.14 0.08 0.54 0.58 -0.87 0.00 0.00 176.83 177.02 3k4n h VAL 376 N 0.13 1.12 -0.46 0.95 2.07 -1.30 -2.09 116.25 116.68 3k4n h VAL 376 Ca 0.09 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 67.04 3k4n h VAL 376 Cb 0.18 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 29.86 3k4n h VAL 376 CO -0.01 0.18 0.06 2.29 0.02 0.00 0.00 177.57 180.11 3k4n n LYS 377 N -4.45 2.07 0.19 1.57 2.85 -0.95 -4.70 118.16 114.73 3k4n n LYS 377 Ca 0.11 -3.13 0.14 0.00 -1.05 0.00 0.00 58.31 54.38 3k4n n LYS 377 Cb 0.13 -1.89 0.56 0.00 -0.65 0.00 0.00 35.03 33.17 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 1.13 0.00 0.12 -5.58 4.64 -1.18 -2.97 113.55 109.71 3k4n h SER 378 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3k4n h SER 378 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3k4n h SER 378 CO 0.50 0.00 -0.11 0.47 -0.87 0.00 0.00 176.83 176.82 3k4n n ASP 379 N -2.60 1.17 -4.83 4.97 8.00 -1.26 -4.96 116.55 117.04 3k4n n ASP 379 Ca 0.02 -1.15 -0.38 0.00 0.71 0.00 0.00 54.79 53.98 3k4n n ASP 379 Cb 0.28 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.25 3.95 -0.16 -1.24 -1.94 -1.12 -4.62 119.30 111.92 3k4n s MET 380 Ca 0.32 0.42 -0.19 0.00 -1.71 0.00 0.00 55.69 54.53 3k4n s MET 380 Cb 0.20 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 3k4n s MET 380 CO 0.42 0.66 0.53 0.99 -0.01 0.00 0.00 175.02 177.61 3k4n s THR 381 N -0.97 5.12 -0.19 2.05 2.01 0.16 -4.94 115.64 118.88 3k4n s THR 381 Ca 0.24 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 63.24 3k4n s THR 381 Cb -0.17 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3k4n s THR 381 CO 0.13 0.23 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.55 3k4n s ILE 382 N 1.24 2.81 0.42 1.82 1.01 -1.26 -1.35 121.20 125.90 3k4n s ILE 382 Ca 0.26 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.29 3k4n s ILE 382 Cb -0.15 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 3k4n s ILE 382 CO 0.10 0.48 0.19 -0.13 0.00 0.00 0.00 174.94 175.59 3k4n s ARG 383 N 1.29 2.24 1.69 2.79 0.52 -0.47 -5.00 118.95 122.00 3k4n s ARG 383 Ca 0.04 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.39 3k4n s ARG 383 Cb -0.14 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.34 3k4n s ARG 383 CO -0.06 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.53 3k4n n GLY 384 N -1.27 0.06 3.06 -3.53 0.00 -1.26 -2.49 105.19 99.76 3k4n n GLY 384 Ca -0.01 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.76 0.41 2.61 -4.23 -1.26 -4.87 115.64 109.06 3k4n s THR 385 Ca 0.00 -0.69 -0.22 0.00 -1.18 0.00 0.00 61.69 59.60 3k4n s THR 385 Cb 0.00 -0.69 -0.14 0.00 1.34 0.00 0.00 72.50 73.01 3k4n s THR 385 CO 0.00 0.01 0.27 -2.65 -0.54 0.00 0.00 174.62 171.71 3k4n n PRO 386 N 2.30 0.21 -0.92 3.99 -0.02 -1.26 -2.37 135.00 136.93 3k4n n PRO 386 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3k4n n PRO 386 Cb 0.56 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 2.12 0.62 3.93 -1.23 0.00 -1.26 -5.01 105.19 104.36 3k4n n GLY 387 Ca 0.11 0.00 -0.26 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 -0.34 3.53 0.40 1.61 8.01 -1.00 -5.00 118.70 125.91 3k4n s GLU 388 Ca 0.00 -0.31 0.08 0.00 0.01 0.00 0.00 54.97 54.76 3k4n s GLU 388 Cb 0.00 -2.77 0.82 0.00 -4.31 0.00 0.00 34.13 27.87 3k4n s GLU 388 CO 0.00 0.32 1.97 -0.07 0.01 0.00 0.00 175.26 177.49 3k4n h LEU 389 N 1.64 0.33 -0.53 1.80 3.38 -1.95 -2.47 115.31 117.51 3k4n h LEU 389 Ca -0.49 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3k4n h LEU 389 Cb 1.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3k4n h LEU 389 CO 0.66 0.37 -0.08 0.35 0.09 0.00 0.00 178.44 179.82 3k4n n THR 390 N -4.36 0.00 -1.65 0.22 -2.24 -1.26 -4.95 114.28 100.04 3k4n n THR 390 Ca 0.01 -0.14 -0.48 0.00 -2.27 0.00 0.00 64.05 61.17 3k4n n THR 390 Cb 0.18 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 3k4n n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4n n TYR 391 N -0.47 2.23 -5.03 4.78 9.36 -0.93 -4.49 117.16 122.60 3k4n n TYR 391 Ca 0.17 0.01 -0.32 0.00 3.32 0.00 0.00 57.90 61.08 3k4n n TYR 391 Cb 0.30 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.20 3k4n n TYR 391 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3k4n s SER 392 N 4.80 3.64 -0.14 2.98 0.15 -1.04 -4.99 113.70 119.11 3k4n s SER 392 Ca 0.95 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3k4n s SER 392 Cb -0.68 -0.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.80 3k4n s SER 392 CO 0.50 0.30 -0.12 -0.69 1.20 0.00 0.00 173.24 174.43 3k4n s VAL 393 N -0.44 1.37 0.04 4.45 1.01 -1.26 -1.37 120.40 124.20 3k4n s VAL 393 Ca 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3k4n s VAL 393 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3k4n s VAL 393 CO 0.02 0.42 -0.06 0.42 0.00 0.00 0.00 175.10 175.90 3k4n s THR 394 N 1.57 0.39 0.18 3.92 -4.23 -0.45 -4.97 115.64 112.04 3k4n s THR 394 Ca 0.05 -1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3k4n s THR 394 Cb -0.13 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 3k4n s THR 394 CO -0.10 -0.54 0.07 -0.72 -0.54 0.00 0.00 174.62 172.79 3k4n s TYR 395 N -1.93 1.12 -0.35 3.99 1.13 -1.26 0.38 117.35 120.43 3k4n s TYR 395 Ca -0.08 -1.22 -0.08 0.00 -1.41 0.00 0.00 57.07 54.28 3k4n s TYR 395 Cb -0.06 -0.62 0.03 0.00 -1.10 0.00 0.00 41.96 40.21 3k4n s TYR 395 CO -0.02 -0.45 0.14 0.99 -2.51 0.00 0.00 175.55 173.70 3k4n s THR 396 N -3.95 4.16 0.48 -3.49 2.01 -1.26 -5.01 115.64 108.59 3k4n s THR 396 Ca 0.30 -0.93 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 3k4n s THR 396 Cb 0.07 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 3k4n s THR 396 CO 0.07 -0.16 1.00 -2.65 -0.69 0.00 0.00 174.62 172.19 3k4n n PRO 397 N 4.90 1.24 -1.43 4.92 -0.02 -1.26 -3.07 135.00 140.28 3k4n n PRO 397 Ca -0.12 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.66 3k4n n PRO 397 Cb 0.46 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 3k4n n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4n n GLY 398 N 1.21 1.44 3.65 -1.23 0.00 -1.26 -4.95 105.19 104.05 3k4n n GLY 398 Ca 0.10 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3k4n n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n s ALA 399 N -2.31 3.64 0.52 4.61 0.00 -1.17 -4.90 121.76 122.14 3k4n s ALA 399 Ca 0.00 0.11 0.40 0.00 0.00 0.00 0.00 51.96 52.47 3k4n s ALA 399 Cb 0.00 -3.58 1.59 0.00 0.00 0.00 0.00 23.12 21.13 3k4n s ALA 399 CO 0.00 -1.16 1.66 0.66 0.00 0.00 0.00 175.76 176.92 3k4n h SER 400 N 7.62 0.08 -0.33 0.00 4.64 -1.93 0.75 113.55 124.37 3k4n h SER 400 Ca -0.19 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3k4n h SER 400 Cb 1.06 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3k4n h SER 400 CO 0.99 -0.04 0.00 0.35 -0.87 0.00 0.00 176.83 177.27 3k4n n THR 401 N -4.21 0.49 -1.65 2.95 -2.24 -1.26 -4.89 114.28 103.47 3k4n n THR 401 Ca 0.36 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 3k4n n THR 401 Cb 1.60 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 70.07 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 -0.96 5.09 -0.00 3.42 0.01 0.26 -4.97 114.94 117.78 3k4n s ASN 402 Ca 0.22 1.88 0.14 0.00 -0.71 0.00 0.00 52.86 54.38 3k4n s ASN 402 Cb 0.12 -2.53 -0.16 0.00 0.41 0.00 0.00 41.25 39.08 3k4n s ASN 402 CO 0.15 -1.64 0.51 0.29 -1.51 0.00 0.00 177.10 174.90 3k4n n LYS 403 N -2.73 2.06 -4.26 -0.60 4.76 -1.26 -4.99 118.16 111.13 3k4n n LYS 403 Ca 0.09 -0.03 -0.20 0.00 -2.87 0.00 0.00 58.31 55.30 3k4n n LYS 403 Cb 0.53 -1.18 -0.12 0.00 -1.84 0.00 0.00 35.03 32.42 3k4n n LYS 403 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3k4n s HIS 404 N -2.43 1.55 0.91 2.13 3.76 -1.26 -5.13 115.29 114.82 3k4n s HIS 404 Ca 0.03 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.34 3k4n s HIS 404 Cb 0.10 -0.82 0.13 0.00 1.11 0.00 0.00 32.58 33.10 3k4n s HIS 404 CO 0.56 0.18 1.04 -2.30 -0.85 0.00 0.00 174.74 173.37 3k4n n PRO 405 N 0.71 -0.38 -0.31 8.40 -0.02 -1.26 -4.82 135.00 137.33 3k4n n PRO 405 Ca -0.17 -0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.28 3k4n n PRO 405 Cb 0.56 -2.30 0.14 0.00 -0.02 0.00 0.00 33.50 31.88 3k4n n PRO 405 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3k4n h ASP 406 N -1.76 0.84 -0.32 2.55 3.32 -2.00 -2.22 116.42 116.84 3k4n h ASP 406 Ca -0.43 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3k4n h ASP 406 Cb 1.27 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3k4n h ASP 406 CO 0.40 0.54 0.21 4.11 -1.72 0.00 0.00 179.24 182.78 3k4n h TRP 407 N 0.98 0.38 0.03 4.55 5.08 -2.00 -1.88 115.95 123.09 3k4n h TRP 407 Ca 0.38 0.01 -0.19 0.00 1.08 0.00 0.00 58.89 60.16 3k4n h TRP 407 Cb 0.17 -0.13 0.02 0.00 -3.00 0.00 0.00 29.16 26.22 3k4n h TRP 407 CO -0.03 0.24 -0.78 2.35 -1.28 0.00 0.00 178.44 178.94 3k4n h TRP 408 N 0.41 0.72 -0.68 0.12 2.91 -1.76 -3.04 115.95 114.63 3k4n h TRP 408 Ca 0.12 -0.41 -0.02 0.00 1.13 0.00 0.00 58.89 59.71 3k4n h TRP 408 Cb -0.02 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 3k4n h TRP 408 CO -0.00 1.25 0.36 -0.91 -1.03 0.00 0.00 178.44 178.11 3k4n h ASN 409 N -0.02 0.87 -0.90 2.65 2.35 -1.40 -1.33 115.58 117.79 3k4n h ASN 409 Ca -0.11 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3k4n h ASN 409 Cb 1.49 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.60 3k4n h ASN 409 CO 0.15 0.73 0.59 -0.08 -1.65 0.00 0.00 177.43 177.17 3k4n h GLU 410 N 0.94 1.16 0.76 0.81 4.57 -1.37 0.29 114.58 121.75 3k4n h GLU 410 Ca 0.24 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3k4n h GLU 410 Cb 0.07 -0.26 0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3k4n h GLU 410 CO -0.04 0.77 -0.37 0.87 -1.18 0.00 0.00 179.01 179.07 3k4n h LYS 411 N 1.20 -0.99 -0.59 1.92 1.57 -1.36 -2.21 116.57 116.11 3k4n h LYS 411 Ca 0.33 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.24 3k4n h LYS 411 Cb -0.11 0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3k4n h LYS 411 CO -0.08 -0.66 -0.40 0.28 -0.57 0.00 0.00 179.45 178.03 3k4n h VAL 412 N -1.15 0.00 -0.45 0.50 2.07 -1.04 -1.79 116.25 114.39 3k4n h VAL 412 Ca -0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.51 3k4n h VAL 412 Cb 0.78 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 3k4n h VAL 412 CO 0.17 0.00 -0.22 0.50 0.02 0.00 0.00 177.57 178.04 3k4n h LYS 413 N -0.06 -0.12 -0.51 1.57 3.64 -0.47 -1.53 116.57 119.09 3k4n h LYS 413 Ca 0.10 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3k4n h LYS 413 Cb 0.31 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3k4n h LYS 413 CO -0.59 -0.08 0.26 -0.91 -2.27 0.00 0.00 179.45 175.86 3k4n h ASN 414 N -0.13 0.65 -0.41 4.20 2.35 -1.10 -1.73 115.58 119.41 3k4n h ASN 414 Ca 0.21 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3k4n h ASN 414 Cb 0.46 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3k4n h ASN 414 CO -0.53 0.58 0.13 -0.74 -1.65 0.00 0.00 177.43 175.21 3k4n h HIS 415 N 0.67 0.73 0.00 1.19 -0.00 -0.84 0.19 115.15 117.09 3k4n h HIS 415 Ca 0.18 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 3k4n h HIS 415 Cb 0.09 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 3k4n h HIS 415 CO -0.01 0.61 -0.37 0.52 -0.00 0.00 0.00 177.93 178.68 3k4n h MET 416 N 0.70 0.00 0.13 5.26 2.86 -0.64 -2.05 114.93 121.17 3k4n h MET 416 Ca 0.16 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.44 3k4n h MET 416 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3k4n h MET 416 CO -0.00 0.37 -1.94 0.52 1.06 0.00 0.00 176.91 176.91 3k4n h MET 417 N 0.00 0.27 0.00 1.72 2.07 -0.46 -3.34 114.93 115.19 3k4n h MET 417 Ca -0.00 -0.46 0.00 0.00 -2.07 0.00 0.00 59.70 57.17 3k4n h MET 417 Cb 0.90 0.17 0.00 0.00 -1.87 0.00 0.00 31.60 30.81 3k4n h MET 417 CO 0.05 1.19 -0.27 1.04 1.07 0.00 0.00 176.91 179.99 3k4n n GLN 418 N -3.47 0.07 -3.19 1.72 6.02 0.58 -4.28 117.38 114.82 3k4n n GLN 418 Ca -0.30 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.51 3k4n n GLN 418 Cb 1.05 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.69 3k4n n GLN 418 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k4n n HIS 419 N -1.68 0.33 0.35 1.08 8.25 -0.77 -4.94 115.22 117.83 3k4n n HIS 419 Ca 0.06 -3.72 0.14 0.00 -0.26 0.00 0.00 57.72 53.94 3k4n n HIS 419 Cb 0.36 -0.40 0.57 0.00 1.12 0.00 0.00 29.99 31.65 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 3.61 0.00 -0.02 -0.41 4.20 -1.75 0.70 115.11 121.44 3k4n h GLN 420 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3k4n h GLN 420 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3k4n h GLN 420 CO 0.52 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.83 3k4n n GLU 421 N -2.48 1.11 -4.20 1.46 0.00 -1.26 -4.46 120.64 110.80 3k4n n GLU 421 Ca 0.01 -0.16 -0.34 0.00 0.00 0.00 0.00 57.16 56.67 3k4n n GLU 421 Cb 0.23 -1.35 -0.11 0.00 0.00 0.00 0.00 31.44 30.21 3k4n n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4n s ASP 422 N -1.68 5.24 0.00 -1.84 2.15 0.23 -4.99 116.67 115.78 3k4n s ASP 422 Ca 0.33 -0.01 0.10 0.00 0.43 0.00 0.00 52.55 53.40 3k4n s ASP 422 Cb 0.15 -1.87 0.34 0.00 -0.30 0.00 0.00 42.92 41.25 3k4n s ASP 422 CO 0.26 0.18 1.26 -0.81 -0.17 0.00 0.00 175.17 175.89 3k4n n PRO 423 N 3.48 1.59 -4.65 4.34 -0.04 -1.26 -4.89 135.00 133.56 3k4n n PRO 423 Ca -0.17 -0.91 -0.24 0.00 -0.04 0.00 0.00 63.50 62.14 3k4n n PRO 423 Cb 0.52 -1.23 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.10 2.11 0.00 1.53 1.43 -1.26 -5.03 118.68 116.36 3k4n s LEU 424 Ca 0.20 -0.42 0.28 0.00 -1.03 0.00 0.00 54.13 53.16 3k4n s LEU 424 Cb 0.10 -0.86 1.10 0.00 0.03 0.00 0.00 46.19 46.57 3k4n s LEU 424 CO 0.14 0.15 1.82 -0.81 0.23 0.00 0.00 176.35 177.88 3k4n n PRO 425 N 2.19 0.16 -2.75 1.29 -0.04 -1.26 -4.83 135.00 129.75 3k4n n PRO 425 Ca -0.16 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 3k4n n PRO 425 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.87 4.84 0.63 0.52 1.01 -1.26 -4.54 121.20 119.52 3k4n s ILE 426 Ca 0.17 1.94 -0.18 0.00 0.00 0.00 0.00 60.65 62.59 3k4n s ILE 426 Cb 0.19 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3k4n s ILE 426 CO 0.55 0.06 1.24 -2.84 0.00 0.00 0.00 174.94 173.95 3k4n s PRO 427 N 1.71 2.74 0.00 2.79 0.02 -1.26 -4.97 135.00 136.03 3k4n s PRO 427 Ca 0.47 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3k4n s PRO 427 Cb -0.19 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3k4n s PRO 427 CO 0.19 -1.40 0.86 1.19 -0.33 0.00 0.00 177.00 177.51 3k4n n PHE 428 N -1.82 0.00 -2.33 6.54 3.72 -1.26 -3.70 117.46 118.60 3k4n n PHE 428 Ca 0.14 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.19 3k4n n PHE 428 Cb 0.49 -0.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3k4n n PHE 428 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3k4n s GLU 429 N -2.44 3.11 -0.03 -1.08 8.01 -1.26 -4.85 118.70 120.16 3k4n s GLU 429 Ca 0.00 -0.66 -0.00 0.00 0.01 0.00 0.00 54.97 54.32 3k4n s GLU 429 Cb 0.00 -5.12 0.03 0.00 -4.31 0.00 0.00 34.13 24.73 3k4n s GLU 429 CO 0.00 -2.69 0.02 0.34 0.01 0.00 0.00 175.26 172.94 3k4n s ASP 430 N 6.25 0.54 0.84 -0.19 2.15 -1.24 -5.03 116.67 119.98 3k4n s ASP 430 Ca 0.56 -0.00 -0.11 0.00 0.43 0.00 0.00 52.55 53.43 3k4n s ASP 430 Cb -0.04 -0.19 0.09 0.00 -0.30 0.00 0.00 42.92 42.48 3k4n s ASP 430 CO -0.03 -0.14 1.09 -2.84 -0.17 0.00 0.00 175.17 173.09 3k4n s PRO 431 N 1.27 1.73 0.55 4.34 0.02 -1.26 -4.98 135.00 136.67 3k4n s PRO 431 Ca -0.06 1.05 -0.06 0.00 0.02 0.00 0.00 61.00 61.95 3k4n s PRO 431 Cb -0.13 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3k4n s PRO 431 CO -0.02 -1.98 0.87 -1.83 -0.33 0.00 0.00 177.00 173.70 3k4n s GLU 432 N -4.89 3.24 0.65 5.54 1.03 -1.26 -4.52 118.70 118.49 3k4n s GLU 432 Ca 0.62 0.16 -0.15 0.00 0.03 0.00 0.00 54.97 55.64 3k4n s GLU 432 Cb -0.18 -2.29 -0.01 0.00 -0.80 0.00 0.00 34.13 30.85 3k4n s GLU 432 CO 0.57 -0.49 1.09 -2.14 -1.33 0.00 0.00 175.26 172.96 3k4n s PRO 433 N -4.91 2.92 -0.39 -4.83 0.02 -1.26 -4.61 135.00 121.93 3k4n s PRO 433 Ca 0.51 1.29 0.09 0.00 0.02 0.00 0.00 61.00 62.90 3k4n s PRO 433 Cb -0.10 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.71 3k4n s PRO 433 CO 0.46 -1.14 0.59 1.04 -0.33 0.00 0.00 177.00 177.62 3k4n n GLN 434 N -2.44 0.77 -3.82 5.54 1.13 -1.25 -3.38 117.38 113.92 3k4n n GLN 434 Ca 0.10 -3.12 -0.35 0.00 -1.94 0.00 0.00 57.00 51.68 3k4n n GLN 434 Cb 0.52 -1.31 -0.08 0.00 0.11 0.00 0.00 30.24 29.48 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 -1.24 5.34 0.01 5.09 1.01 0.11 -0.62 120.40 130.10 3k4n s VAL 435 Ca 0.35 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3k4n s VAL 435 Cb 0.21 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3k4n s VAL 435 CO -0.11 0.50 -0.06 0.28 0.00 0.00 0.00 175.10 175.71 3k4n s THR 436 N -0.06 0.41 -0.27 3.92 -1.32 -0.81 0.14 115.64 117.65 3k4n s THR 436 Ca 0.10 -0.53 -0.00 0.00 -1.21 0.00 0.00 61.69 60.04 3k4n s THR 436 Cb -0.11 -0.41 0.04 0.00 -1.51 0.00 0.00 72.50 70.51 3k4n s THR 436 CO 0.00 -0.09 -0.05 0.28 -2.21 0.00 0.00 174.62 172.54 3k4n s THR 437 N -0.61 2.73 0.39 5.08 -1.32 -1.26 -1.77 115.64 118.87 3k4n s THR 437 Ca -0.03 -1.32 -0.25 0.00 -1.21 0.00 0.00 61.69 58.87 3k4n s THR 437 Cb -0.05 -2.51 -0.09 0.00 -1.51 0.00 0.00 72.50 68.35 3k4n s THR 437 CO -0.00 0.02 1.17 -0.76 -2.21 0.00 0.00 174.62 172.84 3k4n s LEU 438 N 1.24 4.22 -0.27 9.08 1.43 -1.26 -3.91 118.68 129.20 3k4n s LEU 438 Ca -0.04 2.35 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 3k4n s LEU 438 Cb -0.19 -4.00 -0.12 0.00 0.03 0.00 0.00 46.19 41.91 3k4n s LEU 438 CO -0.03 -0.64 0.95 0.33 0.23 0.00 0.00 176.35 177.19 3k4n n PHE 439 N 0.15 1.01 -4.24 0.29 -0.00 -1.10 -4.95 117.46 108.62 3k4n n PHE 439 Ca 0.04 0.71 -0.13 0.00 -0.00 0.00 0.00 57.45 58.06 3k4n n PHE 439 Cb 0.46 -1.37 -0.10 0.00 -0.00 0.00 0.00 39.48 38.47 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 1.64 1.08 0.14 -4.13 -1.52 -1.06 -4.91 119.66 110.90 3k4n s GLN 440 Ca 0.64 -1.50 0.23 0.00 -1.95 0.00 0.00 55.36 52.78 3k4n s GLN 440 Cb -0.91 -0.32 0.91 0.00 -0.22 0.00 0.00 33.01 32.46 3k4n s GLN 440 CO 0.49 -0.09 1.72 -2.30 -0.25 0.00 0.00 175.29 174.86 3k4n n PRO 441 N -0.22 0.13 0.00 2.91 -0.02 -1.26 -1.19 135.00 135.35 3k4n n PRO 441 Ca -0.08 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 3k4n n PRO 441 Cb 0.63 -1.70 0.42 0.00 -0.02 0.00 0.00 33.50 32.82 3k4n n PRO 441 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k4n n SER 442 N -1.95 0.34 -3.04 2.55 3.41 -1.26 -4.32 113.62 109.35 3k4n n SER 442 Ca 0.04 -0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 3k4n n SER 442 Cb 0.29 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3k4n n SER 442 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4n n HIS 443 N -1.42 -2.25 -1.35 7.33 1.44 -0.38 -5.08 115.22 113.52 3k4n n HIS 443 Ca 0.07 -2.42 -0.38 0.00 -2.01 0.00 0.00 57.72 52.98 3k4n n HIS 443 Cb 0.33 0.80 -0.02 0.00 0.12 0.00 0.00 29.99 31.22 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 2.50 3.33 -3.49 -1.40 -0.04 -0.34 -2.55 135.00 133.01 3k4n n PRO 444 Ca 0.21 -2.22 -0.13 0.00 -0.04 0.00 0.00 63.50 61.33 3k4n n PRO 444 Cb 0.54 -2.88 -0.04 0.00 -0.04 0.00 0.00 33.50 31.08 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 2.57 -0.50 0.19 0.54 -2.14 -1.26 -4.39 118.94 113.94 3k4n s TRP 445 Ca 0.62 0.46 -0.13 0.00 2.66 0.00 0.00 56.10 59.71 3k4n s TRP 445 Cb 0.16 0.46 -0.07 0.00 -3.10 0.00 0.00 33.47 30.92 3k4n s TRP 445 CO -0.06 -0.75 0.56 -1.58 -2.66 0.00 0.00 176.95 172.46 3k4n s HIS 446 N -3.02 3.53 0.01 1.66 5.65 -0.75 -2.70 115.29 119.68 3k4n s HIS 446 Ca -0.02 1.01 0.04 0.00 0.25 0.00 0.00 55.06 56.34 3k4n s HIS 446 Cb -0.00 -2.34 -0.01 0.00 -1.18 0.00 0.00 32.58 29.04 3k4n s HIS 446 CO -0.06 0.35 -0.12 0.95 -0.65 0.00 0.00 174.74 175.21 3k4n s THR 447 N -1.62 0.98 -0.12 0.89 -4.23 -1.25 -0.45 115.64 109.84 3k4n s THR 447 Ca 0.42 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 3k4n s THR 447 Cb -0.13 -0.85 0.05 0.00 1.34 0.00 0.00 72.50 72.90 3k4n s THR 447 CO 0.20 0.14 0.07 -1.10 -0.54 0.00 0.00 174.62 173.38 3k4n s GLN 448 N -0.65 0.11 -0.47 3.99 -0.21 0.50 -4.28 119.66 118.65 3k4n s GLN 448 Ca 0.03 0.06 -0.06 0.00 0.02 0.00 0.00 55.36 55.41 3k4n s GLN 448 Cb -0.06 -1.34 0.12 0.00 1.00 0.00 0.00 33.01 32.74 3k4n s GLN 448 CO 0.00 -0.52 0.31 0.42 -2.12 0.00 0.00 175.29 173.38 3k4n s ILE 449 N 2.11 3.80 0.00 1.08 1.01 0.37 -1.38 121.20 128.19 3k4n s ILE 449 Ca 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 58.63 3k4n s ILE 449 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3k4n s ILE 449 CO -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 174.94 174.11 3k4n n HIS 450 N 4.59 -0.21 -3.71 3.97 1.44 -0.52 0.07 115.22 120.85 3k4n n HIS 450 Ca -0.03 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.50 3k4n n HIS 450 Cb 0.41 0.00 -0.17 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 0.35 -0.06 0.01 -1.40 1.81 -1.22 0.57 118.95 119.01 3k4n s ARG 451 Ca 0.00 0.30 0.02 0.00 -1.72 0.00 0.00 55.73 54.33 3k4n s ARG 451 Cb 0.00 -0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 34.08 3k4n s ARG 451 CO 0.00 -0.27 -0.07 0.34 -0.68 0.00 0.00 175.30 174.63 3k4n s ASP 452 N 1.73 0.77 -0.53 0.23 -1.08 -1.26 -4.99 116.67 111.55 3k4n s ASP 452 Ca -0.01 -0.28 -0.09 0.00 -0.52 0.00 0.00 52.55 51.65 3k4n s ASP 452 Cb -0.12 -0.03 -0.16 0.00 -1.46 0.00 0.00 42.92 41.15 3k4n s ASP 452 CO -0.03 -0.03 1.24 0.00 0.52 0.00 0.00 175.17 176.87 3k4n n ALA 453 N 2.36 0.43 -2.50 3.66 0.00 -1.26 -4.90 120.51 118.31 3k4n n ALA 453 Ca -0.17 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 3k4n n ALA 453 Cb 0.57 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 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 1.80 2.18 -0.24 0.00 0.00 -1.26 -4.73 121.76 119.51 3k4n s ALA 454 Ca 0.70 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 3k4n s ALA 454 Cb -0.53 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 3k4n s ALA 454 CO 0.28 0.48 2.99 0.00 0.00 0.00 0.00 175.76 179.51 3k4n n ALA 455 N 2.66 6.16 -0.35 0.00 0.00 -1.26 -4.82 120.51 122.90 3k4n n ALA 455 Ca -0.17 -2.28 -0.14 0.00 0.00 0.00 0.00 53.44 50.86 3k4n n ALA 455 Cb 0.51 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 3k4n n ALA 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k4n n ALA 456 N 1.49 -0.62 -1.31 0.00 0.00 -1.26 -4.94 120.51 113.86 3k4n n ALA 456 Ca 0.42 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3k4n n ALA 456 Cb 0.69 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3k4n n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4n n GLY 457 N 0.64 -0.27 0.03 0.00 0.00 -1.26 -4.62 105.19 99.71 3k4n n GLY 457 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.95 2.02 0.01 4.61 0.00 -1.26 -4.67 120.51 119.27 3k4n n ALA 458 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3k4n n ALA 458 Cb 0.00 0.39 0.27 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.29 1.11 -0.84 0.00 0.31 -1.26 -3.95 118.33 111.40 3k4n n VAL 459 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.48 3k4n n VAL 459 Cb 0.39 0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 1.02 0.00 0.00 5.55 6.02 -1.26 -1.94 117.38 126.76 3k4n n GLN 460 Ca 0.20 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.29 3k4n n GLN 460 Cb 0.61 -0.32 -0.05 0.00 1.02 0.00 0.00 30.24 31.50 3k4n n GLN 460 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3k4n n GLN 461 N 0.00 0.76 -0.02 -1.09 3.00 -1.26 -4.55 117.38 114.22 3k4n n GLN 461 Ca 0.00 -0.59 -0.20 0.00 -0.01 0.00 0.00 57.00 56.20 3k4n n GLN 461 Cb 0.18 -1.48 -0.14 0.00 0.00 0.00 0.00 30.24 28.81 3k4n n GLN 461 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3k4n n SER 462 N -0.62 2.06 -4.75 1.08 2.88 -1.25 -4.71 113.62 108.30 3k4n n SER 462 Ca 0.07 0.16 -0.39 0.00 -1.33 0.00 0.00 58.87 57.38 3k4n n SER 462 Cb 0.41 -0.77 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 3k4n n SER 462 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3k4n s ILE 463 N -2.55 4.80 -0.08 2.46 -1.09 -0.82 -5.00 121.20 118.92 3k4n s ILE 463 Ca -0.24 1.47 -0.33 0.00 -2.23 0.00 0.00 60.65 59.33 3k4n s ILE 463 Cb 0.07 -4.04 -0.11 0.00 -1.58 0.00 0.00 42.46 36.80 3k4n s ILE 463 CO 0.75 0.39 1.92 -0.67 -1.23 0.00 0.00 174.94 176.10 3k4n n ASP 464 N 2.76 3.56 -0.27 3.58 -0.08 -1.26 -4.70 116.55 120.14 3k4n n ASP 464 Ca -0.04 0.92 0.03 0.00 -1.51 0.00 0.00 54.79 54.19 3k4n n ASP 464 Cb 0.50 -1.41 0.09 0.00 2.34 0.00 0.00 41.12 42.65 3k4n n ASP 464 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3k4n n SER 465 N 7.10 -0.32 0.24 1.67 3.41 -1.26 -0.32 113.62 124.15 3k4n n SER 465 Ca 0.23 1.29 0.16 0.00 -0.26 0.00 0.00 58.87 60.29 3k4n n SER 465 Cb 0.32 -0.37 0.85 0.00 -0.26 0.00 0.00 64.21 64.75 3k4n n SER 465 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3k4n h ARG 466 N 0.00 0.00 0.00 4.33 3.08 -1.98 0.27 114.38 120.08 3k4n h ARG 466 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3k4n h ARG 466 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3k4n h ARG 466 CO -0.76 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.42 3k4n n LEU 467 N -3.85 0.76 -4.82 3.04 4.77 0.57 -4.87 117.00 112.59 3k4n n LEU 467 Ca -0.00 0.61 -0.38 0.00 -0.03 0.00 0.00 56.01 56.21 3k4n n LEU 467 Cb 0.23 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 3k4n n LEU 467 CO 0.28 -0.34 0.10 -0.63 -1.33 0.00 0.00 177.39 175.47 3k4n s ILE 468 N -3.19 5.06 0.06 -0.08 1.01 0.95 -0.23 121.20 124.76 3k4n s ILE 468 Ca 0.08 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.61 3k4n s ILE 468 Cb 0.11 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 3k4n s ILE 468 CO 0.51 0.55 -0.13 -0.69 0.00 0.00 0.00 174.94 175.19 3k4n s VAL 469 N -0.86 0.97 0.04 2.92 1.01 -0.65 -4.97 120.40 118.87 3k4n s VAL 469 Ca 0.24 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3k4n s VAL 469 Cb -0.16 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3k4n s VAL 469 CO 0.13 -0.21 0.12 -1.81 0.00 0.00 0.00 175.10 173.32 3k4n s ASP 470 N -1.56 5.82 -0.11 3.32 1.11 0.19 -1.30 116.67 124.15 3k4n s ASP 470 Ca -0.03 0.13 0.00 0.00 0.18 0.00 0.00 52.55 52.83 3k4n s ASP 470 Cb -0.09 -1.67 0.02 0.00 1.07 0.00 0.00 42.92 42.24 3k4n s ASP 470 CO 0.02 0.21 -0.10 0.26 1.18 0.00 0.00 175.17 176.73 3k4n s TRP 471 N -1.36 1.58 -0.12 4.23 0.52 -0.44 -1.44 118.94 121.92 3k4n s TRP 471 Ca 0.29 -0.76 -0.02 0.00 0.02 0.00 0.00 56.10 55.63 3k4n s TRP 471 Cb -0.12 -1.25 0.04 0.00 -1.15 0.00 0.00 33.47 30.99 3k4n s TRP 471 CO 0.21 -0.48 0.01 1.03 0.02 0.00 0.00 176.95 177.75 3k4n s ARG 472 N 1.40 0.64 -0.13 4.98 0.52 -0.48 -2.82 118.95 123.05 3k4n s ARG 472 Ca -0.00 -0.10 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 3k4n s ARG 472 Cb -0.13 -1.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 3k4n s ARG 472 CO -0.05 -0.44 -0.08 -0.06 0.02 0.00 0.00 175.30 174.69 3k4n s PHE 473 N 1.93 2.93 -0.26 -0.53 0.40 -0.91 -0.37 117.98 121.16 3k4n s PHE 473 Ca 0.03 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 3k4n s PHE 473 Cb -0.14 -1.88 0.05 0.00 0.51 0.00 0.00 43.02 41.56 3k4n s PHE 473 CO -0.06 -0.05 -0.08 -0.06 0.70 0.00 0.00 175.22 175.67 3k4n s PHE 474 N 0.18 3.22 0.60 0.36 0.40 0.41 -1.59 117.98 121.56 3k4n s PHE 474 Ca -0.04 -2.09 -0.09 0.00 -0.60 0.00 0.00 56.93 54.11 3k4n s PHE 474 Cb -0.14 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 3k4n s PHE 474 CO 0.04 -0.84 0.96 0.20 0.70 0.00 0.00 175.22 176.28 3k4n s GLY 475 N 1.17 1.60 -0.14 4.36 0.00 0.65 -1.81 107.32 113.16 3k4n s GLY 475 Ca -0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 3k4n s GLY 475 CO -0.04 -0.12 0.07 1.09 0.00 0.00 0.00 173.10 174.10 3k4n s ARG 476 N -5.08 3.59 -0.17 2.90 1.70 -1.26 -3.87 118.95 116.76 3k4n s ARG 476 Ca 0.54 -0.29 -0.03 0.00 -0.47 0.00 0.00 55.73 55.48 3k4n s ARG 476 Cb -0.11 -3.12 -0.02 0.00 -0.57 0.00 0.00 34.95 31.14 3k4n s ARG 476 CO 0.49 0.53 -0.05 0.99 -1.08 0.00 0.00 175.30 176.18 3k4n s THR 477 N -0.35 3.67 0.25 4.99 2.01 -1.26 -4.75 115.64 120.19 3k4n s THR 477 Ca 0.09 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 3k4n s THR 477 Cb -0.12 -2.61 -0.11 0.00 0.01 0.00 0.00 72.50 69.67 3k4n s THR 477 CO 0.02 0.48 1.55 -1.61 -0.69 0.00 0.00 174.62 174.37 3k4n s GLU 478 N 0.59 4.19 0.03 4.92 2.02 -1.26 -4.13 118.70 125.06 3k4n s GLU 478 Ca -0.03 2.45 -0.30 0.00 0.02 0.00 0.00 54.97 57.10 3k4n s GLU 478 Cb -0.15 -3.08 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 3k4n s GLU 478 CO 0.03 -0.57 1.26 -1.25 0.02 0.00 0.00 175.26 174.75 3k4n s PRO 479 N -0.01 4.37 -0.03 0.39 0.05 -1.26 -4.86 135.00 133.66 3k4n s PRO 479 Ca 0.64 1.82 0.03 0.00 0.05 0.00 0.00 61.00 63.55 3k4n s PRO 479 Cb -0.45 -3.42 -0.00 0.00 0.05 0.00 0.00 34.50 30.68 3k4n s PRO 479 CO 0.42 -0.38 -0.12 0.15 0.05 0.00 0.00 177.00 177.12 3k4n s LYS 480 N 1.54 1.26 0.37 4.56 -0.14 -1.26 -4.97 119.74 121.09 3k4n s LYS 480 Ca 0.60 -0.43 0.10 0.00 -1.36 0.00 0.00 55.97 54.88 3k4n s LYS 480 Cb -0.30 -1.14 0.85 0.00 -1.68 0.00 0.00 37.83 35.56 3k4n s LYS 480 CO 0.27 0.18 1.88 1.49 -0.76 0.00 0.00 175.35 178.41 3k4n h GLU 481 N 6.27 0.63 0.00 1.68 4.81 -1.93 -1.79 114.58 124.26 3k4n h GLU 481 Ca -0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3k4n h GLU 481 Cb 1.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3k4n h GLU 481 CO 0.48 0.42 0.00 -0.85 -0.73 0.00 0.00 179.01 178.33 3k4n n GLU 482 N -4.55 0.05 -3.00 1.92 0.00 -1.26 -3.95 120.64 109.85 3k4n n GLU 482 Ca 0.17 0.21 -0.43 0.00 0.00 0.00 0.00 57.16 57.12 3k4n n GLU 482 Cb 0.48 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 30.28 3k4n n GLU 482 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3k4n s ASN 483 N -3.29 6.42 0.07 -1.84 0.01 -0.70 -4.83 114.94 110.77 3k4n s ASN 483 Ca 0.09 -0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.28 3k4n s ASN 483 Cb 0.12 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 3k4n s ASN 483 CO 0.37 -0.83 -0.22 -0.54 -1.51 0.00 0.00 177.10 174.38 3k4n s LYS 484 N 3.12 1.34 -0.32 -0.60 1.02 -0.71 -2.36 119.74 121.23 3k4n s LYS 484 Ca 0.28 -1.06 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 3k4n s LYS 484 Cb -0.13 -1.54 0.05 0.00 -0.52 0.00 0.00 37.83 35.69 3k4n s LYS 484 CO 0.20 0.38 0.05 -1.17 -0.92 0.00 0.00 175.35 173.89 3k4n s LEU 485 N -1.49 4.12 0.50 3.17 2.96 -0.58 -0.65 118.68 126.72 3k4n s LEU 485 Ca 0.08 -1.23 0.03 0.00 -0.22 0.00 0.00 54.13 52.79 3k4n s LEU 485 Cb -0.09 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3k4n s LEU 485 CO 0.03 -0.30 0.11 -1.66 -1.32 0.00 0.00 176.35 173.21 3k4n s TRP 486 N 1.32 1.91 -0.04 5.38 1.48 -0.66 -4.54 118.94 123.78 3k4n s TRP 486 Ca -0.03 -0.88 0.01 0.00 -1.06 0.00 0.00 56.10 54.13 3k4n s TRP 486 Cb -0.20 -1.72 0.02 0.00 -1.16 0.00 0.00 33.47 30.42 3k4n s TRP 486 CO 0.01 0.08 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.88 3k4n s PHE 487 N -2.82 0.68 0.29 1.66 0.08 -1.26 -0.94 117.98 115.66 3k4n s PHE 487 Ca 0.17 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 3k4n s PHE 487 Cb 0.01 -0.62 -0.11 0.00 -0.57 0.00 0.00 43.02 41.74 3k4n s PHE 487 CO 0.10 -0.18 1.48 0.45 -0.10 0.00 0.00 175.22 176.97 3k4n s SER 488 N 0.89 6.54 0.00 1.36 0.15 -0.36 0.57 113.70 122.85 3k4n s SER 488 Ca -0.12 2.80 0.29 0.00 0.70 0.00 0.00 55.95 59.63 3k4n s SER 488 Cb -0.14 -2.63 1.26 0.00 -1.71 0.00 0.00 66.02 62.79 3k4n s SER 488 CO 0.00 -0.77 1.89 -0.90 1.20 0.00 0.00 173.24 174.67 3k4n n ASP 489 N 1.90 0.25 -0.00 5.45 5.68 -1.26 -4.16 116.55 124.40 3k4n n ASP 489 Ca 0.06 -0.24 -0.04 0.00 -0.50 0.00 0.00 54.79 54.06 3k4n n ASP 489 Cb 0.39 -0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.18 3k4n n ASP 489 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k4n n LYS 490 N -1.19 0.14 -1.91 0.11 5.02 -1.26 -5.05 118.16 114.02 3k4n n LYS 490 Ca 0.12 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 3k4n n LYS 490 Cb 0.28 -0.75 0.06 0.00 -0.02 0.00 0.00 35.03 34.61 3k4n n LYS 490 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3k4n s ILE 491 N -2.20 2.97 0.01 -0.18 -1.09 -1.26 -5.00 121.20 114.44 3k4n s ILE 491 Ca -0.08 0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 58.46 3k4n s ILE 491 Cb 0.02 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3k4n s ILE 491 CO 0.12 -0.40 0.38 0.42 -1.23 0.00 0.00 174.94 174.22 3k4n s THR 492 N -3.42 0.06 0.56 2.92 -4.23 -1.26 -2.60 115.64 107.67 3k4n s THR 492 Ca 0.59 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.57 3k4n s THR 492 Cb -0.11 -0.82 0.12 0.00 1.34 0.00 0.00 72.50 73.03 3k4n s THR 492 CO 0.50 -0.26 0.77 -0.90 -0.54 0.00 0.00 174.62 174.20 3k4n n ASP 493 N 0.86 0.36 0.26 3.99 5.68 -0.03 -4.73 116.55 122.94 3k4n n ASP 493 Ca -0.20 -1.46 0.16 0.00 -0.50 0.00 0.00 54.79 52.79 3k4n n ASP 493 Cb 0.58 -0.56 0.73 0.00 -1.14 0.00 0.00 41.12 40.73 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 -1.37 1.62 -0.37 2.12 0.00 -1.99 -1.48 119.26 117.80 3k4n h ALA 494 Ca -0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3k4n h ALA 494 Cb 0.76 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3k4n h ALA 494 CO 0.21 -0.50 0.02 0.66 0.00 0.00 0.00 179.25 179.64 3k4n n TYR 495 N -3.08 1.28 -3.99 0.00 4.02 -1.26 -4.97 117.16 109.16 3k4n n TYR 495 Ca 0.01 -0.98 -0.33 0.00 -0.01 0.00 0.00 57.90 56.59 3k4n n TYR 495 Cb 0.52 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 3k4n n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4n n ASN 496 N -0.41 -3.00 -4.95 7.72 4.13 -0.56 -5.01 115.26 113.19 3k4n n ASN 496 Ca 0.26 -0.82 -0.24 0.00 1.68 0.00 0.00 54.58 55.45 3k4n n ASN 496 Cb 1.01 -2.49 -0.03 0.00 -1.54 0.00 0.00 39.78 36.73 3k4n n ASN 496 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3k4n s MET 497 N -6.67 3.46 0.30 3.52 -1.94 -1.26 -4.84 119.30 111.88 3k4n s MET 497 Ca 0.64 -0.56 -0.28 0.00 -1.71 0.00 0.00 55.69 53.78 3k4n s MET 497 Cb -0.36 -2.88 -0.13 0.00 2.01 0.00 0.00 34.83 33.47 3k4n s MET 497 CO 0.79 0.42 1.13 -2.30 -0.01 0.00 0.00 175.02 175.05 3k4n n PRO 498 N -1.00 1.66 -2.43 2.03 -0.02 -1.26 -0.85 135.00 133.13 3k4n n PRO 498 Ca -0.07 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3k4n n PRO 498 Cb 0.55 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.61 4.42 0.30 -0.52 2.00 -1.07 -4.48 119.66 118.69 3k4n s GLN 499 Ca 0.58 1.75 -0.30 0.00 -2.00 0.00 0.00 55.36 55.39 3k4n s GLN 499 Cb -0.65 -3.40 -0.11 0.00 0.80 0.00 0.00 33.01 29.65 3k4n s GLN 499 CO 0.60 -0.30 1.58 -2.14 -0.50 0.00 0.00 175.29 174.54 3k4n s PRO 500 N 1.32 4.12 -0.01 1.67 0.02 -1.26 -1.23 135.00 139.63 3k4n s PRO 500 Ca 0.58 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.19 3k4n s PRO 500 Cb -0.28 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3k4n s PRO 500 CO 0.28 -0.62 -0.06 0.99 -0.33 0.00 0.00 177.00 177.26 3k4n s THR 501 N -0.06 0.49 0.04 0.99 2.01 -0.12 -4.62 115.64 114.37 3k4n s THR 501 Ca 0.63 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.40 3k4n s THR 501 Cb -0.48 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3k4n s THR 501 CO 0.49 0.16 0.14 -0.36 -0.69 0.00 0.00 174.62 174.35 3k4n s PHE 502 N 0.11 3.37 -0.55 4.92 0.08 -1.26 -1.66 117.98 122.99 3k4n s PHE 502 Ca -0.01 0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.29 3k4n s PHE 502 Cb -0.05 -1.72 0.18 0.00 -0.57 0.00 0.00 43.02 40.85 3k4n s PHE 502 CO -0.00 0.57 0.44 -3.47 -0.10 0.00 0.00 175.22 172.66 3k4n n ASP 503 N 0.63 1.29 -4.12 1.36 -0.08 0.18 -4.66 116.55 111.16 3k4n n ASP 503 Ca -0.09 -2.81 -0.26 0.00 -1.51 0.00 0.00 54.79 50.13 3k4n n ASP 503 Cb 0.52 -0.65 -0.16 0.00 2.34 0.00 0.00 41.12 43.17 3k4n n ASP 503 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3k4n s PHE 504 N -0.80 1.64 0.02 -0.67 2.19 0.95 -1.74 117.98 119.56 3k4n s PHE 504 Ca 0.30 -0.47 -0.02 0.00 0.33 0.00 0.00 56.93 57.06 3k4n s PHE 504 Cb 0.02 -1.11 -0.01 0.00 -1.31 0.00 0.00 43.02 40.60 3k4n s PHE 504 CO -0.17 -0.17 0.01 1.03 1.83 0.00 0.00 175.22 177.75 3k4n s ARG 505 N 0.09 0.36 -0.08 10.12 1.81 -1.26 -3.81 118.95 126.17 3k4n s ARG 505 Ca -0.04 -0.56 -0.30 0.00 -1.72 0.00 0.00 55.73 53.11 3k4n s ARG 505 Cb -0.11 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 3k4n s ARG 505 CO 0.02 -0.07 1.52 -0.06 -0.68 0.00 0.00 175.30 176.03 3k4n s PHE 506 N -1.46 2.29 0.11 -0.53 0.08 -1.26 -4.92 117.98 112.29 3k4n s PHE 506 Ca -0.16 0.48 -0.35 0.00 0.12 0.00 0.00 56.93 57.02 3k4n s PHE 506 Cb -0.09 -3.78 -0.17 0.00 -0.57 0.00 0.00 43.02 38.41 3k4n s PHE 506 CO -0.00 -3.12 1.05 -2.30 -0.10 0.00 0.00 175.22 170.75 3k4n n PRO 507 N 6.86 0.60 -0.72 0.24 -0.02 -1.26 -4.84 135.00 135.85 3k4n n PRO 507 Ca 0.16 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 3k4n n PRO 507 Cb 0.43 -1.65 0.20 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.17 0.66 0.00 3.55 0.00 -1.26 -2.60 121.76 121.93 3k4n s ALA 508 Ca 0.79 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3k4n s ALA 508 Cb -1.01 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 18.79 3k4n s ALA 508 CO 0.54 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 173.56 3k4n n GLY 509 N 0.22 0.93 0.18 0.00 0.00 -1.26 -4.35 105.19 100.91 3k4n n GLY 509 Ca 0.07 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -0.21 1.61 2.43 -1.98 -0.02 114.38 116.20 3k4n h ARG 510 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3k4n h ARG 510 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3k4n h ARG 510 CO 0.00 0.25 -0.45 1.15 -1.51 0.00 0.00 179.97 179.42 3k4n h THR 511 N 0.00 1.31 0.19 0.20 2.02 -1.76 -1.94 112.91 112.93 3k4n h THR 511 Ca -0.00 -1.63 -0.33 0.00 0.77 0.00 0.00 66.41 65.22 3k4n h THR 511 Cb 1.19 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 69.25 3k4n h THR 511 CO 0.03 0.51 -1.54 0.28 0.37 0.00 0.00 175.52 175.17 3k4n h SER 512 N 0.42 0.61 -0.36 4.18 0.02 -1.18 -2.25 113.55 114.99 3k4n h SER 512 Ca 0.03 -0.77 -0.09 0.00 -0.84 0.00 0.00 61.79 60.13 3k4n h SER 512 Cb 0.95 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 3k4n h SER 512 CO 0.08 1.62 -0.08 0.50 -1.14 0.00 0.00 176.83 177.82 3k4n h LYS 513 N 0.11 0.79 -0.26 3.45 3.64 -1.09 -2.65 116.57 120.56 3k4n h LYS 513 Ca -0.26 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 58.78 3k4n h LYS 513 Cb 2.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 3k4n h LYS 513 CO 0.21 0.85 -0.17 0.93 -2.27 0.00 0.00 179.45 178.99 3k4n h GLU 514 N 0.72 0.58 -0.79 1.90 5.08 -1.35 -1.99 114.58 118.73 3k4n h GLU 514 Ca 0.13 -0.27 0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3k4n h GLU 514 Cb 0.55 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 3k4n h GLU 514 CO 0.03 0.85 0.37 0.00 -1.00 0.00 0.00 179.01 179.27 3k4n h ALA 515 N 0.71 1.15 0.09 3.43 0.00 -1.12 0.34 119.26 123.87 3k4n h ALA 515 Ca 0.05 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3k4n h ALA 515 Cb 0.71 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3k4n h ALA 515 CO 0.05 -0.13 -0.86 1.49 0.00 0.00 0.00 179.25 179.81 3k4n h GLU 516 N 0.56 0.42 -0.99 0.00 4.57 -1.40 -1.67 114.58 116.06 3k4n h GLU 516 Ca 0.43 -0.57 0.19 0.00 -1.18 0.00 0.00 59.36 58.22 3k4n h GLU 516 Cb 0.60 0.19 -0.10 0.00 -0.16 0.00 0.00 28.75 29.28 3k4n h GLU 516 CO -0.36 1.23 0.61 -0.44 -1.18 0.00 0.00 179.01 178.88 3k4n h ASP 517 N -0.12 0.72 0.21 1.04 3.32 -0.57 0.80 116.42 121.82 3k4n h ASP 517 Ca -0.13 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3k4n h ASP 517 Cb 1.61 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.10 3k4n h ASP 517 CO 0.16 0.27 -0.18 -0.03 -1.72 0.00 0.00 179.24 177.75 3k4n h MET 518 N 0.71 -0.39 -0.95 3.56 4.05 -0.84 0.84 114.93 121.91 3k4n h MET 518 Ca 0.55 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 60.13 3k4n h MET 518 Cb 0.93 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.74 3k4n h MET 518 CO -0.33 -0.26 0.60 1.98 0.23 0.00 0.00 176.91 179.14 3k4n h MET 519 N -0.40 0.84 -0.11 0.39 1.85 -0.23 -0.48 114.93 116.79 3k4n h MET 519 Ca -0.01 -0.05 -0.14 0.00 -0.61 0.00 0.00 59.70 58.89 3k4n h MET 519 Cb 0.36 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 3k4n h MET 519 CO -0.02 0.55 -0.55 1.15 -0.40 0.00 0.00 176.91 177.63 3k4n h THR 520 N 0.86 1.35 -0.17 -0.77 2.02 -0.55 -2.99 112.91 112.66 3k4n h THR 520 Ca 0.47 -1.85 -0.08 0.00 0.77 0.00 0.00 66.41 65.72 3k4n h THR 520 Cb 0.58 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3k4n h THR 520 CO -0.24 0.56 -0.22 -0.78 0.37 0.00 0.00 175.52 175.20 3k4n h ASP 521 N 0.26 0.49 -0.93 4.18 3.58 0.54 -1.13 116.42 123.41 3k4n h ASP 521 Ca 0.00 -0.51 0.17 0.00 0.42 0.00 0.00 57.03 57.11 3k4n h ASP 521 Cb 1.06 -0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.87 3k4n h ASP 521 CO 0.09 0.90 0.52 -0.03 -2.88 0.00 0.00 179.24 177.85 3k4n h MET 522 N 0.09 0.67 -0.19 0.28 4.05 -1.10 0.91 114.93 119.64 3k4n h MET 522 Ca 0.02 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3k4n h MET 522 Cb 0.79 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 3k4n h MET 522 CO 0.05 0.44 0.02 0.00 0.23 0.00 0.00 176.91 177.66 3k4n h VAL 524 N 0.10 1.17 0.09 0.00 2.07 0.03 -2.88 116.25 116.83 3k4n h VAL 524 Ca 0.06 -0.41 -0.27 0.00 0.82 0.00 0.00 66.70 66.90 3k4n h VAL 524 Cb 0.33 0.51 0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3k4n h VAL 524 CO 0.01 0.18 -1.11 -0.03 0.02 0.00 0.00 177.57 176.64 3k4n h MET 525 N 0.69 0.59 0.00 1.57 -1.53 -0.77 -3.18 114.93 112.29 3k4n h MET 525 Ca 0.18 -0.76 -0.05 0.00 -3.44 0.00 0.00 59.70 55.63 3k4n h MET 525 Cb 0.03 0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 3k4n h MET 525 CO -0.03 1.33 -0.25 0.66 0.14 0.00 0.00 176.91 178.76 3k4n h SER 526 N 0.20 0.00 0.00 1.39 4.64 -1.07 -1.22 113.55 117.49 3k4n h SER 526 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3k4n h SER 526 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3k4n h SER 526 CO 0.21 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 3k4n n ALA 527 N -2.34 1.87 0.24 5.18 0.00 -1.09 -1.06 120.51 123.32 3k4n n ALA 527 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3k4n n ALA 527 Cb 0.35 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 3k4n n ALA 527 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k4n n LYS 528 N -0.90 0.75 -0.13 0.00 5.02 -0.46 -4.58 118.16 117.85 3k4n n LYS 528 Ca 0.06 -0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 3k4n n LYS 528 Cb 0.03 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 3k4n n LYS 528 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k4n n ILE 529 N -1.91 1.46 -3.86 -0.18 2.08 -0.22 -4.95 119.36 111.77 3k4n n ILE 529 Ca -0.01 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.76 3k4n n ILE 529 Cb 0.41 -1.45 0.01 0.00 -0.75 0.00 0.00 39.64 37.86 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 2.18 0.57 3.83 7.39 0.00 -0.95 0.42 105.19 118.63 3k4n n GLY 530 Ca -0.46 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.20 1.60 0.43 -0.02 0.00 -1.24 -4.12 107.32 100.76 3k4n s GLY 531 Ca 0.17 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 44.01 3k4n s GLY 531 CO 0.01 -0.07 1.29 -1.36 0.00 0.00 0.00 173.10 172.98 3k4n s PHE 532 N -3.41 2.76 -0.41 1.90 0.08 -1.26 -1.28 117.98 116.37 3k4n s PHE 532 Ca 0.64 1.42 -0.29 0.00 0.12 0.00 0.00 56.93 58.83 3k4n s PHE 532 Cb -0.13 -3.64 0.02 0.00 -0.57 0.00 0.00 43.02 38.70 3k4n s PHE 532 CO 0.52 -2.10 1.15 -1.17 -0.10 0.00 0.00 175.22 173.52 3k4n s LEU 533 N -2.65 3.75 0.12 -0.37 2.96 0.26 -4.64 118.68 118.12 3k4n s LEU 533 Ca 0.60 0.75 -0.33 0.00 -0.22 0.00 0.00 54.13 54.92 3k4n s LEU 533 Cb -0.37 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.65 3k4n s LEU 533 CO 0.47 -1.13 1.68 -2.65 -1.32 0.00 0.00 176.35 173.40 3k4n n PRO 534 N 7.50 2.32 0.00 0.98 -0.02 -1.26 -0.10 135.00 144.42 3k4n n PRO 534 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3k4n n PRO 534 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 3.75 0.52 2.31 -1.23 0.00 -1.26 -4.75 105.19 104.54 3k4n n GLY 535 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.08 -4.90 1.61 7.64 0.86 -5.06 113.62 113.69 3k4n n SER 536 Ca 0.00 -3.06 -0.29 0.00 1.01 0.00 0.00 58.87 56.54 3k4n n SER 536 Cb 0.00 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.97 3.86 -0.17 -3.43 1.43 -1.25 -1.31 118.68 115.84 3k4n s LEU 537 Ca 0.35 0.91 -0.41 0.00 -1.03 0.00 0.00 54.13 53.96 3k4n s LEU 537 Cb 0.29 -3.79 -0.18 0.00 0.03 0.00 0.00 46.19 42.54 3k4n s LEU 537 CO -0.09 -0.37 1.45 -2.65 0.23 0.00 0.00 176.35 174.92 3k4n n PRO 538 N -1.45 0.64 -3.50 1.29 -0.02 -1.26 -4.59 135.00 126.11 3k4n n PRO 538 Ca 0.00 0.23 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 3k4n n PRO 538 Cb 0.54 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.81 1.08 0.10 -0.52 -2.07 -0.93 -5.00 119.66 114.13 3k4n s GLN 539 Ca 0.94 0.11 -0.25 0.00 -1.82 0.00 0.00 55.36 54.34 3k4n s GLN 539 Cb -1.18 0.51 -0.07 0.00 -1.09 0.00 0.00 33.01 31.18 3k4n s GLN 539 CO 0.62 -0.37 0.76 -0.06 -1.32 0.00 0.00 175.29 174.92 3k4n s PHE 540 N -1.71 3.82 0.34 9.60 0.08 -1.26 -2.29 117.98 126.56 3k4n s PHE 540 Ca -0.08 1.53 -0.08 0.00 0.12 0.00 0.00 56.93 58.42 3k4n s PHE 540 Cb -0.00 -2.77 -0.06 0.00 -0.57 0.00 0.00 43.02 39.62 3k4n s PHE 540 CO 0.05 0.40 0.65 -1.64 -0.10 0.00 0.00 175.22 174.58 3k4n s MET 541 N -0.61 3.71 0.06 0.44 -1.94 -0.56 -4.98 119.30 115.41 3k4n s MET 541 Ca 0.37 0.22 -0.37 0.00 -1.71 0.00 0.00 55.69 54.20 3k4n s MET 541 Cb -0.22 -2.53 -0.16 0.00 2.01 0.00 0.00 34.83 33.93 3k4n s MET 541 CO 0.24 0.11 1.39 0.39 -0.01 0.00 0.00 175.02 177.14 3k4n n GLU 542 N -1.06 1.21 -1.72 2.03 -0.58 -1.26 -4.78 120.64 114.48 3k4n n GLU 542 Ca 0.00 0.44 -0.67 0.00 -0.42 0.00 0.00 57.16 56.51 3k4n n GLU 542 Cb 0.54 -2.09 -0.10 0.00 -0.57 0.00 0.00 31.44 29.22 3k4n n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3k4n n PRO 543 N 2.82 0.00 0.00 3.49 -0.02 -1.26 -1.28 135.00 138.75 3k4n n PRO 543 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3k4n n PRO 543 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3k4n n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4n n GLY 544 N 3.97 3.18 0.33 -1.23 0.00 -1.26 -0.16 105.19 110.01 3k4n n GLY 544 Ca 0.31 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.56 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 0.17 -1.90 0.99 5.85 -1.30 0.29 115.31 119.42 3k4n h LEU 545 Ca 0.00 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3k4n h LEU 545 Cb 0.00 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3k4n h LEU 545 CO 0.00 -0.30 -0.01 1.62 -0.34 0.00 0.00 178.44 179.41 3k4n h VAL 546 N 0.12 1.03 -4.22 1.05 3.04 -1.89 -3.47 116.25 111.92 3k4n h VAL 546 Ca 0.72 -0.13 -0.18 0.00 -1.01 0.00 0.00 66.70 66.10 3k4n h VAL 546 Cb 1.72 1.03 0.10 0.00 -2.01 0.00 0.00 31.29 32.13 3k4n h VAL 546 CO -0.74 0.04 -0.47 0.18 -1.01 0.00 0.00 177.57 175.58 3k4n n LEU 547 N -4.49 -3.45 -1.12 3.16 4.77 0.10 -4.97 117.00 111.00 3k4n n LEU 547 Ca -0.02 -0.38 0.05 0.00 -0.03 0.00 0.00 56.01 55.63 3k4n n LEU 547 Cb 0.12 -2.05 0.09 0.00 -2.33 0.00 0.00 43.42 39.25 3k4n n LEU 547 CO 0.35 0.18 0.18 1.41 -1.33 0.00 0.00 177.39 178.18 3k4n n HIS 548 N -2.75 0.00 -1.95 -1.77 8.25 -1.26 -5.04 115.22 110.71 3k4n n HIS 548 Ca -0.13 -0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 56.02 3k4n n HIS 548 Cb 0.59 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.29 4.37 0.24 2.41 2.96 -1.26 -4.63 118.68 121.49 3k4n s LEU 549 Ca 0.35 2.74 0.01 0.00 -0.22 0.00 0.00 54.13 57.01 3k4n s LEU 549 Cb 0.38 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 3k4n s LEU 549 CO -0.13 -0.76 0.11 -0.83 -1.32 0.00 0.00 176.35 173.42 3k4n s GLY 550 N 0.43 1.67 0.00 7.98 0.00 0.43 -4.19 107.32 113.63 3k4n s GLY 550 Ca 0.61 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3k4n s GLY 550 CO 0.44 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.61 3k4n n GLY 551 N -0.42 0.47 0.28 0.20 0.00 -0.33 0.65 105.19 106.05 3k4n n GLY 551 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 0.30 -1.57 2.61 1.35 -1.79 -3.32 112.91 110.49 3k4n h THR 552 Ca 0.00 -0.44 -0.49 0.00 -0.55 0.00 0.00 66.41 64.93 3k4n h THR 552 Cb 0.19 1.33 -0.34 0.00 -1.73 0.00 0.00 68.15 67.60 3k4n h THR 552 CO 0.00 0.07 -0.97 0.00 -0.25 0.00 0.00 175.52 174.37 3k4n n HIS 553 N -3.37 -1.03 -2.92 4.73 1.44 -0.54 -0.08 115.22 113.45 3k4n n HIS 553 Ca -0.01 -3.16 -0.33 0.00 -2.01 0.00 0.00 57.72 52.20 3k4n n HIS 553 Cb 0.23 0.08 -0.07 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.75 4.21 0.16 -1.40 1.70 -1.21 -4.05 118.95 117.60 3k4n s ARG 554 Ca 0.34 1.01 -0.15 0.00 -0.47 0.00 0.00 55.73 56.46 3k4n s ARG 554 Cb 0.18 -2.35 -0.07 0.00 -0.57 0.00 0.00 34.95 32.14 3k4n s ARG 554 CO -0.14 0.08 0.57 1.41 -1.08 0.00 0.00 175.30 176.14 3k4n s MET 555 N -2.95 4.00 0.09 3.89 -2.45 0.46 0.68 119.30 123.03 3k4n s MET 555 Ca 0.58 0.53 -0.26 0.00 -1.25 0.00 0.00 55.69 55.28 3k4n s MET 555 Cb -0.11 -2.91 0.08 0.00 1.25 0.00 0.00 34.83 33.15 3k4n s MET 555 CO 0.16 0.46 0.93 0.20 1.05 0.00 0.00 175.02 177.81 3k4n s GLY 556 N -1.75 -0.33 0.12 2.11 0.00 -0.21 -4.49 107.32 102.77 3k4n s GLY 556 Ca 0.39 0.47 -0.15 0.00 0.00 0.00 0.00 44.72 45.43 3k4n s GLY 556 CO 0.19 0.13 1.55 0.74 0.00 0.00 0.00 173.10 175.71 3k4n h PHE 557 N 2.00 0.76 -3.99 1.90 0.04 -1.91 -3.33 116.94 112.41 3k4n h PHE 557 Ca -0.24 -0.14 -0.54 0.00 2.80 0.00 0.00 57.97 59.85 3k4n h PHE 557 Cb 1.24 -0.19 -0.31 0.00 2.20 0.00 0.00 35.95 38.89 3k4n h PHE 557 CO 0.33 0.80 -0.83 0.34 -0.60 0.00 0.00 178.31 178.35 3k4n s ASP 558 N -6.23 1.99 0.18 2.17 2.15 -1.26 -4.86 116.67 110.82 3k4n s ASP 558 Ca -0.13 -0.32 -0.12 0.00 0.43 0.00 0.00 52.55 52.42 3k4n s ASP 558 Cb 0.10 -0.47 0.10 0.00 -0.30 0.00 0.00 42.92 42.35 3k4n s ASP 558 CO 0.79 0.16 1.79 -0.08 -0.17 0.00 0.00 175.17 177.66 3k4n h GLU 559 N 6.13 0.90 0.07 4.34 4.81 -1.86 -1.71 114.58 127.26 3k4n h GLU 559 Ca -0.34 -0.11 -0.35 0.00 -0.13 0.00 0.00 59.36 58.43 3k4n h GLU 559 Cb 1.17 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3k4n h GLU 559 CO 0.48 0.69 -1.98 1.17 -0.73 0.00 0.00 179.01 178.64 3k4n n LYS 560 N -4.53 0.69 -0.13 1.92 4.81 -1.26 -1.85 118.16 117.81 3k4n n LYS 560 Ca 0.05 0.31 -0.08 0.00 -0.87 0.00 0.00 58.31 57.71 3k4n n LYS 560 Cb 0.10 -1.66 -0.00 0.00 0.02 0.00 0.00 35.03 33.48 3k4n n LYS 560 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3k4n h GLU 561 N -0.26 0.53 -0.65 1.64 5.08 -1.99 -2.62 114.58 116.30 3k4n h GLU 561 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3k4n h GLU 561 Cb 1.82 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3k4n h GLU 561 CO -0.05 0.40 0.00 -0.25 -1.00 0.00 0.00 179.01 178.11 3k4n n ASP 562 N -4.77 4.97 -3.95 1.42 8.00 -0.64 -4.99 116.55 116.59 3k4n n ASP 562 Ca 0.00 -2.54 -0.40 0.00 0.71 0.00 0.00 54.79 52.56 3k4n n ASP 562 Cb 0.05 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.57 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 1.06 -4.52 -3.77 -2.24 4.13 -0.97 -4.86 115.26 104.08 3k4n n ASN 563 Ca 0.26 -1.18 -0.15 0.00 1.68 0.00 0.00 54.58 55.19 3k4n n ASN 563 Cb 0.95 -2.02 -0.09 0.00 -1.54 0.00 0.00 39.78 37.09 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 -2.15 0.09 0.01 0.00 -7.23 -0.76 -2.83 120.40 107.54 3k4n s VAL 566 Ca -0.01 -0.20 -0.00 0.00 -1.81 0.00 0.00 61.98 59.96 3k4n s VAL 566 Cb 0.01 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.84 3k4n s VAL 566 CO 0.11 -0.07 0.01 -0.46 -0.31 0.00 0.00 175.10 174.38 3k4n n ASN 567 N 2.79 -0.90 -0.24 4.85 0.23 -0.89 -1.05 115.26 120.06 3k4n n ASN 567 Ca -0.14 -0.56 0.03 0.00 -0.53 0.00 0.00 54.58 53.37 3k4n n ASN 567 Cb 0.59 -0.01 0.09 0.00 -2.08 0.00 0.00 39.78 38.37 3k4n n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4n n THR 568 N -2.46 0.17 -0.04 5.53 -2.24 -1.26 -0.73 114.28 113.25 3k4n n THR 568 Ca 0.00 -0.18 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 3k4n n THR 568 Cb 0.01 0.08 0.17 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.13 3.01 -2.01 3.42 8.00 -1.26 -4.73 116.55 122.85 3k4n n ASP 569 Ca 0.05 -1.91 -0.21 0.00 0.71 0.00 0.00 54.79 53.43 3k4n n ASP 569 Cb 0.12 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.85 -5.72 -4.83 -2.24 7.64 0.09 -4.12 113.62 105.30 3k4n n SER 570 Ca 0.14 0.22 -0.38 0.00 1.01 0.00 0.00 58.87 59.87 3k4n n SER 570 Cb 0.46 -4.87 -0.06 0.00 -1.01 0.00 0.00 64.21 58.73 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 -4.45 3.84 0.08 1.43 3.52 -1.26 -2.07 118.95 120.03 3k4n s ARG 571 Ca 0.00 0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.53 3k4n s ARG 571 Cb 0.00 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 3k4n s ARG 571 CO 0.00 0.65 1.38 0.08 -0.81 0.00 0.00 175.30 176.61 3k4n s VAL 572 N -0.85 3.48 0.28 7.11 1.01 -0.05 -2.09 120.40 129.29 3k4n s VAL 572 Ca 0.21 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 3k4n s VAL 572 Cb -0.15 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 3k4n s VAL 572 CO 0.10 0.05 1.11 0.49 0.00 0.00 0.00 175.10 176.85 3k4n n PHE 573 N 4.40 1.54 0.00 5.22 3.72 -1.13 -1.64 117.46 129.57 3k4n n PHE 573 Ca 0.12 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 3k4n n PHE 573 Cb 0.43 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.67 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 1.30 2.77 3.82 1.37 0.00 -1.26 -4.97 105.19 108.22 3k4n n GLY 574 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.37 3.48 -0.21 1.61 0.40 -0.65 -4.11 117.98 117.13 3k4n s PHE 575 Ca 0.00 0.43 0.20 0.00 -0.60 0.00 0.00 56.93 56.95 3k4n s PHE 575 Cb 0.00 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 3k4n s PHE 575 CO 0.00 0.62 1.06 -0.22 0.70 0.00 0.00 175.22 177.39 3k4n h LYS 576 N 5.23 0.00 0.00 0.44 3.11 -0.87 -3.40 116.57 121.08 3k4n h LYS 576 Ca -0.52 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 3k4n h LYS 576 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 3k4n h LYS 576 CO 0.59 0.15 -0.48 0.27 -2.81 0.00 0.00 179.45 177.17 3k4n n ASN 577 N -2.85 0.00 -4.32 4.20 6.94 -1.26 -5.06 115.26 112.91 3k4n n ASN 577 Ca -0.03 -1.95 -0.35 0.00 -0.02 0.00 0.00 54.58 52.22 3k4n n ASN 577 Cb 0.67 -0.19 -0.14 0.00 -2.36 0.00 0.00 39.78 37.76 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 0.00 3.05 0.31 -4.53 2.96 -1.26 -1.91 118.68 117.30 3k4n s LEU 578 Ca 0.00 -0.42 0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3k4n s LEU 578 Cb 0.00 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 3k4n s LEU 578 CO 0.00 -0.04 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.48 3k4n s PHE 579 N 1.49 2.33 -0.13 5.38 0.40 -0.31 -0.87 117.98 126.28 3k4n s PHE 579 Ca 0.05 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3k4n s PHE 579 Cb -0.15 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.26 3k4n s PHE 579 CO -0.02 0.65 0.29 -0.51 0.70 0.00 0.00 175.22 176.33 3k4n s LEU 580 N -3.55 0.18 0.08 -0.37 1.43 -0.88 -1.33 118.68 114.24 3k4n s LEU 580 Ca 0.31 0.64 0.07 0.00 -1.03 0.00 0.00 54.13 54.12 3k4n s LEU 580 Cb -0.01 0.90 -0.03 0.00 0.03 0.00 0.00 46.19 47.08 3k4n s LEU 580 CO 0.16 -0.18 -0.19 -0.83 0.23 0.00 0.00 176.35 175.53 3k4n s GLY 581 N 1.46 1.14 0.00 -3.19 0.00 -0.23 -4.80 107.32 101.70 3k4n s GLY 581 Ca -0.08 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3k4n s GLY 581 CO -0.10 -1.15 0.00 0.61 0.00 0.00 0.00 173.10 172.46 3k4n n GLY 582 N 1.28 1.15 0.33 0.20 0.00 -1.26 -4.29 105.19 102.59 3k4n n GLY 582 Ca -0.19 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.04 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 0.68 0.00 2.00 0.00 0.00 -1.90 0.28 103.07 104.14 3k4n h GLY 584 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 3k4n h GLY 584 CO -0.06 0.00 -0.62 3.43 0.00 0.00 0.00 176.54 179.29 3k4n h ASN 585 N 0.00 0.00 -2.62 0.19 2.35 -1.27 -1.38 115.58 112.85 3k4n h ASN 585 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 3k4n h ASN 585 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3k4n h ASN 585 CO 0.00 0.62 1.09 -0.63 -1.65 0.00 0.00 177.43 176.86 3k4n s ILE 586 N -3.47 3.61 -0.78 2.81 1.01 0.09 -0.40 121.20 124.05 3k4n s ILE 586 Ca -0.01 0.73 0.23 0.00 0.00 0.00 0.00 60.65 61.61 3k4n s ILE 586 Cb 0.12 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 3k4n s ILE 586 CO 0.76 -0.07 1.14 -0.81 0.00 0.00 0.00 174.94 175.96 3k4n n PRO 587 N 7.15 0.16 -2.47 2.79 -0.04 -1.26 -1.18 135.00 140.15 3k4n n PRO 587 Ca 0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.39 3k4n n PRO 587 Cb 0.43 -1.56 0.13 0.00 -0.04 0.00 0.00 33.50 32.46 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 -3.11 2.08 -0.41 0.52 -4.23 -1.26 -4.71 115.64 104.52 3k4n s THR 588 Ca 0.07 -0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 59.91 3k4n s THR 588 Cb 0.15 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3k4n s THR 588 CO 0.78 0.00 0.52 0.00 -0.54 0.00 0.00 174.62 175.37 3k4n s ALA 589 N -3.30 3.41 0.03 3.99 0.00 -1.26 -4.76 121.76 119.88 3k4n s ALA 589 Ca 0.68 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3k4n s ALA 589 Cb -0.05 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3k4n s ALA 589 CO 0.46 -1.55 -0.11 1.52 0.00 0.00 0.00 175.76 176.08 3k4n s TYR 590 N 2.41 0.97 -0.14 0.00 1.13 -1.26 -4.52 117.35 115.93 3k4n s TYR 590 Ca 0.17 -0.35 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 3k4n s TYR 590 Cb -0.16 -0.58 -0.10 0.00 -1.10 0.00 0.00 41.96 40.03 3k4n s TYR 590 CO 0.15 -0.00 -0.12 0.41 -2.51 0.00 0.00 175.55 173.48 3k4n n GLY 591 N 1.93 -0.22 3.57 5.49 0.00 -1.26 -4.29 105.19 110.41 3k4n n GLY 591 Ca -0.19 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3k4n n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4n n ALA 592 N -2.89 -1.84 -2.05 4.61 0.00 -1.26 -4.54 120.51 112.54 3k4n n ALA 592 Ca -0.25 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 51.93 3k4n n ALA 592 Cb 0.78 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3k4n n ALA 592 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k4n s ASN 593 N -2.50 6.78 0.40 0.00 -0.87 -1.26 -4.93 114.94 112.55 3k4n s ASN 593 Ca 0.67 2.44 0.21 0.00 -1.57 0.00 0.00 52.86 54.61 3k4n s ASN 593 Cb -0.24 -2.60 0.29 0.00 -0.02 0.00 0.00 41.25 38.68 3k4n s ASN 593 CO 0.62 -0.66 1.57 1.55 -2.57 0.00 0.00 177.10 177.61 3k4n h PRO 594 N 6.23 0.00 -0.98 -0.60 0.13 -1.90 -3.42 132.00 131.47 3k4n h PRO 594 Ca -0.43 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3k4n h PRO 594 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3k4n h PRO 594 CO 0.84 0.14 0.63 1.15 -0.23 0.00 0.00 178.00 180.54 3k4n h THR 595 N 0.00 1.25 -0.75 1.56 2.02 -1.92 -0.30 112.91 114.77 3k4n h THR 595 Ca -0.00 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.75 3k4n h THR 595 Cb 1.10 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3k4n h THR 595 CO 0.02 0.25 0.50 0.25 0.37 0.00 0.00 175.52 176.90 3k4n h LEU 596 N 1.33 0.75 -0.19 2.58 5.85 -1.86 0.10 115.31 123.87 3k4n h LEU 596 Ca 0.36 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.86 3k4n h LEU 596 Cb -0.13 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.74 3k4n h LEU 596 CO -0.07 0.50 -0.71 0.74 -0.34 0.00 0.00 178.44 178.56 3k4n h THR 597 N 0.86 1.28 -0.27 1.05 2.02 -1.38 -1.39 112.91 115.08 3k4n h THR 597 Ca 0.31 -1.90 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 3k4n h THR 597 Cb 0.15 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3k4n h THR 597 CO -0.10 0.61 0.10 0.00 0.37 0.00 0.00 175.52 176.49 3k4n h ALA 598 N 0.58 1.67 0.59 6.16 0.00 -0.51 -1.65 119.26 126.10 3k4n h ALA 598 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3k4n h ALA 598 Cb 1.34 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3k4n h ALA 598 CO 0.15 0.26 -0.28 1.98 0.00 0.00 0.00 179.25 181.35 3k4n h MET 599 N 0.37 -0.76 -0.87 0.00 -1.53 -0.78 -1.85 114.93 109.50 3k4n h MET 599 Ca 0.09 0.05 0.15 0.00 -3.44 0.00 0.00 59.70 56.56 3k4n h MET 599 Cb 0.10 0.17 -0.15 0.00 -0.55 0.00 0.00 31.60 31.17 3k4n h MET 599 CO -0.01 -0.51 -0.29 0.43 0.14 0.00 0.00 176.91 176.67 3k4n n SER 600 N -4.95 -0.46 -0.32 1.39 7.64 -0.54 0.15 113.62 116.52 3k4n n SER 600 Ca -0.10 1.51 -0.04 0.00 1.01 0.00 0.00 58.87 61.25 3k4n n SER 600 Cb 0.31 -0.39 0.08 0.00 -1.01 0.00 0.00 64.21 63.21 3k4n n SER 600 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3k4n h LEU 601 N 0.00 1.04 -0.73 -3.43 3.38 -1.27 -3.03 115.31 111.26 3k4n h LEU 601 Ca 0.35 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3k4n h LEU 601 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3k4n h LEU 601 CO -0.88 0.78 0.33 0.00 0.09 0.00 0.00 178.44 178.77 3k4n h ALA 602 N 1.30 0.94 -0.63 1.53 0.00 0.22 -1.09 119.26 121.53 3k4n h ALA 602 Ca 0.32 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3k4n h ALA 602 Cb -0.08 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 17.33 3k4n h ALA 602 CO -0.06 0.52 0.07 0.82 0.00 0.00 0.00 179.25 180.60 3k4n h ILE 603 N 1.03 0.53 -0.42 0.00 2.04 -0.98 0.24 117.51 119.95 3k4n h ILE 603 Ca 0.25 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3k4n h ILE 603 Cb 0.15 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3k4n h ILE 603 CO -0.03 0.03 0.14 0.50 0.00 0.00 0.00 178.15 178.79 3k4n h LYS 604 N 0.18 0.65 -0.90 2.37 3.64 -1.19 0.59 116.57 121.90 3k4n h LYS 604 Ca 0.34 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 3k4n h LYS 604 Cb 0.55 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 3k4n h LYS 604 CO -0.49 0.63 0.58 1.03 -2.27 0.00 0.00 179.45 178.93 3k4n h SER 605 N 0.53 0.73 0.07 4.20 0.87 -0.86 -2.01 113.55 117.09 3k4n h SER 605 Ca 0.14 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 3k4n h SER 605 Cb 0.25 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3k4n h SER 605 CO -0.01 0.39 -0.32 0.00 -0.53 0.00 0.00 176.83 176.36 3k4n h GLU 607 N 0.32 -0.91 -0.96 0.00 5.08 -0.39 -1.78 114.58 115.94 3k4n h GLU 607 Ca 0.04 0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.76 3k4n h GLU 607 Cb 0.73 0.21 -0.17 0.00 0.50 0.00 0.00 28.75 30.02 3k4n h GLU 607 CO 0.06 -0.61 0.23 -0.92 -1.00 0.00 0.00 179.01 176.77 3k4n h TYR 608 N -0.96 0.32 -0.40 4.33 5.03 -1.33 -0.00 116.97 123.96 3k4n h TYR 608 Ca -0.10 0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.20 3k4n h TYR 608 Cb 0.73 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 3k4n h TYR 608 CO -0.02 -0.36 -0.03 0.82 -1.32 0.00 0.00 178.16 177.25 3k4n h ILE 609 N 0.09 1.27 0.00 1.81 2.04 -1.06 -1.57 117.51 120.08 3k4n h ILE 609 Ca 0.64 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3k4n h ILE 609 Cb 1.43 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3k4n h ILE 609 CO -0.79 0.36 0.00 0.29 0.00 0.00 0.00 178.15 178.01 3k4n n LYS 610 N -4.42 0.14 0.00 2.37 5.02 -0.08 -1.65 118.16 119.55 3k4n n LYS 610 Ca -0.01 0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.46 3k4n n LYS 610 Cb 0.31 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3k4n n LYS 610 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3k4n n GLN 611 N -1.39 3.02 0.00 1.97 6.02 -0.82 -4.64 117.38 121.54 3k4n n GLN 611 Ca 0.07 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3k4n n GLN 611 Cb 0.19 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.46 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 -0.67 0.53 -4.20 1.08 3.02 -0.63 -5.05 115.26 109.33 3k4n n ASN 612 Ca 0.03 -0.26 -0.26 0.00 -0.03 0.00 0.00 54.58 54.05 3k4n n ASN 612 Cb 0.16 0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.73 1.77 -0.14 3.10 0.08 -0.66 -5.09 117.98 116.31 3k4n s PHE 613 Ca 0.00 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 3k4n s PHE 613 Cb 0.00 -1.14 -0.05 0.00 -0.57 0.00 0.00 43.02 41.26 3k4n s PHE 613 CO 0.00 -0.04 0.20 0.99 -0.10 0.00 0.00 175.22 176.27 3k4n s THR 614 N -0.44 5.39 0.38 0.64 2.01 -1.26 -4.67 115.64 117.69 3k4n s THR 614 Ca 0.07 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.13 3k4n s THR 614 Cb -0.08 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 3k4n s THR 614 CO -0.01 0.52 1.39 -2.84 -0.69 0.00 0.00 174.62 173.00 3k4n s PRO 615 N -0.38 4.09 0.73 4.92 0.02 -1.26 -5.02 135.00 138.11 3k4n s PRO 615 Ca 0.14 2.37 -0.11 0.00 0.02 0.00 0.00 61.00 63.42 3k4n s PRO 615 Cb -0.12 -2.92 0.03 0.00 0.02 0.00 0.00 34.50 31.51 3k4n s PRO 615 CO 0.03 -0.47 1.07 -1.54 -0.33 0.00 0.00 177.00 175.77 3k4n s SER 616 N -0.40 5.06 0.35 2.53 1.04 -1.26 -5.00 113.70 116.02 3k4n s SER 616 Ca 0.54 1.49 -0.10 0.00 0.48 0.00 0.00 55.95 58.35 3k4n s SER 616 Cb -0.43 -2.31 -0.07 0.00 0.10 0.00 0.00 66.02 63.32 3k4n s SER 616 CO 0.57 -1.63 0.70 -2.16 0.98 0.00 0.00 173.24 171.69 3k4n s PRO 617 N -5.09 3.78 0.00 4.02 0.04 -1.26 -4.84 135.00 131.64 3k4n s PRO 617 Ca 0.59 0.38 0.01 0.00 0.04 0.00 0.00 61.00 62.02 3k4n s PRO 617 Cb -0.14 -2.48 0.07 0.00 0.04 0.00 0.00 34.50 31.99 3k4n s PRO 617 CO 0.55 0.08 0.56 0.34 0.04 0.00 0.00 177.00 178.57