#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m s TYR 47 N 0.00 2.62 -0.02 5.64 1.51 -0.67 -5.03 117.35 121.40 3k4m s TYR 47 Ca 0.00 -0.23 -0.24 0.00 -1.01 0.00 0.00 57.07 55.58 3k4m s TYR 47 Cb 0.00 -1.22 -0.20 0.00 -0.11 0.00 0.00 41.96 40.43 3k4m s TYR 47 CO 0.00 0.57 1.19 -0.44 -1.11 0.00 0.00 175.55 175.77 3k4m h ASP 48 N 2.48 0.16 -3.62 2.29 3.32 -1.18 -2.95 116.42 116.92 3k4m h ASP 48 Ca -0.45 -0.59 -0.40 0.00 0.02 0.00 0.00 57.03 55.61 3k4m h ASP 48 Cb 1.23 -0.05 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 3k4m h ASP 48 CO 0.57 0.72 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.35 3k4m s VAL 49 N -3.84 0.56 -0.03 -1.35 1.01 -0.44 -1.03 120.40 115.28 3k4m s VAL 49 Ca -0.16 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3k4m s VAL 49 Cb 0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3k4m s VAL 49 CO 0.71 0.21 -0.22 0.68 0.00 0.00 0.00 175.10 176.48 3k4m s VAL 50 N 0.56 2.36 -0.14 2.92 -7.23 -0.16 0.27 120.40 118.97 3k4m s VAL 50 Ca -0.07 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 3k4m s VAL 50 Cb -0.11 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 34.99 3k4m s VAL 50 CO 0.00 0.58 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.54 3k4m s ILE 51 N -0.58 1.93 -0.34 -0.62 1.01 0.60 -0.82 121.20 122.38 3k4m s ILE 51 Ca 0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 3k4m s ILE 51 Cb -0.11 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3k4m s ILE 51 CO 0.00 0.52 0.54 -0.69 0.00 0.00 0.00 174.94 175.32 3k4m s VAL 52 N 0.95 4.99 0.00 2.92 1.01 0.24 -1.78 120.40 128.73 3k4m s VAL 52 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3k4m s VAL 52 Cb -0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3k4m s VAL 52 CO -0.04 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3k4m n GLY 53 N 4.71 2.41 0.88 4.51 0.00 0.01 0.52 105.19 118.23 3k4m n GLY 53 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3k4m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4m n SER 54 N 0.00 2.25 -2.93 1.61 3.41 -1.26 -4.37 113.62 112.34 3k4m n SER 54 Ca 0.00 -3.87 0.00 0.00 -0.26 0.00 0.00 58.87 54.74 3k4m n SER 54 Cb 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3k4m n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4m n GLY 55 N -1.08 -2.71 0.25 5.00 0.00 -1.26 -2.61 105.19 102.78 3k4m n GLY 55 Ca 0.25 -1.37 0.16 0.00 0.00 0.00 0.00 46.02 45.06 3k4m n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m h PRO 56 N 0.00 0.00 0.11 1.61 0.13 -1.93 -2.49 132.00 129.44 3k4m h PRO 56 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 3k4m h PRO 56 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3k4m h PRO 56 CO 0.00 0.00 -1.31 0.82 -0.23 0.00 0.00 178.00 177.28 3k4m h ILE 57 N 0.00 1.10 -0.86 -3.56 1.08 -1.90 -1.44 117.51 111.93 3k4m h ILE 57 Ca 0.00 -2.41 0.07 0.00 -0.39 0.00 0.00 64.86 62.13 3k4m h ILE 57 Cb 0.54 2.77 -0.06 0.00 -3.07 0.00 0.00 36.82 37.01 3k4m h ILE 57 CO 0.00 0.69 0.56 1.23 -0.69 0.00 0.00 178.15 179.94 3k4m h GLY 58 N -0.04 1.22 2.00 5.37 0.00 -1.76 -1.17 103.07 108.69 3k4m h GLY 58 Ca -0.28 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 3k4m h GLY 58 CO 0.06 0.28 -0.33 0.00 0.00 0.00 0.00 176.54 176.55 3k4m h THR 60 N 0.00 0.53 -0.94 0.00 2.02 -0.11 -0.22 112.91 114.18 3k4m h THR 60 Ca -0.00 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.02 3k4m h THR 60 Cb 0.86 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3k4m h THR 60 CO 0.04 0.04 0.61 1.88 0.37 0.00 0.00 175.52 178.46 3k4m h TYR 61 N -0.75 1.10 0.65 3.16 0.05 -1.03 -0.15 116.97 120.00 3k4m h TYR 61 Ca -0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 3k4m h TYR 61 Cb 0.54 -0.36 0.01 0.00 1.01 0.00 0.00 36.73 37.92 3k4m h TYR 61 CO -0.01 0.58 -0.31 0.00 -1.05 0.00 0.00 178.16 177.36 3k4m h ALA 62 N 1.49 -0.88 -0.55 3.88 0.00 -0.94 -0.20 119.26 122.06 3k4m h ALA 62 Ca 0.41 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.21 3k4m h ALA 62 Cb 0.19 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 3k4m h ALA 62 CO -0.16 -0.90 -0.29 -0.09 0.00 0.00 0.00 179.25 177.82 3k4m h ARG 63 N -1.07 -0.14 -0.88 0.00 2.43 -0.83 0.74 114.38 114.63 3k4m h ARG 63 Ca -0.09 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3k4m h ARG 63 Cb 0.71 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 3k4m h ARG 63 CO 0.15 -0.09 0.57 0.93 -1.51 0.00 0.00 179.97 180.01 3k4m h GLU 64 N -0.15 1.06 0.01 0.20 4.39 -0.99 -2.64 114.58 116.47 3k4m h GLU 64 Ca 0.23 -0.06 -0.40 0.00 0.34 0.00 0.00 59.36 59.47 3k4m h GLU 64 Cb 0.53 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 3k4m h GLU 64 CO -0.64 0.70 -2.43 1.28 -1.16 0.00 0.00 179.01 176.77 3k4m n LEU 65 N -4.54 2.68 -0.26 1.33 4.77 -0.09 -3.07 117.00 117.82 3k4m n LEU 65 Ca 0.11 0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.28 3k4m n LEU 65 Cb 0.10 -0.91 0.45 0.00 -2.33 0.00 0.00 43.42 40.74 3k4m n LEU 65 CO 0.34 0.83 1.22 0.58 -1.33 0.00 0.00 177.39 179.02 3k4m h VAL 66 N -0.26 0.73 0.00 4.08 2.07 0.32 -2.02 116.25 121.16 3k4m h VAL 66 Ca -0.59 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3k4m h VAL 66 Cb 1.83 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3k4m h VAL 66 CO -0.16 0.10 0.00 1.23 0.02 0.00 0.00 177.57 178.76 3k4m h GLY 67 N 0.53 0.00 -1.50 2.17 0.00 -1.55 -2.53 103.07 100.19 3k4m h GLY 67 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3k4m h GLY 67 CO -0.21 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.33 3k4m n ALA 68 N -2.08 2.48 0.00 3.60 0.00 -1.06 -4.95 120.51 118.49 3k4m n ALA 68 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3k4m n ALA 68 Cb 0.50 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3k4m n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 69 N 1.31 1.02 3.84 0.00 0.00 -0.95 -4.88 105.19 105.52 3k4m n GLY 69 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3k4m n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4m s TYR 70 N -2.00 3.35 -0.41 1.61 1.51 -0.79 -4.62 117.35 116.01 3k4m s TYR 70 Ca 0.00 1.36 -0.21 0.00 -1.01 0.00 0.00 57.07 57.21 3k4m s TYR 70 Cb 0.00 -2.65 0.02 0.00 -0.11 0.00 0.00 41.96 39.21 3k4m s TYR 70 CO 0.00 0.01 0.66 0.21 -1.11 0.00 0.00 175.55 175.31 3k4m s LYS 71 N -3.09 3.46 -0.13 -0.62 2.20 -1.26 -4.21 119.74 116.08 3k4m s LYS 71 Ca 0.57 -0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 56.01 3k4m s LYS 71 Cb -0.10 -3.89 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 3k4m s LYS 71 CO 0.16 -0.91 -0.12 0.08 -0.36 0.00 0.00 175.35 174.20 3k4m s VAL 72 N 2.83 3.17 -0.13 4.02 1.01 -0.49 -0.62 120.40 130.19 3k4m s VAL 72 Ca 0.24 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 3k4m s VAL 72 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3k4m s VAL 72 CO 0.18 0.52 0.07 0.00 0.00 0.00 0.00 175.10 175.87 3k4m s ALA 73 N 0.28 3.53 -0.05 5.51 0.00 0.14 -2.15 121.76 129.02 3k4m s ALA 73 Ca -0.09 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3k4m s ALA 73 Cb -0.15 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.17 3k4m s ALA 73 CO 0.05 0.45 -0.13 1.41 0.00 0.00 0.00 175.76 177.54 3k4m s MET 74 N -0.47 1.59 -0.05 0.00 1.75 0.21 -0.29 119.30 122.03 3k4m s MET 74 Ca 0.10 -0.43 0.05 0.00 -1.25 0.00 0.00 55.69 54.15 3k4m s MET 74 Cb -0.12 -1.35 -0.02 0.00 2.84 0.00 0.00 34.83 36.18 3k4m s MET 74 CO 0.02 0.09 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.23 3k4m s PHE 75 N 0.45 2.59 -0.05 4.11 0.08 -0.73 0.59 117.98 125.03 3k4m s PHE 75 Ca -0.10 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.63 3k4m s PHE 75 Cb -0.14 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3k4m s PHE 75 CO 0.03 0.05 -0.13 0.34 -0.10 0.00 0.00 175.22 175.41 3k4m s ASP 76 N -0.53 1.72 0.60 1.36 -1.08 -0.94 -0.80 116.67 116.99 3k4m s ASP 76 Ca 0.07 -0.28 0.29 0.00 -0.52 0.00 0.00 52.55 52.11 3k4m s ASP 76 Cb -0.11 -0.64 1.61 0.00 -1.46 0.00 0.00 42.92 42.33 3k4m s ASP 76 CO 0.01 0.07 2.03 -0.29 0.52 0.00 0.00 175.17 177.51 3k4m h ILE 77 N 5.65 0.38 -4.16 4.11 2.10 -1.65 0.10 117.51 124.04 3k4m h ILE 77 Ca -0.32 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.57 3k4m h ILE 77 Cb 1.18 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 3k4m h ILE 77 CO 0.48 0.00 -0.00 0.61 -1.08 0.00 0.00 178.15 178.15 3k4m n GLY 78 N -1.41 1.81 3.47 8.18 0.00 -1.26 -4.12 105.19 111.87 3k4m n GLY 78 Ca 0.03 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 3k4m n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 79 N -2.28 1.95 -0.12 1.61 2.02 -1.26 -0.47 118.70 120.15 3k4m s GLU 79 Ca 0.06 -2.19 -0.20 0.00 0.02 0.00 0.00 54.97 52.66 3k4m s GLU 79 Cb -0.00 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.83 3k4m s GLU 79 CO 0.04 -0.57 0.54 0.42 0.02 0.00 0.00 175.26 175.71 3k4m s ILE 80 N -3.22 5.14 0.00 -1.63 1.01 -1.26 -1.45 121.20 119.78 3k4m s ILE 80 Ca 0.26 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.99 3k4m s ILE 80 Cb 0.01 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3k4m s ILE 80 CO 0.18 0.28 0.00 -0.90 0.00 0.00 0.00 174.94 174.50 3k4m n ASP 81 N 3.90 0.00 -1.98 3.58 5.75 -1.26 -4.97 116.55 121.57 3k4m n ASP 81 Ca -0.05 -0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.56 3k4m n ASP 81 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3k4m n ASP 81 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3k4m n SER 82 N 0.00 6.28 0.00 -1.12 3.41 -1.26 -5.06 113.62 115.87 3k4m n SER 82 Ca 0.00 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 3k4m n SER 82 Cb 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 3k4m n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4m n GLY 83 N 0.71 -2.18 0.25 5.00 0.00 -1.26 -4.51 105.19 103.20 3k4m n GLY 83 Ca 0.31 -1.85 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3k4m n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4m h LEU 84 N 0.00 0.00 -8.72 0.99 3.38 -2.03 -3.39 115.31 105.54 3k4m h LEU 84 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3k4m h LEU 84 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 3k4m h LEU 84 CO 0.00 0.01 0.48 -0.54 0.09 0.00 0.00 178.44 178.48 3k4m s LYS 85 N -3.48 3.60 0.05 1.13 1.02 -1.26 -5.02 119.74 115.79 3k4m s LYS 85 Ca 0.03 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 3k4m s LYS 85 Cb 0.07 -3.88 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 3k4m s LYS 85 CO 0.60 -1.07 0.94 0.42 -0.92 0.00 0.00 175.35 175.32 3k4m s ILE 86 N 3.44 4.70 -0.37 2.17 1.01 -1.26 -2.99 121.20 127.90 3k4m s ILE 86 Ca 0.34 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.99 3k4m s ILE 86 Cb -0.12 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3k4m s ILE 86 CO 0.22 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3k4m n GLY 87 N 2.57 0.65 3.95 6.18 0.00 -1.26 -4.27 105.19 113.01 3k4m n GLY 87 Ca 0.03 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 3k4m n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 88 N -2.12 3.49 -0.01 4.61 0.00 -1.16 -2.49 121.76 124.08 3k4m s ALA 88 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 3k4m s ALA 88 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3k4m s ALA 88 CO 0.00 -0.99 1.42 -1.58 0.00 0.00 0.00 175.76 174.61 3k4m s HIS 89 N -3.00 2.78 -1.34 0.00 2.46 -1.26 -4.49 115.29 110.44 3k4m s HIS 89 Ca 0.58 0.77 0.26 0.00 0.47 0.00 0.00 55.06 57.14 3k4m s HIS 89 Cb -0.11 -3.68 1.26 0.00 -0.13 0.00 0.00 32.58 29.92 3k4m s HIS 89 CO 0.42 -2.54 1.86 1.63 -2.47 0.00 0.00 174.74 173.64 3k4m n LYS 90 N 5.54 0.29 0.04 2.88 5.02 -0.45 -2.20 118.16 129.28 3k4m n LYS 90 Ca 0.13 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 3k4m n LYS 90 Cb 0.44 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.40 3k4m n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4m n LYS 91 N -1.33 0.12 -0.67 1.97 4.81 -1.26 -4.23 118.16 117.58 3k4m n LYS 91 Ca 0.11 0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.54 3k4m n LYS 91 Cb 0.22 -1.63 0.03 0.00 0.02 0.00 0.00 35.03 33.67 3k4m n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4m n ASN 92 N -1.84 5.50 -4.70 3.14 3.02 -0.94 -4.17 115.26 115.29 3k4m n ASN 92 Ca 0.06 -2.74 -0.24 0.00 -0.03 0.00 0.00 54.58 51.62 3k4m n ASN 92 Cb 0.38 -0.99 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 3k4m n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4m s THR 93 N -1.31 3.82 0.20 3.41 -4.23 -1.26 -5.00 115.64 111.27 3k4m s THR 93 Ca 0.18 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 3k4m s THR 93 Cb 0.15 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 71.12 3k4m s THR 93 CO 0.00 -0.25 1.73 0.58 -0.54 0.00 0.00 174.62 176.15 3k4m h VAL 94 N 2.05 1.26 -0.51 2.29 2.07 -1.98 -1.24 116.25 120.20 3k4m h VAL 94 Ca -0.46 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 3k4m h VAL 94 Cb 1.23 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3k4m h VAL 94 CO 0.60 0.37 0.31 -0.08 0.02 0.00 0.00 177.57 178.78 3k4m h GLU 95 N 1.10 0.70 -0.34 1.57 4.57 -1.95 -1.16 114.58 119.06 3k4m h GLU 95 Ca 0.23 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 3k4m h GLU 95 Cb 0.34 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3k4m h GLU 95 CO -0.00 0.51 -0.41 1.88 -1.18 0.00 0.00 179.01 179.81 3k4m h TYR 96 N 0.68 1.07 0.00 0.92 0.05 -1.81 -1.98 116.97 115.91 3k4m h TYR 96 Ca 0.18 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.63 3k4m h TYR 96 Cb -0.00 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.52 3k4m h TYR 96 CO -0.03 1.15 0.00 1.96 -1.05 0.00 0.00 178.16 180.20 3k4m h GLN 97 N 0.68 0.00 0.00 4.88 1.08 -0.89 0.09 115.11 120.95 3k4m h GLN 97 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3k4m h GLN 97 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 3k4m h GLN 97 CO 0.10 0.00 -0.67 0.87 -0.95 0.00 0.00 178.83 178.18 3k4m h LYS 98 N 0.00 0.00 -1.46 1.46 1.57 -0.98 -3.39 116.57 113.76 3k4m h LYS 98 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 3k4m h LYS 98 Cb 0.23 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.16 3k4m h LYS 98 CO 0.00 0.00 -1.14 0.09 -0.57 0.00 0.00 179.45 177.83 3k4m n ASN 99 N -2.53 0.87 0.18 0.86 3.02 -0.18 -4.95 115.26 112.52 3k4m n ASN 99 Ca 0.02 -2.90 0.14 0.00 -0.03 0.00 0.00 54.58 51.81 3k4m n ASN 99 Cb 0.50 -0.43 0.57 0.00 -0.61 0.00 0.00 39.78 39.81 3k4m n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4m h ILE 100 N 1.92 0.00 0.00 2.41 2.10 -1.27 -1.61 117.51 121.06 3k4m h ILE 100 Ca -0.00 -0.28 -0.07 0.00 1.08 0.00 0.00 64.86 65.58 3k4m h ILE 100 Cb 1.07 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.87 3k4m h ILE 100 CO 0.47 0.00 -0.34 0.44 -1.08 0.00 0.00 178.15 177.63 3k4m h ASP 101 N 0.00 0.00 0.42 2.19 3.32 -1.86 -2.93 116.42 117.57 3k4m h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k4m h ASP 101 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3k4m h ASP 101 CO 0.00 0.34 0.00 0.11 -1.72 0.00 0.00 179.24 177.97 3k4m h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.58 -3.01 116.57 117.33 3k4m h LYS 102 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3k4m h LYS 102 Cb 0.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 3k4m h LYS 102 CO 0.04 0.00 -0.04 0.35 -1.08 0.00 0.00 179.45 178.72 3k4m h PHE 103 N 0.00 0.00 -0.90 -1.35 3.57 -1.66 -2.68 116.94 113.91 3k4m h PHE 103 Ca 0.00 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 3k4m h PHE 103 Cb 0.21 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.82 3k4m h PHE 103 CO 0.00 0.04 0.40 0.28 -2.23 0.00 0.00 178.31 176.80 3k4m h VAL 104 N 0.00 0.46 -0.67 1.41 2.07 -1.74 -0.28 116.25 117.50 3k4m h VAL 104 Ca -0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3k4m h VAL 104 Cb 0.45 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3k4m h VAL 104 CO 0.01 0.07 0.21 0.78 0.02 0.00 0.00 177.57 178.66 3k4m h ASN 105 N 0.39 0.97 -0.26 0.57 4.21 -1.73 -0.24 115.58 119.49 3k4m h ASN 105 Ca 0.57 -0.21 0.04 0.00 1.21 0.00 0.00 56.30 57.91 3k4m h ASN 105 Cb 1.10 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 38.01 3k4m h ASN 105 CO -0.54 0.92 0.04 0.58 -1.29 0.00 0.00 177.43 177.15 3k4m h VAL 106 N 0.97 0.87 0.55 2.81 2.07 -1.19 -0.12 116.25 122.21 3k4m h VAL 106 Ca 0.22 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3k4m h VAL 106 Cb 0.29 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3k4m h VAL 106 CO -0.01 0.03 -0.35 0.40 0.02 0.00 0.00 177.57 177.66 3k4m h ILE 107 N 0.14 0.28 -0.93 4.57 2.04 -0.90 -2.26 117.51 120.45 3k4m h ILE 107 Ca 0.12 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.17 3k4m h ILE 107 Cb 0.13 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 3k4m h ILE 107 CO -0.17 0.00 0.60 1.56 0.00 0.00 0.00 178.15 180.14 3k4m h GLN 108 N -0.86 0.56 0.00 2.37 4.20 -0.95 -1.78 115.11 118.66 3k4m h GLN 108 Ca -0.06 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3k4m h GLN 108 Cb 0.70 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3k4m h GLN 108 CO 0.06 0.37 0.00 0.41 -0.67 0.00 0.00 178.83 179.00 3k4m n GLY 109 N -1.44 -1.18 0.41 3.46 0.00 -0.07 -3.02 105.19 103.35 3k4m n GLY 109 Ca 0.20 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.35 3k4m n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLN 110 N -2.08 0.86 -3.65 1.61 10.64 -0.69 -4.94 117.38 119.13 3k4m n GLN 110 Ca 0.02 -2.21 -0.39 0.00 -1.83 0.00 0.00 57.00 52.59 3k4m n GLN 110 Cb 0.20 -1.10 -0.11 0.00 -0.86 0.00 0.00 30.24 28.37 3k4m n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4m s LEU 111 N -1.87 4.98 -0.29 2.61 1.43 -1.07 -3.91 118.68 120.56 3k4m s LEU 111 Ca 0.24 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 51.80 3k4m s LEU 111 Cb 0.23 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3k4m s LEU 111 CO -0.01 -0.49 0.10 -0.04 0.23 0.00 0.00 176.35 176.14 3k4m s MET 112 N 1.40 3.36 0.27 1.70 -1.94 0.06 -4.82 119.30 119.34 3k4m s MET 112 Ca 0.02 -0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 53.03 3k4m s MET 112 Cb -0.22 -3.43 -0.14 0.00 2.01 0.00 0.00 34.83 33.05 3k4m s MET 112 CO 0.02 -0.35 1.05 0.43 -0.01 0.00 0.00 175.02 176.16 3k4m n SER 113 N 4.93 1.36 -0.02 3.03 7.64 -1.26 -0.97 113.62 128.33 3k4m n SER 113 Ca -0.15 1.17 -0.16 0.00 1.01 0.00 0.00 58.87 60.74 3k4m n SER 113 Cb 0.49 -1.28 -0.10 0.00 -1.01 0.00 0.00 64.21 62.31 3k4m n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4m h VAL 114 N 2.13 1.45 -2.04 0.44 2.07 -1.64 -3.45 116.25 115.21 3k4m h VAL 114 Ca -0.40 -1.93 -0.19 0.00 0.82 0.00 0.00 66.70 65.00 3k4m h VAL 114 Cb 1.34 2.53 -0.31 0.00 -1.52 0.00 0.00 31.29 33.33 3k4m h VAL 114 CO 0.63 0.55 -0.52 -0.55 0.02 0.00 0.00 177.57 177.70 3k4m s SER 115 N -6.54 0.53 -0.26 0.57 0.15 -1.26 -4.65 113.70 102.24 3k4m s SER 115 Ca -0.14 0.10 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 3k4m s SER 115 Cb 0.03 0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 65.25 3k4m s SER 115 CO 0.79 -0.31 0.08 -0.69 1.20 0.00 0.00 173.24 174.31 3k4m s VAL 116 N 2.49 4.34 0.85 4.45 1.01 -1.26 -4.76 120.40 127.51 3k4m s VAL 116 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 3k4m s VAL 116 Cb -0.15 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.27 3k4m s VAL 116 CO -0.15 0.30 1.09 -2.16 0.00 0.00 0.00 175.10 174.18 3k4m s PRO 117 N 1.61 1.66 0.27 2.72 0.04 -1.26 0.12 135.00 140.16 3k4m s PRO 117 Ca 0.06 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 3k4m s PRO 117 Cb -0.15 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 3k4m s PRO 117 CO 0.04 -2.00 1.45 0.28 0.04 0.00 0.00 177.00 176.80 3k4m n VAL 118 N -3.74 1.14 -3.07 -0.36 0.31 -1.26 -4.59 118.33 106.76 3k4m n VAL 118 Ca 0.08 -0.28 -0.39 0.00 -0.01 0.00 0.00 64.34 63.73 3k4m n VAL 118 Cb 0.54 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.78 3k4m n VAL 118 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3k4m s ASN 119 N 0.26 6.99 -0.14 4.52 3.84 -1.26 -4.95 114.94 124.20 3k4m s ASN 119 Ca 0.65 1.18 0.19 0.00 0.21 0.00 0.00 52.86 55.09 3k4m s ASN 119 Cb -0.59 -2.40 0.32 0.00 -0.55 0.00 0.00 41.25 38.03 3k4m s ASN 119 CO 0.51 -0.07 1.18 0.35 -2.79 0.00 0.00 177.10 176.28 3k4m n THR 120 N 3.57 1.94 -2.26 -5.21 -2.24 -1.26 -4.84 114.28 103.98 3k4m n THR 120 Ca -0.02 -2.24 -0.42 0.00 -2.27 0.00 0.00 64.05 59.10 3k4m n THR 120 Cb 0.51 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3k4m n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 121 N -2.88 4.41 -0.26 3.22 1.02 -1.26 -4.97 118.68 117.95 3k4m s LEU 121 Ca 0.33 2.31 -0.29 0.00 0.02 0.00 0.00 54.13 56.50 3k4m s LEU 121 Cb 0.29 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.90 3k4m s LEU 121 CO 0.04 -0.52 1.15 -0.69 0.02 0.00 0.00 176.35 176.34 3k4m s VAL 122 N 0.42 4.44 -0.32 -1.59 1.01 -1.26 -5.02 120.40 118.07 3k4m s VAL 122 Ca 0.58 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 64.21 3k4m s VAL 122 Cb -0.35 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 31.83 3k4m s VAL 122 CO 0.35 -0.32 0.06 -0.69 0.00 0.00 0.00 175.10 174.50 3k4m s VAL 123 N 3.63 3.44 -0.14 2.92 1.01 -1.26 -4.96 120.40 125.04 3k4m s VAL 123 Ca 0.49 -1.23 0.16 0.00 0.00 0.00 0.00 61.98 61.40 3k4m s VAL 123 Cb -0.16 -2.96 0.32 0.00 0.00 0.00 0.00 36.38 33.58 3k4m s VAL 123 CO 0.14 -0.14 1.16 -0.90 0.00 0.00 0.00 175.10 175.36 3k4m n ASP 124 N 4.73 2.04 -0.20 3.32 5.75 -1.26 -4.58 116.55 126.35 3k4m n ASP 124 Ca -0.13 -3.25 0.06 0.00 -0.01 0.00 0.00 54.79 51.46 3k4m n ASP 124 Cb 0.44 -0.45 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 3k4m n ASP 124 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3k4m n THR 125 N -1.25 1.58 -1.69 2.12 -2.24 -1.26 -5.01 114.28 106.53 3k4m n THR 125 Ca 0.16 -1.70 -0.37 0.00 -2.27 0.00 0.00 64.05 59.87 3k4m n THR 125 Cb 0.67 0.06 0.07 0.00 -2.10 0.00 0.00 70.33 69.03 3k4m n THR 125 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k4m n LEU 126 N -0.85 5.85 -4.76 3.22 4.77 -1.26 -4.98 117.00 118.99 3k4m n LEU 126 Ca 0.11 0.81 -0.41 0.00 -0.03 0.00 0.00 56.01 56.49 3k4m n LEU 126 Cb 0.53 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 3k4m n LEU 126 CO 0.03 -1.08 1.12 -0.55 -1.33 0.00 0.00 177.39 175.58 3k4m s SER 127 N -1.41 6.52 0.65 -1.43 0.15 -1.26 -4.90 113.70 112.01 3k4m s SER 127 Ca 0.82 2.85 0.22 0.00 0.70 0.00 0.00 55.95 60.54 3k4m s SER 127 Cb -0.38 -2.64 1.17 0.00 -1.71 0.00 0.00 66.02 62.46 3k4m s SER 127 CO 0.41 -0.77 1.65 -0.65 1.20 0.00 0.00 173.24 175.09 3k4m h PRO 128 N 4.11 0.00 0.00 5.44 0.11 -2.00 -1.19 132.00 138.47 3k4m h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k4m h PRO 128 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3k4m h PRO 128 CO 0.72 0.00 -0.33 0.25 -0.21 0.00 0.00 178.00 178.43 3k4m n THR 129 N -2.94 0.41 -2.90 -1.15 -2.24 -1.26 -4.90 114.28 99.30 3k4m n THR 129 Ca 0.02 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 3k4m n THR 129 Cb 0.64 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 3k4m n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k4m s SER 130 N -4.21 7.09 0.27 3.42 0.01 -0.45 -4.99 113.70 114.84 3k4m s SER 130 Ca 0.09 1.64 -0.30 0.00 1.31 0.00 0.00 55.95 58.69 3k4m s SER 130 Cb 0.13 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 3k4m s SER 130 CO 0.66 -0.16 1.40 0.86 0.41 0.00 0.00 173.24 176.41 3k4m s TRP 131 N -1.83 3.02 -0.06 2.43 -0.00 -1.26 -4.94 118.94 116.30 3k4m s TRP 131 Ca 0.53 1.15 -0.02 0.00 -0.00 0.00 0.00 56.10 57.76 3k4m s TRP 131 Cb -0.14 -3.78 0.03 0.00 -0.00 0.00 0.00 33.47 29.59 3k4m s TRP 131 CO 0.19 -2.41 0.07 -1.14 -0.00 0.00 0.00 176.95 173.65 3k4m s GLN 132 N -0.84 -0.06 0.81 5.86 0.74 -1.26 -5.13 119.66 119.78 3k4m s GLN 132 Ca 0.56 0.32 -0.12 0.00 0.05 0.00 0.00 55.36 56.17 3k4m s GLN 132 Cb -0.41 -0.69 0.07 0.00 1.10 0.00 0.00 33.01 33.08 3k4m s GLN 132 CO 0.47 -0.38 1.11 0.00 -0.55 0.00 0.00 175.29 175.94 3k4m s ALA 133 N 2.17 2.29 -1.72 1.58 0.00 -1.26 -4.96 121.76 119.86 3k4m s ALA 133 Ca 0.05 -0.32 0.23 0.00 0.00 0.00 0.00 51.96 51.91 3k4m s ALA 133 Cb -0.13 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 19.96 3k4m s ALA 133 CO -0.04 -1.74 1.10 0.43 0.00 0.00 0.00 175.76 175.52 3k4m n SER 134 N -3.42 1.62 -4.14 0.00 7.64 -1.26 -4.93 113.62 109.13 3k4m n SER 134 Ca 0.07 -1.28 -0.10 0.00 1.01 0.00 0.00 58.87 58.57 3k4m n SER 134 Cb 0.57 0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 64.23 3k4m n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4m s THR 135 N -2.63 0.55 -1.27 0.44 -4.23 -1.26 -5.06 115.64 102.17 3k4m s THR 135 Ca 0.16 -1.84 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 3k4m s THR 135 Cb 0.18 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.48 3k4m s THR 135 CO 0.64 -0.88 1.89 0.49 -0.54 0.00 0.00 174.62 176.22 3k4m n PHE 136 N 0.10 3.90 -2.09 3.99 3.72 -1.26 -4.98 117.46 120.84 3k4m n PHE 136 Ca -0.13 -2.55 -0.28 0.00 -0.05 0.00 0.00 57.45 54.44 3k4m n PHE 136 Cb 0.60 -2.55 0.07 0.00 -0.94 0.00 0.00 39.48 36.66 3k4m n PHE 136 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3k4m s PHE 137 N 5.31 3.04 -0.25 1.38 -0.71 -1.26 -4.91 117.98 120.57 3k4m s PHE 137 Ca 0.55 0.66 -0.28 0.00 -1.04 0.00 0.00 56.93 56.82 3k4m s PHE 137 Cb 0.06 -3.21 -0.03 0.00 -1.21 0.00 0.00 43.02 38.63 3k4m s PHE 137 CO 0.06 -1.41 1.95 0.08 -1.34 0.00 0.00 175.22 174.57 3k4m s VAL 138 N -3.33 3.29 0.06 -2.49 1.01 -1.26 -4.83 120.40 112.86 3k4m s VAL 138 Ca 0.59 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.93 3k4m s VAL 138 Cb -0.11 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3k4m s VAL 138 CO 0.47 -0.22 -0.13 -0.13 0.00 0.00 0.00 175.10 175.09 3k4m s ARG 139 N 5.76 0.79 -1.39 2.72 0.52 -1.26 -4.92 118.95 121.18 3k4m s ARG 139 Ca 0.88 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 3k4m s ARG 139 Cb -0.28 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.42 3k4m s ARG 139 CO 0.34 0.17 0.09 0.09 0.02 0.00 0.00 175.30 176.01 3k4m n ASN 140 N 1.39 -4.97 0.00 0.23 3.02 -1.26 -1.17 115.26 112.50 3k4m n ASN 140 Ca -0.21 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3k4m n ASN 140 Cb 0.54 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3k4m n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4m n GLY 141 N -1.08 0.82 3.76 7.41 0.00 -1.26 -5.02 105.19 109.81 3k4m n GLY 141 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3k4m n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4m s SER 142 N -2.80 4.79 -0.49 1.61 1.04 -0.32 -4.79 113.70 112.73 3k4m s SER 142 Ca 0.00 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.38 3k4m s SER 142 Cb 0.00 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.68 3k4m s SER 142 CO 0.00 -1.85 0.40 0.21 0.98 0.00 0.00 173.24 172.98 3k4m s ASN 143 N -2.54 5.90 0.20 7.02 2.47 0.32 -4.76 114.94 123.56 3k4m s ASN 143 Ca 0.68 -1.81 0.20 0.00 0.42 0.00 0.00 52.86 52.34 3k4m s ASN 143 Cb -0.22 -2.09 0.88 0.00 -1.45 0.00 0.00 41.25 38.37 3k4m s ASN 143 CO 0.44 -0.75 1.61 -0.81 -3.72 0.00 0.00 177.10 173.88 3k4m n PRO 144 N 5.05 0.14 0.23 0.43 -0.04 -1.26 -1.31 135.00 138.23 3k4m n PRO 144 Ca -0.11 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 3k4m n PRO 144 Cb 0.41 -1.79 0.51 0.00 -0.04 0.00 0.00 33.50 32.59 3k4m n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4m h GLU 145 N 0.00 0.00 -5.72 0.54 4.39 -1.95 -3.46 114.58 108.38 3k4m h GLU 145 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 3k4m h GLU 145 Cb 0.26 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 3k4m h GLU 145 CO 0.00 0.22 0.23 -1.14 -1.16 0.00 0.00 179.01 177.16 3k4m s GLN 146 N -3.82 4.21 -0.14 2.33 2.00 -0.43 -5.02 119.66 118.79 3k4m s GLN 146 Ca -0.01 0.73 -0.29 0.00 -2.00 0.00 0.00 55.36 53.79 3k4m s GLN 146 Cb 0.11 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.30 3k4m s GLN 146 CO 0.63 -0.32 1.42 0.34 -0.50 0.00 0.00 175.29 176.87 3k4m s ASP 147 N 1.25 6.79 0.52 6.67 -1.08 -1.26 -4.71 116.67 124.85 3k4m s ASP 147 Ca 0.31 1.83 0.34 0.00 -0.52 0.00 0.00 52.55 54.52 3k4m s ASP 147 Cb -0.16 -2.54 1.59 0.00 -1.46 0.00 0.00 42.92 40.36 3k4m s ASP 147 CO 0.10 -0.88 2.03 1.55 0.52 0.00 0.00 175.17 178.49 3k4m h PRO 148 N 8.92 0.00 -0.51 4.34 0.13 -1.96 -2.49 132.00 140.43 3k4m h PRO 148 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3k4m h PRO 148 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k4m h PRO 148 CO 0.97 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 3k4m n LEU 149 N -2.90 2.75 -2.80 1.56 4.77 -1.26 -4.20 117.00 114.93 3k4m n LEU 149 Ca -0.00 -1.38 -0.02 0.00 -0.03 0.00 0.00 56.01 54.58 3k4m n LEU 149 Cb 0.21 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3k4m n LEU 149 CO 0.23 0.63 -0.01 0.54 -1.33 0.00 0.00 177.39 177.44 3k4m n ARG 150 N 0.85 1.59 -4.41 3.23 1.74 -0.94 -4.99 116.66 113.74 3k4m n ARG 150 Ca 0.16 -3.38 -0.26 0.00 -0.77 0.00 0.00 57.85 53.61 3k4m n ARG 150 Cb 0.46 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 3k4m n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4m s ASN 151 N -3.57 4.05 -0.88 0.55 2.47 -1.25 -1.69 114.94 114.62 3k4m s ASN 151 Ca 0.26 -1.13 -0.00 0.00 0.42 0.00 0.00 52.86 52.41 3k4m s ASN 151 Cb 0.35 -0.46 0.25 0.00 -1.45 0.00 0.00 41.25 39.95 3k4m s ASN 151 CO -0.03 -0.31 0.94 0.18 -3.72 0.00 0.00 177.10 174.16 3k4m n LEU 152 N -0.96 4.63 0.04 3.21 4.77 -1.26 -4.84 117.00 122.59 3k4m n LEU 152 Ca -0.04 -5.23 0.04 0.00 -0.03 0.00 0.00 56.01 50.75 3k4m n LEU 152 Cb 0.64 -1.04 0.43 0.00 -2.33 0.00 0.00 43.42 41.11 3k4m n LEU 152 CO 0.45 1.71 1.09 0.77 -1.33 0.00 0.00 177.39 180.08 3k4m h SER 153 N 5.44 0.40 1.12 -1.43 4.64 -1.79 0.58 113.55 122.49 3k4m h SER 153 Ca 0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k4m h SER 153 Cb 0.73 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3k4m h SER 153 CO 0.96 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.88 3k4m n GLY 154 N -1.33 -1.54 3.72 -0.77 0.00 0.30 -4.81 105.19 100.76 3k4m n GLY 154 Ca 0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3k4m n GLY 154 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4m n GLN 155 N -1.75 2.52 -4.09 1.61 1.13 0.19 -3.54 117.38 113.45 3k4m n GLN 155 Ca 0.06 0.90 -0.10 0.00 -1.94 0.00 0.00 57.00 55.93 3k4m n GLN 155 Cb 0.36 -2.67 -0.09 0.00 0.11 0.00 0.00 30.24 27.95 3k4m n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k4m s ALA 156 N 0.36 0.58 0.20 -1.58 0.00 -1.26 -1.70 121.76 118.36 3k4m s ALA 156 Ca 0.69 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 51.42 3k4m s ALA 156 Cb -0.55 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 3k4m s ALA 156 CO 0.44 -0.54 -0.08 0.14 0.00 0.00 0.00 175.76 175.72 3k4m s VAL 157 N -4.02 1.32 -0.07 0.00 -7.23 -0.15 -4.83 120.40 105.41 3k4m s VAL 157 Ca 0.22 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3k4m s VAL 157 Cb 0.06 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3k4m s VAL 157 CO 0.01 -0.54 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.20 3k4m s THR 158 N -3.23 1.48 -0.60 5.32 2.01 -1.25 -0.76 115.64 118.61 3k4m s THR 158 Ca 0.23 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3k4m s THR 158 Cb 0.03 -1.31 0.16 0.00 0.01 0.00 0.00 72.50 71.39 3k4m s THR 158 CO 0.06 0.43 0.42 -0.13 -0.69 0.00 0.00 174.62 174.71 3k4m s ARG 159 N 0.49 1.96 0.04 4.92 0.52 -1.26 -4.70 118.95 120.92 3k4m s ARG 159 Ca -0.15 -2.89 -0.05 0.00 -0.52 0.00 0.00 55.73 52.12 3k4m s ARG 159 Cb -0.16 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 3k4m s ARG 159 CO 0.05 -1.29 0.09 0.14 0.02 0.00 0.00 175.30 174.32 3k4m s VAL 160 N -0.86 0.13 0.25 3.52 -7.23 -1.26 -4.32 120.40 110.64 3k4m s VAL 160 Ca 0.26 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 3k4m s VAL 160 Cb -0.06 -0.90 -0.11 0.00 0.56 0.00 0.00 36.38 35.88 3k4m s VAL 160 CO -0.15 -0.61 1.56 -0.69 -0.31 0.00 0.00 175.10 174.91 3k4m s VAL 161 N -2.62 2.30 0.00 1.32 1.01 -0.53 -1.24 120.40 120.64 3k4m s VAL 161 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3k4m s VAL 161 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3k4m s VAL 161 CO -0.05 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3k4m n GLY 162 N 2.61 1.03 7.00 4.51 0.00 -1.07 -4.31 105.19 114.95 3k4m n GLY 162 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3k4m n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLY 163 N -2.00 1.95 0.07 -0.02 0.00 -0.38 -2.53 105.19 102.28 3k4m n GLY 163 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3k4m n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4m n MET 164 N 8.86 0.09 0.00 1.61 2.81 -1.26 -2.43 117.12 126.80 3k4m n MET 164 Ca 0.00 0.35 0.12 0.00 -1.81 0.00 0.00 57.70 56.37 3k4m n MET 164 Cb 0.00 -1.69 0.67 0.00 -0.71 0.00 0.00 33.22 31.50 3k4m n MET 164 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k4m n SER 165 N -1.86 0.00 -0.02 7.83 3.41 -1.05 -1.64 113.62 120.28 3k4m n SER 165 Ca 0.03 -0.46 0.14 0.00 -0.26 0.00 0.00 58.87 58.31 3k4m n SER 165 Cb 0.18 -0.12 0.60 0.00 -0.26 0.00 0.00 64.21 64.61 3k4m n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4m n THR 166 N -1.12 0.00 -0.22 6.66 -2.24 -1.02 -4.34 114.28 112.00 3k4m n THR 166 Ca 0.15 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3k4m n THR 166 Cb 0.13 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3k4m n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n HIS 167 N -1.36 0.00 -1.07 4.78 1.44 -0.72 -1.35 115.22 116.95 3k4m n HIS 167 Ca 0.10 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.51 3k4m n HIS 167 Cb 0.31 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.56 3k4m n HIS 167 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 3k4m s TRP 168 N -0.09 2.15 -0.71 -1.40 1.48 -0.65 -4.95 118.94 114.76 3k4m s TRP 168 Ca 0.00 1.38 0.26 0.00 -1.06 0.00 0.00 56.10 56.67 3k4m s TRP 168 Cb 0.00 -3.16 0.74 0.00 -1.16 0.00 0.00 33.47 29.88 3k4m s TRP 168 CO 0.00 -2.52 1.71 2.41 -4.06 0.00 0.00 176.95 174.49 3k4m n THR 169 N -3.99 0.59 -1.10 0.66 -1.04 -1.26 -4.95 114.28 103.18 3k4m n THR 169 Ca 0.08 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.05 61.76 3k4m n THR 169 Cb 0.54 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.51 3k4m n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4m s ALA 171 N -2.07 3.49 -0.49 0.00 0.00 -1.26 -0.16 121.76 121.27 3k4m s ALA 171 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.24 3k4m s ALA 171 Cb 0.00 -3.36 0.28 0.00 0.00 0.00 0.00 23.12 20.04 3k4m s ALA 171 CO 0.00 -0.68 0.69 0.25 0.00 0.00 0.00 175.76 176.01 3k4m n THR 172 N 4.73 0.83 -1.93 0.00 -2.24 0.49 -4.80 114.28 111.36 3k4m n THR 172 Ca 0.07 -4.70 -0.32 0.00 -2.27 0.00 0.00 64.05 56.84 3k4m n THR 172 Cb 0.48 -1.61 0.02 0.00 -2.10 0.00 0.00 70.33 67.12 3k4m n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4m s PRO 173 N -2.12 3.33 0.30 -0.78 0.04 -1.26 -4.75 135.00 129.77 3k4m s PRO 173 Ca 0.39 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 3k4m s PRO 173 Cb 0.21 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 3k4m s PRO 173 CO -0.08 -0.79 0.66 1.03 0.04 0.00 0.00 177.00 177.87 3k4m s ARG 174 N -4.51 3.87 0.18 4.56 0.52 -1.26 -4.68 118.95 117.63 3k4m s ARG 174 Ca 0.60 0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 3k4m s ARG 174 Cb -0.14 -2.51 -0.08 0.00 0.52 0.00 0.00 34.95 32.74 3k4m s ARG 174 CO 0.44 0.19 1.02 -0.06 0.02 0.00 0.00 175.30 176.91 3k4m s PHE 175 N -1.99 3.74 0.94 -0.53 0.40 -1.26 -5.01 117.98 114.27 3k4m s PHE 175 Ca 0.51 1.74 -0.14 0.00 -0.60 0.00 0.00 56.93 58.44 3k4m s PHE 175 Cb -0.11 -3.15 0.16 0.00 0.51 0.00 0.00 43.02 40.44 3k4m s PHE 175 CO 0.22 -0.13 1.16 0.16 0.70 0.00 0.00 175.22 177.33 3k4m s ASP 176 N -0.37 3.24 0.16 1.36 -4.77 -1.26 -4.87 116.67 110.15 3k4m s ASP 176 Ca 0.46 0.81 -0.16 0.00 -3.30 0.00 0.00 52.55 50.37 3k4m s ASP 176 Cb -0.27 -1.26 0.06 0.00 -1.09 0.00 0.00 42.92 40.36 3k4m s ASP 176 CO 0.33 -2.70 1.78 0.03 0.70 0.00 0.00 175.17 175.31 3k4m h ARG 177 N -1.61 0.38 -1.28 2.11 3.08 -1.98 -1.13 114.38 113.96 3k4m h ARG 177 Ca -0.49 -0.02 0.38 0.00 0.07 0.00 0.00 59.98 59.92 3k4m h ARG 177 Cb 1.31 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 31.18 3k4m h ARG 177 CO 0.56 0.25 0.86 0.93 -1.07 0.00 0.00 179.97 181.50 3k4m h GLU 178 N 0.40 0.15 0.00 0.04 5.08 -1.97 0.34 114.58 118.61 3k4m h GLU 178 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3k4m h GLU 178 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3k4m h GLU 178 CO -0.12 0.10 -0.92 1.04 -1.00 0.00 0.00 179.01 178.11 3k4m n GLN 179 N -4.50 0.07 -4.10 2.33 6.02 -0.45 -4.84 117.38 111.92 3k4m n GLN 179 Ca 0.32 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.95 3k4m n GLN 179 Cb 1.29 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 30.96 3k4m n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4m s ARG 180 N -3.05 3.21 0.47 -1.09 3.52 0.11 -4.55 118.95 117.56 3k4m s ARG 180 Ca 0.07 -0.30 -0.23 0.00 -0.13 0.00 0.00 55.73 55.14 3k4m s ARG 180 Cb 0.16 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.49 3k4m s ARG 180 CO 0.82 0.73 1.25 -2.14 -0.81 0.00 0.00 175.30 175.15 3k4m s PRO 181 N -1.14 3.64 0.04 5.12 0.02 -1.26 -4.94 135.00 136.48 3k4m s PRO 181 Ca 0.16 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 3k4m s PRO 181 Cb -0.12 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 3k4m s PRO 181 CO 0.06 -0.71 1.04 -0.51 -0.33 0.00 0.00 177.00 176.54 3k4m s LEU 182 N -3.01 4.39 -0.22 -5.54 1.43 -1.26 -4.94 118.68 109.54 3k4m s LEU 182 Ca 0.64 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 55.60 3k4m s LEU 182 Cb -0.34 -3.58 -0.18 0.00 0.03 0.00 0.00 46.19 42.12 3k4m s LEU 182 CO 0.42 -0.29 -0.11 0.18 0.23 0.00 0.00 176.35 176.78 3k4m n LEU 183 N 3.67 1.91 -4.39 1.79 4.77 -1.26 -4.94 117.00 118.55 3k4m n LEU 183 Ca 0.06 -0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 3k4m n LEU 183 Cb 0.49 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 3k4m n LEU 183 CO 0.53 0.74 -0.44 -0.69 -1.33 0.00 0.00 177.39 176.20 3k4m s VAL 184 N -2.46 3.15 -0.01 4.08 1.01 -1.26 -5.04 120.40 119.87 3k4m s VAL 184 Ca -0.24 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 3k4m s VAL 184 Cb 0.07 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3k4m s VAL 184 CO 0.62 0.52 0.68 -1.59 0.00 0.00 0.00 175.10 175.33 3k4m s LYS 185 N 0.32 4.41 -1.45 2.72 -2.85 -1.26 -4.17 119.74 117.46 3k4m s LYS 185 Ca -0.10 0.88 -0.10 0.00 -1.00 0.00 0.00 55.97 55.65 3k4m s LYS 185 Cb -0.16 -3.38 0.04 0.00 -2.06 0.00 0.00 37.83 32.27 3k4m s LYS 185 CO 0.05 0.25 0.96 -0.25 0.10 0.00 0.00 175.35 176.47 3k4m n ASP 186 N 3.06 -5.63 -2.86 0.03 8.00 -1.26 -4.94 116.55 112.95 3k4m n ASP 186 Ca -0.04 -0.56 -0.07 0.00 0.71 0.00 0.00 54.79 54.83 3k4m n ASP 186 Cb 0.51 -4.48 -0.01 0.00 -0.02 0.00 0.00 41.12 37.12 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4m s ASP 187 N -3.15 -1.03 0.42 -2.24 -1.08 -1.26 -5.03 116.67 103.29 3k4m s ASP 187 Ca 0.55 -1.91 0.09 0.00 -0.52 0.00 0.00 52.55 50.76 3k4m s ASP 187 Cb -0.26 1.56 0.92 0.00 -1.46 0.00 0.00 42.92 43.68 3k4m s ASP 187 CO 0.68 -0.07 2.04 0.00 0.52 0.00 0.00 175.17 178.34 3k4m h ALA 188 N 5.14 1.81 -0.04 3.66 0.00 -1.92 0.81 119.26 128.72 3k4m h ALA 188 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3k4m h ALA 188 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3k4m h ALA 188 CO 0.06 0.13 -0.15 -0.44 0.00 0.00 0.00 179.25 178.85 3k4m h ASP 189 N 0.50 0.21 -0.84 0.00 3.32 -1.97 0.45 116.42 118.09 3k4m h ASP 189 Ca 0.19 -0.63 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 3k4m h ASP 189 Cb 0.13 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3k4m h ASP 189 CO -0.05 0.80 0.41 0.00 -1.72 0.00 0.00 179.24 178.69 3k4m h ALA 190 N 0.41 1.08 0.36 3.45 0.00 -1.74 0.12 119.26 122.95 3k4m h ALA 190 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3k4m h ALA 190 Cb 0.79 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3k4m h ALA 190 CO 0.03 0.64 -0.18 0.22 0.00 0.00 0.00 179.25 179.96 3k4m h ASP 191 N 1.19 -0.41 -0.62 0.00 3.58 -0.85 -2.06 116.42 117.24 3k4m h ASP 191 Ca 0.29 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.87 3k4m h ASP 191 Cb 0.11 0.11 -0.11 0.00 1.72 0.00 0.00 39.33 41.16 3k4m h ASP 191 CO -0.04 -0.28 -0.04 0.44 -2.88 0.00 0.00 179.24 176.44 3k4m h ASP 192 N -0.50 -0.36 -0.75 2.28 5.19 -0.58 -1.14 116.42 120.55 3k4m h ASP 192 Ca -0.05 0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3k4m h ASP 192 Cb 0.38 0.30 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 3k4m h ASP 192 CO 0.08 -0.14 0.25 0.00 -3.12 0.00 0.00 179.24 176.31 3k4m h ALA 193 N 1.58 0.98 -0.29 3.45 0.00 -0.70 -0.57 119.26 123.71 3k4m h ALA 193 Ca 0.32 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3k4m h ALA 193 Cb 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k4m h ALA 193 CO -0.56 0.65 -0.06 1.49 0.00 0.00 0.00 179.25 180.78 3k4m h GLU 194 N 1.11 0.55 -0.56 0.00 4.57 -1.15 -1.74 114.58 117.35 3k4m h GLU 194 Ca 0.24 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3k4m h GLU 194 Cb 0.29 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3k4m h GLU 194 CO -0.01 0.74 0.12 -1.49 -1.18 0.00 0.00 179.01 177.19 3k4m h TRP 195 N 0.31 0.90 -0.42 0.92 4.06 -0.88 -1.47 115.95 119.38 3k4m h TRP 195 Ca 0.07 -0.09 -0.14 0.00 2.06 0.00 0.00 58.89 60.80 3k4m h TRP 195 Cb 0.53 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 3k4m h TRP 195 CO 0.05 0.76 -0.29 0.22 -3.56 0.00 0.00 178.44 175.62 3k4m h ASP 196 N 0.83 0.95 0.20 -3.49 3.58 -1.02 0.99 116.42 118.46 3k4m h ASP 196 Ca 0.18 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3k4m h ASP 196 Cb 0.32 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3k4m h ASP 196 CO 0.00 1.16 -0.19 -0.09 -2.88 0.00 0.00 179.24 177.24 3k4m h ARG 197 N 0.77 -0.41 0.24 0.28 2.43 -1.12 -0.56 114.38 116.02 3k4m h ARG 197 Ca 0.09 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3k4m h ARG 197 Cb 0.86 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3k4m h ARG 197 CO 0.08 -0.27 -0.21 -0.07 -1.51 0.00 0.00 179.97 177.99 3k4m h LEU 198 N -0.42 -0.55 -1.00 3.80 3.38 -1.20 -2.44 115.31 116.88 3k4m h LEU 198 Ca -0.00 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3k4m h LEU 198 Cb 0.40 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 3k4m h LEU 198 CO -0.04 -0.31 0.63 1.88 0.09 0.00 0.00 178.44 180.69 3k4m h TYR 199 N -0.47 1.16 -0.20 1.13 0.05 -0.82 -1.68 116.97 116.15 3k4m h TYR 199 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3k4m h TYR 199 Cb 0.42 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3k4m h TYR 199 CO -0.14 0.53 0.06 1.15 -1.05 0.00 0.00 178.16 178.72 3k4m h THR 200 N 1.07 1.18 -0.57 -2.88 2.02 -0.92 -0.83 112.91 111.99 3k4m h THR 200 Ca 0.46 -0.57 0.09 0.00 0.77 0.00 0.00 66.41 67.16 3k4m h THR 200 Cb 0.33 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 3k4m h THR 200 CO -0.22 0.18 0.18 0.50 0.37 0.00 0.00 175.52 176.53 3k4m h LYS 201 N 0.15 0.33 -0.18 6.66 3.64 -1.37 -2.15 116.57 123.66 3k4m h LYS 201 Ca 0.06 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 3k4m h LYS 201 Cb 0.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3k4m h LYS 201 CO -0.00 0.22 -0.51 0.00 -2.27 0.00 0.00 179.45 176.88 3k4m h ALA 202 N 1.41 0.79 -0.47 5.00 0.00 -0.84 -0.99 119.26 124.16 3k4m h ALA 202 Ca 0.29 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3k4m h ALA 202 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3k4m h ALA 202 CO -0.32 0.68 -0.04 0.93 0.00 0.00 0.00 179.25 180.50 3k4m h GLU 203 N 0.38 0.80 -0.23 0.00 5.08 -1.07 -1.24 114.58 118.30 3k4m h GLU 203 Ca 0.01 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 3k4m h GLU 203 Cb 1.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3k4m h GLU 203 CO 0.09 0.83 -0.42 0.66 -1.00 0.00 0.00 179.01 179.18 3k4m h SER 204 N 0.74 0.76 -0.68 1.42 4.64 -1.09 0.68 113.55 120.02 3k4m h SER 204 Ca 0.14 -0.54 0.14 0.00 -0.47 0.00 0.00 61.79 61.07 3k4m h SER 204 Cb 0.50 -0.22 -0.11 0.00 -0.31 0.00 0.00 62.40 62.27 3k4m h SER 204 CO 0.03 1.16 0.10 1.88 -0.87 0.00 0.00 176.83 179.12 3k4m h TYR 205 N 0.40 0.14 -0.01 4.77 0.05 -0.95 -2.13 116.97 119.25 3k4m h TYR 205 Ca 0.01 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3k4m h TYR 205 Cb 1.02 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.80 3k4m h TYR 205 CO 0.08 -0.12 -0.32 1.19 -1.05 0.00 0.00 178.16 177.95 3k4m n PHE 206 N -5.21 0.00 -3.54 4.88 3.72 -0.49 -4.05 117.46 112.78 3k4m n PHE 206 Ca 0.12 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.31 3k4m n PHE 206 Cb 0.41 -0.16 0.08 0.00 -0.94 0.00 0.00 39.48 38.87 3k4m n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4m n GLN 207 N -0.91 -7.33 -1.83 -1.08 1.13 0.13 -3.98 117.38 103.51 3k4m n GLN 207 Ca 0.10 0.83 -0.42 0.00 -1.94 0.00 0.00 57.00 55.57 3k4m n GLN 207 Cb 0.34 -5.86 -0.03 0.00 0.11 0.00 0.00 30.24 24.80 3k4m n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4m s THR 208 N -3.34 2.38 0.20 5.09 2.01 0.19 -3.02 115.64 119.15 3k4m s THR 208 Ca 0.33 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 3k4m s THR 208 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3k4m s THR 208 CO 0.73 0.02 0.14 -0.83 -0.69 0.00 0.00 174.62 173.99 3k4m s GLY 209 N 1.31 1.42 -0.21 4.40 0.00 -0.52 -4.81 107.32 108.91 3k4m s GLY 209 Ca 0.73 -1.68 0.11 0.00 0.00 0.00 0.00 44.72 43.88 3k4m s GLY 209 CO 0.32 -1.38 1.22 -1.30 0.00 0.00 0.00 173.10 171.96 3k4m n THR 210 N -0.28 2.17 -0.39 0.90 -2.24 -1.26 -0.85 114.28 112.33 3k4m n THR 210 Ca 0.02 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.57 3k4m n THR 210 Cb 0.66 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3k4m n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4m n ASP 211 N -1.06 0.45 0.00 3.42 5.75 -1.26 -4.59 116.55 119.26 3k4m n ASP 211 Ca 0.20 -0.88 0.05 0.00 -0.01 0.00 0.00 54.79 54.15 3k4m n ASP 211 Cb 0.71 0.09 0.27 0.00 -1.03 0.00 0.00 41.12 41.16 3k4m n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4m n GLN 212 N -0.09 0.16 -0.18 0.11 3.00 -1.26 -2.66 117.38 116.46 3k4m n GLN 212 Ca 0.00 0.17 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 3k4m n GLN 212 Cb 0.10 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 28.94 3k4m n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4m n PHE 213 N -1.26 0.00 -0.11 1.08 3.01 -1.26 -4.82 117.46 114.11 3k4m n PHE 213 Ca 0.05 -0.73 0.08 0.00 1.01 0.00 0.00 57.45 57.86 3k4m n PHE 213 Cb 0.08 -0.12 0.43 0.00 -0.01 0.00 0.00 39.48 39.86 3k4m n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4m h LYS 214 N 0.00 0.55 -0.56 -1.08 2.10 -1.86 -1.70 116.57 114.03 3k4m h LYS 214 Ca 0.00 -0.03 -0.35 0.00 -2.00 0.00 0.00 60.65 58.26 3k4m h LYS 214 Cb 1.10 -0.12 -0.22 0.00 -0.90 0.00 0.00 32.23 32.08 3k4m h LYS 214 CO 0.00 0.36 -0.11 0.39 -2.00 0.00 0.00 179.45 178.09 3k4m n GLU 215 N -4.48 2.41 -3.01 0.07 1.02 -1.26 -4.90 120.64 110.50 3k4m n GLU 215 Ca 0.09 -3.45 -0.41 0.00 -0.02 0.00 0.00 57.16 53.37 3k4m n GLU 215 Cb 0.26 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.62 3k4m n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4m s SER 216 N -2.68 6.75 0.15 1.62 0.15 -0.64 -4.86 113.70 114.19 3k4m s SER 216 Ca 0.50 0.92 -0.22 0.00 0.70 0.00 0.00 55.95 57.85 3k4m s SER 216 Cb 0.43 -2.39 0.04 0.00 -1.71 0.00 0.00 66.02 62.39 3k4m s SER 216 CO 0.01 -0.39 1.63 0.40 1.20 0.00 0.00 173.24 176.09 3k4m h ILE 217 N 5.32 0.40 -0.77 6.45 2.04 -1.90 -2.09 117.51 126.96 3k4m h ILE 217 Ca -0.27 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3k4m h ILE 217 Cb 1.12 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3k4m h ILE 217 CO 0.81 0.00 0.33 0.03 0.00 0.00 0.00 178.15 179.33 3k4m h ARG 218 N -0.22 1.13 -0.13 2.37 3.08 -1.92 0.22 114.38 118.91 3k4m h ARG 218 Ca 0.15 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3k4m h ARG 218 Cb 0.45 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3k4m h ARG 218 CO -0.41 0.91 0.05 1.25 -1.07 0.00 0.00 179.97 180.70 3k4m h HIS 219 N 1.10 0.09 -0.48 3.04 2.76 -1.75 -2.23 115.15 117.69 3k4m h HIS 219 Ca 0.26 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.31 3k4m h HIS 219 Cb 0.18 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3k4m h HIS 219 CO 0.02 0.05 -0.20 -0.91 -1.30 0.00 0.00 177.93 175.59 3k4m h ASN 220 N 0.12 1.00 -0.11 3.26 2.35 -1.03 0.32 115.58 121.49 3k4m h ASN 220 Ca 0.06 -0.37 0.04 0.00 -0.55 0.00 0.00 56.30 55.48 3k4m h ASN 220 Cb 0.02 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3k4m h ASN 220 CO -0.05 1.16 -0.14 0.25 -1.65 0.00 0.00 177.43 176.99 3k4m h LEU 221 N 0.85 -0.44 -0.00 1.61 5.85 -0.38 0.18 115.31 122.97 3k4m h LEU 221 Ca 0.11 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3k4m h LEU 221 Cb 0.77 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3k4m h LEU 221 CO 0.06 -0.19 -0.00 0.58 -0.34 0.00 0.00 178.44 178.55 3k4m h VAL 222 N -0.18 1.30 -0.77 1.05 2.07 -1.33 -2.21 116.25 116.18 3k4m h VAL 222 Ca 0.09 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3k4m h VAL 222 Cb 0.31 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3k4m h VAL 222 CO -0.22 0.23 0.48 0.25 0.02 0.00 0.00 177.57 178.33 3k4m h LEU 223 N -0.36 0.78 -0.44 2.57 5.85 -0.25 -2.06 115.31 121.39 3k4m h LEU 223 Ca 0.00 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3k4m h LEU 223 Cb 0.37 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3k4m h LEU 223 CO 0.00 0.52 -0.64 0.78 -0.34 0.00 0.00 178.44 178.77 3k4m h ASN 224 N 0.92 0.59 -0.42 1.25 2.35 -0.59 -0.97 115.58 118.71 3k4m h ASN 224 Ca 0.32 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3k4m h ASN 224 Cb 0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3k4m h ASN 224 CO -0.13 1.08 0.11 0.50 -1.65 0.00 0.00 177.43 177.33 3k4m h LYS 225 N 0.38 0.68 -0.47 0.81 1.63 -0.89 -2.36 116.57 116.35 3k4m h LYS 225 Ca -0.01 -0.16 -0.14 0.00 -0.85 0.00 0.00 60.65 59.49 3k4m h LYS 225 Cb 1.20 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3k4m h LYS 225 CO 0.12 0.69 -0.24 -0.07 -3.45 0.00 0.00 179.45 176.49 3k4m h LEU 226 N 0.55 1.03 -0.22 5.20 3.38 -1.33 -0.73 115.31 123.19 3k4m h LEU 226 Ca 0.13 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3k4m h LEU 226 Cb 0.31 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3k4m h LEU 226 CO 0.00 1.21 -0.12 0.74 0.09 0.00 0.00 178.44 180.36 3k4m h THR 227 N 0.85 0.62 0.14 0.22 2.02 -1.08 -1.64 112.91 114.04 3k4m h THR 227 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3k4m h THR 227 Cb 0.83 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3k4m h THR 227 CO 0.07 0.00 -0.14 -0.08 0.37 0.00 0.00 175.52 175.74 3k4m h GLU 228 N -0.11 -0.30 0.00 6.66 4.81 -1.21 -1.17 114.58 123.26 3k4m h GLU 228 Ca 0.12 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3k4m h GLU 228 Cb 0.29 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3k4m h GLU 228 CO -0.28 -0.20 -0.17 0.93 -0.73 0.00 0.00 179.01 178.55 3k4m h GLU 229 N -0.31 0.00 -0.43 1.92 4.39 -1.02 -2.52 114.58 116.60 3k4m h GLU 229 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3k4m h GLU 229 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3k4m h GLU 229 CO -0.04 0.17 0.00 0.66 -1.16 0.00 0.00 179.01 178.64 3k4m n TYR 230 N -3.72 1.00 -1.59 4.33 4.02 -0.63 -5.02 117.16 115.56 3k4m n TYR 230 Ca -0.02 -0.66 -0.56 0.00 -0.01 0.00 0.00 57.90 56.66 3k4m n TYR 230 Cb 0.28 -0.20 -0.08 0.00 -0.02 0.00 0.00 39.34 39.33 3k4m n TYR 230 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3k4m n LYS 231 N 0.43 1.04 -0.72 -0.72 4.81 -0.47 -0.61 118.16 121.92 3k4m n LYS 231 Ca 0.20 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3k4m n LYS 231 Cb 0.75 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3k4m n LYS 231 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k4m n GLY 232 N 5.22 0.63 0.00 3.14 0.00 -1.26 -4.86 105.19 108.06 3k4m n GLY 232 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3k4m n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4m n GLN 233 N -2.72 0.79 -3.78 1.61 6.02 0.22 -5.09 117.38 114.42 3k4m n GLN 233 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3k4m n GLN 233 Cb 0.00 -0.72 -0.08 0.00 1.02 0.00 0.00 30.24 30.46 3k4m n GLN 233 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m s ARG 234 N -1.44 0.72 -0.10 -1.09 0.52 -0.96 -5.08 118.95 111.52 3k4m s ARG 234 Ca 0.00 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 3k4m s ARG 234 Cb 0.00 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 3k4m s ARG 234 CO 0.00 -0.22 -0.02 -0.51 0.02 0.00 0.00 175.30 174.57 3k4m s ASP 235 N -1.80 5.02 0.20 0.23 1.01 -1.26 -4.64 116.67 115.43 3k4m s ASP 235 Ca -0.08 0.04 0.11 0.00 0.71 0.00 0.00 52.55 53.32 3k4m s ASP 235 Cb -0.03 -1.51 -0.04 0.00 1.01 0.00 0.00 42.92 42.35 3k4m s ASP 235 CO -0.01 0.31 -0.18 -0.36 0.21 0.00 0.00 175.17 175.15 3k4m s PHE 236 N -0.50 2.43 0.18 4.23 0.40 -1.26 -4.23 117.98 119.23 3k4m s PHE 236 Ca 0.08 -0.30 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 3k4m s PHE 236 Cb -0.12 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.27 3k4m s PHE 236 CO 0.02 0.53 0.52 0.00 0.70 0.00 0.00 175.22 176.99 3k4m n GLN 237 N 0.07 0.55 -2.81 0.44 10.64 -0.67 -5.00 117.38 120.60 3k4m n GLN 237 Ca -0.11 -1.13 -0.37 0.00 -1.83 0.00 0.00 57.00 53.56 3k4m n GLN 237 Cb 0.56 1.45 -0.06 0.00 -0.86 0.00 0.00 30.24 31.32 3k4m n GLN 237 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 3k4m s GLN 238 N -2.04 4.59 0.20 2.61 0.74 -1.26 -1.44 119.66 123.06 3k4m s GLN 238 Ca 0.11 1.30 -0.32 0.00 0.05 0.00 0.00 55.36 56.50 3k4m s GLN 238 Cb -0.02 -2.89 -0.13 0.00 1.10 0.00 0.00 33.01 31.07 3k4m s GLN 238 CO 0.05 0.33 1.56 -0.89 -0.55 0.00 0.00 175.29 175.80 3k4m n ILE 239 N 0.74 0.36 -2.10 -2.34 5.41 0.54 -4.74 119.36 117.23 3k4m n ILE 239 Ca 0.01 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.25 3k4m n ILE 239 Cb 0.50 -1.65 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 3k4m n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4m s PRO 240 N 0.45 4.25 -0.02 0.38 0.02 -1.26 -4.70 135.00 134.12 3k4m s PRO 240 Ca 0.74 2.12 0.07 0.00 0.02 0.00 0.00 61.00 63.95 3k4m s PRO 240 Cb -0.62 -3.53 -0.02 0.00 0.02 0.00 0.00 34.50 30.35 3k4m s PRO 240 CO 0.41 -0.62 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.72 3k4m s LEU 241 N 2.29 2.04 -0.73 -5.54 1.43 -0.03 -0.38 118.68 117.76 3k4m s LEU 241 Ca 0.68 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.11 3k4m s LEU 241 Cb -0.35 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 44.72 3k4m s LEU 241 CO 0.29 0.27 1.14 0.00 0.23 0.00 0.00 176.35 178.28 3k4m s ALA 242 N -0.46 2.94 -0.28 4.21 0.00 0.77 -1.44 121.76 127.50 3k4m s ALA 242 Ca 0.06 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 50.04 3k4m s ALA 242 Cb -0.10 -4.08 0.18 0.00 0.00 0.00 0.00 23.12 19.12 3k4m s ALA 242 CO -0.00 -3.06 1.35 0.00 0.00 0.00 0.00 175.76 174.05 3k4m s ALA 243 N 4.78 -2.15 -0.12 0.00 0.00 -1.17 -0.48 121.76 122.63 3k4m s ALA 243 Ca 0.30 1.77 -0.00 0.00 0.00 0.00 0.00 51.96 54.02 3k4m s ALA 243 Cb -0.11 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.45 3k4m s ALA 243 CO 0.10 -0.18 -0.09 0.99 0.00 0.00 0.00 175.76 176.58 3k4m s THR 244 N -0.45 1.13 -0.01 0.00 2.01 -0.27 -4.61 115.64 113.43 3k4m s THR 244 Ca 0.07 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 3k4m s THR 244 Cb -0.03 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3k4m s THR 244 CO -0.11 0.38 1.13 -0.60 -0.69 0.00 0.00 174.62 174.73 3k4m s ARG 245 N 1.66 4.44 -0.21 4.92 3.52 -1.26 -0.62 118.95 131.40 3k4m s ARG 245 Ca 0.05 1.62 0.06 0.00 -0.13 0.00 0.00 55.73 57.33 3k4m s ARG 245 Cb -0.13 -3.46 -0.21 0.00 -1.56 0.00 0.00 34.95 29.60 3k4m s ARG 245 CO -0.09 -0.27 -0.01 0.54 -0.81 0.00 0.00 175.30 174.66 3k4m n ARG 246 N 4.43 0.67 -4.04 5.12 5.12 -0.36 -4.92 116.66 122.69 3k4m n ARG 246 Ca 0.09 0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 56.01 3k4m n ARG 246 Cb 0.48 -1.56 -0.04 0.00 -1.16 0.00 0.00 32.46 30.17 3k4m n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4m s SER 247 N -6.25 0.47 0.27 0.55 1.04 -0.93 -4.98 113.70 103.88 3k4m s SER 247 Ca -0.24 -1.27 0.23 0.00 0.48 0.00 0.00 55.95 55.15 3k4m s SER 247 Cb 0.08 0.64 1.02 0.00 0.10 0.00 0.00 66.02 67.85 3k4m s SER 247 CO 0.70 -1.26 1.69 -2.65 0.98 0.00 0.00 173.24 172.71 3k4m n PRO 248 N -0.49 0.18 0.00 4.02 -0.02 -1.26 -3.26 135.00 134.17 3k4m n PRO 248 Ca -0.01 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3k4m n PRO 248 Cb 0.62 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3k4m n PRO 248 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k4m n THR 249 N -2.23 0.00 -3.95 3.45 -2.24 -1.26 -4.76 114.28 103.29 3k4m n THR 249 Ca 0.01 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.07 3k4m n THR 249 Cb 0.18 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.25 3k4m n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4m s PHE 250 N -0.16 0.80 -0.12 4.78 2.19 -1.20 -4.95 117.98 119.31 3k4m s PHE 250 Ca 0.01 -0.25 -0.04 0.00 0.33 0.00 0.00 56.93 56.98 3k4m s PHE 250 Cb 0.01 -0.80 -0.03 0.00 -1.31 0.00 0.00 43.02 40.89 3k4m s PHE 250 CO 0.01 -0.29 0.02 0.08 1.83 0.00 0.00 175.22 176.86 3k4m s VAL 251 N 1.51 4.41 -0.58 3.12 1.01 -1.26 -1.22 120.40 127.39 3k4m s VAL 251 Ca -0.02 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3k4m s VAL 251 Cb -0.13 -2.90 0.10 0.00 0.00 0.00 0.00 36.38 33.45 3k4m s VAL 251 CO -0.03 0.56 0.68 -0.70 0.00 0.00 0.00 175.10 175.61 3k4m s GLU 252 N -0.41 3.05 0.34 2.72 2.12 0.21 -4.83 118.70 121.89 3k4m s GLU 252 Ca 0.08 -1.30 -0.27 0.00 0.36 0.00 0.00 54.97 53.84 3k4m s GLU 252 Cb -0.12 -4.25 -0.09 0.00 0.26 0.00 0.00 34.13 29.92 3k4m s GLU 252 CO 0.02 -1.50 1.08 -1.58 -0.54 0.00 0.00 175.26 172.74 3k4m s TRP 253 N 2.62 3.43 0.93 5.30 0.52 -1.26 -1.12 118.94 129.36 3k4m s TRP 253 Ca 0.11 1.68 -0.14 0.00 0.02 0.00 0.00 56.10 57.77 3k4m s TRP 253 Cb -0.24 -3.22 0.19 0.00 -1.15 0.00 0.00 33.47 29.05 3k4m s TRP 253 CO 0.07 -0.60 1.28 -1.12 0.02 0.00 0.00 176.95 176.59 3k4m s SER 254 N -1.19 3.28 -0.01 2.95 0.01 0.37 -4.64 113.70 114.46 3k4m s SER 254 Ca 0.51 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.62 3k4m s SER 254 Cb -0.28 -0.24 0.11 0.00 0.21 0.00 0.00 66.02 65.83 3k4m s SER 254 CO 0.35 -2.62 1.28 -0.94 0.41 0.00 0.00 173.24 171.72 3k4m s SER 255 N -4.88 -0.05 0.39 2.44 1.04 -1.26 -4.67 113.70 106.72 3k4m s SER 255 Ca 0.73 -0.16 0.19 0.00 0.48 0.00 0.00 55.95 57.19 3k4m s SER 255 Cb -0.04 0.17 1.14 0.00 0.10 0.00 0.00 66.02 67.39 3k4m s SER 255 CO 0.52 -0.32 1.74 0.00 0.98 0.00 0.00 173.24 176.15 3k4m h ALA 256 N 2.00 2.26 -0.39 5.32 0.00 -1.78 -1.82 119.26 124.85 3k4m h ALA 256 Ca -0.29 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3k4m h ALA 256 Cb 1.20 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3k4m h ALA 256 CO 0.29 -0.72 0.14 -0.97 0.00 0.00 0.00 179.25 177.99 3k4m h ASN 257 N 0.35 0.16 -0.91 0.00 -0.73 -1.61 -0.97 115.58 111.88 3k4m h ASN 257 Ca 0.64 0.04 0.19 0.00 1.87 0.00 0.00 56.30 59.05 3k4m h ASN 257 Cb 1.67 0.02 -0.11 0.00 0.27 0.00 0.00 38.32 40.17 3k4m h ASN 257 CO -0.35 0.13 0.46 0.74 -0.37 0.00 0.00 177.43 178.04 3k4m h THR 258 N 0.31 0.60 -0.18 -3.57 2.02 -1.65 -2.44 112.91 107.99 3k4m h THR 258 Ca 0.18 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.97 3k4m h THR 258 Cb 0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3k4m h THR 258 CO -0.18 0.10 -0.69 0.58 0.37 0.00 0.00 175.52 175.70 3k4m h VAL 259 N 0.55 1.29 -1.78 3.16 2.07 -1.11 -3.46 116.25 116.98 3k4m h VAL 259 Ca 0.54 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 66.21 3k4m h VAL 259 Cb 0.91 1.88 -0.24 0.00 -1.52 0.00 0.00 31.29 32.33 3k4m h VAL 259 CO -0.44 0.61 0.19 0.12 0.02 0.00 0.00 177.57 178.07 3k4m s PHE 260 N -3.86 -0.83 -1.77 1.57 5.36 -0.50 -4.67 117.98 113.27 3k4m s PHE 260 Ca -0.09 1.67 0.30 0.00 -0.96 0.00 0.00 56.93 57.84 3k4m s PHE 260 Cb 0.10 0.50 1.50 0.00 -0.34 0.00 0.00 43.02 44.77 3k4m s PHE 260 CO 0.89 -0.41 2.01 -0.40 -1.46 0.00 0.00 175.22 175.85 3k4m n ASP 261 N 4.02 0.29 0.00 6.13 5.68 -1.18 -3.94 116.55 127.55 3k4m n ASP 261 Ca -0.19 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 3k4m n ASP 261 Cb 0.58 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3k4m n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4m n LEU 262 N -0.96 0.57 -4.71 -2.12 4.77 -1.26 -4.26 117.00 109.03 3k4m n LEU 262 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3k4m n LEU 262 Cb 0.22 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 3k4m n LEU 262 CO 0.21 -0.37 0.96 -1.10 -1.33 0.00 0.00 177.39 175.76 3k4m s GLN 263 N -0.74 4.38 0.31 3.23 -1.52 -1.26 -4.74 119.66 119.31 3k4m s GLN 263 Ca 0.00 1.88 -0.28 0.00 -1.95 0.00 0.00 55.36 55.01 3k4m s GLN 263 Cb 0.00 -3.33 -0.13 0.00 -0.22 0.00 0.00 33.01 29.32 3k4m s GLN 263 CO 0.00 -0.34 1.13 0.09 -0.25 0.00 0.00 175.29 175.92 3k4m n ASN 264 N 4.06 1.92 -4.18 5.90 3.02 -1.26 -4.88 115.26 119.83 3k4m n ASN 264 Ca 0.10 1.19 -0.20 0.00 -0.03 0.00 0.00 54.58 55.64 3k4m n ASN 264 Cb 0.45 -1.37 -0.13 0.00 -0.61 0.00 0.00 39.78 38.12 3k4m n ASN 264 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k4m s ARG 265 N -1.65 0.93 0.40 3.52 0.52 0.35 -4.19 118.95 118.82 3k4m s ARG 265 Ca 0.58 -0.92 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 3k4m s ARG 265 Cb -0.65 -0.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.74 3k4m s ARG 265 CO 0.61 0.23 1.39 -2.30 0.02 0.00 0.00 175.30 175.24 3k4m n PRO 266 N 1.48 2.31 -4.21 3.54 -0.02 -0.71 -1.25 135.00 136.13 3k4m n PRO 266 Ca -0.20 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3k4m n PRO 266 Cb 0.54 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3k4m n PRO 266 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k4m s ASN 267 N -0.33 0.38 0.23 2.55 2.20 -1.17 -5.00 114.94 113.80 3k4m s ASN 267 Ca 0.57 -1.44 -0.07 0.00 -0.94 0.00 0.00 52.86 50.98 3k4m s ASN 267 Cb -0.50 0.40 0.36 0.00 -2.00 0.00 0.00 41.25 39.51 3k4m s ASN 267 CO 0.61 -0.87 1.74 0.74 -2.94 0.00 0.00 177.10 176.38 3k4m h THR 268 N 2.55 0.71 -0.13 0.54 2.02 -1.96 -1.01 112.91 115.62 3k4m h THR 268 Ca -0.34 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3k4m h THR 268 Cb 1.25 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3k4m h THR 268 CO 0.51 0.08 -0.03 0.44 0.37 0.00 0.00 175.52 176.88 3k4m h ASP 269 N 0.42 0.17 -2.17 4.18 5.19 -2.00 -3.34 116.42 118.86 3k4m h ASP 269 Ca 0.36 -0.02 -0.57 0.00 -0.62 0.00 0.00 57.03 56.18 3k4m h ASP 269 Cb 0.49 -0.04 -0.38 0.00 0.18 0.00 0.00 39.33 39.58 3k4m h ASP 269 CO -0.36 0.24 -1.01 0.00 -3.12 0.00 0.00 179.24 174.99 3k4m n ALA 270 N -2.50 2.55 0.72 3.45 0.00 -0.52 -4.98 120.51 119.23 3k4m n ALA 270 Ca -0.01 -3.14 0.11 0.00 0.00 0.00 0.00 53.44 50.40 3k4m n ALA 270 Cb 0.18 -0.79 0.48 0.00 0.00 0.00 0.00 19.45 19.31 3k4m n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k4m n PRO 271 N 2.31 0.06 -0.07 0.00 -0.04 -0.50 -2.90 135.00 133.86 3k4m n PRO 271 Ca 0.26 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 3k4m n PRO 271 Cb 0.50 -1.58 0.21 0.00 -0.04 0.00 0.00 33.50 32.59 3k4m n PRO 271 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k4m n GLU 272 N -1.69 2.26 -3.73 0.54 -0.58 -1.26 -4.71 120.64 111.47 3k4m n GLU 272 Ca 0.05 -1.86 -0.20 0.00 -0.42 0.00 0.00 57.16 54.73 3k4m n GLU 272 Cb 0.29 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.66 3k4m n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k4m s GLU 273 N -1.82 2.93 -0.30 3.49 2.02 -1.14 -4.93 118.70 118.95 3k4m s GLU 273 Ca 0.33 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 3k4m s GLU 273 Cb 0.21 -2.63 0.10 0.00 0.10 0.00 0.00 34.13 31.91 3k4m s GLU 273 CO 0.31 0.13 0.12 1.03 0.02 0.00 0.00 175.26 176.87 3k4m s ARG 274 N -4.04 0.36 -0.00 1.61 0.52 -1.26 -1.74 118.95 114.39 3k4m s ARG 274 Ca 0.41 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 3k4m s ARG 274 Cb -0.07 -1.42 -0.00 0.00 0.52 0.00 0.00 34.95 33.98 3k4m s ARG 274 CO 0.28 -1.01 -0.04 0.12 0.02 0.00 0.00 175.30 174.66 3k4m s PHE 275 N 1.93 0.41 -0.04 -0.53 5.36 -0.38 -1.40 117.98 123.33 3k4m s PHE 275 Ca 0.09 -0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.00 3k4m s PHE 275 Cb -0.16 -0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.27 3k4m s PHE 275 CO -0.33 -0.01 -0.05 -0.80 -1.46 0.00 0.00 175.22 172.57 3k4m s ASN 276 N -0.08 0.95 -0.22 6.13 -0.87 -0.91 -0.50 114.94 119.45 3k4m s ASN 276 Ca 0.01 -0.14 -0.10 0.00 -1.57 0.00 0.00 52.86 51.07 3k4m s ASN 276 Cb -0.02 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.25 40.71 3k4m s ASN 276 CO -0.00 -0.04 0.13 -0.22 -2.57 0.00 0.00 177.10 174.40 3k4m s LEU 277 N 0.82 4.10 -0.42 0.60 2.96 -1.26 -0.62 118.68 124.86 3k4m s LEU 277 Ca -0.11 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3k4m s LEU 277 Cb -0.14 -2.08 0.11 0.00 0.50 0.00 0.00 46.19 44.59 3k4m s LEU 277 CO 0.00 0.13 0.17 -0.36 -1.32 0.00 0.00 176.35 174.97 3k4m s PHE 278 N 0.68 3.57 0.71 5.38 0.08 0.20 -4.96 117.98 123.64 3k4m s PHE 278 Ca 0.07 -2.87 -0.10 0.00 0.12 0.00 0.00 56.93 54.15 3k4m s PHE 278 Cb -0.12 -3.01 0.03 0.00 -0.57 0.00 0.00 43.02 39.35 3k4m s PHE 278 CO 0.01 -0.90 1.07 -1.25 -0.10 0.00 0.00 175.22 174.05 3k4m s PRO 279 N 0.62 2.61 -1.18 0.24 0.04 -1.26 -2.22 135.00 133.85 3k4m s PRO 279 Ca 0.12 0.23 -0.07 0.00 0.04 0.00 0.00 61.00 61.32 3k4m s PRO 279 Cb -0.21 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.27 3k4m s PRO 279 CO -0.05 -1.11 0.94 0.00 0.04 0.00 0.00 177.00 176.81 3k4m n ALA 280 N -2.99 -1.07 -3.85 8.56 0.00 0.38 -4.87 120.51 116.68 3k4m n ALA 280 Ca 0.07 0.33 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 3k4m n ALA 280 Cb 0.58 -4.58 -0.17 0.00 0.00 0.00 0.00 19.45 15.29 3k4m n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4m s VAL 281 N -3.24 1.01 -0.27 0.00 1.01 -0.02 -1.58 120.40 117.30 3k4m s VAL 281 Ca 0.46 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 3k4m s VAL 281 Cb -0.20 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 3k4m s VAL 281 CO 0.57 0.36 0.80 0.00 0.00 0.00 0.00 175.10 176.84 3k4m s ALA 282 N 1.60 3.60 -0.01 5.51 0.00 -0.32 -1.75 121.76 130.40 3k4m s ALA 282 Ca 0.03 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3k4m s ALA 282 Cb -0.13 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3k4m s ALA 282 CO -0.07 -1.02 0.63 0.00 0.00 0.00 0.00 175.76 175.30 3k4m n GLU 284 N 2.93 0.31 -3.69 0.00 1.02 0.87 -4.95 120.64 117.13 3k4m n GLU 284 Ca -0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 3k4m n GLU 284 Cb 0.51 -0.99 -0.08 0.00 -0.02 0.00 0.00 31.44 30.86 3k4m n GLU 284 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k4m s ARG 285 N -1.98 0.77 -0.16 3.49 0.52 -1.18 -4.64 118.95 115.77 3k4m s ARG 285 Ca 0.00 0.01 -0.08 0.00 -0.52 0.00 0.00 55.73 55.14 3k4m s ARG 285 Cb 0.00 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 3k4m s ARG 285 CO 0.00 -0.22 0.10 0.14 0.02 0.00 0.00 175.30 175.34 3k4m s VAL 286 N -1.16 5.12 -0.13 3.52 -7.23 -1.26 -0.34 120.40 118.92 3k4m s VAL 286 Ca -0.12 0.08 -0.24 0.00 -1.81 0.00 0.00 61.98 59.89 3k4m s VAL 286 Cb -0.04 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 3k4m s VAL 286 CO 0.06 0.51 0.74 -0.69 -0.31 0.00 0.00 175.10 175.41 3k4m s VAL 287 N -0.11 4.98 -0.05 1.32 1.01 0.36 -4.78 120.40 123.13 3k4m s VAL 287 Ca 0.09 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.36 3k4m s VAL 287 Cb -0.12 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3k4m s VAL 287 CO 0.01 0.14 0.55 -0.13 0.00 0.00 0.00 175.10 175.66 3k4m s ARG 288 N 1.51 4.30 1.14 2.72 0.52 -1.26 -0.13 118.95 127.74 3k4m s ARG 288 Ca 0.37 0.62 -0.19 0.00 -0.52 0.00 0.00 55.73 56.01 3k4m s ARG 288 Cb -0.17 -3.37 0.30 0.00 0.52 0.00 0.00 34.95 32.22 3k4m s ARG 288 CO 0.15 0.30 0.71 0.27 0.02 0.00 0.00 175.30 176.75 3k4m n ASN 289 N 3.04 -3.51 0.08 0.23 6.94 -0.45 -4.83 115.26 116.76 3k4m n ASN 289 Ca -0.07 -0.74 -0.15 0.00 -0.02 0.00 0.00 54.58 53.60 3k4m n ASN 289 Cb 0.51 -0.79 -0.14 0.00 -2.36 0.00 0.00 39.78 37.01 3k4m n ASN 289 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k4m h ALA 290 N -3.22 0.21 -0.64 -2.53 0.00 -1.98 -3.12 119.26 107.97 3k4m h ALA 290 Ca -0.31 -0.99 -0.22 0.00 0.00 0.00 0.00 54.91 53.39 3k4m h ALA 290 Cb 1.04 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3k4m h ALA 290 CO 0.19 1.09 0.27 1.28 0.00 0.00 0.00 179.25 182.08 3k4m n LEU 291 N -3.47 5.45 -3.96 0.00 4.77 -1.26 -4.95 117.00 113.59 3k4m n LEU 291 Ca -0.11 -2.84 -0.30 0.00 -0.03 0.00 0.00 56.01 52.73 3k4m n LEU 291 Cb 1.02 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3k4m n LEU 291 CO 0.52 0.76 -0.25 0.59 -1.33 0.00 0.00 177.39 177.67 3k4m n ASN 292 N -0.18 -0.40 0.00 -1.43 3.02 -1.18 -4.79 115.26 110.29 3k4m n ASN 292 Ca 0.36 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3k4m n ASN 292 Cb 1.24 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3k4m n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4m n SER 293 N -2.03 0.45 -3.87 6.41 3.41 -1.25 -4.48 113.62 112.25 3k4m n SER 293 Ca -0.08 -0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 57.72 3k4m n SER 293 Cb 0.46 0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 64.85 3k4m n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4m s GLU 294 N -0.51 0.80 -0.25 4.33 2.12 -1.26 -0.99 118.70 122.94 3k4m s GLU 294 Ca 0.00 -0.93 -0.12 0.00 0.36 0.00 0.00 54.97 54.28 3k4m s GLU 294 Cb 0.00 0.32 -0.05 0.00 0.26 0.00 0.00 34.13 34.67 3k4m s GLU 294 CO 0.00 -0.25 0.23 0.42 -0.54 0.00 0.00 175.26 175.12 3k4m s ILE 295 N -3.68 5.30 0.13 -3.70 -1.09 -1.26 -1.33 121.20 115.56 3k4m s ILE 295 Ca 0.04 0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 3k4m s ILE 295 Cb 0.04 -3.57 -0.17 0.00 -1.58 0.00 0.00 42.46 37.19 3k4m s ILE 295 CO -0.10 0.29 1.32 -0.33 -1.23 0.00 0.00 174.94 174.88 3k4m h GLU 296 N 7.76 0.55 -1.17 2.79 4.39 -0.85 -3.47 114.58 124.57 3k4m h GLU 296 Ca -0.36 -0.52 0.37 0.00 0.34 0.00 0.00 59.36 59.18 3k4m h GLU 296 Cb 1.17 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.81 3k4m h GLU 296 CO 0.64 1.15 0.94 -1.54 -1.16 0.00 0.00 179.01 179.03 3k4m s SER 297 N -7.10 -0.02 -0.17 1.42 1.04 -1.25 -4.70 113.70 102.92 3k4m s SER 297 Ca -0.07 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 3k4m s SER 297 Cb 0.09 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 3k4m s SER 297 CO 0.88 -0.11 -0.12 -0.22 0.98 0.00 0.00 173.24 174.65 3k4m s LEU 298 N -2.89 2.65 -0.27 2.42 2.96 -0.13 -0.49 118.68 122.93 3k4m s LEU 298 Ca 0.14 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.50 3k4m s LEU 298 Cb 0.06 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3k4m s LEU 298 CO -0.06 0.07 0.34 -1.00 -1.32 0.00 0.00 176.35 174.39 3k4m s HIS 299 N 0.90 3.25 0.17 5.38 3.76 0.54 0.75 115.29 130.04 3k4m s HIS 299 Ca -0.03 0.38 0.11 0.00 -0.15 0.00 0.00 55.06 55.37 3k4m s HIS 299 Cb -0.15 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 3k4m s HIS 299 CO -0.00 -0.19 -0.24 0.96 -0.85 0.00 0.00 174.74 174.41 3k4m s ILE 300 N 1.94 2.25 -0.30 0.60 -4.36 -0.97 -0.09 121.20 120.28 3k4m s ILE 300 Ca 0.14 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3k4m s ILE 300 Cb -0.16 -2.04 0.09 0.00 1.25 0.00 0.00 42.46 41.60 3k4m s ILE 300 CO 0.10 -0.08 0.03 -2.28 0.24 0.00 0.00 174.94 172.95 3k4m s HIS 301 N -1.52 2.67 -0.40 1.37 5.65 0.11 -0.99 115.29 122.18 3k4m s HIS 301 Ca 0.18 -2.21 -0.29 0.00 0.25 0.00 0.00 55.06 53.00 3k4m s HIS 301 Cb -0.08 -2.12 0.00 0.00 -1.18 0.00 0.00 32.58 29.20 3k4m s HIS 301 CO 0.08 -0.87 1.50 0.34 -0.65 0.00 0.00 174.74 175.14 3k4m s ASP 302 N 1.29 6.21 0.42 9.88 2.15 0.34 -1.17 116.67 135.79 3k4m s ASP 302 Ca 0.05 0.90 0.16 0.00 0.43 0.00 0.00 52.55 54.10 3k4m s ASP 302 Cb -0.18 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 40.81 3k4m s ASP 302 CO -0.13 -1.52 1.90 -0.07 -0.17 0.00 0.00 175.17 175.17 3k4m h LEU 303 N 12.63 0.00 0.20 -1.34 3.38 -1.59 0.51 115.31 129.10 3k4m h LEU 303 Ca -0.29 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 3k4m h LEU 303 Cb 1.12 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.90 3k4m h LEU 303 CO 1.08 0.29 -1.18 0.40 0.09 0.00 0.00 178.44 179.11 3k4m h ILE 304 N 0.00 1.38 0.03 1.22 1.08 -1.91 -3.35 117.51 115.96 3k4m h ILE 304 Ca -0.00 -2.62 -0.28 0.00 -0.39 0.00 0.00 64.86 61.57 3k4m h ILE 304 Cb 0.55 3.11 -0.04 0.00 -3.07 0.00 0.00 36.82 37.38 3k4m h ILE 304 CO 0.04 0.77 -1.51 0.77 -0.69 0.00 0.00 178.15 177.53 3k4m h SER 305 N -0.10 0.09 0.00 1.72 4.64 -1.92 -3.48 113.55 114.50 3k4m h SER 305 Ca -0.21 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3k4m h SER 305 Cb 1.93 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 3k4m h SER 305 CO 0.22 1.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.91 3k4m n GLY 306 N 1.54 2.56 3.76 -0.77 0.00 0.18 -5.05 105.19 107.42 3k4m n GLY 306 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3k4m n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4m s ASP 307 N -1.44 5.22 -0.11 1.61 1.01 -1.22 -4.71 116.67 117.03 3k4m s ASP 307 Ca 0.00 2.14 0.04 0.00 0.71 0.00 0.00 52.55 55.43 3k4m s ASP 307 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3k4m s ASP 307 CO 0.00 -1.56 -0.23 -0.13 0.21 0.00 0.00 175.17 173.46 3k4m s ARG 308 N -3.73 3.00 0.48 8.23 0.52 -1.26 -0.50 118.95 125.69 3k4m s ARG 308 Ca 0.71 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3k4m s ARG 308 Cb -0.24 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 3k4m s ARG 308 CO 0.36 0.13 0.02 -0.06 0.02 0.00 0.00 175.30 175.77 3k4m s PHE 309 N 0.47 2.04 -0.14 -0.53 0.08 -0.16 -4.96 117.98 114.78 3k4m s PHE 309 Ca -0.16 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.04 3k4m s PHE 309 Cb -0.17 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3k4m s PHE 309 CO 0.06 0.27 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.26 3k4m s GLU 310 N -3.85 2.71 -0.10 0.44 2.12 -1.26 -2.28 118.70 116.48 3k4m s GLU 310 Ca 0.15 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.72 3k4m s GLU 310 Cb 0.04 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 3k4m s GLU 310 CO 0.08 -0.09 0.01 0.42 -0.54 0.00 0.00 175.26 175.13 3k4m s ILE 311 N 1.03 4.35 -0.07 -3.70 -1.09 0.23 -4.90 121.20 117.04 3k4m s ILE 311 Ca -0.03 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3k4m s ILE 311 Cb -0.15 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 3k4m s ILE 311 CO -0.05 0.58 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.30 3k4m s LYS 312 N -0.66 2.75 0.13 2.79 2.47 -1.26 -0.96 119.74 124.99 3k4m s LYS 312 Ca 0.11 -0.79 -0.17 0.00 -1.56 0.00 0.00 55.97 53.55 3k4m s LYS 312 Cb -0.12 -2.34 0.04 0.00 -1.46 0.00 0.00 37.83 33.95 3k4m s LYS 312 CO 0.02 0.41 0.43 0.00 0.16 0.00 0.00 175.35 176.37 3k4m s ALA 313 N -0.20 -1.04 0.13 3.13 0.00 -1.26 -1.66 121.76 120.86 3k4m s ALA 313 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 3k4m s ALA 313 Cb -0.13 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3k4m s ALA 313 CO 0.03 -0.65 1.48 -0.44 0.00 0.00 0.00 175.76 176.18 3k4m h ASP 314 N 2.34 0.93 -3.69 0.00 3.32 -1.16 -3.46 116.42 114.70 3k4m h ASP 314 Ca -0.34 -0.44 -0.50 0.00 0.02 0.00 0.00 57.03 55.77 3k4m h ASP 314 Cb 1.26 -0.26 -0.32 0.00 0.22 0.00 0.00 39.33 40.23 3k4m h ASP 314 CO 0.45 1.17 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.65 3k4m s VAL 315 N -4.49 1.09 -0.15 -1.35 1.01 -0.20 -4.82 120.40 111.49 3k4m s VAL 315 Ca -0.12 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3k4m s VAL 315 Cb 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3k4m s VAL 315 CO 0.86 0.33 -0.19 -0.31 0.00 0.00 0.00 175.10 175.79 3k4m s TYR 316 N 0.33 2.57 -0.18 5.22 1.51 -0.02 -0.99 117.35 125.79 3k4m s TYR 316 Ca -0.07 -1.40 0.01 0.00 -1.01 0.00 0.00 57.07 54.59 3k4m s TYR 316 Cb -0.12 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3k4m s TYR 316 CO 0.02 -0.68 -0.18 0.08 -1.11 0.00 0.00 175.55 173.68 3k4m s VAL 317 N 1.11 1.97 -0.40 0.71 1.01 0.00 -0.93 120.40 123.87 3k4m s VAL 317 Ca -0.01 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3k4m s VAL 317 Cb -0.14 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3k4m s VAL 317 CO -0.07 0.48 0.32 -0.76 0.00 0.00 0.00 175.10 175.06 3k4m s LEU 318 N 1.32 4.94 -0.40 3.92 1.43 0.14 0.81 118.68 130.84 3k4m s LEU 318 Ca 0.04 -0.76 0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3k4m s LEU 318 Cb -0.13 -2.20 0.42 0.00 0.03 0.00 0.00 46.19 44.31 3k4m s LEU 318 CO -0.12 -0.43 1.00 0.35 0.23 0.00 0.00 176.35 177.38 3k4m n THR 319 N 5.20 1.66 -0.13 5.49 -2.24 0.19 -1.05 114.28 123.40 3k4m n THR 319 Ca -0.11 -4.19 0.06 0.00 -2.27 0.00 0.00 64.05 57.55 3k4m n THR 319 Cb 0.48 -0.40 0.27 0.00 -2.10 0.00 0.00 70.33 68.58 3k4m n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n ALA 320 N -0.23 3.10 0.00 6.98 0.00 -1.12 -4.37 120.51 124.87 3k4m n ALA 320 Ca 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3k4m n ALA 320 Cb 0.70 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3k4m n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 321 N 0.80 -0.14 0.28 0.00 0.00 -1.26 -4.07 105.19 100.80 3k4m n GLY 321 Ca 0.19 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 3k4m n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h ALA 322 N 0.00 0.82 0.12 4.61 0.00 -1.91 0.43 119.26 123.33 3k4m h ALA 322 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3k4m h ALA 322 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3k4m h ALA 322 CO 0.00 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 180.12 3k4m h VAL 323 N 0.79 0.52 0.00 0.00 2.07 -1.95 -3.31 116.25 114.37 3k4m h VAL 323 Ca 0.12 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3k4m h VAL 323 Cb 0.71 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3k4m h VAL 323 CO 0.05 0.16 -0.15 0.45 0.02 0.00 0.00 177.57 178.11 3k4m h HIS 324 N -0.99 0.00 -0.30 1.57 -0.00 -1.69 -1.41 115.15 112.33 3k4m h HIS 324 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.26 3k4m h HIS 324 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 3k4m h HIS 324 CO 0.07 0.15 -0.17 -0.91 -0.00 0.00 0.00 177.93 177.07 3k4m h ASN 325 N 0.00 0.66 -0.73 2.45 2.35 -1.07 -1.27 115.58 117.97 3k4m h ASN 325 Ca -0.00 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 3k4m h ASN 325 Cb 0.45 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 3k4m h ASN 325 CO 0.02 0.93 0.41 0.74 -1.65 0.00 0.00 177.43 177.89 3k4m h THR 326 N 0.38 1.22 -0.11 2.81 2.02 -1.38 -0.40 112.91 117.45 3k4m h THR 326 Ca 0.06 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 3k4m h THR 326 Cb 0.70 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3k4m h THR 326 CO 0.05 0.24 -0.29 -0.61 0.37 0.00 0.00 175.52 175.27 3k4m h GLN 327 N 1.03 0.40 -0.76 6.66 4.15 -1.07 -1.11 115.11 124.41 3k4m h GLN 327 Ca 0.26 -0.28 0.06 0.00 0.77 0.00 0.00 58.65 59.47 3k4m h GLN 327 Cb 0.01 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3k4m h GLN 327 CO -0.04 0.89 0.45 1.25 -1.93 0.00 0.00 178.83 179.45 3k4m h LEU 328 N -0.03 0.69 0.06 -2.39 5.85 -1.03 0.12 115.31 118.58 3k4m h LEU 328 Ca -0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3k4m h LEU 328 Cb 0.91 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3k4m h LEU 328 CO 0.06 0.44 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.50 3k4m h LEU 329 N 0.82 -0.07 -1.65 2.25 3.38 -0.98 -2.60 115.31 116.47 3k4m h LEU 329 Ca 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3k4m h LEU 329 Cb 0.18 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3k4m h LEU 329 CO -0.18 0.16 -0.19 0.58 0.09 0.00 0.00 178.44 178.90 3k4m h VAL 330 N -0.30 1.06 0.00 1.22 2.07 -1.11 -0.95 116.25 118.25 3k4m h VAL 330 Ca -0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3k4m h VAL 330 Cb 0.26 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3k4m h VAL 330 CO 0.01 0.19 0.00 -3.20 0.02 0.00 0.00 177.57 174.59 3k4m n ASN 331 N -4.20 0.29 -0.90 0.57 5.15 0.42 -2.45 115.26 114.15 3k4m n ASN 331 Ca -0.02 0.55 0.12 0.00 -0.60 0.00 0.00 54.58 54.62 3k4m n ASN 331 Cb 0.26 -0.62 0.09 0.00 -0.53 0.00 0.00 39.78 38.98 3k4m n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4m n SER 332 N -1.80 2.86 0.00 1.20 7.64 -0.41 -4.87 113.62 118.25 3k4m n SER 332 Ca 0.05 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.99 3k4m n SER 332 Cb 0.28 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3k4m n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 333 N 1.31 0.86 3.86 0.23 0.00 -1.03 -4.80 105.19 105.63 3k4m n GLY 333 Ca 0.13 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3k4m n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 334 N -2.00 3.40 0.00 1.61 0.40 -0.89 -4.59 117.98 115.91 3k4m s PHE 334 Ca 0.00 1.06 0.00 0.00 -0.60 0.00 0.00 56.93 57.39 3k4m s PHE 334 Cb 0.00 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 41.12 3k4m s PHE 334 CO 0.00 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.50 3k4m n GLY 335 N -0.29 -0.02 3.24 4.36 0.00 -0.13 -3.92 105.19 108.43 3k4m n GLY 335 Ca 0.02 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3k4m n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4m s GLN 336 N 0.00 2.73 0.17 1.61 0.74 -1.26 -4.63 119.66 119.01 3k4m s GLN 336 Ca 0.00 -0.88 -0.15 0.00 0.05 0.00 0.00 55.36 54.39 3k4m s GLN 336 Cb 0.00 -2.19 -0.07 0.00 1.10 0.00 0.00 33.01 31.85 3k4m s GLN 336 CO 0.00 0.28 0.59 -1.17 -0.55 0.00 0.00 175.29 174.44 3k4m s LEU 337 N 0.08 4.31 0.00 3.68 2.96 -1.26 -4.68 118.68 123.77 3k4m s LEU 337 Ca -0.11 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 3k4m s LEU 337 Cb -0.16 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3k4m s LEU 337 CO 0.06 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 3k4m n GLY 338 N 0.67 0.14 3.74 7.98 0.00 0.19 -4.88 105.19 113.02 3k4m n GLY 338 Ca -0.04 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3k4m n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4m n ARG 339 N 0.11 2.58 -1.54 1.61 0.63 -1.26 -4.44 116.66 114.35 3k4m n ARG 339 Ca 0.00 0.92 -0.52 0.00 -0.92 0.00 0.00 57.85 57.33 3k4m n ARG 339 Cb 0.00 -2.66 -0.07 0.00 0.45 0.00 0.00 32.46 30.18 3k4m n ARG 339 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3k4m n PRO 340 N 1.76 1.30 -3.95 -0.14 -0.02 -1.26 -4.95 135.00 127.74 3k4m n PRO 340 Ca 0.07 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 3k4m n PRO 340 Cb 0.36 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 3k4m n PRO 340 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3k4m s ASN 341 N 6.01 4.84 0.46 2.55 3.04 -1.26 -4.97 114.94 125.62 3k4m s ASN 341 Ca 1.04 -2.24 0.13 0.00 0.04 0.00 0.00 52.86 51.83 3k4m s ASN 341 Cb -0.86 -1.68 1.06 0.00 -1.54 0.00 0.00 41.25 38.23 3k4m s ASN 341 CO 0.53 -0.40 2.06 1.55 -3.04 0.00 0.00 177.10 177.80 3k4m h PRO 342 N 7.57 0.12 -1.70 0.43 0.13 -2.01 -2.90 132.00 133.65 3k4m h PRO 342 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3k4m h PRO 342 Cb 1.01 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3k4m h PRO 342 CO 0.58 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 3k4m n ALA 343 N -2.51 3.05 0.00 -0.56 0.00 -1.26 -3.77 120.51 115.45 3k4m n ALA 343 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3k4m n ALA 343 Cb 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3k4m n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4m n ASN 344 N 1.22 0.00 -4.77 0.00 2.85 -1.09 -5.14 115.26 108.33 3k4m n ASN 344 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 3k4m n ASN 344 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3k4m s PRO 345 N 0.00 3.75 0.53 1.20 0.04 -1.25 -4.81 135.00 134.46 3k4m s PRO 345 Ca 0.00 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 3k4m s PRO 345 Cb 0.00 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 3k4m s PRO 345 CO 0.00 -0.62 1.03 -1.25 0.04 0.00 0.00 177.00 176.20 3k4m s PRO 346 N -2.54 3.69 0.11 0.56 0.04 -1.26 -4.99 135.00 130.60 3k4m s PRO 346 Ca 0.62 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 3k4m s PRO 346 Cb -0.34 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 3k4m s PRO 346 CO 0.42 -0.51 1.61 1.49 0.04 0.00 0.00 177.00 180.05 3k4m h GLU 347 N 1.06 -0.63 -6.33 4.56 4.81 -1.90 -3.43 114.58 112.72 3k4m h GLU 347 Ca -0.48 0.04 -0.69 0.00 -0.13 0.00 0.00 59.36 58.11 3k4m h GLU 347 Cb 1.21 0.14 -0.21 0.00 0.63 0.00 0.00 28.75 30.53 3k4m h GLU 347 CO 0.59 -0.42 -0.75 -0.51 -0.73 0.00 0.00 179.01 177.19 3k4m s LEU 348 N -10.25 2.89 -1.02 1.64 1.43 -1.26 -4.83 118.68 107.28 3k4m s LEU 348 Ca -0.16 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 3k4m s LEU 348 Cb 0.07 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3k4m s LEU 348 CO 0.64 0.32 0.75 0.18 0.23 0.00 0.00 176.35 178.46 3k4m n LEU 349 N 1.99 -3.28 0.19 1.79 4.77 -1.26 -0.96 117.00 120.24 3k4m n LEU 349 Ca -0.17 -0.86 0.14 0.00 -0.03 0.00 0.00 56.01 55.09 3k4m n LEU 349 Cb 0.52 -2.40 0.68 0.00 -2.33 0.00 0.00 43.42 39.90 3k4m n LEU 349 CO 0.27 0.21 0.91 1.55 -1.33 0.00 0.00 177.39 178.99 3k4m h PRO 350 N -1.25 0.00 -0.01 3.23 0.13 -1.88 -2.67 132.00 129.56 3k4m h PRO 350 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3k4m h PRO 350 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3k4m h PRO 350 CO 0.43 0.00 -0.26 0.43 -0.23 0.00 0.00 178.00 178.37 3k4m n SER 351 N -2.45 1.07 -4.68 1.44 7.64 -1.26 -4.84 113.62 110.54 3k4m n SER 351 Ca -0.01 -0.92 -0.45 0.00 1.01 0.00 0.00 58.87 58.50 3k4m n SER 351 Cb 0.10 0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3k4m n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4m n LEU 352 N -0.61 3.60 0.00 -3.43 7.94 -1.01 -1.29 117.00 122.21 3k4m n LEU 352 Ca 0.12 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 3k4m n LEU 352 Cb 0.35 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.83 3k4m n LEU 352 CO 0.26 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 3k4m n GLY 353 N 3.95 0.51 3.93 -3.96 0.00 0.56 -4.84 105.19 105.33 3k4m n GLY 353 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3k4m n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m s SER 354 N -2.41 5.58 -1.64 1.61 0.01 -0.41 -0.49 113.70 115.96 3k4m s SER 354 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 3k4m s SER 354 Cb 0.00 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.23 3k4m s SER 354 CO 0.00 -0.46 0.00 -1.22 0.41 0.00 0.00 173.24 171.97 3k4m n TYR 355 N -1.55 -0.55 -2.00 2.43 4.02 -0.82 -4.60 117.16 114.09 3k4m n TYR 355 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3k4m n TYR 355 Cb 0.59 -3.34 0.01 0.00 -0.02 0.00 0.00 39.34 36.58 3k4m n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4m s ILE 356 N -2.80 2.52 0.00 -0.72 -4.36 -0.81 -4.50 121.20 110.54 3k4m s ILE 356 Ca 0.00 0.42 0.06 0.00 -0.26 0.00 0.00 60.65 60.87 3k4m s ILE 356 Cb 0.00 -3.22 -0.02 0.00 1.25 0.00 0.00 42.46 40.47 3k4m s ILE 356 CO 0.00 0.02 -0.18 0.42 0.24 0.00 0.00 174.94 175.44 3k4m s THR 357 N -1.36 1.44 -0.05 8.37 -4.23 -0.31 -4.55 115.64 114.95 3k4m s THR 357 Ca 0.65 -0.86 -0.05 0.00 -1.18 0.00 0.00 61.69 60.24 3k4m s THR 357 Cb -0.36 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.27 3k4m s THR 357 CO 0.45 0.33 0.13 -0.70 -0.54 0.00 0.00 174.62 174.29 3k4m s GLU 358 N -0.62 0.17 0.30 3.99 2.56 -1.26 -0.99 118.70 122.85 3k4m s GLU 358 Ca 0.07 0.16 -0.29 0.00 0.00 0.00 0.00 54.97 54.91 3k4m s GLU 358 Cb -0.07 0.08 -0.09 0.00 2.00 0.00 0.00 34.13 36.04 3k4m s GLU 358 CO -0.00 -0.02 1.11 -0.65 -0.56 0.00 0.00 175.26 175.13 3k4m s GLN 359 N 0.00 4.55 0.30 4.30 -0.21 -1.26 -4.63 119.66 122.72 3k4m s GLN 359 Ca -0.01 1.80 -0.29 0.00 0.02 0.00 0.00 55.36 56.88 3k4m s GLN 359 Cb -0.01 -3.10 -0.10 0.00 1.00 0.00 0.00 33.01 30.80 3k4m s GLN 359 CO 0.00 0.13 1.39 -1.12 -2.12 0.00 0.00 175.29 173.57 3k4m s SER 360 N -0.94 6.67 -0.14 5.90 0.01 -1.26 -4.64 113.70 119.31 3k4m s SER 360 Ca 0.46 2.72 -0.02 0.00 1.31 0.00 0.00 55.95 60.43 3k4m s SER 360 Cb -0.31 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.32 3k4m s SER 360 CO 0.40 -0.65 -0.00 -0.22 0.41 0.00 0.00 173.24 173.18 3k4m s LEU 361 N -1.23 1.04 0.09 2.44 2.96 -1.26 0.67 118.68 123.39 3k4m s LEU 361 Ca 0.54 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 3k4m s LEU 361 Cb -0.41 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 3k4m s LEU 361 CO 0.50 -0.23 -0.00 0.68 -1.32 0.00 0.00 176.35 175.98 3k4m s VAL 362 N 1.85 4.00 -0.00 1.68 -7.23 -0.91 -0.50 120.40 119.28 3k4m s VAL 362 Ca 0.02 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.09 3k4m s VAL 362 Cb -0.15 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.90 3k4m s VAL 362 CO -0.07 0.12 0.19 0.12 -0.31 0.00 0.00 175.10 175.15 3k4m s PHE 363 N -1.31 -0.04 0.26 2.82 5.36 -0.45 -1.85 117.98 122.78 3k4m s PHE 363 Ca 0.26 0.01 -0.21 0.00 -0.96 0.00 0.00 56.93 56.03 3k4m s PHE 363 Cb -0.12 0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.59 3k4m s PHE 363 CO 0.18 -0.32 0.70 0.00 -1.46 0.00 0.00 175.22 174.33 3k4m s GLN 365 N -3.90 1.76 0.18 0.00 -0.21 -0.02 -0.78 119.66 116.69 3k4m s GLN 365 Ca 0.10 -1.48 0.08 0.00 0.02 0.00 0.00 55.36 54.08 3k4m s GLN 365 Cb -0.05 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 3k4m s GLN 365 CO 0.04 0.40 -0.16 0.95 -2.12 0.00 0.00 175.29 174.40 3k4m s THR 366 N -1.85 1.76 -0.21 -0.19 -4.23 0.48 -0.81 115.64 110.60 3k4m s THR 366 Ca 0.24 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 3k4m s THR 366 Cb -0.08 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 3k4m s THR 366 CO 0.13 -0.46 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.03 3k4m s VAL 367 N -2.51 3.64 0.23 2.29 1.01 -0.47 -1.51 120.40 123.08 3k4m s VAL 367 Ca 0.19 -0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 3k4m s VAL 367 Cb -0.03 -2.65 -0.13 0.00 0.00 0.00 0.00 36.38 33.58 3k4m s VAL 367 CO 0.07 0.43 1.57 0.80 0.00 0.00 0.00 175.10 177.97 3k4m n MET 368 N 4.48 2.42 -1.84 2.72 1.56 0.15 -3.60 117.12 123.02 3k4m n MET 368 Ca -0.18 0.87 -0.35 0.00 -0.27 0.00 0.00 57.70 57.77 3k4m n MET 368 Cb 0.51 -2.63 0.05 0.00 2.15 0.00 0.00 33.22 33.30 3k4m n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4m s SER 369 N 0.68 4.99 0.14 6.12 1.04 -0.14 -4.84 113.70 121.70 3k4m s SER 369 Ca 0.71 2.27 -0.24 0.00 0.48 0.00 0.00 55.95 59.17 3k4m s SER 369 Cb -0.58 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.96 3k4m s SER 369 CO 0.43 -1.72 1.62 0.74 0.98 0.00 0.00 173.24 175.29 3k4m h THR 370 N 0.45 0.36 -0.43 2.02 2.02 -1.90 -1.53 112.91 113.90 3k4m h THR 370 Ca -0.49 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.78 3k4m h THR 370 Cb 1.28 0.36 -0.09 0.00 -1.74 0.00 0.00 68.15 67.96 3k4m h THR 370 CO 0.54 0.00 -0.21 -0.33 0.37 0.00 0.00 175.52 175.88 3k4m h GLU 371 N -0.31 -0.13 -0.90 6.66 5.08 -1.97 0.12 114.58 123.13 3k4m h GLU 371 Ca 0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3k4m h GLU 371 Cb 0.49 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3k4m h GLU 371 CO -0.36 -0.08 0.56 -0.07 -1.00 0.00 0.00 179.01 178.06 3k4m h LEU 372 N -0.13 1.07 -0.49 1.33 3.38 -1.72 -1.31 115.31 117.44 3k4m h LEU 372 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3k4m h LEU 372 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3k4m h LEU 372 CO -0.51 0.80 0.14 0.40 0.09 0.00 0.00 178.44 179.36 3k4m h ILE 373 N 1.23 1.23 -0.73 1.22 1.08 -0.28 -2.30 117.51 118.97 3k4m h ILE 373 Ca 0.33 -0.80 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 3k4m h ILE 373 Cb -0.09 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 3k4m h ILE 373 CO -0.06 0.29 0.35 0.44 -0.69 0.00 0.00 178.15 178.47 3k4m h ASP 374 N 0.67 0.96 -0.81 1.72 3.32 -0.59 -2.31 116.42 119.37 3k4m h ASP 374 Ca 0.16 -0.14 0.16 0.00 0.02 0.00 0.00 57.03 57.23 3k4m h ASP 374 Cb 0.30 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.50 3k4m h ASP 374 CO -0.00 0.83 0.35 0.77 -1.72 0.00 0.00 179.24 179.47 3k4m h SER 375 N 1.02 0.35 -1.22 6.45 4.64 -0.71 0.84 113.55 124.92 3k4m h SER 375 Ca 0.25 0.12 0.35 0.00 -0.47 0.00 0.00 61.79 62.04 3k4m h SER 375 Cb 0.13 0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.22 3k4m h SER 375 CO -0.03 0.11 0.85 0.58 -0.87 0.00 0.00 176.83 177.46 3k4m h VAL 376 N 0.48 0.38 -0.12 0.95 2.07 -0.91 0.42 116.25 119.52 3k4m h VAL 376 Ca 0.46 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.89 3k4m h VAL 376 Cb 0.74 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3k4m h VAL 376 CO -0.43 0.02 -0.22 2.29 0.02 0.00 0.00 177.57 179.25 3k4m n LYS 377 N -4.34 1.72 0.23 1.57 2.85 0.26 -4.76 118.16 115.69 3k4m n LYS 377 Ca 0.28 -3.06 0.09 0.00 -1.05 0.00 0.00 58.31 54.57 3k4m n LYS 377 Cb 1.22 -1.67 0.56 0.00 -0.65 0.00 0.00 35.03 34.49 3k4m n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4m h SER 378 N 0.85 0.00 -0.01 -5.58 4.64 -0.58 -2.72 113.55 110.16 3k4m h SER 378 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3k4m h SER 378 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3k4m h SER 378 CO 0.12 0.22 -0.01 0.47 -0.87 0.00 0.00 176.83 176.76 3k4m n ASP 379 N -3.72 1.61 -4.78 4.97 8.00 -1.26 -4.93 116.55 116.43 3k4m n ASP 379 Ca -0.01 -1.52 -0.37 0.00 0.71 0.00 0.00 54.79 53.60 3k4m n ASP 379 Cb 0.33 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3k4m n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4m s MET 380 N -2.02 4.57 -0.13 -1.24 -1.94 -1.03 -4.61 119.30 112.91 3k4m s MET 380 Ca 0.37 1.31 -0.03 0.00 -1.71 0.00 0.00 55.69 55.63 3k4m s MET 380 Cb 0.21 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 3k4m s MET 380 CO 0.34 0.29 -0.04 0.99 -0.01 0.00 0.00 175.02 176.59 3k4m s THR 381 N -1.60 3.87 -0.07 2.05 2.01 0.12 -4.95 115.64 117.08 3k4m s THR 381 Ca 0.50 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.13 3k4m s THR 381 Cb -0.19 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.67 3k4m s THR 381 CO 0.24 0.52 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.98 3k4m s ILE 382 N 0.04 0.84 -0.04 1.82 1.01 -1.26 -0.68 121.20 122.93 3k4m s ILE 382 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 3k4m s ILE 382 Cb -0.13 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.53 3k4m s ILE 382 CO 0.03 0.30 0.06 -0.13 0.00 0.00 0.00 174.94 175.20 3k4m s ARG 383 N 1.07 -0.04 0.00 2.79 0.52 -0.19 -5.01 118.95 118.09 3k4m s ARG 383 Ca -0.08 0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3k4m s ARG 383 Cb -0.14 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.78 3k4m s ARG 383 CO -0.01 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.39 3k4m n GLY 384 N 5.29 0.96 3.72 -3.53 0.00 -1.26 -0.99 105.19 109.37 3k4m n GLY 384 Ca -0.03 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 3k4m n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4m s THR 385 N -1.30 4.94 0.03 2.61 2.01 -1.26 -4.91 115.64 117.76 3k4m s THR 385 Ca 0.00 1.63 -0.34 0.00 0.31 0.00 0.00 61.69 63.28 3k4m s THR 385 Cb 0.00 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.26 3k4m s THR 385 CO 0.00 0.25 1.73 -2.65 -0.69 0.00 0.00 174.62 173.26 3k4m n PRO 386 N 3.60 2.14 0.00 4.92 -0.02 -1.26 -2.49 135.00 141.89 3k4m n PRO 386 Ca 0.00 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3k4m n PRO 386 Cb 0.51 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3k4m n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 387 N 3.91 3.14 3.81 -1.23 0.00 -1.26 -4.94 105.19 108.61 3k4m n GLY 387 Ca 0.20 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 3k4m n GLY 387 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k4m s GLU 388 N 0.00 2.73 0.01 1.61 -1.05 -1.04 -4.96 118.70 116.00 3k4m s GLU 388 Ca 0.00 0.94 0.26 0.00 -0.15 0.00 0.00 54.97 56.02 3k4m s GLU 388 Cb 0.00 -1.97 1.10 0.00 -0.44 0.00 0.00 34.13 32.82 3k4m s GLU 388 CO 0.00 -1.25 1.83 -0.11 0.95 0.00 0.00 175.26 176.68 3k4m n LEU 389 N -3.23 0.03 -0.21 1.83 7.94 -1.26 -2.44 117.00 119.66 3k4m n LEU 389 Ca 0.08 0.50 0.14 0.00 -1.11 0.00 0.00 56.01 55.62 3k4m n LEU 389 Cb 0.54 -0.50 0.54 0.00 0.53 0.00 0.00 43.42 44.54 3k4m n LEU 389 CO 0.56 -0.06 0.82 0.35 -1.11 0.00 0.00 177.39 177.94 3k4m n THR 390 N -1.53 0.00 -2.30 1.96 -2.24 -1.26 -4.90 114.28 104.01 3k4m n THR 390 Ca 0.06 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3k4m n THR 390 Cb 0.31 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 3k4m n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4m s TYR 391 N -2.37 3.35 -0.09 4.78 5.04 -1.02 -4.56 117.35 122.48 3k4m s TYR 391 Ca 0.30 1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 56.09 3k4m s TYR 391 Cb 0.20 -3.53 0.04 0.00 0.35 0.00 0.00 41.96 39.02 3k4m s TYR 391 CO 0.46 -1.70 0.21 0.45 -1.34 0.00 0.00 175.55 173.63 3k4m s SER 392 N 0.77 -0.21 -0.16 4.32 0.15 -0.16 -5.01 113.70 113.39 3k4m s SER 392 Ca 0.59 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.69 3k4m s SER 392 Cb -0.34 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 3k4m s SER 392 CO 0.32 -0.15 -0.15 -0.69 1.20 0.00 0.00 173.24 173.77 3k4m s VAL 393 N 1.13 1.68 0.15 4.45 1.01 -1.25 -1.02 120.40 126.55 3k4m s VAL 393 Ca -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3k4m s VAL 393 Cb -0.10 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3k4m s VAL 393 CO -0.07 0.45 0.03 0.42 0.00 0.00 0.00 175.10 175.92 3k4m s THR 394 N 1.44 0.41 0.10 3.92 -4.23 0.14 -4.94 115.64 112.48 3k4m s THR 394 Ca 0.04 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 3k4m s THR 394 Cb -0.13 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.65 3k4m s THR 394 CO -0.11 -0.48 0.32 -0.72 -0.54 0.00 0.00 174.62 173.09 3k4m s TYR 395 N -3.84 -0.08 -0.43 3.99 1.13 -1.26 0.16 117.35 117.02 3k4m s TYR 395 Ca 0.24 -0.23 -0.08 0.00 -1.41 0.00 0.00 57.07 55.58 3k4m s TYR 395 Cb 0.07 0.13 0.09 0.00 -1.10 0.00 0.00 41.96 41.15 3k4m s TYR 395 CO 0.03 -0.61 0.27 0.99 -2.51 0.00 0.00 175.55 173.71 3k4m s THR 396 N -3.55 4.11 0.29 -3.49 2.01 -1.26 -5.05 115.64 108.69 3k4m s THR 396 Ca 0.02 -1.54 -0.30 0.00 0.31 0.00 0.00 61.69 60.17 3k4m s THR 396 Cb 0.02 -3.58 -0.12 0.00 0.01 0.00 0.00 72.50 68.83 3k4m s THR 396 CO -0.10 -0.58 1.59 -2.65 -0.69 0.00 0.00 174.62 172.19 3k4m n PRO 397 N 4.88 2.66 0.00 4.92 -0.02 -1.26 -1.18 135.00 145.00 3k4m n PRO 397 Ca -0.09 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3k4m n PRO 397 Cb 0.42 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3k4m n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 398 N 2.22 2.12 3.54 -1.23 0.00 -1.26 -4.98 105.19 105.59 3k4m n GLY 398 Ca 0.09 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.61 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 399 N -0.69 -1.47 0.02 4.61 0.00 -0.32 -4.76 120.51 117.90 3k4m n ALA 399 Ca 0.00 0.47 0.10 0.00 0.00 0.00 0.00 53.44 54.01 3k4m n ALA 399 Cb 0.00 -1.92 0.53 0.00 0.00 0.00 0.00 19.45 18.06 3k4m n ALA 399 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m h SER 400 N 2.76 0.27 0.44 0.00 4.64 -1.93 -2.52 113.55 117.21 3k4m h SER 400 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3k4m h SER 400 Cb 1.37 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3k4m h SER 400 CO 0.66 0.18 -0.23 0.35 -0.87 0.00 0.00 176.83 176.92 3k4m n THR 401 N -4.47 0.00 -1.64 2.95 -2.24 -1.26 -4.90 114.28 102.72 3k4m n THR 401 Ca 0.05 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3k4m n THR 401 Cb 0.26 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3k4m n THR 401 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k4m n ASN 402 N -1.07 1.76 0.01 3.42 4.13 -0.95 -4.92 115.26 117.63 3k4m n ASN 402 Ca 0.11 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.49 3k4m n ASN 402 Cb 0.32 -1.39 -0.10 0.00 -1.54 0.00 0.00 39.78 37.07 3k4m n ASN 402 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3k4m n LYS 403 N 0.35 0.64 -4.42 3.52 4.76 -1.26 -4.97 118.16 116.77 3k4m n LYS 403 Ca 0.08 0.13 -0.21 0.00 -2.87 0.00 0.00 58.31 55.44 3k4m n LYS 403 Cb 0.37 -1.72 -0.10 0.00 -1.84 0.00 0.00 35.03 31.73 3k4m n LYS 403 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3k4m s HIS 404 N -2.95 1.92 0.81 2.13 3.76 -1.26 -5.13 115.29 114.57 3k4m s HIS 404 Ca -0.05 -0.73 -0.11 0.00 -0.15 0.00 0.00 55.06 54.03 3k4m s HIS 404 Cb 0.09 -1.10 0.08 0.00 1.11 0.00 0.00 32.58 32.76 3k4m s HIS 404 CO 0.83 0.25 1.11 -2.14 -0.85 0.00 0.00 174.74 173.94 3k4m s PRO 405 N -3.74 1.86 0.29 8.40 0.02 -1.26 -4.78 135.00 135.79 3k4m s PRO 405 Ca 0.30 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3k4m s PRO 405 Cb 0.04 -1.84 0.50 0.00 0.02 0.00 0.00 34.50 33.22 3k4m s PRO 405 CO 0.12 -1.96 1.88 -0.44 -0.33 0.00 0.00 177.00 176.27 3k4m h ASP 406 N -1.31 0.95 -0.35 2.53 5.19 -1.99 -1.92 116.42 119.51 3k4m h ASP 406 Ca -0.44 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.05 3k4m h ASP 406 Cb 1.25 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 3k4m h ASP 406 CO 0.48 0.58 0.24 4.11 -3.12 0.00 0.00 179.24 181.53 3k4m h TRP 407 N 1.06 0.25 0.00 4.55 5.08 -1.99 0.60 115.95 125.50 3k4m h TRP 407 Ca 0.43 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 60.36 3k4m h TRP 407 Cb 0.27 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 26.34 3k4m h TRP 407 CO -0.00 0.14 -0.31 2.35 -1.28 0.00 0.00 178.44 179.33 3k4m h TRP 408 N 0.25 0.00 0.00 0.12 2.91 -1.73 -2.89 115.95 114.61 3k4m h TRP 408 Ca 0.16 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 3k4m h TRP 408 Cb 0.30 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 3k4m h TRP 408 CO -0.00 0.86 -0.17 -0.91 -1.03 0.00 0.00 178.44 177.18 3k4m h ASN 409 N -1.00 0.00 -0.34 2.65 2.35 -1.12 -1.34 115.58 116.79 3k4m h ASN 409 Ca -0.08 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 3k4m h ASN 409 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3k4m h ASN 409 CO -0.05 0.17 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.54 3k4m h GLU 410 N 0.00 0.85 -0.47 0.81 4.57 -0.99 -0.99 114.58 118.36 3k4m h GLU 410 Ca -0.00 -0.39 -0.13 0.00 -1.18 0.00 0.00 59.36 57.66 3k4m h GLU 410 Cb 0.37 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3k4m h GLU 410 CO 0.02 1.03 -0.20 0.87 -1.18 0.00 0.00 179.01 179.56 3k4m h LYS 411 N 0.73 0.97 -0.39 1.92 1.57 -1.08 -2.11 116.57 118.18 3k4m h LYS 411 Ca 0.08 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3k4m h LYS 411 Cb 0.84 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3k4m h LYS 411 CO 0.07 1.08 0.06 0.28 -0.57 0.00 0.00 179.45 180.37 3k4m h VAL 412 N 0.82 1.24 -0.11 0.50 2.07 -1.24 -2.06 116.25 117.47 3k4m h VAL 412 Ca 0.11 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3k4m h VAL 412 Cb 0.77 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3k4m h VAL 412 CO 0.06 0.29 0.05 0.50 0.02 0.00 0.00 177.57 178.50 3k4m h LYS 413 N 0.48 0.16 -0.30 1.57 3.64 -1.14 -0.41 116.57 120.56 3k4m h LYS 413 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3k4m h LYS 413 Cb 0.37 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3k4m h LYS 413 CO 0.01 0.22 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.46 3k4m h ASN 414 N 0.06 0.45 -0.14 4.20 2.35 -1.37 -0.66 115.58 120.47 3k4m h ASN 414 Ca 0.04 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3k4m h ASN 414 Cb 0.12 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3k4m h ASN 414 CO -0.00 0.55 -0.27 -0.74 -1.65 0.00 0.00 177.43 175.31 3k4m h HIS 415 N 0.46 0.54 -0.18 1.19 2.76 -1.06 0.00 115.15 118.87 3k4m h HIS 415 Ca 0.10 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 57.99 3k4m h HIS 415 Cb 0.36 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3k4m h HIS 415 CO 0.01 0.89 -0.26 0.52 -1.30 0.00 0.00 177.93 177.80 3k4m h MET 416 N 0.03 0.33 0.03 5.26 2.86 -0.84 -0.78 114.93 121.82 3k4m h MET 416 Ca 0.01 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 3k4m h MET 416 Cb 0.86 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.51 3k4m h MET 416 CO 0.06 0.57 -0.42 0.52 1.06 0.00 0.00 176.91 178.70 3k4m h MET 417 N 0.29 0.23 0.00 1.72 2.07 -1.10 -3.30 114.93 114.85 3k4m h MET 417 Ca 0.04 -0.29 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 3k4m h MET 417 Cb 0.62 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 3k4m h MET 417 CO 0.04 1.05 0.00 1.96 1.07 0.00 0.00 176.91 181.03 3k4m h GLN 418 N -0.45 0.00 -2.04 1.72 1.08 -0.85 -3.35 115.11 111.22 3k4m h GLN 418 Ca -0.06 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.57 3k4m h GLN 418 Cb 1.22 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.26 3k4m h GLN 418 CO 0.08 0.00 -1.05 0.72 -0.95 0.00 0.00 178.83 177.63 3k4m n HIS 419 N -2.62 0.04 1.87 2.96 8.25 -0.31 -4.94 115.22 120.47 3k4m n HIS 419 Ca 0.03 -3.62 0.14 0.00 -0.26 0.00 0.00 57.72 54.02 3k4m n HIS 419 Cb 0.36 -0.35 0.78 0.00 1.12 0.00 0.00 29.99 31.90 3k4m n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4m n GLN 420 N 1.41 1.15 0.00 -0.41 6.02 -1.24 -1.04 117.38 123.27 3k4m n GLN 420 Ca 0.22 -0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.10 3k4m n GLN 420 Cb 0.51 -1.46 0.16 0.00 1.02 0.00 0.00 30.24 30.48 3k4m n GLN 420 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3k4m n GLU 421 N -0.69 0.20 -3.53 -1.09 0.00 -1.26 -4.40 120.64 109.86 3k4m n GLU 421 Ca 0.21 -0.13 -0.37 0.00 0.00 0.00 0.00 57.16 56.87 3k4m n GLU 421 Cb 0.16 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.03 3k4m n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4m s ASP 422 N -2.89 6.53 0.00 -1.84 2.15 -0.21 -4.99 116.67 115.42 3k4m s ASP 422 Ca 0.13 0.62 0.14 0.00 0.43 0.00 0.00 52.55 53.87 3k4m s ASP 422 Cb 0.17 -2.20 0.41 0.00 -0.30 0.00 0.00 42.92 41.01 3k4m s ASP 422 CO 0.71 0.15 1.34 -0.81 -0.17 0.00 0.00 175.17 176.39 3k4m n PRO 423 N 3.14 2.01 -4.76 4.34 -0.04 -1.26 -4.84 135.00 133.58 3k4m n PRO 423 Ca -0.12 -1.57 -0.30 0.00 -0.04 0.00 0.00 63.50 61.47 3k4m n PRO 423 Cb 0.52 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 3k4m n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4m s LEU 424 N -1.04 2.21 0.20 1.53 1.43 -1.26 -5.03 118.68 116.72 3k4m s LEU 424 Ca 0.30 -0.64 0.26 0.00 -1.03 0.00 0.00 54.13 53.02 3k4m s LEU 424 Cb 0.16 -1.26 0.86 0.00 0.03 0.00 0.00 46.19 45.97 3k4m s LEU 424 CO 0.21 0.24 1.78 -0.81 0.23 0.00 0.00 176.35 177.99 3k4m n PRO 425 N 1.53 0.24 -3.05 1.29 -0.04 -1.26 -4.84 135.00 128.86 3k4m n PRO 425 Ca -0.17 0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 63.12 3k4m n PRO 425 Cb 0.52 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 3k4m n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4m s ILE 426 N -3.12 5.04 0.35 0.52 1.01 -1.26 -4.61 121.20 119.13 3k4m s ILE 426 Ca 0.10 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.87 3k4m s ILE 426 Cb 0.12 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 3k4m s ILE 426 CO 0.56 0.22 1.48 -2.84 0.00 0.00 0.00 174.94 174.37 3k4m s PRO 427 N 1.02 4.15 0.32 2.79 0.02 -1.26 -4.90 135.00 137.14 3k4m s PRO 427 Ca 0.36 2.52 0.10 0.00 0.02 0.00 0.00 61.00 64.00 3k4m s PRO 427 Cb -0.17 -2.99 0.88 0.00 0.02 0.00 0.00 34.50 32.23 3k4m s PRO 427 CO 0.16 -0.51 1.74 0.74 -0.33 0.00 0.00 177.00 178.81 3k4m h PHE 428 N 3.44 1.00 -0.53 6.54 0.04 -1.97 0.06 116.94 125.52 3k4m h PHE 428 Ca -0.50 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3k4m h PHE 428 Cb 1.23 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.09 3k4m h PHE 428 CO 0.55 0.10 0.00 0.39 -0.60 0.00 0.00 178.31 178.75 3k4m n GLU 429 N -4.84 4.45 -1.69 1.51 1.02 -1.26 -4.96 120.64 114.88 3k4m n GLU 429 Ca 0.26 -2.83 -0.44 0.00 -0.02 0.00 0.00 57.16 54.13 3k4m n GLU 429 Cb 0.72 -2.17 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 3k4m n GLU 429 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k4m n ASP 430 N 0.61 3.75 -4.73 1.62 2.03 0.01 -4.91 116.55 114.93 3k4m n ASP 430 Ca 0.25 1.01 -0.32 0.00 0.52 0.00 0.00 54.79 56.25 3k4m n ASP 430 Cb 1.08 -1.50 0.11 0.00 -0.72 0.00 0.00 41.12 40.10 3k4m n ASP 430 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3k4m s PRO 431 N 2.41 1.88 0.44 -0.67 0.02 -1.26 -4.98 135.00 132.84 3k4m s PRO 431 Ca 0.82 1.44 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 3k4m s PRO 431 Cb -0.56 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 3k4m s PRO 431 CO 0.39 -1.97 1.34 0.39 -0.33 0.00 0.00 177.00 176.82 3k4m n GLU 432 N -3.47 2.06 -1.84 5.54 -0.58 -1.26 -4.40 120.64 116.69 3k4m n GLU 432 Ca 0.11 0.73 -0.36 0.00 -0.42 0.00 0.00 57.16 57.23 3k4m n GLU 432 Cb 0.52 -2.50 0.05 0.00 -0.57 0.00 0.00 31.44 28.94 3k4m n GLU 432 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3k4m s PRO 433 N -2.34 2.72 -0.43 3.49 0.04 -1.26 -4.54 135.00 132.68 3k4m s PRO 433 Ca 0.61 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.57 3k4m s PRO 433 Cb -0.48 -1.89 0.27 0.00 0.04 0.00 0.00 34.50 32.44 3k4m s PRO 433 CO 0.57 -1.41 0.74 1.04 0.04 0.00 0.00 177.00 177.99 3k4m n GLN 434 N -1.91 0.81 -4.43 4.56 1.13 -1.24 -3.17 117.38 113.13 3k4m n GLN 434 Ca 0.14 -2.59 -0.31 0.00 -1.94 0.00 0.00 57.00 52.29 3k4m n GLN 434 Cb 0.50 -1.35 -0.10 0.00 0.11 0.00 0.00 30.24 29.39 3k4m n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4m s VAL 435 N -0.55 3.52 -0.07 5.09 1.01 0.03 -0.34 120.40 129.09 3k4m s VAL 435 Ca 0.33 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3k4m s VAL 435 Cb 0.23 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 34.09 3k4m s VAL 435 CO -0.15 0.33 0.35 0.28 0.00 0.00 0.00 175.10 175.91 3k4m s THR 436 N -1.04 0.03 -0.26 3.92 -1.32 -0.52 -0.80 115.64 115.65 3k4m s THR 436 Ca 0.18 -0.26 -0.05 0.00 -1.21 0.00 0.00 61.69 60.35 3k4m s THR 436 Cb -0.11 -0.59 -0.00 0.00 -1.51 0.00 0.00 72.50 70.29 3k4m s THR 436 CO 0.09 -0.14 0.03 0.28 -2.21 0.00 0.00 174.62 172.66 3k4m s THR 437 N -0.69 3.72 0.70 5.08 -1.32 -1.26 -1.67 115.64 120.21 3k4m s THR 437 Ca -0.08 -0.59 -0.14 0.00 -1.21 0.00 0.00 61.69 59.67 3k4m s THR 437 Cb -0.04 -2.83 0.02 0.00 -1.51 0.00 0.00 72.50 68.15 3k4m s THR 437 CO 0.03 0.23 1.14 -0.76 -2.21 0.00 0.00 174.62 173.05 3k4m s LEU 438 N 1.49 3.31 0.12 9.08 1.43 -1.26 -4.00 118.68 128.85 3k4m s LEU 438 Ca 0.04 2.10 -0.34 0.00 -1.03 0.00 0.00 54.13 54.90 3k4m s LEU 438 Cb -0.16 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.33 3k4m s LEU 438 CO 0.00 -1.93 1.01 0.33 0.23 0.00 0.00 176.35 175.99 3k4m n PHE 439 N -2.70 0.74 -3.81 0.29 -0.00 -1.21 -4.95 117.46 105.82 3k4m n PHE 439 Ca 0.11 0.85 -0.10 0.00 -0.00 0.00 0.00 57.45 58.31 3k4m n PHE 439 Cb 0.52 -2.16 -0.07 0.00 -0.00 0.00 0.00 39.48 37.76 3k4m n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4m s GLN 440 N -0.37 0.79 0.34 -4.13 -1.52 -1.11 -4.92 119.66 108.75 3k4m s GLN 440 Ca 0.77 -0.69 0.11 0.00 -1.95 0.00 0.00 55.36 53.61 3k4m s GLN 440 Cb -1.00 0.33 0.93 0.00 -0.22 0.00 0.00 33.01 33.06 3k4m s GLN 440 CO 0.54 -0.25 1.74 -1.35 -0.25 0.00 0.00 175.29 175.72 3k4m h PRO 441 N 3.12 0.53 0.00 2.91 0.11 -1.99 0.14 132.00 136.83 3k4m h PRO 441 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k4m h PRO 441 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k4m h PRO 441 CO 0.50 0.35 0.00 0.66 -0.21 0.00 0.00 178.00 179.30 3k4m h SER 442 N 0.54 0.00 -2.01 -2.05 4.64 -1.99 -3.35 113.55 109.34 3k4m h SER 442 Ca 0.63 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.41 3k4m h SER 442 Cb 1.29 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.01 3k4m h SER 442 CO -0.44 0.00 -1.01 0.00 -0.87 0.00 0.00 176.83 174.51 3k4m n HIS 443 N -2.67 -0.83 -0.47 4.77 -0.00 0.36 -5.05 115.22 111.32 3k4m n HIS 443 Ca 0.05 -3.31 -0.13 0.00 -0.00 0.00 0.00 57.72 54.32 3k4m n HIS 443 Cb 0.47 0.02 -0.02 0.00 -0.00 0.00 0.00 29.99 30.46 3k4m n HIS 443 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3k4m n PRO 444 N 2.00 1.28 -3.57 -1.40 -0.04 -0.35 -2.74 135.00 130.17 3k4m n PRO 444 Ca 0.24 -0.99 -0.15 0.00 -0.04 0.00 0.00 63.50 62.55 3k4m n PRO 444 Cb 0.52 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 3k4m n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4m s TRP 445 N 3.60 -0.48 0.31 0.54 -2.14 -1.26 -4.34 118.94 115.18 3k4m s TRP 445 Ca 0.26 0.66 -0.10 0.00 2.66 0.00 0.00 56.10 59.58 3k4m s TRP 445 Cb 0.08 0.34 -0.07 0.00 -3.10 0.00 0.00 33.47 30.72 3k4m s TRP 445 CO -0.02 -0.61 0.65 -1.58 -2.66 0.00 0.00 176.95 172.74 3k4m s HIS 446 N -1.94 3.44 -0.00 1.66 5.65 -0.56 -3.28 115.29 120.25 3k4m s HIS 446 Ca -0.08 0.94 0.02 0.00 0.25 0.00 0.00 55.06 56.19 3k4m s HIS 446 Cb -0.01 -2.33 -0.01 0.00 -1.18 0.00 0.00 32.58 29.05 3k4m s HIS 446 CO 0.02 0.10 -0.07 0.95 -0.65 0.00 0.00 174.74 175.09 3k4m s THR 447 N -2.08 0.56 -0.03 0.89 -4.23 -1.26 -0.45 115.64 109.04 3k4m s THR 447 Ca 0.49 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 3k4m s THR 447 Cb -0.11 -0.48 0.02 0.00 1.34 0.00 0.00 72.50 73.28 3k4m s THR 447 CO 0.26 0.13 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.35 3k4m s GLN 448 N -0.23 0.51 -0.35 3.99 -0.21 0.92 -4.44 119.66 119.85 3k4m s GLN 448 Ca 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.39 3k4m s GLN 448 Cb -0.03 -0.61 0.11 0.00 1.00 0.00 0.00 33.01 33.48 3k4m s GLN 448 CO -0.00 -0.10 0.14 0.42 -2.12 0.00 0.00 175.29 173.63 3k4m s ILE 449 N 0.90 0.95 0.00 1.08 1.01 0.02 -0.81 121.20 124.35 3k4m s ILE 449 Ca -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.82 3k4m s ILE 449 Cb -0.13 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3k4m s ILE 449 CO -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 174.94 174.17 3k4m n HIS 450 N 4.44 -0.24 -3.71 3.97 1.44 0.08 -0.79 115.22 120.41 3k4m n HIS 450 Ca 0.02 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.51 3k4m n HIS 450 Cb 0.40 0.00 -0.18 0.00 0.12 0.00 0.00 29.99 30.33 3k4m n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4m s ARG 451 N -0.03 0.22 0.21 -1.40 1.81 -1.19 -0.14 118.95 118.42 3k4m s ARG 451 Ca 0.00 0.24 0.04 0.00 -1.72 0.00 0.00 55.73 54.29 3k4m s ARG 451 Cb 0.00 -0.78 -0.03 0.00 -0.45 0.00 0.00 34.95 33.69 3k4m s ARG 451 CO 0.00 -0.34 0.33 0.34 -0.68 0.00 0.00 175.30 174.95 3k4m s ASP 452 N 2.08 6.30 0.08 0.23 -1.08 -1.26 -5.01 116.67 118.01 3k4m s ASP 452 Ca 0.05 0.10 -0.36 0.00 -0.52 0.00 0.00 52.55 51.82 3k4m s ASP 452 Cb -0.12 -1.87 -0.15 0.00 -1.46 0.00 0.00 42.92 39.32 3k4m s ASP 452 CO -0.04 -0.03 1.51 0.00 0.52 0.00 0.00 175.17 177.13 3k4m n ALA 453 N -1.10 0.18 -2.65 3.66 0.00 -1.26 -4.96 120.51 114.38 3k4m n ALA 453 Ca -0.08 0.46 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 3k4m n ALA 453 Cb 0.56 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.65 3k4m n ALA 453 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k4m s PHE 454 N 1.16 1.25 -0.60 0.00 5.36 -1.26 -4.76 117.98 119.13 3k4m s PHE 454 Ca 0.84 -0.38 -0.21 0.00 -0.96 0.00 0.00 56.93 56.22 3k4m s PHE 454 Cb -0.83 -0.73 0.08 0.00 -0.34 0.00 0.00 43.02 41.20 3k4m s PHE 454 CO 0.45 0.04 0.81 0.45 -1.46 0.00 0.00 175.22 175.51 3k4m s SER 455 N -1.29 6.20 0.06 6.13 0.15 -1.26 -4.76 113.70 118.93 3k4m s SER 455 Ca 0.01 -1.10 -0.29 0.00 0.70 0.00 0.00 55.95 55.28 3k4m s SER 455 Cb -0.08 -2.35 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 3k4m s SER 455 CO 0.02 -1.21 0.91 0.26 1.20 0.00 0.00 173.24 174.41 3k4m s TRP 456 N 3.30 3.75 0.57 3.44 0.52 -1.26 -5.03 118.94 124.23 3k4m s TRP 456 Ca 0.18 1.68 -0.21 0.00 0.02 0.00 0.00 56.10 57.77 3k4m s TRP 456 Cb -0.20 -3.00 -0.04 0.00 -1.15 0.00 0.00 33.47 29.08 3k4m s TRP 456 CO 0.10 0.17 1.30 0.41 0.02 0.00 0.00 176.95 178.95 3k4m n GLY 457 N 2.45 0.61 0.45 0.98 0.00 -1.26 -4.83 105.19 103.59 3k4m n GLY 457 Ca 0.02 -0.02 0.26 0.00 0.00 0.00 0.00 46.02 46.28 3k4m n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h ALA 458 N 1.17 2.56 -0.01 4.61 0.00 -2.00 -1.50 119.26 124.10 3k4m h ALA 458 Ca -0.50 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 3k4m h ALA 458 Cb 1.32 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.16 3k4m h ALA 458 CO 0.56 -0.89 -0.67 -0.24 0.00 0.00 0.00 179.25 178.01 3k4m h VAL 459 N 0.22 1.40 0.00 0.00 3.04 -1.99 -2.95 116.25 115.97 3k4m h VAL 459 Ca 0.52 -2.10 -0.01 0.00 -1.01 0.00 0.00 66.70 64.11 3k4m h VAL 459 Cb 1.64 2.54 -0.00 0.00 -2.01 0.00 0.00 31.29 33.45 3k4m h VAL 459 CO -0.14 0.62 -0.04 1.56 -1.01 0.00 0.00 177.57 178.56 3k4m h GLN 460 N -0.01 0.00 0.00 4.17 4.20 -1.61 0.32 115.11 122.18 3k4m h GLN 460 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3k4m h GLN 460 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 3k4m h GLN 460 CO 0.13 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 179.37 3k4m n GLN 461 N -3.47 0.08 0.24 1.46 1.13 -0.67 -1.88 117.38 114.28 3k4m n GLN 461 Ca -0.02 0.50 0.16 0.00 -1.94 0.00 0.00 57.00 55.70 3k4m n GLN 461 Cb 0.15 -1.73 0.59 0.00 0.11 0.00 0.00 30.24 29.36 3k4m n GLN 461 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k4m h SER 462 N 0.00 0.00 -3.13 1.08 0.87 -1.03 -3.43 113.55 107.90 3k4m h SER 462 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 3k4m h SER 462 Cb 0.10 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.96 3k4m h SER 462 CO 0.00 0.00 -0.39 -0.63 -0.53 0.00 0.00 176.83 175.28 3k4m s ILE 463 N -3.54 5.35 0.08 2.23 -1.09 -0.79 -5.04 121.20 118.40 3k4m s ILE 463 Ca 0.03 0.40 -0.31 0.00 -2.23 0.00 0.00 60.65 58.54 3k4m s ILE 463 Cb 0.09 -3.54 -0.09 0.00 -1.58 0.00 0.00 42.46 37.34 3k4m s ILE 463 CO 0.53 0.47 1.66 -0.62 -1.23 0.00 0.00 174.94 175.75 3k4m s ASP 464 N 0.00 6.58 0.47 3.58 -1.08 -1.26 -4.83 116.67 120.14 3k4m s ASP 464 Ca 0.14 2.52 0.32 0.00 -0.52 0.00 0.00 52.55 55.01 3k4m s ASP 464 Cb -0.12 -2.57 1.70 0.00 -1.46 0.00 0.00 42.92 40.47 3k4m s ASP 464 CO 0.03 -0.89 1.97 0.77 0.52 0.00 0.00 175.17 177.57 3k4m h SER 465 N 8.24 0.00 0.90 -0.34 4.64 -1.93 -0.98 113.55 124.08 3k4m h SER 465 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3k4m h SER 465 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3k4m h SER 465 CO 0.93 0.00 -0.00 0.03 -0.87 0.00 0.00 176.83 176.92 3k4m h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.98 -2.53 114.38 117.72 3k4m h ARG 466 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4m h ARG 466 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3k4m h ARG 466 CO 0.00 0.00 -0.15 1.28 -1.07 0.00 0.00 179.97 180.03 3k4m n LEU 467 N -3.09 0.56 -4.79 3.04 4.77 -0.37 -4.90 117.00 112.21 3k4m n LEU 467 Ca 0.00 0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 56.06 3k4m n LEU 467 Cb 0.28 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3k4m n LEU 467 CO 0.26 -0.09 -0.08 -0.63 -1.33 0.00 0.00 177.39 175.52 3k4m s ILE 468 N -3.08 5.35 -0.05 -0.08 1.01 -0.95 0.34 121.20 123.74 3k4m s ILE 468 Ca 0.11 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.18 3k4m s ILE 468 Cb 0.15 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 39.10 3k4m s ILE 468 CO 0.61 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 175.27 3k4m s VAL 469 N -0.26 0.90 0.24 2.92 1.01 -0.57 -4.95 120.40 119.68 3k4m s VAL 469 Ca 0.15 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 3k4m s VAL 469 Cb -0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 3k4m s VAL 469 CO 0.04 0.30 0.77 -1.81 0.00 0.00 0.00 175.10 174.39 3k4m s ASP 470 N 0.61 7.13 -0.08 3.32 1.01 0.80 -0.38 116.67 129.07 3k4m s ASP 470 Ca -0.11 1.51 0.02 0.00 0.71 0.00 0.00 52.55 54.67 3k4m s ASP 470 Cb -0.14 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3k4m s ASP 470 CO 0.02 0.02 -0.11 0.26 0.21 0.00 0.00 175.17 175.57 3k4m s TRP 471 N -1.52 1.50 -0.06 4.23 0.52 0.04 -0.74 118.94 122.91 3k4m s TRP 471 Ca 0.44 -0.62 0.00 0.00 0.02 0.00 0.00 56.10 55.94 3k4m s TRP 471 Cb -0.17 -1.13 0.02 0.00 -1.15 0.00 0.00 33.47 31.03 3k4m s TRP 471 CO 0.22 -0.35 -0.05 1.03 0.02 0.00 0.00 176.95 177.82 3k4m s ARG 472 N 0.96 0.98 -0.06 4.98 0.52 0.01 -1.67 118.95 124.66 3k4m s ARG 472 Ca -0.09 -0.11 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 3k4m s ARG 472 Cb -0.15 -1.04 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 3k4m s ARG 472 CO 0.00 -0.14 -0.22 -0.06 0.02 0.00 0.00 175.30 174.89 3k4m s PHE 473 N 1.24 2.51 -0.13 -0.53 0.40 -0.77 -0.06 117.98 120.63 3k4m s PHE 473 Ca -0.06 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.68 3k4m s PHE 473 Cb -0.14 -1.62 0.01 0.00 0.51 0.00 0.00 43.02 41.78 3k4m s PHE 473 CO -0.02 -0.15 -0.22 -0.06 0.70 0.00 0.00 175.22 175.47 3k4m s PHE 474 N -0.22 2.64 0.52 0.36 0.40 0.40 -2.15 117.98 119.94 3k4m s PHE 474 Ca -0.01 -1.30 -0.07 0.00 -0.60 0.00 0.00 56.93 54.95 3k4m s PHE 474 Cb -0.13 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 3k4m s PHE 474 CO 0.03 -0.59 0.85 0.20 0.70 0.00 0.00 175.22 176.42 3k4m s GLY 475 N 0.76 1.54 -0.04 4.36 0.00 0.21 -1.50 107.32 112.66 3k4m s GLY 475 Ca -0.08 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.12 3k4m s GLY 475 CO -0.01 -0.21 0.29 1.09 0.00 0.00 0.00 173.10 174.26 3k4m s ARG 476 N -4.87 3.68 -0.14 2.90 1.70 -1.26 -4.04 118.95 116.94 3k4m s ARG 476 Ca 0.50 0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.90 3k4m s ARG 476 Cb -0.10 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 3k4m s ARG 476 CO 0.47 0.71 -0.19 0.99 -1.08 0.00 0.00 175.30 176.20 3k4m s THR 477 N -1.11 2.37 0.14 4.99 2.01 -1.26 -4.72 115.64 118.05 3k4m s THR 477 Ca 0.21 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 61.02 3k4m s THR 477 Cb -0.14 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.31 3k4m s THR 477 CO 0.10 0.54 1.54 -1.61 -0.69 0.00 0.00 174.62 174.50 3k4m s GLU 478 N 0.68 4.24 -0.02 4.92 2.02 -1.26 -4.17 118.70 125.11 3k4m s GLU 478 Ca -0.09 2.28 -0.30 0.00 0.02 0.00 0.00 54.97 56.88 3k4m s GLU 478 Cb -0.16 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 3k4m s GLU 478 CO 0.02 -0.59 1.48 -1.25 0.02 0.00 0.00 175.26 174.94 3k4m s PRO 479 N 1.38 4.24 -0.04 0.39 0.04 -1.26 -4.79 135.00 134.96 3k4m s PRO 479 Ca 0.69 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.81 3k4m s PRO 479 Cb -0.41 -3.69 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 3k4m s PRO 479 CO 0.31 -0.67 -0.16 0.15 0.04 0.00 0.00 177.00 176.66 3k4m s LYS 480 N 2.92 1.66 0.29 4.56 -0.14 -1.26 -4.99 119.74 122.77 3k4m s LYS 480 Ca 0.67 -0.58 0.01 0.00 -1.36 0.00 0.00 55.97 54.71 3k4m s LYS 480 Cb -0.32 -1.46 0.56 0.00 -1.68 0.00 0.00 37.83 34.92 3k4m s LYS 480 CO 0.27 0.24 1.85 1.49 -0.76 0.00 0.00 175.35 178.44 3k4m h GLU 481 N 6.20 0.97 0.00 1.68 4.81 -1.93 -1.81 114.58 124.50 3k4m h GLU 481 Ca -0.33 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3k4m h GLU 481 Cb 1.17 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3k4m h GLU 481 CO 0.48 0.64 0.00 -0.85 -0.73 0.00 0.00 179.01 178.55 3k4m n GLU 482 N -4.59 0.11 -3.28 1.92 0.00 -1.26 -3.89 120.64 109.65 3k4m n GLU 482 Ca 0.18 0.43 -0.39 0.00 0.00 0.00 0.00 57.16 57.38 3k4m n GLU 482 Cb 0.34 -1.75 -0.08 0.00 0.00 0.00 0.00 31.44 29.95 3k4m n GLU 482 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3k4m s ASN 483 N -3.74 6.44 0.02 -1.84 0.01 -0.70 -4.74 114.94 110.38 3k4m s ASN 483 Ca 0.03 0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 3k4m s ASN 483 Cb 0.08 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 3k4m s ASN 483 CO 0.27 -0.22 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.07 3k4m s LYS 484 N 1.99 0.31 -0.25 -0.60 1.02 0.29 -1.92 119.74 120.58 3k4m s LYS 484 Ca 0.21 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 3k4m s LYS 484 Cb -0.15 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.23 3k4m s LYS 484 CO 0.09 -0.03 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.25 3k4m s LEU 485 N -1.33 3.23 0.28 3.17 2.96 0.36 -0.84 118.68 126.50 3k4m s LEU 485 Ca -0.14 -0.96 0.06 0.00 -0.22 0.00 0.00 54.13 52.87 3k4m s LEU 485 Cb -0.09 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 3k4m s LEU 485 CO -0.01 -0.14 -0.04 -1.66 -1.32 0.00 0.00 176.35 173.19 3k4m s TRP 486 N 1.29 1.89 -0.11 5.38 1.48 0.34 -4.53 118.94 124.67 3k4m s TRP 486 Ca -0.01 -0.76 0.04 0.00 -1.06 0.00 0.00 56.10 54.30 3k4m s TRP 486 Cb -0.17 -1.11 0.00 0.00 -1.16 0.00 0.00 33.47 31.04 3k4m s TRP 486 CO -0.05 0.20 -0.23 -0.06 -4.06 0.00 0.00 176.95 172.75 3k4m s PHE 487 N -3.11 2.55 0.70 1.66 0.08 -1.26 -0.51 117.98 118.08 3k4m s PHE 487 Ca 0.30 -1.11 -0.16 0.00 0.12 0.00 0.00 56.93 56.08 3k4m s PHE 487 Cb 0.05 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 3k4m s PHE 487 CO 0.12 -0.47 1.20 0.45 -0.10 0.00 0.00 175.22 176.42 3k4m s SER 488 N 0.49 4.47 0.00 1.36 0.15 -0.61 0.55 113.70 120.10 3k4m s SER 488 Ca -0.16 2.33 0.21 0.00 0.70 0.00 0.00 55.95 59.04 3k4m s SER 488 Cb -0.17 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.38 3k4m s SER 488 CO 0.06 -2.08 0.93 -0.90 1.20 0.00 0.00 173.24 172.45 3k4m n ASP 489 N -2.47 1.24 -0.06 5.45 5.68 -1.26 -4.36 116.55 120.77 3k4m n ASP 489 Ca 0.13 -1.12 -0.13 0.00 -0.50 0.00 0.00 54.79 53.17 3k4m n ASP 489 Cb 0.50 0.86 -0.04 0.00 -1.14 0.00 0.00 41.12 41.30 3k4m n ASP 489 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4m n LYS 490 N -1.10 0.31 -3.06 0.11 4.81 -1.26 -5.04 118.16 112.94 3k4m n LYS 490 Ca 0.05 0.13 -0.39 0.00 -0.87 0.00 0.00 58.31 57.23 3k4m n LYS 490 Cb 0.36 -1.03 -0.06 0.00 0.02 0.00 0.00 35.03 34.32 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k4m s ILE 491 N -2.34 4.56 0.21 3.15 -1.09 -1.26 -4.98 121.20 119.44 3k4m s ILE 491 Ca -0.20 1.56 0.09 0.00 -2.23 0.00 0.00 60.65 59.87 3k4m s ILE 491 Cb 0.06 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 3k4m s ILE 491 CO 0.26 0.49 -0.17 0.42 -1.23 0.00 0.00 174.94 174.71 3k4m s THR 492 N -0.84 1.95 0.00 2.92 -4.23 -1.26 -0.74 115.64 113.44 3k4m s THR 492 Ca 0.35 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3k4m s THR 492 Cb -0.21 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.58 3k4m s THR 492 CO 0.23 -0.45 0.00 -0.90 -0.54 0.00 0.00 174.62 172.96 3k4m n ASP 493 N -0.21 0.00 0.00 3.99 5.68 0.24 -4.69 116.55 121.56 3k4m n ASP 493 Ca -0.09 -0.71 0.10 0.00 -0.50 0.00 0.00 54.79 53.59 3k4m n ASP 493 Cb 0.59 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.09 3k4m n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4m n ALA 494 N -3.00 2.07 -1.10 2.12 0.00 -1.26 -0.82 120.51 118.52 3k4m n ALA 494 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3k4m n ALA 494 Cb 0.00 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.34 3k4m n ALA 494 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m n TYR 495 N -1.29 0.79 -3.06 0.00 4.02 -1.26 -4.94 117.16 111.41 3k4m n TYR 495 Ca 0.10 -1.05 -0.22 0.00 -0.01 0.00 0.00 57.90 56.72 3k4m n TYR 495 Cb 0.17 -0.32 0.03 0.00 -0.02 0.00 0.00 39.34 39.20 3k4m n TYR 495 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3k4m n ASN 496 N -0.81 -5.64 -4.78 7.72 5.15 -0.00 -4.99 115.26 111.91 3k4m n ASN 496 Ca 0.23 -0.29 -0.28 0.00 -0.60 0.00 0.00 54.58 53.64 3k4m n ASN 496 Cb 0.87 -4.57 -0.06 0.00 -0.53 0.00 0.00 39.78 35.49 3k4m n ASN 496 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3k4m s MET 497 N -5.74 2.85 0.02 1.20 -1.94 -1.26 -4.84 119.30 109.59 3k4m s MET 497 Ca 0.31 -0.83 -0.38 0.00 -1.71 0.00 0.00 55.69 53.08 3k4m s MET 497 Cb -0.14 -2.65 -0.18 0.00 2.01 0.00 0.00 34.83 33.87 3k4m s MET 497 CO 0.38 0.51 1.28 -2.30 -0.01 0.00 0.00 175.02 174.88 3k4m n PRO 498 N -0.05 0.71 -2.31 2.03 -0.02 -1.26 0.80 135.00 134.91 3k4m n PRO 498 Ca -0.09 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3k4m n PRO 498 Cb 0.54 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3k4m n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4m s GLN 499 N 0.57 4.28 0.41 -0.52 2.00 0.08 -4.60 119.66 121.88 3k4m s GLN 499 Ca 0.88 1.85 -0.25 0.00 -2.00 0.00 0.00 55.36 55.84 3k4m s GLN 499 Cb -1.09 -3.66 -0.08 0.00 0.80 0.00 0.00 33.01 28.98 3k4m s GLN 499 CO 0.53 -0.60 1.21 -1.25 -0.50 0.00 0.00 175.29 174.67 3k4m s PRO 500 N 2.79 3.98 -0.05 1.67 0.04 -1.26 -1.58 135.00 140.59 3k4m s PRO 500 Ca 0.61 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 3k4m s PRO 500 Cb -0.28 -2.67 0.03 0.00 0.04 0.00 0.00 34.50 31.63 3k4m s PRO 500 CO 0.23 -0.41 0.10 0.99 0.04 0.00 0.00 177.00 177.94 3k4m s THR 501 N -1.37 -0.04 -0.08 1.26 2.01 0.33 -4.62 115.64 113.13 3k4m s THR 501 Ca 0.58 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.70 3k4m s THR 501 Cb -0.33 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3k4m s THR 501 CO 0.42 0.06 0.09 -0.36 -0.69 0.00 0.00 174.62 174.14 3k4m s PHE 502 N 0.93 3.41 -0.31 4.92 0.08 -1.26 -0.51 117.98 125.24 3k4m s PHE 502 Ca -0.07 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.34 3k4m s PHE 502 Cb -0.10 -1.85 0.10 0.00 -0.57 0.00 0.00 43.02 40.60 3k4m s PHE 502 CO -0.04 0.62 0.07 0.34 -0.10 0.00 0.00 175.22 176.11 3k4m s ASP 503 N -1.21 4.27 -0.16 1.36 -1.08 -0.02 -4.56 116.67 115.27 3k4m s ASP 503 Ca 0.17 -1.79 -0.09 0.00 -0.52 0.00 0.00 52.55 50.33 3k4m s ASP 503 Cb -0.12 -1.16 0.06 0.00 -1.46 0.00 0.00 42.92 40.24 3k4m s ASP 503 CO 0.07 -0.39 0.39 0.12 0.52 0.00 0.00 175.17 175.88 3k4m s PHE 504 N 1.34 -0.55 0.04 -5.34 2.19 -0.68 -0.55 117.98 114.43 3k4m s PHE 504 Ca 0.09 1.20 0.03 0.00 0.33 0.00 0.00 56.93 58.58 3k4m s PHE 504 Cb -0.18 0.23 -0.02 0.00 -1.31 0.00 0.00 43.02 41.74 3k4m s PHE 504 CO -0.17 -0.32 -0.09 1.03 1.83 0.00 0.00 175.22 177.50 3k4m s ARG 505 N 1.31 0.59 0.07 10.12 1.81 -1.26 -4.01 118.95 127.57 3k4m s ARG 505 Ca -0.09 -0.76 -0.31 0.00 -1.72 0.00 0.00 55.73 52.86 3k4m s ARG 505 Cb -0.08 -0.42 -0.09 0.00 -0.45 0.00 0.00 34.95 33.92 3k4m s ARG 505 CO -0.11 0.08 1.73 -0.06 -0.68 0.00 0.00 175.30 176.26 3k4m s PHE 506 N -1.27 2.18 0.61 -0.53 0.08 -1.26 -4.90 117.98 112.90 3k4m s PHE 506 Ca -0.07 0.14 -0.19 0.00 0.12 0.00 0.00 56.93 56.92 3k4m s PHE 506 Cb -0.09 -4.04 -0.02 0.00 -0.57 0.00 0.00 43.02 38.29 3k4m s PHE 506 CO 0.01 -4.29 1.29 -2.14 -0.10 0.00 0.00 175.22 169.99 3k4m s PRO 507 N 3.01 2.76 0.89 0.24 0.02 -1.26 -4.84 135.00 135.81 3k4m s PRO 507 Ca 0.77 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.73 3k4m s PRO 507 Cb -0.41 -1.95 0.12 0.00 0.02 0.00 0.00 34.50 32.28 3k4m s PRO 507 CO 0.34 -1.43 1.09 0.00 -0.33 0.00 0.00 177.00 176.67 3k4m s ALA 508 N -1.41 1.62 0.00 -1.55 0.00 -1.26 -3.00 121.76 116.15 3k4m s ALA 508 Ca 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3k4m s ALA 508 Cb -0.37 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3k4m s ALA 508 CO 0.40 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 174.28 3k4m n GLY 509 N -1.32 0.93 0.16 0.00 0.00 -1.26 -4.41 105.19 99.29 3k4m n GLY 509 Ca 0.07 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 3k4m n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4m h ARG 510 N 0.00 0.20 -0.65 1.61 2.43 -1.98 0.15 114.38 116.14 3k4m h ARG 510 Ca 0.00 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3k4m h ARG 510 Cb 0.00 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 3k4m h ARG 510 CO 0.00 0.13 0.34 1.15 -1.51 0.00 0.00 179.97 180.08 3k4m h THR 511 N 0.21 0.92 -0.15 0.20 2.02 -1.77 0.32 112.91 114.66 3k4m h THR 511 Ca 0.18 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3k4m h THR 511 Cb 0.20 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3k4m h THR 511 CO -0.23 0.11 -0.18 0.28 0.37 0.00 0.00 175.52 175.88 3k4m h SER 512 N 0.62 0.41 -0.58 4.18 0.02 -1.31 -0.93 113.55 115.96 3k4m h SER 512 Ca 0.30 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3k4m h SER 512 Cb 0.23 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3k4m h SER 512 CO -0.21 0.83 0.39 0.50 -1.14 0.00 0.00 176.83 177.20 3k4m h LYS 513 N 0.01 0.77 -0.75 3.45 3.64 -0.71 -2.29 116.57 120.69 3k4m h LYS 513 Ca 0.02 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3k4m h LYS 513 Cb 0.73 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3k4m h LYS 513 CO 0.04 0.51 0.37 0.93 -2.27 0.00 0.00 179.45 179.03 3k4m h GLU 514 N 0.79 1.07 -0.58 1.90 5.08 -0.34 -1.49 114.58 121.02 3k4m h GLU 514 Ca 0.21 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3k4m h GLU 514 Cb -0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3k4m h GLU 514 CO -0.05 0.83 0.07 0.00 -1.00 0.00 0.00 179.01 178.87 3k4m h ALA 515 N 1.18 1.04 -0.13 3.43 0.00 -0.74 0.15 119.26 124.19 3k4m h ALA 515 Ca 0.26 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3k4m h ALA 515 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k4m h ALA 515 CO -0.03 0.61 -0.54 1.49 0.00 0.00 0.00 179.25 180.78 3k4m h GLU 516 N 0.89 0.38 0.00 0.00 4.57 -1.40 -1.75 114.58 117.27 3k4m h GLU 516 Ca 0.18 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3k4m h GLU 516 Cb 0.42 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3k4m h GLU 516 CO 0.01 0.82 -0.27 -0.44 -1.18 0.00 0.00 179.01 177.96 3k4m h ASP 517 N 0.29 0.00 0.10 1.04 3.32 -0.58 -2.00 116.42 118.59 3k4m h ASP 517 Ca 0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 3k4m h ASP 517 Cb 1.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.62 3k4m h ASP 517 CO 0.09 0.27 -0.86 -0.03 -1.72 0.00 0.00 179.24 176.98 3k4m h MET 518 N 0.00 0.41 -0.43 3.56 1.85 -0.44 -1.89 114.93 117.99 3k4m h MET 518 Ca -0.00 -0.57 0.09 0.00 -0.61 0.00 0.00 59.70 58.60 3k4m h MET 518 Cb 0.60 0.20 -0.08 0.00 0.43 0.00 0.00 31.60 32.75 3k4m h MET 518 CO 0.03 1.24 -0.11 1.98 -0.40 0.00 0.00 176.91 179.65 3k4m h MET 519 N -0.14 0.00 -0.91 0.39 1.85 -1.09 -1.97 114.93 113.07 3k4m h MET 519 Ca -0.14 -0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3k4m h MET 519 Cb 1.62 -0.00 -0.06 0.00 0.43 0.00 0.00 31.60 33.59 3k4m h MET 519 CO 0.17 0.00 0.57 1.15 -0.40 0.00 0.00 176.91 178.40 3k4m h THR 520 N 0.00 1.06 -0.60 -0.77 2.02 -1.27 -1.67 112.91 111.69 3k4m h THR 520 Ca 0.21 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3k4m h THR 520 Cb 0.32 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 3k4m h THR 520 CO -0.45 0.19 0.30 -0.78 0.37 0.00 0.00 175.52 175.16 3k4m h ASP 521 N 1.04 0.77 -0.36 4.18 3.58 -0.98 0.29 116.42 124.94 3k4m h ASP 521 Ca 0.39 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 3k4m h ASP 521 Cb 0.16 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 3k4m h ASP 521 CO -0.17 0.67 0.18 -0.03 -2.88 0.00 0.00 179.24 177.00 3k4m h MET 522 N 0.81 0.51 -0.41 0.28 4.05 -1.03 0.54 114.93 119.69 3k4m h MET 522 Ca 0.21 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3k4m h MET 522 Cb 0.09 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 3k4m h MET 522 CO -0.03 0.45 0.24 0.00 0.23 0.00 0.00 176.91 177.80 3k4m h VAL 524 N 0.49 1.31 -0.33 0.00 2.07 0.01 -2.98 116.25 116.81 3k4m h VAL 524 Ca 0.16 -1.08 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 3k4m h VAL 524 Cb 0.00 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3k4m h VAL 524 CO -0.07 0.32 -0.48 -0.03 0.02 0.00 0.00 177.57 177.33 3k4m h MET 525 N -0.02 0.91 -0.33 1.57 -1.53 0.16 -3.10 114.93 112.60 3k4m h MET 525 Ca 0.03 -0.54 0.01 0.00 -3.44 0.00 0.00 59.70 55.77 3k4m h MET 525 Cb 0.52 0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.60 3k4m h MET 525 CO 0.02 1.18 0.22 0.66 0.14 0.00 0.00 176.91 179.13 3k4m h SER 526 N 0.72 0.36 0.30 1.39 4.64 -0.63 -2.31 113.55 118.01 3k4m h SER 526 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3k4m h SER 526 Cb 1.08 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3k4m h SER 526 CO 0.11 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3k4m n ALA 527 N -2.49 1.32 0.99 5.18 0.00 -1.13 -0.69 120.51 123.70 3k4m n ALA 527 Ca 0.02 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3k4m n ALA 527 Cb 0.08 -1.26 0.32 0.00 0.00 0.00 0.00 19.45 18.59 3k4m n ALA 527 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k4m n LYS 528 N -1.98 0.01 -0.08 0.00 5.02 -0.87 -3.79 118.16 116.47 3k4m n LYS 528 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 3k4m n LYS 528 Cb 0.11 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 3k4m n LYS 528 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k4m n ILE 529 N -1.51 1.01 0.00 -0.18 2.08 0.14 -4.98 119.36 115.91 3k4m n ILE 529 Ca 0.06 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.89 3k4m n ILE 529 Cb 0.34 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 38.29 3k4m n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4m n GLY 530 N 2.44 0.73 3.74 7.39 0.00 -0.92 -0.96 105.19 117.61 3k4m n GLY 530 Ca -0.29 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 3k4m n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4m s GLY 531 N 0.00 1.59 0.59 -0.02 0.00 -1.24 -3.95 107.32 104.29 3k4m s GLY 531 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.24 3k4m s GLY 531 CO 0.00 0.24 1.15 -1.36 0.00 0.00 0.00 173.10 173.12 3k4m s PHE 532 N -3.07 2.57 -0.12 1.90 0.08 -1.26 -1.36 117.98 116.72 3k4m s PHE 532 Ca 0.64 1.54 -0.28 0.00 0.12 0.00 0.00 56.93 58.95 3k4m s PHE 532 Cb -0.17 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 38.95 3k4m s PHE 532 CO 0.56 -1.79 0.95 -1.17 -0.10 0.00 0.00 175.22 173.66 3k4m s LEU 533 N -4.14 4.24 0.47 -0.37 2.96 0.01 -4.59 118.68 117.26 3k4m s LEU 533 Ca 0.73 1.43 -0.24 0.00 -0.22 0.00 0.00 54.13 55.82 3k4m s LEU 533 Cb -0.25 -3.45 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 3k4m s LEU 533 CO 0.32 -0.41 1.41 -2.65 -1.32 0.00 0.00 176.35 173.70 3k4m n PRO 534 N 4.96 2.11 -0.46 0.98 -0.02 -1.26 -0.49 135.00 140.82 3k4m n PRO 534 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3k4m n PRO 534 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3k4m n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 535 N 0.63 1.48 2.74 -1.23 0.00 -1.26 -4.76 105.19 102.79 3k4m n GLY 535 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3k4m n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4m n SER 536 N 0.00 1.49 -4.82 1.61 7.64 0.35 -5.04 113.62 114.85 3k4m n SER 536 Ca 0.00 -2.39 -0.32 0.00 1.01 0.00 0.00 58.87 57.17 3k4m n SER 536 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 3k4m n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4m s LEU 537 N -3.44 3.48 0.10 -3.43 1.43 -1.24 -0.84 118.68 114.73 3k4m s LEU 537 Ca 0.27 1.72 -0.34 0.00 -1.03 0.00 0.00 54.13 54.74 3k4m s LEU 537 Cb 0.39 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.96 3k4m s LEU 537 CO 0.00 -1.03 1.61 -2.65 0.23 0.00 0.00 176.35 174.51 3k4m n PRO 538 N -2.06 2.02 -3.56 1.29 -0.02 -1.26 -4.61 135.00 126.80 3k4m n PRO 538 Ca 0.08 0.73 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 3k4m n PRO 538 Cb 0.53 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3k4m n PRO 538 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3k4m s GLN 539 N 1.51 0.79 0.30 -0.52 -2.07 -0.91 -4.99 119.66 113.77 3k4m s GLN 539 Ca 0.82 0.29 -0.28 0.00 -1.82 0.00 0.00 55.36 54.38 3k4m s GLN 539 Cb -0.72 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 31.48 3k4m s GLN 539 CO 0.42 -0.23 1.01 -0.06 -1.32 0.00 0.00 175.29 175.11 3k4m s PHE 540 N -0.92 3.65 0.61 9.60 0.08 -1.26 -1.34 117.98 128.40 3k4m s PHE 540 Ca -0.05 1.77 -0.05 0.00 0.12 0.00 0.00 56.93 58.71 3k4m s PHE 540 Cb -0.01 -3.08 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 3k4m s PHE 540 CO 0.04 -0.11 0.91 -1.64 -0.10 0.00 0.00 175.22 174.33 3k4m s MET 541 N -1.75 2.74 0.23 0.44 -1.94 0.34 -4.96 119.30 114.42 3k4m s MET 541 Ca 0.48 -0.12 -0.32 0.00 -1.71 0.00 0.00 55.69 54.02 3k4m s MET 541 Cb -0.25 -2.27 -0.13 0.00 2.01 0.00 0.00 34.83 34.19 3k4m s MET 541 CO 0.31 -0.81 1.55 -1.91 -0.01 0.00 0.00 175.02 174.16 3k4m n GLU 542 N -2.63 2.38 -1.70 2.03 2.13 -1.26 -4.80 120.64 116.79 3k4m n GLU 542 Ca 0.05 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.30 3k4m n GLU 542 Cb 0.58 -2.60 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3k4m n PRO 543 N 2.66 2.83 -0.14 5.31 -0.02 -1.26 -0.86 135.00 143.52 3k4m n PRO 543 Ca 0.12 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3k4m n PRO 543 Cb 0.33 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 3k4m n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 544 N 4.17 1.98 0.39 -1.23 0.00 -1.26 -0.54 105.19 108.71 3k4m n GLY 544 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.39 3k4m n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4m h LEU 545 N 0.00 0.11 -1.08 0.99 6.46 -1.05 -1.34 115.31 119.39 3k4m h LEU 545 Ca 0.00 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 3k4m h LEU 545 Cb 0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 3k4m h LEU 545 CO 0.00 0.05 -0.34 1.62 -0.62 0.00 0.00 178.44 179.15 3k4m h VAL 546 N 0.11 0.88 -4.46 1.05 3.04 -1.88 -3.47 116.25 111.53 3k4m h VAL 546 Ca 0.30 -1.38 -0.26 0.00 -1.01 0.00 0.00 66.70 64.35 3k4m h VAL 546 Cb 1.05 1.84 0.11 0.00 -2.01 0.00 0.00 31.29 32.27 3k4m h VAL 546 CO -0.04 0.34 -0.50 0.18 -1.01 0.00 0.00 177.57 176.54 3k4m n LEU 547 N -3.60 -3.13 -0.64 3.16 4.77 -0.51 -4.91 117.00 112.14 3k4m n LEU 547 Ca -0.01 -0.40 0.05 0.00 -0.03 0.00 0.00 56.01 55.63 3k4m n LEU 547 Cb 0.47 -2.30 0.21 0.00 -2.33 0.00 0.00 43.42 39.46 3k4m n LEU 547 CO 0.36 0.40 0.37 1.41 -1.33 0.00 0.00 177.39 178.60 3k4m n HIS 548 N -3.92 0.08 -1.79 -1.77 8.25 -1.26 -5.04 115.22 109.76 3k4m n HIS 548 Ca -0.06 -1.52 -0.41 0.00 -0.26 0.00 0.00 57.72 55.47 3k4m n HIS 548 Cb 0.57 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 3k4m n HIS 548 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k4m s LEU 549 N -3.25 4.34 0.35 2.41 2.96 -1.26 -4.52 118.68 119.71 3k4m s LEU 549 Ca 0.38 2.98 -0.04 0.00 -0.22 0.00 0.00 54.13 57.23 3k4m s LEU 549 Cb 0.37 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.43 3k4m s LEU 549 CO -0.07 -0.90 0.51 -0.83 -1.32 0.00 0.00 176.35 173.74 3k4m s GLY 550 N 0.31 1.39 0.00 7.98 0.00 -0.16 -4.21 107.32 112.63 3k4m s GLY 550 Ca 0.60 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3k4m s GLY 550 CO 0.52 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 173.30 3k4m n GLY 551 N -0.57 0.40 0.22 0.20 0.00 -0.68 -1.16 105.19 103.59 3k4m n GLY 551 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3k4m n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4m h THR 552 N 0.00 0.00 -0.57 2.61 1.35 -1.72 -3.34 112.91 111.25 3k4m h THR 552 Ca 0.00 -0.48 -0.31 0.00 -0.55 0.00 0.00 66.41 65.07 3k4m h THR 552 Cb 0.25 1.40 -0.22 0.00 -1.73 0.00 0.00 68.15 67.85 3k4m h THR 552 CO 0.00 0.00 -0.66 0.00 -0.25 0.00 0.00 175.52 174.61 3k4m n HIS 553 N -2.78 -2.10 -2.50 4.73 1.44 0.06 -0.32 115.22 113.76 3k4m n HIS 553 Ca 0.02 -2.55 -0.31 0.00 -2.01 0.00 0.00 57.72 52.86 3k4m n HIS 553 Cb 0.32 1.05 -0.03 0.00 0.12 0.00 0.00 29.99 31.45 3k4m n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4m s ARG 554 N -0.38 3.87 0.37 -1.40 1.70 -0.95 -4.12 118.95 118.05 3k4m s ARG 554 Ca 0.28 0.80 -0.06 0.00 -0.47 0.00 0.00 55.73 56.28 3k4m s ARG 554 Cb 0.29 -2.21 -0.05 0.00 -0.57 0.00 0.00 34.95 32.41 3k4m s ARG 554 CO -0.08 -0.22 0.67 1.41 -1.08 0.00 0.00 175.30 175.99 3k4m s MET 555 N -4.08 3.64 -0.09 3.89 -2.45 0.17 -0.50 119.30 119.88 3k4m s MET 555 Ca 0.56 0.14 -0.32 0.00 -1.25 0.00 0.00 55.69 54.82 3k4m s MET 555 Cb -0.10 -2.51 0.13 0.00 1.25 0.00 0.00 34.83 33.60 3k4m s MET 555 CO 0.33 0.04 1.30 0.20 1.05 0.00 0.00 175.02 177.94 3k4m s GLY 556 N -3.48 -0.38 0.07 2.11 0.00 -1.01 -4.45 107.32 100.18 3k4m s GLY 556 Ca 0.46 1.04 -0.05 0.00 0.00 0.00 0.00 44.72 46.17 3k4m s GLY 556 CO 0.34 0.26 1.14 0.74 0.00 0.00 0.00 173.10 175.59 3k4m h PHE 557 N 2.00 0.51 -3.40 1.90 0.04 -1.92 -3.33 116.94 112.74 3k4m h PHE 557 Ca -0.24 -0.37 -0.33 0.00 2.80 0.00 0.00 57.97 59.83 3k4m h PHE 557 Cb 1.19 -0.02 -0.36 0.00 2.20 0.00 0.00 35.95 38.96 3k4m h PHE 557 CO 0.31 1.29 -0.72 0.34 -0.60 0.00 0.00 178.31 178.92 3k4m s ASP 558 N -7.16 0.53 0.16 2.17 2.15 -1.26 -4.92 116.67 108.35 3k4m s ASP 558 Ca -0.04 0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 3k4m s ASP 558 Cb 0.07 -0.07 -0.04 0.00 -0.30 0.00 0.00 42.92 42.58 3k4m s ASP 558 CO 0.89 -0.19 1.54 -0.08 -0.17 0.00 0.00 175.17 177.16 3k4m h GLU 559 N 7.82 -0.03 0.09 4.34 4.81 -1.87 -0.00 114.58 129.73 3k4m h GLU 559 Ca -0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3k4m h GLU 559 Cb 1.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3k4m h GLU 559 CO 0.32 -0.02 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.33 3k4m h LYS 560 N -0.03 -0.11 0.00 1.92 3.64 -1.97 -1.75 116.57 118.27 3k4m h LYS 560 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3k4m h LYS 560 Cb 0.44 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3k4m h LYS 560 CO -0.92 0.42 -0.05 0.93 -2.27 0.00 0.00 179.45 177.56 3k4m h GLU 561 N -0.86 0.00 -0.18 1.90 5.08 -1.99 -2.59 114.58 115.95 3k4m h GLU 561 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3k4m h GLU 561 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3k4m h GLU 561 CO 0.02 0.05 -0.04 -0.25 -1.00 0.00 0.00 179.01 177.79 3k4m n ASP 562 N -3.13 3.07 -3.94 1.42 8.00 -0.02 -5.01 116.55 116.94 3k4m n ASP 562 Ca 0.02 -3.22 -0.37 0.00 0.71 0.00 0.00 54.79 51.94 3k4m n ASP 562 Cb 0.43 -0.53 0.01 0.00 -0.02 0.00 0.00 41.12 41.02 3k4m n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4m n ASN 563 N -0.93 -3.99 -3.66 -2.24 4.13 -0.76 -4.86 115.26 102.95 3k4m n ASN 563 Ca 0.22 -1.11 -0.15 0.00 1.68 0.00 0.00 54.58 55.22 3k4m n ASN 563 Cb 0.83 -1.46 -0.07 0.00 -1.54 0.00 0.00 39.78 37.54 3k4m n ASN 563 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4m s VAL 566 N -1.93 1.06 0.00 0.00 -7.23 -1.16 -2.31 120.40 108.83 3k4m s VAL 566 Ca 0.00 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3k4m s VAL 566 Cb 0.00 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.93 3k4m s VAL 566 CO 0.00 -0.16 0.00 -0.46 -0.31 0.00 0.00 175.10 174.17 3k4m n ASN 567 N 1.50 0.00 0.00 4.85 0.23 0.50 -2.41 115.26 119.94 3k4m n ASN 567 Ca -0.20 -0.74 0.11 0.00 -0.53 0.00 0.00 54.58 53.21 3k4m n ASN 567 Cb 0.54 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.79 3k4m n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4m n THR 568 N -1.36 0.32 -0.21 5.53 -2.24 -1.25 -0.45 114.28 114.62 3k4m n THR 568 Ca 0.00 0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 3k4m n THR 568 Cb 0.00 -0.73 0.30 0.00 -2.10 0.00 0.00 70.33 67.80 3k4m n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4m n ASP 569 N -1.27 3.99 -3.02 3.42 8.00 -1.26 -4.78 116.55 121.64 3k4m n ASP 569 Ca 0.10 -2.35 -0.20 0.00 0.71 0.00 0.00 54.79 53.06 3k4m n ASP 569 Cb 0.17 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3k4m n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4m n SER 570 N 0.92 -4.12 -4.71 -2.24 7.64 0.40 -4.45 113.62 107.06 3k4m n SER 570 Ca 0.21 -0.19 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 3k4m n SER 570 Cb 0.75 -3.42 -0.05 0.00 -1.01 0.00 0.00 64.21 60.48 3k4m n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4m s ARG 571 N -5.65 4.38 0.16 1.43 3.52 -1.25 -1.64 118.95 119.90 3k4m s ARG 571 Ca 0.26 0.74 -0.32 0.00 -0.13 0.00 0.00 55.73 56.28 3k4m s ARG 571 Cb -0.13 -3.46 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 3k4m s ARG 571 CO 0.32 0.04 1.63 0.08 -0.81 0.00 0.00 175.30 176.56 3k4m s VAL 572 N 0.92 2.50 0.17 7.11 1.01 -0.94 -0.37 120.40 130.80 3k4m s VAL 572 Ca 0.33 0.32 -0.32 0.00 0.00 0.00 0.00 61.98 62.32 3k4m s VAL 572 Cb -0.17 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 3k4m s VAL 572 CO 0.15 0.02 1.71 -0.36 0.00 0.00 0.00 175.10 176.62 3k4m s PHE 573 N 1.37 2.73 0.00 5.22 0.08 -0.98 -2.04 117.98 124.36 3k4m s PHE 573 Ca 0.72 0.32 0.00 0.00 0.12 0.00 0.00 56.93 58.09 3k4m s PHE 573 Cb -0.45 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 37.91 3k4m s PHE 573 CO 0.32 -4.22 0.00 0.41 -0.10 0.00 0.00 175.22 171.63 3k4m n GLY 574 N 3.99 0.72 3.11 4.36 0.00 -1.26 -5.00 105.19 111.12 3k4m n GLY 574 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3k4m n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 575 N -2.44 2.16 0.32 1.61 0.40 -0.87 -3.80 117.98 115.37 3k4m s PHE 575 Ca 0.00 -0.97 0.07 0.00 -0.60 0.00 0.00 56.93 55.44 3k4m s PHE 575 Cb 0.00 -1.51 0.55 0.00 0.51 0.00 0.00 43.02 42.58 3k4m s PHE 575 CO 0.00 -0.45 1.77 0.87 0.70 0.00 0.00 175.22 178.11 3k4m h LYS 576 N 7.14 0.26 -0.11 0.44 1.79 -1.36 -3.38 116.57 121.35 3k4m h LYS 576 Ca -0.28 -0.10 -0.19 0.00 -2.18 0.00 0.00 60.65 57.90 3k4m h LYS 576 Cb 1.20 -0.02 -0.38 0.00 -1.58 0.00 0.00 32.23 31.45 3k4m h LYS 576 CO 0.49 0.55 -1.04 0.27 -1.08 0.00 0.00 179.45 178.65 3k4m n ASN 577 N -4.11 1.21 -4.15 0.86 6.94 -1.26 -5.02 115.26 109.72 3k4m n ASN 577 Ca -0.01 -2.10 -0.29 0.00 -0.02 0.00 0.00 54.58 52.16 3k4m n ASN 577 Cb 0.40 -0.35 -0.17 0.00 -2.36 0.00 0.00 39.78 37.30 3k4m n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4m s LEU 578 N -1.07 1.93 0.05 -4.53 2.96 -1.26 -0.84 118.68 115.91 3k4m s LEU 578 Ca 0.33 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3k4m s LEU 578 Cb 0.37 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 3k4m s LEU 578 CO -0.13 0.13 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.57 3k4m s PHE 579 N 0.37 0.79 -0.08 5.38 0.40 -0.11 -2.20 117.98 122.53 3k4m s PHE 579 Ca -0.15 -0.48 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 3k4m s PHE 579 Cb -0.16 -0.46 -0.00 0.00 0.51 0.00 0.00 43.02 42.90 3k4m s PHE 579 CO 0.06 -0.05 -0.23 -0.51 0.70 0.00 0.00 175.22 175.19 3k4m s LEU 580 N -1.58 2.02 -0.02 -0.37 1.43 -0.65 -0.69 118.68 118.83 3k4m s LEU 580 Ca -0.08 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 3k4m s LEU 580 Cb -0.10 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3k4m s LEU 580 CO 0.01 0.18 -0.23 -0.83 0.23 0.00 0.00 176.35 175.70 3k4m s GLY 581 N 0.16 1.13 0.00 -3.19 0.00 -0.21 -4.80 107.32 100.41 3k4m s GLY 581 Ca -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3k4m s GLY 581 CO 0.06 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.94 3k4m n GLY 582 N 2.52 2.61 0.35 0.20 0.00 -1.26 -4.38 105.19 105.23 3k4m n GLY 582 Ca -0.16 -1.87 0.18 0.00 0.00 0.00 0.00 46.02 44.18 3k4m n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h GLY 584 N 0.00 0.00 1.98 0.00 0.00 -1.90 -1.83 103.07 101.33 3k4m h GLY 584 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 3k4m h GLY 584 CO -0.00 0.00 -0.67 3.43 0.00 0.00 0.00 176.54 179.30 3k4m h ASN 585 N 0.00 0.02 -2.67 0.19 2.35 -0.99 0.33 115.58 114.80 3k4m h ASN 585 Ca -0.00 -0.02 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 3k4m h ASN 585 Cb 0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3k4m h ASN 585 CO 0.00 0.69 1.10 -0.63 -1.65 0.00 0.00 177.43 176.93 3k4m s ILE 586 N -3.50 3.67 -0.66 2.81 1.01 -0.70 0.42 121.20 124.24 3k4m s ILE 586 Ca -0.01 0.79 0.24 0.00 0.00 0.00 0.00 60.65 61.67 3k4m s ILE 586 Cb 0.12 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 39.09 3k4m s ILE 586 CO 0.77 -0.15 1.37 -0.81 0.00 0.00 0.00 174.94 176.13 3k4m n PRO 587 N 7.31 0.28 -2.49 2.79 -0.04 -1.26 -1.69 135.00 139.90 3k4m n PRO 587 Ca 0.18 0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.50 3k4m n PRO 587 Cb 0.44 -1.69 0.08 0.00 -0.04 0.00 0.00 33.50 32.29 3k4m n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4m s THR 588 N -3.15 2.33 -0.40 0.52 -4.23 -1.26 -4.75 115.64 104.69 3k4m s THR 588 Ca 0.07 -0.52 -0.23 0.00 -1.18 0.00 0.00 61.69 59.82 3k4m s THR 588 Cb 0.13 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3k4m s THR 588 CO 0.71 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 175.57 3k4m s ALA 589 N -3.08 3.36 -0.01 3.99 0.00 -1.26 -4.83 121.76 119.93 3k4m s ALA 589 Ca 0.63 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3k4m s ALA 589 Cb -0.08 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 3k4m s ALA 589 CO 0.43 -1.68 -0.08 1.52 0.00 0.00 0.00 175.76 175.94 3k4m s TYR 590 N 3.20 0.80 -0.17 0.00 1.13 -1.26 -4.48 117.35 116.57 3k4m s TYR 590 Ca 0.31 -0.17 -0.04 0.00 -1.41 0.00 0.00 57.07 55.76 3k4m s TYR 590 Cb -0.13 -0.55 -0.23 0.00 -1.10 0.00 0.00 41.96 39.96 3k4m s TYR 590 CO 0.20 -0.05 0.14 0.41 -2.51 0.00 0.00 175.55 173.74 3k4m n GLY 591 N 3.08 -0.49 3.68 5.49 0.00 -1.26 -4.13 105.19 111.57 3k4m n GLY 591 Ca -0.16 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3k4m n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 592 N -2.54 1.62 0.19 4.61 0.00 -1.26 -4.48 121.76 119.89 3k4m s ALA 592 Ca -0.27 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.05 3k4m s ALA 592 Cb 0.08 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 3k4m s ALA 592 CO 0.70 -2.58 1.50 -0.80 0.00 0.00 0.00 175.76 174.58 3k4m s ASN 593 N -2.51 6.64 0.00 0.00 -0.87 -1.26 -4.94 114.94 112.00 3k4m s ASN 593 Ca 0.69 2.59 0.24 0.00 -1.57 0.00 0.00 52.86 54.81 3k4m s ASN 593 Cb -0.25 -2.60 0.25 0.00 -0.02 0.00 0.00 41.25 38.63 3k4m s ASN 593 CO 0.55 -0.76 1.26 -0.81 -2.57 0.00 0.00 177.10 174.78 3k4m n PRO 594 N 3.41 1.49 -0.25 -0.60 -0.04 -1.26 -4.42 135.00 133.32 3k4m n PRO 594 Ca 0.11 -1.17 -0.06 0.00 -0.04 0.00 0.00 63.50 62.35 3k4m n PRO 594 Cb 0.40 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 3k4m n PRO 594 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3k4m h THR 595 N 2.84 1.26 -0.84 0.52 2.02 -1.92 0.04 112.91 116.83 3k4m h THR 595 Ca 0.00 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3k4m h THR 595 Cb 0.76 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3k4m h THR 595 CO 0.00 0.35 0.47 0.25 0.37 0.00 0.00 175.52 176.97 3k4m h LEU 596 N 1.06 1.04 -0.28 2.58 5.85 -1.85 0.62 115.31 124.33 3k4m h LEU 596 Ca 0.23 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3k4m h LEU 596 Cb 0.31 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3k4m h LEU 596 CO -0.01 0.83 0.06 0.74 -0.34 0.00 0.00 178.44 179.72 3k4m h THR 597 N 1.18 1.22 -0.54 1.05 2.02 -1.63 -0.21 112.91 116.00 3k4m h THR 597 Ca 0.30 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3k4m h THR 597 Cb 0.01 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3k4m h THR 597 CO -0.05 0.25 0.36 0.00 0.37 0.00 0.00 175.52 176.44 3k4m h ALA 598 N 0.88 1.72 -0.13 6.16 0.00 -0.37 -1.45 119.26 126.08 3k4m h ALA 598 Ca 0.09 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3k4m h ALA 598 Cb 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k4m h ALA 598 CO 0.00 0.22 -0.58 1.98 0.00 0.00 0.00 179.25 180.88 3k4m h MET 599 N 0.63 0.62 -0.96 0.00 -1.53 -0.50 -1.79 114.93 111.41 3k4m h MET 599 Ca 0.22 -0.50 0.15 0.00 -3.44 0.00 0.00 59.70 56.13 3k4m h MET 599 Cb 0.08 0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 31.14 3k4m h MET 599 CO -0.06 1.12 0.61 0.77 0.14 0.00 0.00 176.91 179.49 3k4m h SER 600 N 0.27 0.77 -0.13 1.39 0.02 -0.12 -1.26 113.55 114.49 3k4m h SER 600 Ca -0.04 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 3k4m h SER 600 Cb 1.22 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.67 3k4m h SER 600 CO 0.12 0.37 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.53 3k4m h LEU 601 N 0.80 0.74 -2.21 5.07 3.38 -1.09 -2.60 115.31 119.40 3k4m h LEU 601 Ca 0.49 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3k4m h LEU 601 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3k4m h LEU 601 CO -0.26 1.24 0.22 0.00 0.09 0.00 0.00 178.44 179.73 3k4m h ALA 602 N 0.51 1.80 0.14 1.53 0.00 -0.54 -0.95 119.26 121.75 3k4m h ALA 602 Ca -0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 3k4m h ALA 602 Cb 1.22 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.05 3k4m h ALA 602 CO 0.12 -0.32 -1.17 0.82 0.00 0.00 0.00 179.25 178.70 3k4m h ILE 603 N 0.00 1.33 -0.31 0.00 2.04 -0.90 -2.48 117.51 117.19 3k4m h ILE 603 Ca 0.09 -2.48 0.01 0.00 1.00 0.00 0.00 64.86 63.48 3k4m h ILE 603 Cb 0.53 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.43 3k4m h ILE 603 CO -0.00 0.74 0.21 0.50 0.00 0.00 0.00 178.15 179.60 3k4m h LYS 604 N 0.12 0.39 0.07 2.37 3.64 -0.89 -2.17 116.57 120.10 3k4m h LYS 604 Ca -0.19 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.91 3k4m h LYS 604 Cb 1.87 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.61 3k4m h LYS 604 CO 0.22 0.26 -1.10 1.03 -2.27 0.00 0.00 179.45 177.59 3k4m h SER 605 N 0.40 0.57 -0.05 4.20 0.87 -1.10 -2.46 113.55 115.98 3k4m h SER 605 Ca 0.12 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 3k4m h SER 605 Cb -0.02 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3k4m h SER 605 CO -0.03 1.35 -0.02 0.00 -0.53 0.00 0.00 176.83 177.60 3k4m h GLU 607 N 0.21 0.87 -0.17 0.00 5.08 -0.94 0.14 114.58 119.77 3k4m h GLU 607 Ca 0.05 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3k4m h GLU 607 Cb 0.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3k4m h GLU 607 CO 0.01 0.89 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.89 3k4m h TYR 608 N 0.80 0.41 -0.94 4.33 5.03 -1.12 -3.15 116.97 122.33 3k4m h TYR 608 Ca 0.15 -0.10 0.10 0.00 2.58 0.00 0.00 58.73 61.46 3k4m h TYR 608 Cb 0.52 -0.09 -0.08 0.00 1.55 0.00 0.00 36.73 38.63 3k4m h TYR 608 CO 0.03 0.67 0.58 0.82 -1.32 0.00 0.00 178.16 178.94 3k4m h ILE 609 N 0.02 0.94 0.00 1.81 2.04 -0.67 -1.89 117.51 119.76 3k4m h ILE 609 Ca 0.04 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3k4m h ILE 609 Cb 0.57 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3k4m h ILE 609 CO 0.03 0.17 0.00 0.11 0.00 0.00 0.00 178.15 178.46 3k4m h LYS 610 N 0.95 0.00 -0.09 2.37 1.57 -0.68 -2.53 116.57 118.15 3k4m h LYS 610 Ca 0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3k4m h LYS 610 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3k4m h LYS 610 CO -0.25 0.00 -0.00 1.04 -0.57 0.00 0.00 179.45 179.67 3k4m n GLN 611 N -2.60 1.82 0.00 3.15 6.02 -0.72 -4.56 117.38 120.50 3k4m n GLN 611 Ca 0.01 -2.67 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 3k4m n GLN 611 Cb 0.23 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3k4m n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4m n ASN 612 N -1.13 0.00 -3.90 1.08 3.02 -1.05 -5.08 115.26 108.20 3k4m n ASN 612 Ca 0.18 -0.66 -0.11 0.00 -0.03 0.00 0.00 54.58 53.96 3k4m n ASN 612 Cb 0.73 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.78 3k4m n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4m s PHE 613 N 0.00 0.08 -0.13 3.10 0.08 -0.98 -5.07 117.98 115.05 3k4m s PHE 613 Ca 0.00 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 3k4m s PHE 613 Cb 0.00 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.36 3k4m s PHE 613 CO 0.00 -0.13 -0.12 0.99 -0.10 0.00 0.00 175.22 175.87 3k4m s THR 614 N -0.75 3.18 0.76 0.64 2.01 -1.26 -4.73 115.64 115.49 3k4m s THR 614 Ca -0.08 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 3k4m s THR 614 Cb -0.05 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.12 3k4m s THR 614 CO -0.00 0.52 0.76 -2.65 -0.69 0.00 0.00 174.62 172.56 3k4m n PRO 615 N 3.52 0.28 -2.89 4.92 -0.02 -1.26 -4.94 135.00 134.62 3k4m n PRO 615 Ca -0.18 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.08 3k4m n PRO 615 Cb 0.53 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 3k4m n PRO 615 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k4m s SER 616 N -1.69 7.26 0.05 2.55 1.04 -1.26 -4.99 113.70 116.66 3k4m s SER 616 Ca 0.68 1.70 -0.38 0.00 0.48 0.00 0.00 55.95 58.43 3k4m s SER 616 Cb -0.32 -2.53 -0.18 0.00 0.10 0.00 0.00 66.02 63.09 3k4m s SER 616 CO 0.55 -0.02 1.23 -2.65 0.98 0.00 0.00 173.24 173.34 3k4m n PRO 617 N 0.68 0.69 0.00 4.02 -0.01 -1.26 -4.94 135.00 134.18 3k4m n PRO 617 Ca 0.00 0.25 0.08 0.00 -0.01 0.00 0.00 63.50 63.82 3k4m n PRO 617 Cb 0.50 -1.83 0.48 0.00 -0.01 0.00 0.00 33.50 32.63 3k4m n PRO 617 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83