#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mkq s LEU 3 N 0.00 2.58 -1.17 -0.35 1.43 -1.26 -5.06 118.68 114.85 3mkq s LEU 3 Ca 0.00 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 3mkq s LEU 3 Cb 0.00 -1.53 0.23 0.00 0.03 0.00 0.00 46.19 44.92 3mkq s LEU 3 CO 0.00 0.26 1.39 -0.67 0.23 0.00 0.00 176.35 177.56 3mkq n ASP 4 N 2.85 5.49 -4.70 2.29 2.03 -1.09 -5.00 116.55 118.42 3mkq n ASP 4 Ca -0.18 -3.08 -0.42 0.00 0.52 0.00 0.00 54.79 51.63 3mkq n ASP 4 Cb 0.52 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 3mkq n ASP 4 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3mkq s ILE 5 N -0.26 4.18 -0.03 5.18 -1.09 -1.26 -3.41 121.20 124.50 3mkq s ILE 5 Ca 0.36 1.54 0.03 0.00 -2.23 0.00 0.00 60.65 60.35 3mkq s ILE 5 Cb -0.03 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3mkq s ILE 5 CO -0.01 0.05 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.09 3mkq s LYS 6 N 1.72 1.27 -0.88 2.79 1.02 -0.41 -4.99 119.74 120.27 3mkq s LYS 6 Ca 0.57 -0.40 -0.21 0.00 0.02 0.00 0.00 55.97 55.95 3mkq s LYS 6 Cb -0.27 -1.14 0.09 0.00 -0.52 0.00 0.00 37.83 36.00 3mkq s LYS 6 CO 0.25 0.14 1.17 0.21 -0.92 0.00 0.00 175.35 176.20 3mkq s LYS 7 N 0.20 3.46 0.41 1.68 2.20 -1.26 -1.14 119.74 125.29 3mkq s LYS 7 Ca -0.04 -1.33 0.19 0.00 -0.36 0.00 0.00 55.97 54.42 3mkq s LYS 7 Cb -0.10 -4.82 0.91 0.00 -1.51 0.00 0.00 37.83 32.31 3mkq s LYS 7 CO 0.01 -1.90 1.87 0.00 -0.36 0.00 0.00 175.35 174.97 3mkq h THR 8 N 6.09 0.95 -1.22 3.43 1.03 -1.82 -3.46 112.91 117.91 3mkq h THR 8 Ca 0.04 -1.14 0.16 0.00 -0.01 0.00 0.00 66.41 65.47 3mkq h THR 8 Cb 1.03 1.66 -0.31 0.00 -1.07 0.00 0.00 68.15 69.46 3mkq h THR 8 CO 1.20 0.29 0.70 0.12 -0.01 0.00 0.00 175.52 177.83 3mkq s PHE 9 N -4.02 -0.20 0.09 0.00 5.99 -0.98 -4.87 117.98 113.98 3mkq s PHE 9 Ca -0.02 0.45 0.06 0.00 0.00 0.00 0.00 56.93 57.42 3mkq s PHE 9 Cb 0.13 0.32 -0.03 0.00 0.00 0.00 0.00 43.02 43.43 3mkq s PHE 9 CO 0.67 -0.10 -0.16 -1.12 -0.00 0.00 0.00 175.22 174.52 3mkq s SER 10 N 0.54 1.93 -0.15 6.13 0.01 -1.26 -0.91 113.70 119.99 3mkq s SER 10 Ca -0.00 -0.66 -0.14 0.00 1.31 0.00 0.00 55.95 56.46 3mkq s SER 10 Cb -0.04 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.16 3mkq s SER 10 CO -0.12 -0.05 0.41 0.21 0.41 0.00 0.00 173.24 174.09 3mkq s ASN 11 N -1.89 -0.42 -0.09 2.44 2.47 -0.76 -5.01 114.94 111.68 3mkq s ASN 11 Ca 0.02 0.81 -0.06 0.00 0.42 0.00 0.00 52.86 54.05 3mkq s ASN 11 Cb -0.09 0.82 -0.04 0.00 -1.45 0.00 0.00 41.25 40.49 3mkq s ASN 11 CO 0.03 -0.14 0.15 -0.13 -3.72 0.00 0.00 177.10 173.29 3mkq s ARG 12 N 0.20 3.44 0.04 0.43 0.52 -1.26 -2.03 118.95 120.30 3mkq s ARG 12 Ca -0.00 -0.19 -0.07 0.00 -0.52 0.00 0.00 55.73 54.96 3mkq s ARG 12 Cb -0.03 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.30 3mkq s ARG 12 CO 0.01 0.75 0.31 -1.13 0.02 0.00 0.00 175.30 175.26 3mkq n SER 13 N 1.68 -0.48 -4.65 0.23 3.41 -0.30 -4.93 113.62 108.58 3mkq n SER 13 Ca -0.17 -1.24 -0.30 0.00 -0.26 0.00 0.00 58.87 56.90 3mkq n SER 13 Cb 0.54 0.78 0.17 0.00 -0.26 0.00 0.00 64.21 65.45 3mkq n SER 13 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3mkq s ASP 14 N -1.73 2.73 0.11 4.04 -0.00 -1.26 -3.48 116.67 117.08 3mkq s ASP 14 Ca 0.07 1.59 -0.36 0.00 -0.00 0.00 0.00 52.55 53.85 3mkq s ASP 14 Cb -0.01 -2.25 -0.17 0.00 -0.00 0.00 0.00 42.92 40.50 3mkq s ASP 14 CO 0.01 -3.12 1.26 -1.14 -0.00 0.00 0.00 175.17 172.19 3mkq n ARG 15 N -4.21 1.08 -3.94 8.23 0.63 -0.66 -4.20 116.66 113.58 3mkq n ARG 15 Ca 0.07 0.39 -0.35 0.00 -0.92 0.00 0.00 57.85 57.03 3mkq n ARG 15 Cb 0.55 -1.97 -0.12 0.00 0.45 0.00 0.00 32.46 31.36 3mkq n ARG 15 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3mkq s VAL 16 N 0.23 4.08 -0.24 5.15 -7.23 -0.73 -0.82 120.40 120.84 3mkq s VAL 16 Ca 0.81 -0.26 0.22 0.00 -1.81 0.00 0.00 61.98 60.94 3mkq s VAL 16 Cb -0.94 -2.87 -0.21 0.00 0.56 0.00 0.00 36.38 32.92 3mkq s VAL 16 CO 0.49 0.40 0.74 0.29 -0.31 0.00 0.00 175.10 176.71 3mkq n LYS 17 N 4.49 0.54 -4.04 4.82 4.76 0.44 -3.89 118.16 125.27 3mkq n LYS 17 Ca -0.17 -0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.09 3mkq n LYS 17 Cb 0.52 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.99 3mkq n LYS 17 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3mkq s GLY 18 N -4.23 0.43 -0.07 0.72 0.00 -1.02 -4.55 107.32 98.60 3mkq s GLY 18 Ca -0.03 -0.78 -0.21 0.00 0.00 0.00 0.00 44.72 43.70 3mkq s GLY 18 CO 0.86 -0.85 0.48 -1.50 0.00 0.00 0.00 173.10 172.09 3mkq s ILE 19 N -1.77 0.02 -0.16 0.90 2.07 -1.26 -1.26 121.20 119.75 3mkq s ILE 19 Ca -0.09 -0.21 -0.23 0.00 -1.41 0.00 0.00 60.65 58.72 3mkq s ILE 19 Cb -0.08 -0.76 0.06 0.00 0.13 0.00 0.00 42.46 41.81 3mkq s ILE 19 CO -0.01 -0.11 0.59 -0.62 -1.91 0.00 0.00 174.94 172.87 3mkq s ASP 20 N -0.90 -0.59 -0.06 4.50 3.68 -0.32 -4.66 116.67 118.33 3mkq s ASP 20 Ca -0.09 0.97 -0.14 0.00 2.13 0.00 0.00 52.55 55.42 3mkq s ASP 20 Cb -0.03 0.97 -0.05 0.00 -1.45 0.00 0.00 42.92 42.35 3mkq s ASP 20 CO 0.05 -0.33 0.36 -0.36 0.13 0.00 0.00 175.17 175.02 3mkq s PHE 21 N -0.22 3.64 0.25 -5.34 0.40 -1.26 0.25 117.98 115.69 3mkq s PHE 21 Ca -0.04 0.85 -0.30 0.00 -0.60 0.00 0.00 56.93 56.84 3mkq s PHE 21 Cb -0.03 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.13 3mkq s PHE 21 CO 0.03 0.54 0.94 -1.58 0.70 0.00 0.00 175.22 175.85 3mkq s HIS 22 N -0.63 3.97 0.42 0.36 5.65 -0.71 -4.80 115.29 119.54 3mkq s HIS 22 Ca 0.21 1.91 0.15 0.00 0.25 0.00 0.00 55.06 57.58 3mkq s HIS 22 Cb -0.15 -2.98 0.94 0.00 -1.18 0.00 0.00 32.58 29.22 3mkq s HIS 22 CO 0.10 0.44 1.95 -1.35 -0.65 0.00 0.00 174.74 175.23 3mkq h PRO 23 N 4.08 0.00 0.00 2.88 0.11 -1.97 -3.37 132.00 133.73 3mkq h PRO 23 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mkq h PRO 23 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mkq h PRO 23 CO 0.68 0.24 0.00 0.25 -0.21 0.00 0.00 178.00 178.96 3mkq n THR 24 N -4.20 0.00 -4.51 -1.15 -2.24 -1.26 -4.95 114.28 95.96 3mkq n THR 24 Ca -0.02 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 3mkq n THR 24 Cb 0.30 1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 3mkq n THR 24 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mkq s GLU 25 N -0.23 2.72 -0.43 -0.78 2.56 -1.26 -4.99 118.70 116.28 3mkq s GLU 25 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.97 54.33 3mkq s GLU 25 Cb 0.00 -2.59 -0.14 0.00 2.00 0.00 0.00 34.13 33.39 3mkq s GLU 25 CO 0.00 0.65 2.58 -2.30 -0.56 0.00 0.00 175.26 175.63 3mkq n PRO 26 N 1.92 1.86 -4.27 4.30 -0.02 -1.26 -4.39 135.00 133.15 3mkq n PRO 26 Ca -0.17 -1.08 -0.24 0.00 -2.02 0.00 0.00 63.50 60.00 3mkq n PRO 26 Cb 0.53 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 3mkq n PRO 26 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3mkq s TRP 27 N 2.13 2.74 -0.00 6.00 0.51 -1.26 -1.74 118.94 127.32 3mkq s TRP 27 Ca 0.48 -0.20 0.01 0.00 -2.12 0.00 0.00 56.10 54.27 3mkq s TRP 27 Cb 0.19 -1.24 -0.00 0.00 -0.81 0.00 0.00 33.47 31.60 3mkq s TRP 27 CO -0.02 0.59 -0.02 0.54 -0.51 0.00 0.00 176.95 177.53 3mkq s VAL 28 N -2.17 0.18 -0.09 4.03 0.11 -0.62 -1.75 120.40 120.09 3mkq s VAL 28 Ca 0.30 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.24 3mkq s VAL 28 Cb -0.07 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 3mkq s VAL 28 CO 0.20 0.06 0.01 -0.22 -3.33 0.00 0.00 175.10 171.81 3mkq s LEU 29 N -0.01 3.63 -0.04 2.54 2.96 0.14 -1.31 118.68 126.59 3mkq s LEU 29 Ca 0.00 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3mkq s LEU 29 Cb -0.01 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3mkq s LEU 29 CO -0.00 0.37 -0.07 0.42 -1.32 0.00 0.00 176.35 175.75 3mkq s THR 30 N -0.82 0.69 -0.17 3.68 -4.23 -0.43 -1.18 115.64 113.18 3mkq s THR 30 Ca 0.13 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 3mkq s THR 30 Cb -0.11 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 3mkq s THR 30 CO 0.02 0.24 -0.04 0.42 -0.54 0.00 0.00 174.62 174.73 3mkq s THR 31 N 0.57 3.75 0.26 3.99 -4.23 -0.39 -0.75 115.64 118.84 3mkq s THR 31 Ca -0.09 -0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 3mkq s THR 31 Cb -0.12 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 3mkq s THR 31 CO 0.01 0.47 0.35 -0.76 -0.54 0.00 0.00 174.62 174.15 3mkq s LEU 32 N 0.65 4.19 0.55 4.79 1.43 0.17 -0.42 118.68 130.04 3mkq s LEU 32 Ca -0.02 -0.02 0.36 0.00 -1.03 0.00 0.00 54.13 53.42 3mkq s LEU 32 Cb -0.14 -2.76 1.67 0.00 0.03 0.00 0.00 46.19 44.99 3mkq s LEU 32 CO 0.02 -0.12 2.07 0.22 0.23 0.00 0.00 176.35 178.78 3mkq h TYR 33 N 1.18 0.00 0.00 0.29 3.20 -1.23 -1.42 116.97 118.98 3mkq h TYR 33 Ca -0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3mkq h TYR 33 Cb 1.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3mkq h TYR 33 CO 0.46 0.00 -0.29 0.66 -1.64 0.00 0.00 178.16 177.35 3mkq h SER 34 N 0.00 0.00 0.00 -2.11 4.64 -1.84 -3.17 113.55 111.07 3mkq h SER 34 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3mkq h SER 34 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3mkq h SER 34 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3mkq n GLY 35 N 1.26 0.76 3.84 -0.77 0.00 -1.02 -4.46 105.19 104.80 3mkq n GLY 35 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3mkq n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mkq s ARG 36 N -0.49 4.07 -0.03 1.61 1.81 -1.26 -1.03 118.95 123.63 3mkq s ARG 36 Ca 0.00 0.75 0.02 0.00 -1.72 0.00 0.00 55.73 54.77 3mkq s ARG 36 Cb 0.00 -2.48 0.01 0.00 -0.45 0.00 0.00 34.95 32.03 3mkq s ARG 36 CO 0.00 0.18 -0.06 0.14 -0.68 0.00 0.00 175.30 174.88 3mkq s VAL 37 N -1.92 0.57 0.26 3.52 -7.23 -0.37 -0.65 120.40 114.57 3mkq s VAL 37 Ca 0.53 -0.22 0.05 0.00 -1.81 0.00 0.00 61.98 60.53 3mkq s VAL 37 Cb -0.11 -0.54 -0.06 0.00 0.56 0.00 0.00 36.38 36.23 3mkq s VAL 37 CO 0.18 0.20 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.52 3mkq s GLU 38 N 0.39 1.46 -0.05 4.82 2.02 0.07 -0.76 118.70 126.65 3mkq s GLU 38 Ca -0.05 -1.74 0.01 0.00 0.02 0.00 0.00 54.97 53.21 3mkq s GLU 38 Cb -0.09 -0.92 0.02 0.00 0.10 0.00 0.00 34.13 33.24 3mkq s GLU 38 CO 0.00 -0.02 -0.06 0.42 0.02 0.00 0.00 175.26 175.62 3mkq s ILE 39 N -3.19 0.65 0.00 -1.63 1.01 -0.73 -1.31 121.20 116.00 3mkq s ILE 39 Ca 0.29 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.82 3mkq s ILE 39 Cb 0.05 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3mkq s ILE 39 CO 0.10 0.25 -0.18 0.26 0.00 0.00 0.00 174.94 175.37 3mkq s TRP 40 N 0.92 1.64 -0.57 3.97 0.52 -0.42 -0.88 118.94 124.12 3mkq s TRP 40 Ca -0.11 -0.33 -0.21 0.00 0.02 0.00 0.00 56.10 55.48 3mkq s TRP 40 Cb -0.14 -1.03 0.07 0.00 -1.15 0.00 0.00 33.47 31.21 3mkq s TRP 40 CO 0.00 0.00 0.79 1.21 0.02 0.00 0.00 176.95 178.98 3mkq s ASN 41 N -0.65 6.22 0.00 2.95 3.04 -0.58 -1.59 114.94 124.33 3mkq s ASN 41 Ca 0.07 -0.95 0.25 0.00 0.04 0.00 0.00 52.86 52.27 3mkq s ASN 41 Cb -0.07 -2.35 1.45 0.00 -1.54 0.00 0.00 41.25 38.73 3mkq s ASN 41 CO 0.00 -1.15 1.86 0.00 -3.04 0.00 0.00 177.10 174.78 3mkq n TYR 42 N 6.84 0.00 -0.09 0.43 0.18 -0.71 -0.50 117.16 123.32 3mkq n TYR 42 Ca -0.05 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.56 3mkq n TYR 42 Cb 0.45 -0.07 -0.13 0.00 -0.38 0.00 0.00 39.34 39.21 3mkq n TYR 42 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3mkq n GLU 43 N -1.07 0.68 0.04 -3.48 1.02 -1.26 -4.35 120.64 112.22 3mkq n GLU 43 Ca 0.17 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 3mkq n GLU 43 Cb 0.11 -1.58 -0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3mkq n GLU 43 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3mkq n THR 44 N -3.23 0.28 -2.40 2.62 -2.24 -1.20 -4.97 114.28 103.14 3mkq n THR 44 Ca -0.39 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 60.89 3mkq n THR 44 Cb 1.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3mkq n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mkq n GLN 45 N -2.22 -1.69 -4.58 -0.78 6.02 0.35 -5.02 117.38 109.45 3mkq n GLN 45 Ca 0.01 0.62 -0.34 0.00 -0.01 0.00 0.00 57.00 57.28 3mkq n GLN 45 Cb 0.49 -4.84 -0.12 0.00 1.02 0.00 0.00 30.24 26.78 3mkq n GLN 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3mkq s VAL 46 N -2.75 3.61 -0.10 5.09 1.01 -1.12 -4.96 120.40 121.18 3mkq s VAL 46 Ca 0.06 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3mkq s VAL 46 Cb -0.03 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3mkq s VAL 46 CO 0.07 0.54 1.14 -0.70 0.00 0.00 0.00 175.10 176.15 3mkq s GLU 47 N -0.09 4.35 -0.04 2.72 2.12 -1.26 -1.52 118.70 124.98 3mkq s GLU 47 Ca 0.01 1.56 -0.19 0.00 0.36 0.00 0.00 54.97 56.71 3mkq s GLU 47 Cb -0.13 -3.59 -0.12 0.00 0.26 0.00 0.00 34.13 30.55 3mkq s GLU 47 CO 0.03 -0.46 0.80 0.28 -0.54 0.00 0.00 175.26 175.38 3mkq h VAL 48 N 5.14 0.43 -3.49 3.70 2.07 -1.35 -3.48 116.25 119.27 3mkq h VAL 48 Ca -0.31 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3mkq h VAL 48 Cb 1.14 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.50 3mkq h VAL 48 CO 0.89 0.10 -0.10 -0.60 0.02 0.00 0.00 177.57 177.89 3mkq s ARG 49 N -3.53 1.23 -0.07 1.57 3.52 -1.20 -5.00 118.95 115.46 3mkq s ARG 49 Ca -0.11 -0.92 -0.04 0.00 -0.13 0.00 0.00 55.73 54.53 3mkq s ARG 49 Cb 0.01 0.47 0.03 0.00 -1.56 0.00 0.00 34.95 33.89 3mkq s ARG 49 CO 0.37 -0.49 0.17 0.45 -0.81 0.00 0.00 175.30 174.99 3mkq s SER 50 N -2.88 -0.16 -0.04 -2.12 0.15 -1.26 -1.77 113.70 105.61 3mkq s SER 50 Ca 0.10 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.11 3mkq s SER 50 Cb 0.01 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 3mkq s SER 50 CO -0.04 -0.12 -0.04 -0.63 1.20 0.00 0.00 173.24 173.61 3mkq s ILE 51 N 0.78 0.52 -0.96 6.45 1.01 0.06 -4.99 121.20 124.07 3mkq s ILE 51 Ca -0.06 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 3mkq s ILE 51 Cb -0.07 -0.55 0.12 0.00 0.01 0.00 0.00 42.46 41.97 3mkq s ILE 51 CO -0.04 0.22 1.19 -1.58 0.00 0.00 0.00 174.94 174.73 3mkq s GLN 52 N 0.89 3.64 0.08 2.79 2.00 -1.26 -1.23 119.66 126.56 3mkq s GLN 52 Ca -0.12 -1.74 -0.19 0.00 -2.00 0.00 0.00 55.36 51.32 3mkq s GLN 52 Cb -0.14 -4.99 -0.09 0.00 0.80 0.00 0.00 33.01 28.59 3mkq s GLN 52 CO 0.00 -1.83 1.49 0.28 -0.50 0.00 0.00 175.29 174.73 3mkq h VAL 53 N 5.87 1.27 -2.75 1.34 2.07 -1.43 -3.48 116.25 119.13 3mkq h VAL 53 Ca 0.18 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3mkq h VAL 53 Cb 1.01 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3mkq h VAL 53 CO 1.16 0.31 0.38 0.35 0.02 0.00 0.00 177.57 179.79 3mkq n THR 54 N -4.60 0.00 1.09 2.57 -2.24 -1.15 -5.02 114.28 104.94 3mkq n THR 54 Ca -0.04 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.09 3mkq n THR 54 Cb 0.27 0.85 0.18 0.00 -2.10 0.00 0.00 70.33 69.53 3mkq n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mkq n GLU 55 N -0.57 0.57 -3.37 -0.78 4.71 -1.26 -4.02 120.64 115.91 3mkq n GLU 55 Ca -0.06 -0.39 -0.25 0.00 -0.01 0.00 0.00 57.16 56.45 3mkq n GLU 55 Cb 0.55 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.47 3mkq n GLU 55 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 3mkq s THR 56 N -2.70 5.09 0.48 2.62 -1.32 -1.26 -4.71 115.64 113.84 3mkq s THR 56 Ca 0.17 -0.35 -0.22 0.00 -1.21 0.00 0.00 61.69 60.08 3mkq s THR 56 Cb 0.18 -3.83 -0.07 0.00 -1.51 0.00 0.00 72.50 67.27 3mkq s THR 56 CO 0.63 -0.50 1.16 -2.16 -2.21 0.00 0.00 174.62 171.54 3mkq s PRO 57 N -4.13 3.67 -0.41 7.08 0.04 -1.20 -3.20 135.00 136.85 3mkq s PRO 57 Ca 0.41 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 3mkq s PRO 57 Cb -0.10 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.20 3mkq s PRO 57 CO 0.35 -0.61 0.24 0.08 0.04 0.00 0.00 177.00 177.09 3mkq s VAL 58 N -1.60 4.04 0.03 -0.36 1.01 -0.57 -0.97 120.40 121.98 3mkq s VAL 58 Ca 0.66 -1.48 0.10 0.00 0.00 0.00 0.00 61.98 61.26 3mkq s VAL 58 Cb -0.27 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 3mkq s VAL 58 CO 0.33 -0.51 1.20 0.03 0.00 0.00 0.00 175.10 176.16 3mkq h ARG 59 N 8.34 0.00 -6.59 2.72 3.08 -1.67 -3.35 114.38 116.91 3mkq h ARG 59 Ca -0.22 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.19 3mkq h ARG 59 Cb 1.08 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.89 3mkq h ARG 59 CO 0.74 0.79 -0.86 0.00 -1.07 0.00 0.00 179.97 179.57 3mkq s ALA 60 N -2.76 2.14 -0.28 0.04 0.00 -1.04 -3.50 121.76 116.35 3mkq s ALA 60 Ca 0.01 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 3mkq s ALA 60 Cb 0.09 -0.37 0.11 0.00 0.00 0.00 0.00 23.12 22.95 3mkq s ALA 60 CO 0.80 0.48 0.83 0.20 0.00 0.00 0.00 175.76 178.08 3mkq s GLY 61 N -1.72 -0.35 0.01 0.00 0.00 -1.26 -1.33 107.32 102.67 3mkq s GLY 61 Ca 0.11 2.65 -0.05 0.00 0.00 0.00 0.00 44.72 47.43 3mkq s GLY 61 CO 0.04 2.32 0.08 0.54 0.00 0.00 0.00 173.10 176.08 3mkq s LYS 62 N 1.21 0.44 0.51 2.90 -0.14 -0.26 -4.51 119.74 119.90 3mkq s LYS 62 Ca -0.07 -0.50 -0.06 0.00 -1.36 0.00 0.00 55.97 53.99 3mkq s LYS 62 Cb -0.05 0.18 -0.03 0.00 -1.68 0.00 0.00 37.83 36.25 3mkq s LYS 62 CO -0.14 -0.10 0.83 -0.06 -0.76 0.00 0.00 175.35 175.12 3mkq s PHE 63 N -1.52 3.52 -0.41 3.18 0.40 -1.26 -0.48 117.98 121.42 3mkq s PHE 63 Ca -0.14 0.83 0.08 0.00 -0.60 0.00 0.00 56.93 57.10 3mkq s PHE 63 Cb -0.08 -2.41 0.27 0.00 0.51 0.00 0.00 43.02 41.31 3mkq s PHE 63 CO 0.00 -0.40 0.67 -0.89 0.70 0.00 0.00 175.22 175.30 3mkq n ILE 64 N -2.36 -0.42 -0.28 0.64 5.41 0.16 -4.85 119.36 117.67 3mkq n ILE 64 Ca 0.02 -3.42 0.10 0.00 1.00 0.00 0.00 62.75 60.44 3mkq n ILE 64 Cb 0.55 -0.74 0.24 0.00 -0.71 0.00 0.00 39.64 38.99 3mkq n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mkq h ALA 65 N 3.78 1.14 -1.11 -1.39 0.00 -1.95 -0.12 119.26 119.61 3mkq h ALA 65 Ca 0.02 0.19 0.32 0.00 0.00 0.00 0.00 54.91 55.44 3mkq h ALA 65 Cb 0.94 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3mkq h ALA 65 CO 0.42 -0.39 1.11 0.00 0.00 0.00 0.00 179.25 180.39 3mkq h ARG 66 N 0.26 0.00 0.00 0.00 3.08 -1.94 0.40 114.38 116.17 3mkq h ARG 66 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3mkq h ARG 66 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3mkq h ARG 66 CO -0.58 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 179.95 3mkq n LYS 67 N -3.49 0.22 -2.61 0.04 4.76 -0.12 -5.01 118.16 111.96 3mkq n LYS 67 Ca 0.24 -0.70 -0.16 0.00 -2.87 0.00 0.00 58.31 54.83 3mkq n LYS 67 Cb 1.46 -0.91 0.01 0.00 -1.84 0.00 0.00 35.03 33.75 3mkq n LYS 67 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3mkq n ASN 68 N -0.13 -4.70 -4.69 4.39 5.03 0.14 -4.97 115.26 110.33 3mkq n ASN 68 Ca 0.00 -0.14 -0.30 0.00 0.87 0.00 0.00 54.58 55.02 3mkq n ASN 68 Cb 0.12 -3.66 -0.09 0.00 -1.02 0.00 0.00 39.78 35.13 3mkq n ASN 68 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3mkq s TRP 69 N -2.90 2.25 0.01 3.10 0.51 -0.96 -1.16 118.94 119.79 3mkq s TRP 69 Ca 0.14 -0.78 0.01 0.00 -2.12 0.00 0.00 56.10 53.35 3mkq s TRP 69 Cb -0.06 -1.73 -0.01 0.00 -0.81 0.00 0.00 33.47 30.86 3mkq s TRP 69 CO 0.17 0.32 -0.04 0.96 -0.51 0.00 0.00 176.95 177.85 3mkq s ILE 70 N -2.77 0.28 -0.08 2.03 -4.36 -0.54 -0.66 121.20 115.10 3mkq s ILE 70 Ca 0.24 -0.47 0.02 0.00 -0.26 0.00 0.00 60.65 60.18 3mkq s ILE 70 Cb 0.06 -0.30 0.01 0.00 1.25 0.00 0.00 42.46 43.48 3mkq s ILE 70 CO 0.13 -0.13 -0.14 -0.51 0.24 0.00 0.00 174.94 174.53 3mkq s ILE 71 N -0.60 1.33 0.09 8.37 2.07 0.37 -1.68 121.20 131.14 3mkq s ILE 71 Ca -0.04 -0.58 0.08 0.00 -1.41 0.00 0.00 60.65 58.70 3mkq s ILE 71 Cb -0.05 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 3mkq s ILE 71 CO -0.00 0.40 -0.21 0.68 -1.91 0.00 0.00 174.94 173.90 3mkq s VAL 72 N 0.71 1.72 -0.07 4.00 -7.23 -0.49 -1.10 120.40 117.96 3mkq s VAL 72 Ca -0.13 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3mkq s VAL 72 Cb -0.16 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.23 3mkq s VAL 72 CO 0.03 0.02 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.80 3mkq s GLY 73 N -1.70 1.15 0.25 2.32 0.00 -0.44 -1.68 107.32 107.21 3mkq s GLY 73 Ca 0.07 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.97 3mkq s GLY 73 CO 0.04 -0.40 0.01 -1.35 0.00 0.00 0.00 173.10 171.40 3mkq s SER 74 N 0.11 1.93 0.23 1.64 1.04 -0.88 -2.13 113.70 115.64 3mkq s SER 74 Ca -0.09 -1.25 0.15 0.00 0.48 0.00 0.00 55.95 55.24 3mkq s SER 74 Cb -0.14 -0.01 0.82 0.00 0.10 0.00 0.00 66.02 66.78 3mkq s SER 74 CO 0.05 -0.53 1.45 0.47 0.98 0.00 0.00 173.24 175.66 3mkq n ASP 75 N -0.48 0.39 -0.92 7.02 9.92 -0.15 -1.09 116.55 131.25 3mkq n ASP 75 Ca -0.04 0.68 0.03 0.00 -0.53 0.00 0.00 54.79 54.92 3mkq n ASP 75 Cb 0.64 -0.73 0.13 0.00 -0.64 0.00 0.00 41.12 40.53 3mkq n ASP 75 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3mkq n ASP 76 N -2.03 2.46 0.00 -2.24 5.75 -1.26 -4.49 116.55 114.75 3mkq n ASP 76 Ca -0.01 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 3mkq n ASP 76 Cb 0.03 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 3mkq n ASP 76 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3mkq n PHE 77 N 0.21 0.00 -4.10 2.11 3.72 -0.25 -4.98 117.46 114.18 3mkq n PHE 77 Ca 0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.17 3mkq n PHE 77 Cb 0.53 -1.37 -0.07 0.00 -0.94 0.00 0.00 39.48 37.63 3mkq n PHE 77 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3mkq s ARG 78 N -1.33 3.06 -0.21 -1.08 0.52 -1.22 -2.06 118.95 116.62 3mkq s ARG 78 Ca 0.00 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3mkq s ARG 78 Cb 0.00 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 3mkq s ARG 78 CO 0.00 0.64 0.00 0.42 0.02 0.00 0.00 175.30 176.38 3mkq s ILE 79 N -1.21 3.91 0.06 1.52 1.01 -0.73 -2.06 121.20 123.70 3mkq s ILE 79 Ca 0.23 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.63 3mkq s ILE 79 Cb -0.12 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3mkq s ILE 79 CO 0.15 0.41 -0.19 -0.13 0.00 0.00 0.00 174.94 175.18 3mkq s ARG 80 N 1.17 1.20 -0.03 2.79 0.52 -0.67 -2.05 118.95 121.87 3mkq s ARG 80 Ca 0.03 -0.97 0.06 0.00 -0.52 0.00 0.00 55.73 54.33 3mkq s ARG 80 Cb -0.14 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 3mkq s ARG 80 CO 0.01 0.33 -0.21 0.08 0.02 0.00 0.00 175.30 175.53 3mkq s VAL 81 N -0.94 1.70 0.09 3.52 1.01 0.18 -1.39 120.40 124.57 3mkq s VAL 81 Ca 0.06 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3mkq s VAL 81 Cb -0.09 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3mkq s VAL 81 CO 0.02 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.10 3mkq s PHE 82 N -0.27 1.28 -0.30 5.22 0.40 -0.68 0.32 117.98 123.95 3mkq s PHE 82 Ca 0.02 -0.49 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 3mkq s PHE 82 Cb -0.10 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 3mkq s PHE 82 CO 0.01 0.08 0.69 1.21 0.70 0.00 0.00 175.22 177.91 3mkq s ASN 83 N -1.95 6.56 0.13 1.36 3.84 0.24 -1.47 114.94 123.65 3mkq s ASN 83 Ca 0.01 0.53 0.20 0.00 0.21 0.00 0.00 52.86 53.82 3mkq s ASN 83 Cb -0.08 -2.36 0.84 0.00 -0.55 0.00 0.00 41.25 39.09 3mkq s ASN 83 CO 0.02 -0.52 1.63 0.00 -2.79 0.00 0.00 177.10 175.44 3mkq n TYR 84 N 5.99 0.42 0.11 0.43 0.18 -0.31 0.32 117.16 124.31 3mkq n TYR 84 Ca 0.01 0.16 0.04 0.00 1.88 0.00 0.00 57.90 59.99 3mkq n TYR 84 Cb 0.49 -0.76 0.01 0.00 -0.38 0.00 0.00 39.34 38.70 3mkq n TYR 84 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 3mkq h ASN 85 N 0.00 0.00 0.00 9.48 2.35 -1.92 -3.39 115.58 122.10 3mkq h ASN 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mkq h ASN 85 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3mkq h ASN 85 CO 0.00 0.39 -0.81 0.35 -1.65 0.00 0.00 177.43 175.71 3mkq n THR 86 N -3.04 0.00 -1.27 2.81 -2.24 -1.10 -5.01 114.28 104.43 3mkq n THR 86 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3mkq n THR 86 Cb 0.72 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3mkq n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mkq n GLY 87 N 2.07 0.42 3.76 3.38 0.00 0.15 -5.03 105.19 109.95 3mkq n GLY 87 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 3mkq n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mkq s GLU 88 N -2.55 4.34 -0.23 1.61 2.56 -1.20 -4.82 118.70 118.41 3mkq s GLU 88 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 54.97 55.48 3mkq s GLU 88 Cb 0.00 -3.33 -0.01 0.00 2.00 0.00 0.00 34.13 32.79 3mkq s GLU 88 CO 0.00 0.39 1.31 0.15 -0.56 0.00 0.00 175.26 176.55 3mkq s LYS 89 N -0.28 4.06 -0.14 4.30 -0.14 -1.26 -0.59 119.74 125.68 3mkq s LYS 89 Ca 0.32 1.48 -0.13 0.00 -1.36 0.00 0.00 55.97 56.28 3mkq s LYS 89 Cb -0.19 -3.84 -0.11 0.00 -1.68 0.00 0.00 37.83 32.01 3mkq s LYS 89 CO 0.18 -0.94 0.20 0.28 -0.76 0.00 0.00 175.35 174.32 3mkq h VAL 90 N 5.75 0.63 -3.75 3.17 2.07 -0.47 -3.48 116.25 120.16 3mkq h VAL 90 Ca -0.27 -1.56 -0.15 0.00 0.82 0.00 0.00 66.70 65.54 3mkq h VAL 90 Cb 1.11 1.28 -0.20 0.00 -1.52 0.00 0.00 31.29 31.95 3mkq h VAL 90 CO 1.00 0.21 -0.59 0.68 0.02 0.00 0.00 177.57 178.90 3mkq s VAL 91 N -2.02 0.10 -0.22 2.57 -7.23 -1.22 -4.97 120.40 107.40 3mkq s VAL 91 Ca -0.13 -0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 3mkq s VAL 91 Cb 0.01 -0.42 0.11 0.00 0.56 0.00 0.00 36.38 36.64 3mkq s VAL 91 CO 0.33 -0.46 0.30 -0.62 -0.31 0.00 0.00 175.10 174.34 3mkq s ASP 92 N -1.51 0.84 0.04 4.85 -1.08 -1.26 -0.65 116.67 117.90 3mkq s ASP 92 Ca -0.14 -0.02 -0.12 0.00 -0.52 0.00 0.00 52.55 51.74 3mkq s ASP 92 Cb -0.08 0.74 0.01 0.00 -1.46 0.00 0.00 42.92 42.13 3mkq s ASP 92 CO -0.00 -0.32 0.27 0.72 0.52 0.00 0.00 175.17 176.36 3mkq s PHE 93 N 2.43 -0.05 -0.18 -5.34 -0.12 -0.87 -5.02 117.98 108.83 3mkq s PHE 93 Ca 0.10 -0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 56.57 3mkq s PHE 93 Cb -0.16 0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.29 3mkq s PHE 93 CO -0.14 -0.48 1.11 -2.00 -0.05 0.00 0.00 175.22 173.65 3mkq s GLU 94 N -2.58 4.28 -0.14 1.99 2.12 -1.26 -1.77 118.70 121.34 3mkq s GLU 94 Ca -0.05 1.47 0.18 0.00 0.36 0.00 0.00 54.97 56.93 3mkq s GLU 94 Cb -0.01 -3.65 -0.27 0.00 0.26 0.00 0.00 34.13 30.46 3mkq s GLU 94 CO -0.04 -0.60 0.19 0.00 -0.54 0.00 0.00 175.26 174.28 3mkq n ALA 95 N 6.15 1.91 -2.65 6.30 0.00 -0.88 -4.97 120.51 126.38 3mkq n ALA 95 Ca 0.12 -1.04 -0.09 0.00 0.00 0.00 0.00 53.44 52.43 3mkq n ALA 95 Cb 0.46 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 3mkq n ALA 95 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3mkq s HIS 96 N -2.78 0.32 -2.34 0.00 3.76 -1.22 -5.02 115.29 108.01 3mkq s HIS 96 Ca -0.09 -0.71 0.23 0.00 -0.15 0.00 0.00 55.06 54.35 3mkq s HIS 96 Cb 0.08 -0.07 0.88 0.00 1.11 0.00 0.00 32.58 34.59 3mkq s HIS 96 CO 0.82 -0.66 1.63 -2.30 -0.85 0.00 0.00 174.74 173.39 3mkq n PRO 97 N -0.16 1.68 -4.14 8.40 -0.02 -1.26 -4.73 135.00 134.77 3mkq n PRO 97 Ca -0.10 -1.01 -0.12 0.00 -2.02 0.00 0.00 63.50 60.25 3mkq n PRO 97 Cb 0.63 -1.42 -0.08 0.00 -0.02 0.00 0.00 33.50 32.61 3mkq n PRO 97 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mkq s ASP 98 N -1.72 0.32 0.20 2.55 3.68 -1.26 -5.00 116.67 115.44 3mkq s ASP 98 Ca 0.34 -1.31 -0.29 0.00 2.13 0.00 0.00 52.55 53.42 3mkq s ASP 98 Cb 0.19 0.49 -0.16 0.00 -1.45 0.00 0.00 42.92 41.98 3mkq s ASP 98 CO 0.29 -1.00 0.74 -1.22 0.13 0.00 0.00 175.17 174.10 3mkq n TYR 99 N -0.37 0.18 -3.60 -5.34 0.53 -1.26 -4.52 117.16 102.78 3mkq n TYR 99 Ca 0.01 0.89 -0.36 0.00 -1.02 0.00 0.00 57.90 57.42 3mkq n TYR 99 Cb 0.64 -2.07 -0.08 0.00 -1.03 0.00 0.00 39.34 36.80 3mkq n TYR 99 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3mkq s ILE 100 N -0.86 5.33 -0.18 -0.72 1.01 -1.25 -1.12 121.20 123.41 3mkq s ILE 100 Ca 0.66 0.36 0.11 0.00 0.00 0.00 0.00 60.65 61.77 3mkq s ILE 100 Cb -0.90 -3.56 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 3mkq s ILE 100 CO 0.57 0.36 -0.02 0.54 0.00 0.00 0.00 174.94 176.39 3mkq n ARG 101 N 3.97 1.03 -3.75 2.79 5.12 -0.21 -4.54 116.66 121.08 3mkq n ARG 101 Ca -0.13 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.70 3mkq n ARG 101 Cb 0.52 -1.43 -0.08 0.00 -1.16 0.00 0.00 32.46 30.31 3mkq n ARG 101 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3mkq s SER 102 N -5.38 -0.17 -0.02 0.55 0.15 -1.21 -4.48 113.70 103.14 3mkq s SER 102 Ca -0.15 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 3mkq s SER 102 Cb 0.06 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3mkq s SER 102 CO 0.62 -0.55 0.03 -0.63 1.20 0.00 0.00 173.24 173.91 3mkq s ILE 103 N -2.04 -0.05 0.07 6.45 1.01 -1.26 -0.94 121.20 124.43 3mkq s ILE 103 Ca -0.08 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.84 3mkq s ILE 103 Cb -0.03 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 3mkq s ILE 103 CO -0.00 0.08 -0.24 0.00 0.00 0.00 0.00 174.94 174.77 3mkq s ALA 104 N 0.92 2.07 -0.11 9.38 0.00 0.37 -4.92 121.76 129.46 3mkq s ALA 104 Ca -0.08 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.67 3mkq s ALA 104 Cb -0.11 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.63 3mkq s ALA 104 CO -0.03 0.47 -0.21 0.08 0.00 0.00 0.00 175.76 176.08 3mkq s VAL 105 N -0.90 1.89 0.27 0.00 1.01 -1.26 -0.51 120.40 120.89 3mkq s VAL 105 Ca 0.10 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 3mkq s VAL 105 Cb -0.10 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 3mkq s VAL 105 CO 0.03 0.52 1.46 -2.28 0.00 0.00 0.00 175.10 174.83 3mkq s HIS 106 N 0.67 2.96 0.18 5.22 2.46 -0.42 -4.91 115.29 121.45 3mkq s HIS 106 Ca -0.12 1.01 0.29 0.00 0.47 0.00 0.00 55.06 56.71 3mkq s HIS 106 Cb -0.16 -3.86 1.22 0.00 -0.13 0.00 0.00 32.58 29.65 3mkq s HIS 106 CO 0.02 -2.79 1.94 -1.00 -2.47 0.00 0.00 174.74 170.45 3mkq h PRO 107 N 4.83 0.00 0.00 2.88 0.13 -1.95 -3.40 132.00 134.49 3mkq h PRO 107 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3mkq h PRO 107 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3mkq h PRO 107 CO 0.77 0.12 -0.57 2.41 -0.23 0.00 0.00 178.00 180.50 3mkq n THR 108 N -3.30 0.80 -2.76 1.56 -1.04 -1.26 -5.08 114.28 103.20 3mkq n THR 108 Ca -0.00 0.20 -0.31 0.00 -2.04 0.00 0.00 64.05 61.90 3mkq n THR 108 Cb 0.34 -1.62 -0.04 0.00 -1.82 0.00 0.00 70.33 67.20 3mkq n THR 108 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3mkq s LYS 109 N -2.08 3.86 -0.04 -2.82 1.02 -1.26 -4.94 119.74 113.47 3mkq s LYS 109 Ca -0.04 0.63 -0.03 0.00 0.02 0.00 0.00 55.97 56.56 3mkq s LYS 109 Cb 0.01 -2.32 -0.13 0.00 -0.52 0.00 0.00 37.83 34.87 3mkq s LYS 109 CO 0.05 -0.08 2.05 -0.35 -0.92 0.00 0.00 175.35 176.10 3mkq n PRO 110 N -1.27 1.03 -4.34 -1.68 -0.04 -1.26 -4.42 135.00 123.03 3mkq n PRO 110 Ca 0.04 -0.54 -0.31 0.00 -0.04 0.00 0.00 63.50 62.65 3mkq n PRO 110 Cb 0.54 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 3mkq n PRO 110 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mkq s TYR 111 N 2.09 2.82 -0.02 0.54 2.02 -1.26 -1.67 117.35 121.87 3mkq s TYR 111 Ca 0.33 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 3mkq s TYR 111 Cb 0.16 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 3mkq s TYR 111 CO -0.00 0.40 -0.04 0.08 -1.57 0.00 0.00 175.55 174.42 3mkq s VAL 112 N -1.12 0.40 -0.11 0.71 1.01 -0.38 -1.30 120.40 119.61 3mkq s VAL 112 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3mkq s VAL 112 Cb -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3mkq s VAL 112 CO 0.11 0.16 -0.08 -0.76 0.00 0.00 0.00 175.10 174.54 3mkq s LEU 113 N 0.49 3.08 -0.09 3.92 1.43 0.33 -0.44 118.68 127.40 3mkq s LEU 113 Ca -0.06 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3mkq s LEU 113 Cb -0.09 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.45 3mkq s LEU 113 CO -0.00 0.26 -0.15 -0.94 0.23 0.00 0.00 176.35 175.75 3mkq s SER 114 N -0.21 2.22 -0.06 2.29 1.04 -0.75 -0.48 113.70 117.75 3mkq s SER 114 Ca 0.02 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 3mkq s SER 114 Cb -0.13 -1.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 3mkq s SER 114 CO 0.03 0.03 0.13 -0.83 0.98 0.00 0.00 173.24 173.58 3mkq s GLY 115 N 0.80 2.10 0.19 7.32 0.00 -0.12 -1.25 107.32 116.37 3mkq s GLY 115 Ca -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 3mkq s GLY 115 CO 0.02 -0.56 0.22 -0.45 0.00 0.00 0.00 173.10 172.33 3mkq s SER 116 N -1.43 0.11 0.00 1.64 0.15 -0.77 -1.05 113.70 112.35 3mkq s SER 116 Ca 0.20 -1.16 0.24 0.00 0.70 0.00 0.00 55.95 55.94 3mkq s SER 116 Cb -0.12 0.42 1.43 0.00 -1.71 0.00 0.00 66.02 66.04 3mkq s SER 116 CO 0.10 -0.89 1.81 0.47 1.20 0.00 0.00 173.24 175.93 3mkq n ASP 117 N -0.25 0.00 -0.72 5.45 10.43 -0.27 -1.87 116.55 129.32 3mkq n ASP 117 Ca -0.02 -0.70 0.03 0.00 2.57 0.00 0.00 54.79 56.66 3mkq n ASP 117 Cb 0.64 -0.02 0.11 0.00 1.84 0.00 0.00 41.12 43.69 3mkq n ASP 117 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3mkq n ASP 118 N -1.02 1.93 -0.28 -2.24 5.68 -1.26 -4.63 116.55 114.72 3mkq n ASP 118 Ca 0.18 -2.17 -0.04 0.00 -0.50 0.00 0.00 54.79 52.26 3mkq n ASP 118 Cb 0.09 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 39.66 3mkq n ASP 118 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mkq n LEU 119 N 0.17 0.13 -4.48 -2.12 4.32 -1.04 -4.98 117.00 108.99 3mkq n LEU 119 Ca 0.08 0.09 -0.23 0.00 -0.02 0.00 0.00 56.01 55.93 3mkq n LEU 119 Cb 0.40 -1.71 -0.10 0.00 -1.62 0.00 0.00 43.42 40.39 3mkq n LEU 119 CO 0.08 -0.59 -0.25 0.42 -1.22 0.00 0.00 177.39 175.83 3mkq s THR 120 N -1.74 1.08 -0.07 -5.08 -4.23 -1.25 -4.05 115.64 100.30 3mkq s THR 120 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3mkq s THR 120 Cb 0.00 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.18 3mkq s THR 120 CO 0.00 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.28 3mkq s VAL 121 N -3.25 1.08 -0.05 2.29 1.01 -1.19 -1.84 120.40 118.45 3mkq s VAL 121 Ca 0.32 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3mkq s VAL 121 Cb 0.07 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3mkq s VAL 121 CO 0.15 0.34 -0.20 -0.54 0.00 0.00 0.00 175.10 174.85 3mkq s LYS 122 N 0.73 2.43 -0.26 2.72 1.02 -0.38 -0.52 119.74 125.49 3mkq s LYS 122 Ca -0.14 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 54.94 3mkq s LYS 122 Cb -0.16 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 3mkq s LYS 122 CO 0.03 0.53 0.15 -1.17 -0.92 0.00 0.00 175.35 173.98 3mkq s LEU 123 N -0.52 3.93 0.04 3.17 0.20 0.66 -1.81 118.68 124.34 3mkq s LEU 123 Ca 0.07 -0.01 0.05 0.00 0.69 0.00 0.00 54.13 54.93 3mkq s LEU 123 Cb -0.11 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 3mkq s LEU 123 CO 0.01 -0.01 -0.08 0.26 -0.29 0.00 0.00 176.35 176.24 3mkq s TRP 124 N 1.48 2.83 -0.26 5.38 0.52 0.41 -0.91 118.94 128.40 3mkq s TRP 124 Ca 0.07 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.12 3mkq s TRP 124 Cb -0.15 -1.55 0.07 0.00 -1.15 0.00 0.00 33.47 30.69 3mkq s TRP 124 CO 0.08 0.38 -0.05 1.21 0.02 0.00 0.00 176.95 178.58 3mkq s ASN 125 N -1.66 4.23 0.05 2.95 3.84 -0.96 -1.25 114.94 122.14 3mkq s ASN 125 Ca 0.18 -1.42 0.22 0.00 0.21 0.00 0.00 52.86 52.05 3mkq s ASN 125 Cb -0.11 -1.38 0.89 0.00 -0.55 0.00 0.00 41.25 40.10 3mkq s ASN 125 CO 0.09 -0.25 1.68 -2.67 -2.79 0.00 0.00 177.10 173.17 3mkq n TRP 126 N 4.52 0.20 -1.06 0.43 2.14 -0.67 -1.57 117.44 121.44 3mkq n TRP 126 Ca -0.10 0.07 -0.25 0.00 2.07 0.00 0.00 57.50 59.29 3mkq n TRP 126 Cb 0.43 -0.61 0.11 0.00 -0.81 0.00 0.00 31.31 30.43 3mkq n TRP 126 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3mkq n GLU 127 N -1.67 2.25 -2.50 -2.67 1.02 -1.26 -3.91 120.64 111.90 3mkq n GLU 127 Ca 0.05 -2.70 -0.03 0.00 -0.02 0.00 0.00 57.16 54.46 3mkq n GLU 127 Cb 0.26 -2.06 0.10 0.00 -0.02 0.00 0.00 31.44 29.72 3mkq n GLU 127 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3mkq n ASN 128 N -0.75 -1.32 -2.91 1.62 5.15 -1.06 -4.98 115.26 111.02 3mkq n ASN 128 Ca 0.53 -2.04 -0.22 0.00 -0.60 0.00 0.00 54.58 52.25 3mkq n ASN 128 Cb 1.09 0.69 0.02 0.00 -0.53 0.00 0.00 39.78 41.05 3mkq n ASN 128 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3mkq n ASN 129 N -1.01 -5.90 -3.87 1.20 3.02 -1.25 -2.45 115.26 104.99 3mkq n ASN 129 Ca -0.13 -0.23 -0.28 0.00 -0.03 0.00 0.00 54.58 53.92 3mkq n ASN 129 Cb 0.80 -4.80 0.02 0.00 -0.61 0.00 0.00 39.78 35.19 3mkq n ASN 129 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3mkq n TRP 130 N -4.36 -2.16 -2.50 3.10 7.02 -0.61 -4.95 117.44 112.98 3mkq n TRP 130 Ca -0.14 0.88 -0.33 0.00 -1.02 0.00 0.00 57.50 56.89 3mkq n TRP 130 Cb 0.63 -4.05 -0.03 0.00 -2.42 0.00 0.00 31.31 25.43 3mkq n TRP 130 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mkq s ALA 131 N -3.43 2.89 -0.67 6.99 0.00 -1.03 -4.64 121.76 121.88 3mkq s ALA 131 Ca 0.47 0.51 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 3mkq s ALA 131 Cb -0.23 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3mkq s ALA 131 CO 0.83 -0.31 1.27 -1.17 0.00 0.00 0.00 175.76 176.39 3mkq s LEU 132 N -3.63 3.28 0.24 0.00 0.20 -1.26 -2.28 118.68 115.23 3mkq s LEU 132 Ca 0.65 -0.19 0.17 0.00 0.69 0.00 0.00 54.13 55.45 3mkq s LEU 132 Cb -0.15 -2.80 0.04 0.00 -0.43 0.00 0.00 46.19 42.86 3mkq s LEU 132 CO 0.22 -1.72 1.27 -0.33 -0.29 0.00 0.00 176.35 175.50 3mkq h GLU 133 N 10.04 0.00 -1.66 1.98 5.08 -1.38 -3.48 114.58 125.16 3mkq h GLU 133 Ca -0.27 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3mkq h GLU 133 Cb 1.06 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.08 3mkq h GLU 133 CO 1.24 0.33 0.45 -1.14 -1.00 0.00 0.00 179.01 178.89 3mkq s GLN 134 N -3.03 0.67 -0.11 2.33 0.74 -1.19 -4.99 119.66 114.08 3mkq s GLN 134 Ca 0.02 0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.71 3mkq s GLN 134 Cb 0.08 0.32 0.02 0.00 1.10 0.00 0.00 33.01 34.52 3mkq s GLN 134 CO 0.76 -0.19 -0.15 0.99 -0.55 0.00 0.00 175.29 176.15 3mkq s THR 135 N -0.86 1.52 -0.42 -0.34 2.01 -1.26 -0.25 115.64 116.04 3mkq s THR 135 Ca -0.03 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 3mkq s THR 135 Cb -0.01 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.13 3mkq s THR 135 CO 0.02 0.44 0.38 -0.36 -0.69 0.00 0.00 174.62 174.42 3mkq s PHE 136 N 1.03 3.20 0.02 4.92 0.08 0.33 -4.98 117.98 122.57 3mkq s PHE 136 Ca -0.06 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.53 3mkq s PHE 136 Cb -0.15 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.48 3mkq s PHE 136 CO -0.02 -0.66 0.03 -1.21 -0.10 0.00 0.00 175.22 173.25 3mkq s GLU 137 N 1.94 2.85 0.00 0.44 2.02 -1.26 -3.16 118.70 121.53 3mkq s GLU 137 Ca 0.09 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3mkq s GLU 137 Cb -0.18 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3mkq s GLU 137 CO 0.12 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.43 3mkq n GLY 138 N 1.15 1.01 3.79 -1.39 0.00 -1.26 -4.87 105.19 103.62 3mkq n GLY 138 Ca -0.13 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3mkq n GLY 138 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mkq s HIS 139 N 0.00 2.85 -0.21 1.61 3.76 -1.26 -4.98 115.29 117.07 3mkq s HIS 139 Ca 0.00 1.52 0.13 0.00 -0.15 0.00 0.00 55.06 56.57 3mkq s HIS 139 Cb 0.00 -3.07 0.44 0.00 1.11 0.00 0.00 32.58 31.06 3mkq s HIS 139 CO 0.00 -1.34 1.32 0.39 -0.85 0.00 0.00 174.74 174.26 3mkq n GLU 140 N -2.22 1.85 -2.08 1.40 1.02 -1.26 -4.90 120.64 114.46 3mkq n GLU 140 Ca 0.09 -3.00 -0.01 0.00 -0.02 0.00 0.00 57.16 54.23 3mkq n GLU 140 Cb 0.52 -1.70 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3mkq n GLU 140 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3mkq n HIS 141 N -1.08 -0.74 -1.72 -0.32 -0.00 -1.26 -4.80 115.22 105.29 3mkq n HIS 141 Ca 0.23 -0.32 -0.43 0.00 0.46 0.00 0.00 57.72 57.66 3mkq n HIS 141 Cb 0.83 0.16 -0.01 0.00 -0.12 0.00 0.00 29.99 30.84 3mkq n HIS 141 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3mkq n PHE 142 N -0.19 2.57 -3.09 1.57 0.99 -1.26 -4.05 117.46 114.01 3mkq n PHE 142 Ca -0.00 0.38 -0.43 0.00 -0.00 0.00 0.00 57.45 57.39 3mkq n PHE 142 Cb 0.15 -2.52 -0.06 0.00 -1.00 0.00 0.00 39.48 36.06 3mkq n PHE 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3mkq s VAL 143 N -0.36 4.77 0.05 -4.37 1.01 -0.78 -1.72 120.40 119.00 3mkq s VAL 143 Ca 0.62 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.41 3mkq s VAL 143 Cb -0.55 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 31.35 3mkq s VAL 143 CO 0.53 -0.85 1.33 0.24 0.00 0.00 0.00 175.10 176.35 3mkq h MET 144 N 9.05 0.00 -2.21 2.72 0.00 -0.97 -3.29 114.93 120.23 3mkq h MET 144 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.37 3mkq h MET 144 Cb 1.09 0.00 -0.22 0.00 0.00 0.00 0.00 31.60 32.47 3mkq h MET 144 CO 0.98 0.86 0.01 0.00 0.00 0.00 0.00 176.91 178.77 3mkq s VAL 146 N 0.48 1.27 -0.17 0.00 -7.23 -1.26 -0.41 120.40 113.08 3mkq s VAL 146 Ca -0.01 -0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 3mkq s VAL 146 Cb -0.05 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.87 3mkq s VAL 146 CO -0.01 0.26 0.41 0.00 -0.31 0.00 0.00 175.10 175.45 3mkq s ALA 147 N -0.52 -1.05 0.34 1.32 0.00 -0.05 -4.53 121.76 117.28 3mkq s ALA 147 Ca 0.05 1.51 -0.27 0.00 0.00 0.00 0.00 51.96 53.25 3mkq s ALA 147 Cb -0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 3mkq s ALA 147 CO 0.00 -0.26 1.14 -0.06 0.00 0.00 0.00 175.76 176.58 3mkq s PHE 148 N 1.33 3.32 -0.34 0.00 0.40 -1.26 -0.59 117.98 120.84 3mkq s PHE 148 Ca -0.09 1.61 -0.29 0.00 -0.60 0.00 0.00 56.93 57.57 3mkq s PHE 148 Cb -0.08 -3.35 -0.01 0.00 0.51 0.00 0.00 43.02 40.10 3mkq s PHE 148 CO -0.12 -0.95 1.53 1.21 0.70 0.00 0.00 175.22 177.59 3mkq s ASN 149 N -0.99 6.28 0.44 1.36 3.84 -0.71 -4.85 114.94 120.31 3mkq s ASN 149 Ca 0.50 1.15 0.18 0.00 0.21 0.00 0.00 52.86 54.90 3mkq s ASN 149 Cb -0.31 -2.53 1.12 0.00 -0.55 0.00 0.00 41.25 38.98 3mkq s ASN 149 CO 0.40 -1.42 1.92 1.55 -2.79 0.00 0.00 177.10 176.76 3mkq h PRO 150 N 11.03 0.33 0.00 0.43 0.13 -1.89 -0.44 132.00 141.59 3mkq h PRO 150 Ca -0.30 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 3mkq h PRO 150 Cb 1.13 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3mkq h PRO 150 CO 1.05 0.22 -0.66 0.87 -0.23 0.00 0.00 178.00 179.25 3mkq h LYS 151 N 0.34 0.00 -1.97 0.86 1.57 -1.89 -3.39 116.57 112.09 3mkq h LYS 151 Ca 0.37 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.76 3mkq h LYS 151 Cb 0.96 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.96 3mkq h LYS 151 CO -0.11 0.66 -0.72 0.34 -0.57 0.00 0.00 179.45 179.05 3mkq s ASP 152 N -6.82 1.13 0.00 0.86 2.15 -0.25 -5.02 116.67 108.71 3mkq s ASP 152 Ca -0.01 -1.82 0.00 0.00 0.43 0.00 0.00 52.55 51.15 3mkq s ASP 152 Cb 0.12 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 3mkq s ASP 152 CO 0.77 -0.24 0.40 -0.81 -0.17 0.00 0.00 175.17 175.12 3mkq n PRO 153 N 3.96 0.41 0.00 4.34 -0.04 -0.72 -1.42 135.00 141.53 3mkq n PRO 153 Ca 0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 3mkq n PRO 153 Cb 0.46 -1.01 0.23 0.00 -0.04 0.00 0.00 33.50 33.14 3mkq n PRO 153 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mkq n SER 154 N -0.45 1.21 -4.34 3.54 3.41 -1.26 -4.84 113.62 110.89 3mkq n SER 154 Ca 0.00 -0.97 -0.28 0.00 -0.26 0.00 0.00 58.87 57.36 3mkq n SER 154 Cb 0.01 0.29 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 3mkq n SER 154 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mkq s THR 155 N -2.59 2.03 0.18 6.66 2.01 -0.51 -0.43 115.64 123.00 3mkq s THR 155 Ca 0.20 -1.54 -0.13 0.00 0.31 0.00 0.00 61.69 60.54 3mkq s THR 155 Cb 0.19 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.91 3mkq s THR 155 CO 0.58 0.15 0.40 0.72 -0.69 0.00 0.00 174.62 175.78 3mkq s PHE 156 N -0.97 0.19 0.06 4.92 -0.12 -0.61 -1.74 117.98 119.70 3mkq s PHE 156 Ca 0.11 -0.54 0.08 0.00 -0.05 0.00 0.00 56.93 56.52 3mkq s PHE 156 Cb -0.10 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3mkq s PHE 156 CO 0.04 -0.82 -0.22 0.00 -0.05 0.00 0.00 175.22 174.16 3mkq s ALA 157 N -3.93 1.89 -0.07 1.99 0.00 0.24 -0.55 121.76 121.33 3mkq s ALA 157 Ca 0.14 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.00 3mkq s ALA 157 Cb 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3mkq s ALA 157 CO -0.00 0.42 -0.22 -1.54 0.00 0.00 0.00 175.76 174.42 3mkq s SER 158 N -1.38 2.82 -0.20 0.00 1.04 -0.23 -0.87 113.70 114.88 3mkq s SER 158 Ca 0.08 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 3mkq s SER 158 Cb -0.09 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 3mkq s SER 158 CO 0.03 0.18 0.05 -0.83 0.98 0.00 0.00 173.24 173.65 3mkq s GLY 159 N 0.14 1.85 0.10 7.32 0.00 0.45 -1.81 107.32 115.37 3mkq s GLY 159 Ca -0.11 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 43.82 3mkq s GLY 159 CO 0.06 0.16 -0.16 0.00 0.00 0.00 0.00 173.10 173.16 3mkq n LEU 161 N 0.86 0.00 -1.03 0.00 4.32 -0.70 -0.88 117.00 119.56 3mkq n LEU 161 Ca -0.18 0.30 0.03 0.00 -0.02 0.00 0.00 56.01 56.14 3mkq n LEU 161 Cb 0.55 -0.30 0.17 0.00 -1.62 0.00 0.00 43.42 42.22 3mkq n LEU 161 CO 0.24 -0.20 0.52 -0.90 -1.22 0.00 0.00 177.39 175.83 3mkq n ASP 162 N -1.30 2.84 -0.04 -1.43 5.68 -1.26 -4.33 116.55 116.71 3mkq n ASP 162 Ca 0.05 -2.35 -0.01 0.00 -0.50 0.00 0.00 54.79 51.98 3mkq n ASP 162 Cb 0.09 -0.54 -0.00 0.00 -1.14 0.00 0.00 41.12 39.52 3mkq n ASP 162 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3mkq n ARG 163 N 0.27 -0.43 -4.39 0.11 1.74 -1.01 -5.00 116.66 107.95 3mkq n ARG 163 Ca 0.11 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.17 3mkq n ARG 163 Cb 0.61 -3.54 -0.10 0.00 -1.02 0.00 0.00 32.46 28.40 3mkq n ARG 163 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mkq s THR 164 N -1.82 1.36 -0.08 0.55 -4.23 -1.23 -1.60 115.64 108.58 3mkq s THR 164 Ca 0.00 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3mkq s THR 164 Cb 0.00 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.40 3mkq s THR 164 CO 0.00 -0.28 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.92 3mkq s VAL 165 N -3.20 1.64 -0.08 2.29 1.01 -0.89 -1.21 120.40 119.96 3mkq s VAL 165 Ca 0.30 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3mkq s VAL 165 Cb 0.05 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 3mkq s VAL 165 CO 0.11 0.47 -0.22 -0.54 0.00 0.00 0.00 175.10 174.91 3mkq s LYS 166 N 0.46 2.69 -0.25 2.72 1.02 -0.75 -0.61 119.74 125.02 3mkq s LYS 166 Ca -0.16 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 54.93 3mkq s LYS 166 Cb -0.17 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3mkq s LYS 166 CO 0.06 0.21 0.11 0.08 -0.92 0.00 0.00 175.35 174.89 3mkq s VAL 167 N 0.24 4.70 0.36 3.17 1.01 -0.95 -1.07 120.40 127.86 3mkq s VAL 167 Ca -0.14 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3mkq s VAL 167 Cb -0.16 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3mkq s VAL 167 CO 0.07 0.33 0.14 0.26 0.00 0.00 0.00 175.10 175.90 3mkq s TRP 168 N 1.45 2.66 -0.10 5.22 0.52 0.29 -0.33 118.94 128.66 3mkq s TRP 168 Ca 0.06 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.78 3mkq s TRP 168 Cb -0.15 -1.72 -0.00 0.00 -1.15 0.00 0.00 33.47 30.45 3mkq s TRP 168 CO 0.05 0.30 -0.23 0.45 0.02 0.00 0.00 176.95 177.55 3mkq s SER 169 N -3.85 3.16 0.37 2.95 0.15 -1.26 -1.57 113.70 113.64 3mkq s SER 169 Ca 0.38 -0.54 0.20 0.00 0.70 0.00 0.00 55.95 56.70 3mkq s SER 169 Cb -0.01 -1.36 1.29 0.00 -1.71 0.00 0.00 66.02 64.23 3mkq s SER 169 CO 0.22 0.17 1.60 -0.07 1.20 0.00 0.00 173.24 176.37 3mkq h LEU 170 N 6.63 0.36 0.03 3.45 4.07 -1.11 -1.10 115.31 127.64 3mkq h LEU 170 Ca -0.21 0.23 -0.24 0.00 0.08 0.00 0.00 57.88 57.74 3mkq h LEU 170 Cb 1.23 0.23 -0.03 0.00 1.08 0.00 0.00 40.66 43.17 3mkq h LEU 170 CO 0.48 -0.35 -1.19 1.23 -1.08 0.00 0.00 178.44 177.53 3mkq h GLY 171 N 0.09 0.07 -1.97 0.83 0.00 -1.96 -3.48 103.07 96.66 3mkq h GLY 171 Ca 0.82 -0.19 -0.48 0.00 0.00 0.00 0.00 47.33 47.49 3mkq h GLY 171 CO -0.70 0.17 0.38 1.20 0.00 0.00 0.00 176.54 177.58 3mkq s GLN 172 N -2.68 3.70 -0.15 4.80 1.11 -0.42 -4.99 119.66 121.03 3mkq s GLN 172 Ca -0.01 1.30 0.11 0.00 0.01 0.00 0.00 55.36 56.76 3mkq s GLN 172 Cb 0.09 -2.08 -0.23 0.00 -1.01 0.00 0.00 33.01 29.77 3mkq s GLN 172 CO 0.83 -0.51 0.23 0.43 0.01 0.00 0.00 175.29 176.28 3mkq n SER 173 N -1.25 0.87 -4.78 5.90 7.64 -1.26 -4.67 113.62 116.06 3mkq n SER 173 Ca 0.09 0.12 -0.38 0.00 1.01 0.00 0.00 58.87 59.71 3mkq n SER 173 Cb 0.53 0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.88 3mkq n SER 173 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mkq s THR 174 N -2.54 5.02 0.37 0.44 -1.32 -1.26 -4.56 115.64 111.79 3mkq s THR 174 Ca -0.14 0.99 -0.28 0.00 -1.21 0.00 0.00 61.69 61.05 3mkq s THR 174 Cb 0.07 -3.81 -0.10 0.00 -1.51 0.00 0.00 72.50 67.15 3mkq s THR 174 CO 0.78 0.46 1.37 -2.16 -2.21 0.00 0.00 174.62 172.86 3mkq s PRO 175 N -0.34 4.17 0.48 7.08 0.04 -1.26 -4.74 135.00 140.43 3mkq s PRO 175 Ca 0.26 2.32 0.18 0.00 0.04 0.00 0.00 61.00 63.80 3mkq s PRO 175 Cb -0.17 -2.95 1.19 0.00 0.04 0.00 0.00 34.50 32.61 3mkq s PRO 175 CO 0.14 -0.39 2.03 -0.91 0.04 0.00 0.00 177.00 177.90 3mkq h ASN 176 N 3.06 0.17 -4.48 6.66 -0.26 -1.01 -3.45 115.58 116.28 3mkq h ASN 176 Ca -0.50 0.00 0.31 0.00 -0.56 0.00 0.00 56.30 55.55 3mkq h ASN 176 Cb 1.24 -0.03 -0.18 0.00 -1.06 0.00 0.00 38.32 38.28 3mkq h ASN 176 CO 0.64 0.11 0.90 0.72 -1.06 0.00 0.00 177.43 178.74 3mkq s PHE 177 N -5.20 -0.06 0.04 1.19 -0.12 -1.20 -5.02 117.98 107.61 3mkq s PHE 177 Ca -0.06 0.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.91 3mkq s PHE 177 Cb 0.19 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 43.07 3mkq s PHE 177 CO 0.73 -0.12 -0.19 0.99 -0.05 0.00 0.00 175.22 176.58 3mkq s THR 178 N -2.22 1.50 -0.15 -4.49 2.01 -1.26 -2.24 115.64 108.79 3mkq s THR 178 Ca 0.11 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 61.01 3mkq s THR 178 Cb 0.00 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.21 3mkq s THR 178 CO -0.04 0.15 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.08 3mkq s LEU 179 N -1.14 2.09 -0.31 4.42 1.43 0.21 -4.98 118.68 120.40 3mkq s LEU 179 Ca 0.06 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 3mkq s LEU 179 Cb -0.08 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 3mkq s LEU 179 CO 0.02 0.05 0.63 0.42 0.23 0.00 0.00 176.35 177.70 3mkq s THR 180 N 0.96 4.93 -0.11 5.49 -4.23 -1.26 -2.10 115.64 119.33 3mkq s THR 180 Ca -0.04 0.85 0.21 0.00 -1.18 0.00 0.00 61.69 61.53 3mkq s THR 180 Cb -0.15 -4.00 0.20 0.00 1.34 0.00 0.00 72.50 69.89 3mkq s THR 180 CO -0.05 -0.15 1.64 0.71 -0.54 0.00 0.00 174.62 176.23 3mkq h THR 181 N 5.55 0.53 0.00 3.99 1.35 -1.68 -3.46 112.91 119.18 3mkq h THR 181 Ca -0.27 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 3mkq h THR 181 Cb 1.12 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 3mkq h THR 181 CO 0.80 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.95 3mkq n GLY 182 N 0.77 0.55 3.35 5.82 0.00 -1.26 -4.91 105.19 109.51 3mkq n GLY 182 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3mkq n GLY 182 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mkq s GLN 183 N -0.21 3.81 0.59 1.61 -0.21 -1.26 -4.89 119.66 119.10 3mkq s GLN 183 Ca 0.00 -2.62 0.29 0.00 0.02 0.00 0.00 55.36 53.05 3mkq s GLN 183 Cb 0.00 -4.56 1.34 0.00 1.00 0.00 0.00 33.01 30.79 3mkq s GLN 183 CO 0.00 -1.36 1.72 0.93 -2.12 0.00 0.00 175.29 174.46 3mkq h GLU 184 N 7.53 0.00 0.00 2.91 3.07 -1.93 0.25 114.58 126.40 3mkq h GLU 184 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3mkq h GLU 184 Cb 0.98 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3mkq h GLU 184 CO 0.90 0.00 -0.18 0.54 -1.40 0.00 0.00 179.01 178.87 3mkq n ARG 185 N -3.60 0.22 0.00 2.33 5.12 -1.26 -4.90 116.66 114.57 3mkq n ARG 185 Ca 0.14 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 3mkq n ARG 185 Cb 0.96 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 3mkq n ARG 185 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3mkq n GLY 186 N 1.35 2.02 3.60 -0.13 0.00 0.86 -4.69 105.19 108.21 3mkq n GLY 186 Ca 0.05 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 3mkq n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mkq s VAL 187 N -2.30 5.26 -0.03 1.61 1.01 -0.06 -4.04 120.40 121.85 3mkq s VAL 187 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.37 3mkq s VAL 187 Cb 0.00 -3.59 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 3mkq s VAL 187 CO 0.00 0.23 0.73 0.78 0.00 0.00 0.00 175.10 176.83 3mkq h ASN 188 N 8.20 0.13 -5.13 3.32 2.35 -0.40 -3.29 115.58 120.76 3mkq h ASN 188 Ca -0.34 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.09 3mkq h ASN 188 Cb 1.18 -0.04 -0.14 0.00 0.05 0.00 0.00 38.32 39.36 3mkq h ASN 188 CO 0.60 1.20 -0.32 -0.47 -1.65 0.00 0.00 177.43 176.79 3mkq s TYR 189 N -2.61 0.07 -0.11 1.19 5.04 -1.21 -4.28 117.35 115.44 3mkq s TYR 189 Ca -0.07 -0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 54.02 3mkq s TYR 189 Cb 0.08 0.00 0.03 0.00 0.35 0.00 0.00 41.96 42.42 3mkq s TYR 189 CO 0.82 -0.55 0.31 0.54 -1.34 0.00 0.00 175.55 175.33 3mkq s VAL 190 N -3.60 0.00 -0.03 3.14 0.11 -1.26 -2.75 120.40 116.02 3mkq s VAL 190 Ca 0.03 -0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 3mkq s VAL 190 Cb 0.03 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 3mkq s VAL 190 CO -0.10 -0.02 0.25 -0.62 -3.33 0.00 0.00 175.10 171.28 3mkq s ASP 191 N 0.05 -0.15 0.04 3.54 3.68 -0.72 -4.74 116.67 118.37 3mkq s ASP 191 Ca -0.01 0.11 -0.05 0.00 2.13 0.00 0.00 52.55 54.73 3mkq s ASP 191 Cb -0.02 0.34 -0.05 0.00 -1.45 0.00 0.00 42.92 41.74 3mkq s ASP 191 CO 0.01 -0.34 0.27 -0.31 0.13 0.00 0.00 175.17 174.92 3mkq s TYR 192 N -1.00 3.55 0.11 -5.34 1.51 -1.26 -0.85 117.35 114.06 3mkq s TYR 192 Ca -0.11 0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 56.15 3mkq s TYR 192 Cb -0.05 -1.94 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 3mkq s TYR 192 CO 0.03 0.58 1.21 -0.47 -1.11 0.00 0.00 175.55 175.79 3mkq s TYR 193 N -1.39 3.43 0.17 2.71 6.14 -0.90 -4.66 117.35 122.85 3mkq s TYR 193 Ca 0.31 1.32 0.02 0.00 0.64 0.00 0.00 57.07 59.36 3mkq s TYR 193 Cb -0.13 -3.44 0.03 0.00 0.42 0.00 0.00 41.96 38.84 3mkq s TYR 193 CO 0.20 -1.32 1.41 -1.00 0.64 0.00 0.00 175.55 175.47 3mkq h PRO 194 N 6.24 0.22 -6.86 4.97 0.13 -1.91 -3.45 132.00 131.34 3mkq h PRO 194 Ca -0.43 -0.22 -0.49 0.00 -0.87 0.00 0.00 66.00 64.00 3mkq h PRO 194 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3mkq h PRO 194 CO 0.79 0.93 0.16 -0.51 -0.23 0.00 0.00 178.00 179.14 3mkq s LEU 195 N -7.54 3.89 0.49 1.56 1.43 -1.26 -4.69 118.68 112.56 3mkq s LEU 195 Ca -0.03 1.27 0.27 0.00 -1.03 0.00 0.00 54.13 54.61 3mkq s LEU 195 Cb 0.10 -4.13 1.25 0.00 0.03 0.00 0.00 46.19 43.44 3mkq s LEU 195 CO 0.82 -0.36 1.97 -0.65 0.23 0.00 0.00 176.35 178.37 3mkq h PRO 196 N 1.58 0.00 0.00 1.29 0.11 -1.90 -3.32 132.00 129.77 3mkq h PRO 196 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mkq h PRO 196 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mkq h PRO 196 CO 0.64 0.16 0.00 0.38 -0.21 0.00 0.00 178.00 178.97 3mkq h ASP 197 N 0.00 0.00 -2.56 -2.05 -0.00 -1.95 -3.41 116.42 106.46 3mkq h ASP 197 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.87 3mkq h ASP 197 Cb 0.51 0.00 -0.30 0.00 -0.00 0.00 0.00 39.33 39.54 3mkq h ASP 197 CO 0.02 0.00 -0.46 -0.54 -0.00 0.00 0.00 179.24 178.26 3mkq s LYS 198 N -3.59 0.25 -1.31 4.15 1.02 -1.25 -5.06 119.74 113.95 3mkq s LYS 198 Ca -0.02 0.81 -0.16 0.00 0.02 0.00 0.00 55.97 56.62 3mkq s LYS 198 Cb 0.07 -0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 37.36 3mkq s LYS 198 CO 0.23 -0.34 2.16 -0.35 -0.92 0.00 0.00 175.35 176.13 3mkq n PRO 199 N 5.37 2.55 -4.00 -1.68 -0.04 -1.26 -4.82 135.00 131.12 3mkq n PRO 199 Ca -0.07 -2.44 -0.22 0.00 -0.04 0.00 0.00 63.50 60.74 3mkq n PRO 199 Cb 0.50 -3.21 -0.04 0.00 -0.04 0.00 0.00 33.50 30.70 3mkq n PRO 199 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mkq s TYR 200 N 3.61 2.98 0.06 0.54 2.02 -1.26 -0.96 117.35 124.33 3mkq s TYR 200 Ca 0.49 -0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.92 3mkq s TYR 200 Cb 0.14 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 3mkq s TYR 200 CO -0.04 0.38 0.12 -1.64 -1.57 0.00 0.00 175.55 172.79 3mkq s MET 201 N -3.90 0.68 0.00 -0.62 -1.94 0.50 -2.11 119.30 111.91 3mkq s MET 201 Ca 0.36 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 3mkq s MET 201 Cb -0.07 0.27 -0.01 0.00 2.01 0.00 0.00 34.83 37.04 3mkq s MET 201 CO 0.25 -0.19 -0.04 -1.50 -0.01 0.00 0.00 175.02 173.53 3mkq s ILE 202 N -3.18 0.33 0.06 2.53 2.07 -0.03 0.33 121.20 123.31 3mkq s ILE 202 Ca -0.00 -0.26 0.06 0.00 -1.41 0.00 0.00 60.65 59.03 3mkq s ILE 202 Cb 0.02 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 3mkq s ILE 202 CO -0.07 0.04 -0.16 0.42 -1.91 0.00 0.00 174.94 173.26 3mkq s THR 203 N -0.23 1.29 0.05 4.00 -4.23 -0.63 -1.75 115.64 114.15 3mkq s THR 203 Ca 0.00 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 3mkq s THR 203 Cb -0.02 -1.18 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 3mkq s THR 203 CO -0.00 -0.04 -0.24 0.00 -0.54 0.00 0.00 174.62 173.80 3mkq s ALA 204 N -1.02 2.38 0.10 3.99 0.00 -1.11 -1.40 121.76 124.71 3mkq s ALA 204 Ca 0.02 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 3mkq s ALA 204 Cb -0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3mkq s ALA 204 CO 0.02 0.55 -0.01 0.45 0.00 0.00 0.00 175.76 176.77 3mkq s SER 205 N -1.40 0.68 0.00 0.00 0.15 -1.09 0.35 113.70 112.39 3mkq s SER 205 Ca 0.13 -1.09 0.25 0.00 0.70 0.00 0.00 55.95 55.94 3mkq s SER 205 Cb -0.10 0.19 1.46 0.00 -1.71 0.00 0.00 66.02 65.86 3mkq s SER 205 CO 0.04 -0.61 1.86 0.47 1.20 0.00 0.00 173.24 176.20 3mkq n ASP 206 N -0.04 0.00 -0.48 5.45 8.00 -1.26 -2.69 116.55 125.54 3mkq n ASP 206 Ca -0.10 -0.95 0.03 0.00 0.71 0.00 0.00 54.79 54.48 3mkq n ASP 206 Cb 0.62 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.81 3mkq n ASP 206 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3mkq n ASP 207 N -0.95 1.34 0.00 -2.24 5.75 -1.26 -4.51 116.55 114.68 3mkq n ASP 207 Ca 0.18 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3mkq n ASP 207 Cb 0.08 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3mkq n ASP 207 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3mkq n LEU 208 N 0.11 0.26 -4.76 -2.12 4.77 -1.13 -5.01 117.00 109.12 3mkq n LEU 208 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 3mkq n LEU 208 Cb 0.24 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3mkq n LEU 208 CO 0.06 -0.13 -0.19 0.42 -1.33 0.00 0.00 177.39 176.21 3mkq s THR 209 N -3.18 3.47 -0.07 -5.08 -4.23 -1.26 -4.38 115.64 100.92 3mkq s THR 209 Ca 0.00 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3mkq s THR 209 Cb 0.00 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.78 3mkq s THR 209 CO 0.00 -0.24 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.12 3mkq s ILE 210 N -2.33 0.91 -0.04 2.99 1.01 -0.86 -2.68 121.20 120.21 3mkq s ILE 210 Ca 0.36 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.75 3mkq s ILE 210 Cb -0.05 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 3mkq s ILE 210 CO 0.23 0.31 -0.22 -0.54 0.00 0.00 0.00 174.94 174.73 3mkq s LYS 211 N 0.93 2.06 -0.08 2.79 1.02 -0.49 0.60 119.74 126.57 3mkq s LYS 211 Ca -0.10 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 3mkq s LYS 211 Cb -0.15 -1.85 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 3mkq s LYS 211 CO 0.01 0.39 0.29 0.42 -0.92 0.00 0.00 175.35 175.54 3mkq s ILE 212 N -0.27 5.25 -0.04 2.17 -1.09 0.62 -1.60 121.20 126.24 3mkq s ILE 212 Ca 0.02 0.57 0.04 0.00 -2.23 0.00 0.00 60.65 59.04 3mkq s ILE 212 Cb -0.11 -3.59 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 3mkq s ILE 212 CO 0.01 0.55 -0.14 0.26 -1.23 0.00 0.00 174.94 174.39 3mkq s TRP 213 N -0.71 1.44 -0.43 3.97 0.52 0.15 -0.40 118.94 123.48 3mkq s TRP 213 Ca 0.19 -0.39 -0.22 0.00 0.02 0.00 0.00 56.10 55.71 3mkq s TRP 213 Cb -0.14 -0.98 0.02 0.00 -1.15 0.00 0.00 33.47 31.22 3mkq s TRP 213 CO 0.08 -0.13 0.71 0.34 0.02 0.00 0.00 176.95 177.97 3mkq s ASP 214 N 0.06 6.38 0.00 2.95 -1.08 -0.97 -0.37 116.67 123.64 3mkq s ASP 214 Ca -0.03 -0.15 0.20 0.00 -0.52 0.00 0.00 52.55 52.06 3mkq s ASP 214 Cb -0.10 -2.35 1.20 0.00 -1.46 0.00 0.00 42.92 40.21 3mkq s ASP 214 CO 0.01 -0.81 1.63 0.00 0.52 0.00 0.00 175.17 176.53 3mkq n TYR 215 N 6.43 0.00 -0.11 -5.34 0.18 -0.14 0.42 117.16 118.59 3mkq n TYR 215 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 3mkq n TYR 215 Cb 0.48 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.31 3mkq n TYR 215 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3mkq n GLN 216 N -0.92 0.70 0.08 -3.48 6.02 -1.26 -4.43 117.38 114.09 3mkq n GLN 216 Ca 0.15 0.08 0.07 0.00 -0.01 0.00 0.00 57.00 57.30 3mkq n GLN 216 Cb 0.07 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 3mkq n GLN 216 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3mkq n THR 217 N -3.03 0.84 -1.22 5.09 -1.04 -1.09 -4.95 114.28 108.89 3mkq n THR 217 Ca -0.39 -0.60 -0.07 0.00 -2.04 0.00 0.00 64.05 60.94 3mkq n THR 217 Cb 1.04 -0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 69.02 3mkq n THR 217 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3mkq n LYS 218 N -2.76 -1.14 -4.14 -2.82 4.76 0.17 -4.98 118.16 107.25 3mkq n LYS 218 Ca -0.04 0.68 -0.31 0.00 -2.87 0.00 0.00 58.31 55.78 3mkq n LYS 218 Cb 0.66 -4.73 -0.08 0.00 -1.84 0.00 0.00 35.03 29.04 3mkq n LYS 218 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3mkq s SER 219 N -2.45 5.15 -0.37 4.39 1.04 -1.22 -4.91 113.70 115.33 3mkq s SER 219 Ca 0.00 -0.10 -0.28 0.00 0.48 0.00 0.00 55.95 56.04 3mkq s SER 219 Cb 0.00 -1.29 -0.01 0.00 0.10 0.00 0.00 66.02 64.82 3mkq s SER 219 CO 0.00 0.20 1.69 0.00 0.98 0.00 0.00 173.24 176.11 3mkq h VAL 221 N 6.71 1.36 -1.98 0.00 2.07 -1.08 -3.47 116.25 119.86 3mkq h VAL 221 Ca -0.32 -1.83 0.10 0.00 0.82 0.00 0.00 66.70 65.48 3mkq h VAL 221 Cb 1.15 1.88 -0.18 0.00 -1.52 0.00 0.00 31.29 32.62 3mkq h VAL 221 CO 1.06 0.55 0.52 0.00 0.02 0.00 0.00 177.57 179.72 3mkq s ALA 222 N -3.90 -1.87 -0.19 1.67 0.00 -1.21 -4.97 121.76 111.28 3mkq s ALA 222 Ca -0.05 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3mkq s ALA 222 Cb 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3mkq s ALA 222 CO 0.80 -0.55 -0.11 0.99 0.00 0.00 0.00 175.76 176.89 3mkq s THR 223 N -2.35 1.65 -0.26 0.00 2.01 -1.26 -0.27 115.64 115.16 3mkq s THR 223 Ca 0.02 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 60.87 3mkq s THR 223 Cb -0.01 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3mkq s THR 223 CO -0.05 0.21 0.51 -0.76 -0.69 0.00 0.00 174.62 173.85 3mkq s LEU 224 N 1.40 4.05 0.04 4.42 1.02 0.20 -4.94 118.68 124.87 3mkq s LEU 224 Ca -0.01 0.52 0.08 0.00 0.02 0.00 0.00 54.13 54.75 3mkq s LEU 224 Cb -0.16 -2.66 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 3mkq s LEU 224 CO -0.09 -0.29 -0.24 -1.61 0.02 0.00 0.00 176.35 174.15 3mkq s GLU 225 N 2.31 1.68 0.00 1.70 2.02 -1.26 -2.02 118.70 123.12 3mkq s GLU 225 Ca 0.21 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3mkq s GLU 225 Cb -0.16 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3mkq s GLU 225 CO 0.09 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.25 3mkq n GLY 226 N 1.88 0.31 3.79 -1.39 0.00 -1.26 -4.93 105.19 103.59 3mkq n GLY 226 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3mkq n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mkq s HIS 227 N 0.00 3.00 -0.29 1.61 3.76 -1.26 -4.97 115.29 117.13 3mkq s HIS 227 Ca 0.00 1.58 0.23 0.00 -0.15 0.00 0.00 55.06 56.72 3mkq s HIS 227 Cb 0.00 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 3mkq s HIS 227 CO 0.00 -0.96 0.97 -1.33 -0.85 0.00 0.00 174.74 172.57 3mkq n MET 228 N -0.76 0.54 -2.23 1.40 0.00 -1.26 -4.93 117.12 109.88 3mkq n MET 228 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 57.70 57.81 3mkq n MET 228 Cb 0.51 -1.73 -0.01 0.00 0.00 0.00 0.00 33.22 31.99 3mkq n MET 228 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3mkq n SER 229 N -2.45 0.49 -4.67 7.83 7.64 -1.26 -4.98 113.62 116.21 3mkq n SER 229 Ca -0.00 -1.21 -0.45 0.00 1.01 0.00 0.00 58.87 58.21 3mkq n SER 229 Cb 0.53 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 3mkq n SER 229 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3mkq n ASN 230 N -2.40 2.95 -4.56 6.43 3.02 -1.26 -4.49 115.26 114.95 3mkq n ASN 230 Ca 0.00 1.11 -0.42 0.00 -0.03 0.00 0.00 54.58 55.24 3mkq n ASN 230 Cb 0.06 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 37.74 3mkq n ASN 230 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mkq s VAL 231 N 0.47 4.75 0.18 2.41 1.01 -1.09 -0.82 120.40 127.31 3mkq s VAL 231 Ca 0.74 0.57 0.20 0.00 0.00 0.00 0.00 61.98 63.48 3mkq s VAL 231 Cb -0.67 -4.22 0.15 0.00 0.00 0.00 0.00 36.38 31.65 3mkq s VAL 231 CO 0.43 -0.53 1.76 0.28 0.00 0.00 0.00 175.10 177.05 3mkq h SER 232 N 8.70 0.00 -4.97 3.32 0.02 0.99 -3.35 113.55 118.27 3mkq h SER 232 Ca -0.25 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.90 3mkq h SER 232 Cb 1.09 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.50 3mkq h SER 232 CO 0.91 0.34 0.63 0.72 -1.14 0.00 0.00 176.83 178.29 3mkq s PHE 233 N -3.66 -0.18 -0.29 3.45 -0.12 -1.13 -4.55 117.98 111.50 3mkq s PHE 233 Ca -0.00 0.02 -0.14 0.00 -0.05 0.00 0.00 56.93 56.77 3mkq s PHE 233 Cb 0.11 0.56 0.12 0.00 -0.63 0.00 0.00 43.02 43.18 3mkq s PHE 233 CO 0.68 -0.49 0.76 0.00 -0.05 0.00 0.00 175.22 176.12 3mkq s ALA 234 N -2.87 -2.13 0.21 1.99 0.00 -1.25 -1.08 121.76 116.63 3mkq s ALA 234 Ca 0.10 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.37 3mkq s ALA 234 Cb 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 3mkq s ALA 234 CO -0.04 -0.67 0.09 0.14 0.00 0.00 0.00 175.76 175.28 3mkq s VAL 235 N 2.19 0.33 -0.10 0.00 -7.23 -0.15 -4.54 120.40 110.89 3mkq s VAL 235 Ca -0.07 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.00 3mkq s VAL 235 Cb -0.08 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3mkq s VAL 235 CO -0.18 -0.14 0.26 -0.36 -0.31 0.00 0.00 175.10 174.37 3mkq s PHE 236 N -3.92 3.58 0.41 2.82 0.40 -1.26 -1.46 117.98 118.55 3mkq s PHE 236 Ca 0.34 0.67 -0.24 0.00 -0.60 0.00 0.00 56.93 57.10 3mkq s PHE 236 Cb 0.07 -2.18 -0.09 0.00 0.51 0.00 0.00 43.02 41.34 3mkq s PHE 236 CO 0.10 0.53 1.08 -1.58 0.70 0.00 0.00 175.22 176.06 3mkq s HIS 237 N -0.50 3.17 0.17 0.36 2.46 -0.99 -4.91 115.29 115.05 3mkq s HIS 237 Ca 0.17 1.61 -0.00 0.00 0.47 0.00 0.00 55.06 57.31 3mkq s HIS 237 Cb -0.14 -3.21 0.04 0.00 -0.13 0.00 0.00 32.58 29.15 3mkq s HIS 237 CO 0.06 -0.87 1.41 -1.00 -2.47 0.00 0.00 174.74 171.87 3mkq h PRO 238 N 2.44 0.34 0.00 2.88 0.13 -1.91 -3.39 132.00 132.49 3mkq h PRO 238 Ca -0.48 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 64.34 3mkq h PRO 238 Cb 1.22 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3mkq h PRO 238 CO 0.62 0.97 -1.38 0.25 -0.23 0.00 0.00 178.00 178.23 3mkq n THR 239 N -3.78 0.01 -4.02 1.56 -2.24 -1.26 -4.92 114.28 99.63 3mkq n THR 239 Ca -0.04 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 3mkq n THR 239 Cb 0.74 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 3mkq n THR 239 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mkq s LEU 240 N -3.58 4.04 -0.19 3.22 2.01 -1.26 -4.99 118.68 117.92 3mkq s LEU 240 Ca -0.03 0.02 -0.06 0.00 0.01 0.00 0.00 54.13 54.07 3mkq s LEU 240 Cb 0.05 -2.64 -0.24 0.00 0.01 0.00 0.00 46.19 43.37 3mkq s LEU 240 CO 0.34 0.08 3.51 -0.81 1.01 0.00 0.00 176.35 180.48 3mkq n PRO 241 N -0.28 2.17 -4.30 1.29 -0.04 -1.26 -4.42 135.00 128.16 3mkq n PRO 241 Ca -0.08 -1.13 -0.17 0.00 -0.04 0.00 0.00 63.50 62.08 3mkq n PRO 241 Cb 0.54 -2.09 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 3mkq n PRO 241 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3mkq s ILE 242 N 1.17 0.20 -0.03 0.52 -4.36 -1.26 -1.18 121.20 116.26 3mkq s ILE 242 Ca 0.66 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.09 3mkq s ILE 242 Cb 0.30 -2.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 3mkq s ILE 242 CO -0.01 0.00 -0.12 -0.63 0.24 0.00 0.00 174.94 174.42 3mkq s ILE 243 N -3.71 1.04 -0.12 8.37 1.01 0.20 -2.36 121.20 125.63 3mkq s ILE 243 Ca 0.37 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3mkq s ILE 243 Cb 0.05 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3mkq s ILE 243 CO 0.18 0.31 -0.06 -0.63 0.00 0.00 0.00 174.94 174.74 3mkq s ILE 244 N 0.05 3.70 0.15 2.92 -1.09 -0.54 0.14 121.20 126.53 3mkq s ILE 244 Ca -0.02 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 3mkq s ILE 244 Cb -0.09 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 3mkq s ILE 244 CO 0.01 0.54 -0.10 -0.94 -1.23 0.00 0.00 174.94 173.22 3mkq s SER 245 N -0.05 1.78 -0.03 3.58 1.04 -0.10 -0.97 113.70 118.95 3mkq s SER 245 Ca 0.00 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.38 3mkq s SER 245 Cb -0.13 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.99 3mkq s SER 245 CO 0.03 -0.34 0.09 -0.83 0.98 0.00 0.00 173.24 173.17 3mkq s GLY 246 N -3.17 -0.07 0.26 7.32 0.00 -0.24 -1.23 107.32 110.19 3mkq s GLY 246 Ca 0.17 0.25 0.03 0.00 0.00 0.00 0.00 44.72 45.17 3mkq s GLY 246 CO 0.01 0.22 0.04 -0.45 0.00 0.00 0.00 173.10 172.92 3mkq s SER 247 N 0.05 1.72 0.00 1.64 0.15 -0.77 0.14 113.70 116.63 3mkq s SER 247 Ca -0.00 -1.31 0.16 0.00 0.70 0.00 0.00 55.95 55.50 3mkq s SER 247 Cb -0.01 0.04 0.93 0.00 -1.71 0.00 0.00 66.02 65.28 3mkq s SER 247 CO 0.00 -0.61 1.60 -0.62 1.20 0.00 0.00 173.24 174.82 3mkq n GLU 248 N -0.49 1.06 -0.11 5.44 1.02 0.00 -1.86 120.64 125.71 3mkq n GLU 248 Ca -0.03 -0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3mkq n GLU 248 Cb 0.65 -1.26 0.12 0.00 -0.02 0.00 0.00 31.44 30.93 3mkq n GLU 248 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mkq n ASP 249 N -0.66 1.20 -0.51 1.62 5.68 -1.26 -4.58 116.55 118.03 3mkq n ASP 249 Ca 0.12 -1.98 -0.07 0.00 -0.50 0.00 0.00 54.79 52.37 3mkq n ASP 249 Cb 0.08 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 39.88 3mkq n ASP 249 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mkq n GLY 250 N 0.87 0.88 3.53 6.12 0.00 -1.03 -4.95 105.19 110.60 3mkq n GLY 250 Ca 0.08 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3mkq n GLY 250 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mkq s THR 251 N -2.20 2.87 -0.06 2.61 -1.32 -1.25 -4.39 115.64 111.89 3mkq s THR 251 Ca 0.00 -2.04 0.04 0.00 -1.21 0.00 0.00 61.69 58.48 3mkq s THR 251 Cb 0.00 -2.47 -0.00 0.00 -1.51 0.00 0.00 72.50 68.52 3mkq s THR 251 CO 0.00 -0.27 -0.19 -0.22 -2.21 0.00 0.00 174.62 171.73 3mkq s LEU 252 N -3.24 1.92 -0.04 9.08 2.96 0.12 -1.85 118.68 127.62 3mkq s LEU 252 Ca 0.27 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3mkq s LEU 252 Cb -0.07 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.53 3mkq s LEU 252 CO 0.15 0.14 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.63 3mkq s LYS 253 N 0.20 1.69 -0.21 1.98 1.02 -0.37 0.99 119.74 125.05 3mkq s LYS 253 Ca -0.09 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 3mkq s LYS 253 Cb -0.14 -1.47 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 3mkq s LYS 253 CO 0.04 0.21 0.04 0.42 -0.92 0.00 0.00 175.35 175.14 3mkq s ILE 254 N 0.12 4.38 0.22 2.17 1.01 0.76 -0.92 121.20 128.93 3mkq s ILE 254 Ca -0.05 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.53 3mkq s ILE 254 Cb -0.12 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3mkq s ILE 254 CO 0.02 0.41 -0.09 0.26 0.00 0.00 0.00 174.94 175.55 3mkq s TRP 255 N 0.93 2.60 -0.34 3.97 0.52 0.12 -0.03 118.94 126.70 3mkq s TRP 255 Ca 0.03 -0.24 -0.26 0.00 0.02 0.00 0.00 56.10 55.65 3mkq s TRP 255 Cb -0.14 -1.22 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 3mkq s TRP 255 CO 0.02 0.57 0.90 1.21 0.02 0.00 0.00 176.95 179.67 3mkq s ASN 256 N -3.13 6.71 0.62 2.95 3.04 -1.01 -0.63 114.94 123.48 3mkq s ASN 256 Ca 0.27 0.66 0.29 0.00 0.04 0.00 0.00 52.86 54.12 3mkq s ASN 256 Cb -0.08 -2.46 1.54 0.00 -1.54 0.00 0.00 41.25 38.72 3mkq s ASN 256 CO 0.16 -0.79 1.92 0.28 -3.04 0.00 0.00 177.10 175.63 3mkq h SER 257 N 8.32 0.00 0.00 -4.21 0.02 -1.43 0.69 113.55 116.94 3mkq h SER 257 Ca -0.23 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.45 3mkq h SER 257 Cb 1.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 3mkq h SER 257 CO 0.96 0.00 -1.86 -1.20 -1.14 0.00 0.00 176.83 173.59 3mkq n SER 258 N -3.40 1.17 -0.21 3.07 7.64 -1.26 -4.64 113.62 115.99 3mkq n SER 258 Ca 0.04 0.20 -0.09 0.00 1.01 0.00 0.00 58.87 60.03 3mkq n SER 258 Cb 0.53 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.26 3mkq n SER 258 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3mkq h THR 259 N -0.59 1.26 -0.17 0.44 2.02 -1.94 -3.46 112.91 110.47 3mkq h THR 259 Ca -0.40 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 65.67 3mkq h THR 259 Cb 1.33 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3mkq h THR 259 CO -0.24 0.38 -0.06 -1.22 0.37 0.00 0.00 175.52 174.74 3mkq n TYR 260 N -4.28 0.00 -3.66 3.16 0.53 0.24 -5.00 117.16 108.14 3mkq n TYR 260 Ca 0.03 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.55 3mkq n TYR 260 Cb 0.30 -0.99 -0.05 0.00 -1.03 0.00 0.00 39.34 37.56 3mkq n TYR 260 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 3mkq s LYS 261 N -1.86 3.69 0.06 -0.72 1.02 -1.26 -4.79 119.74 115.88 3mkq s LYS 261 Ca 0.00 0.09 -0.33 0.00 0.02 0.00 0.00 55.97 55.75 3mkq s LYS 261 Cb 0.00 -3.08 -0.12 0.00 -0.52 0.00 0.00 37.83 34.11 3mkq s LYS 261 CO 0.00 0.63 1.75 1.55 -0.92 0.00 0.00 175.35 178.37 3mkq n VAL 262 N 1.22 0.31 0.11 3.17 3.14 -1.26 -2.40 118.33 122.61 3mkq n VAL 262 Ca -0.11 -0.06 0.11 0.00 -2.96 0.00 0.00 64.34 61.32 3mkq n VAL 262 Cb 0.53 -1.81 -0.14 0.00 -1.06 0.00 0.00 33.84 31.36 3mkq n VAL 262 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3mkq n GLU 263 N 5.16 0.59 0.00 1.45 4.07 0.96 -4.90 120.64 127.97 3mkq n GLU 263 Ca 0.19 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 3mkq n GLU 263 Cb 0.31 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 3mkq n GLU 263 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3mkq n LYS 264 N -2.24 0.00 -5.17 5.31 4.81 -0.89 -4.97 118.16 115.01 3mkq n LYS 264 Ca -0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.09 3mkq n LYS 264 Cb 0.54 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.43 3mkq n LYS 264 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3mkq s THR 265 N -0.43 2.19 -0.02 3.15 -4.23 -1.26 -0.17 115.64 114.87 3mkq s THR 265 Ca 0.00 -0.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 3mkq s THR 265 Cb 0.00 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 3mkq s THR 265 CO 0.00 0.56 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.72 3mkq s LEU 266 N 0.23 2.65 -0.39 4.79 1.02 0.28 -4.94 118.68 122.31 3mkq s LEU 266 Ca -0.15 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.73 3mkq s LEU 266 Cb -0.17 -1.54 0.12 0.00 0.02 0.00 0.00 46.19 44.62 3mkq s LEU 266 CO 0.08 0.31 0.16 0.21 0.02 0.00 0.00 176.35 177.12 3mkq s ASN 267 N -0.97 4.14 0.00 2.29 3.84 -1.26 0.10 114.94 123.08 3mkq s ASN 267 Ca 0.13 -2.31 0.14 0.00 0.21 0.00 0.00 52.86 51.02 3mkq s ASN 267 Cb -0.11 -1.24 0.66 0.00 -0.55 0.00 0.00 41.25 40.02 3mkq s ASN 267 CO 0.02 -0.33 1.39 1.33 -2.79 0.00 0.00 177.10 176.72 3mkq n VAL 268 N 3.99 0.75 -2.22 -5.21 0.24 -1.26 -4.90 118.33 109.73 3mkq n VAL 268 Ca 0.04 0.19 -0.03 0.00 -2.04 0.00 0.00 64.34 62.50 3mkq n VAL 268 Cb 0.38 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 3mkq n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mkq n GLY 269 N -0.11 0.42 0.09 7.63 0.00 -1.26 -4.95 105.19 107.02 3mkq n GLY 269 Ca 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.43 3mkq n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mkq n LEU 270 N -0.55 2.04 0.00 0.99 4.77 -1.26 -5.04 117.00 117.95 3mkq n LEU 270 Ca -0.02 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 3mkq n LEU 270 Cb 0.52 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3mkq n LEU 270 CO 0.05 0.62 0.00 -0.62 -1.33 0.00 0.00 177.39 176.10 3mkq n GLU 271 N -1.12 0.00 -1.89 3.23 -0.58 -1.26 -1.74 120.64 117.28 3mkq n GLU 271 Ca 0.11 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 3mkq n GLU 271 Cb 0.57 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.41 3mkq n GLU 271 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3mkq s ARG 272 N 0.00 4.20 -0.08 3.49 0.52 -1.26 -3.90 118.95 121.91 3mkq s ARG 272 Ca 0.00 2.42 -0.19 0.00 -0.52 0.00 0.00 55.73 57.44 3mkq s ARG 272 Cb 0.00 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 3mkq s ARG 272 CO 0.00 -0.61 0.54 0.45 0.02 0.00 0.00 175.30 175.70 3mkq s SER 273 N 0.94 6.80 0.00 0.23 0.15 -0.77 -0.95 113.70 120.09 3mkq s SER 273 Ca 0.68 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.29 3mkq s SER 273 Cb -0.45 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3mkq s SER 273 CO 0.35 0.01 0.00 0.79 1.20 0.00 0.00 173.24 175.59 3mkq n TRP 274 N 3.45 0.00 -4.07 3.44 7.02 0.22 -4.33 117.44 123.17 3mkq n TRP 274 Ca -0.06 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.34 3mkq n TRP 274 Cb 0.51 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.30 3mkq n TRP 274 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mkq s ILE 276 N -3.23 0.41 0.03 0.00 1.10 -1.26 -0.28 121.20 117.96 3mkq s ILE 276 Ca 0.02 -1.39 -0.21 0.00 -0.51 0.00 0.00 60.65 58.56 3mkq s ILE 276 Cb 0.03 -0.96 0.04 0.00 0.15 0.00 0.00 42.46 41.73 3mkq s ILE 276 CO -0.07 -0.65 0.47 0.00 -2.11 0.00 0.00 174.94 172.58 3mkq s ALA 277 N -2.44 -1.20 0.04 1.50 0.00 0.21 -4.78 121.76 115.09 3mkq s ALA 277 Ca -0.03 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.50 3mkq s ALA 277 Cb -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 3mkq s ALA 277 CO -0.03 -0.44 -0.09 0.95 0.00 0.00 0.00 175.76 176.14 3mkq s THR 278 N -2.17 0.69 0.07 0.00 -4.23 -1.26 -1.17 115.64 107.57 3mkq s THR 278 Ca -0.07 -0.92 -0.31 0.00 -1.18 0.00 0.00 61.69 59.21 3mkq s THR 278 Cb -0.01 -0.69 -0.10 0.00 1.34 0.00 0.00 72.50 73.03 3mkq s THR 278 CO 0.00 -0.19 1.88 1.57 -0.54 0.00 0.00 174.62 177.34 3mkq n HIS 279 N 1.82 2.53 0.00 3.99 -0.00 -0.32 -4.73 115.22 118.52 3mkq n HIS 279 Ca -0.20 -0.19 0.00 0.00 0.46 0.00 0.00 57.72 57.79 3mkq n HIS 279 Cb 0.55 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 3mkq n HIS 279 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3mkq n PRO 280 N 6.33 0.00 -0.08 1.57 -0.04 -1.26 -0.78 135.00 140.74 3mkq n PRO 280 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3mkq n PRO 280 Cb 0.37 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 3mkq n PRO 280 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3mkq n THR 281 N 0.20 0.00 -1.81 0.52 5.66 -1.26 -5.03 114.28 112.55 3mkq n THR 281 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 3mkq n THR 281 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3mkq n THR 281 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mkq n GLY 282 N 0.00 1.13 3.70 1.09 0.00 0.04 -4.95 105.19 106.20 3mkq n GLY 282 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3mkq n GLY 282 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mkq n ARG 283 N -2.57 2.61 -1.31 1.61 0.63 -1.26 -1.07 116.66 115.30 3mkq n ARG 283 Ca -0.20 0.94 -0.08 0.00 -0.92 0.00 0.00 57.85 57.59 3mkq n ARG 283 Cb 0.64 -2.78 -0.03 0.00 0.45 0.00 0.00 32.46 30.74 3mkq n ARG 283 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3mkq n LYS 284 N 4.06 -1.25 -3.54 -0.14 5.02 -1.26 -0.81 118.16 120.24 3mkq n LYS 284 Ca 0.17 0.49 -0.26 0.00 -2.02 0.00 0.00 58.31 56.69 3mkq n LYS 284 Cb 0.33 -4.67 0.01 0.00 -0.02 0.00 0.00 35.03 30.68 3mkq n LYS 284 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mkq n ASN 285 N -0.05 -4.29 -4.76 4.39 3.02 -0.23 -3.32 115.26 110.01 3mkq n ASN 285 Ca -0.08 -0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 53.54 3mkq n ASN 285 Cb 0.29 -3.50 0.01 0.00 -0.61 0.00 0.00 39.78 35.98 3mkq n ASN 285 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mkq s TYR 286 N -3.09 2.54 0.06 3.10 4.12 0.01 -2.56 117.35 121.54 3mkq s TYR 286 Ca 0.49 1.32 -0.08 0.00 0.02 0.00 0.00 57.07 58.82 3mkq s TYR 286 Cb -0.25 -3.83 -0.01 0.00 -1.52 0.00 0.00 41.96 36.35 3mkq s TYR 286 CO 0.60 -2.69 0.15 0.96 0.02 0.00 0.00 175.55 174.60 3mkq s ILE 287 N -1.23 0.14 -0.06 2.71 -4.36 -0.49 -1.17 121.20 116.72 3mkq s ILE 287 Ca 0.61 -1.15 -0.12 0.00 -0.26 0.00 0.00 60.65 59.73 3mkq s ILE 287 Cb -0.42 -1.16 0.02 0.00 1.25 0.00 0.00 42.46 42.16 3mkq s ILE 287 CO 0.53 -0.63 0.30 0.00 0.24 0.00 0.00 174.94 175.38 3mkq s ALA 288 N -3.29 -0.74 0.02 2.27 0.00 -0.32 -0.79 121.76 118.91 3mkq s ALA 288 Ca 0.01 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.55 3mkq s ALA 288 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3mkq s ALA 288 CO -0.08 -0.20 -0.06 0.45 0.00 0.00 0.00 175.76 175.88 3mkq s SER 289 N -0.58 0.61 -0.06 0.00 0.15 -0.78 -0.62 113.70 112.42 3mkq s SER 289 Ca -0.07 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 3mkq s SER 289 Cb -0.04 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 3mkq s SER 289 CO 0.02 -0.12 0.03 -0.83 1.20 0.00 0.00 173.24 173.53 3mkq s GLY 290 N -1.00 1.91 0.31 9.45 0.00 0.62 -2.31 107.32 116.30 3mkq s GLY 290 Ca -0.07 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.85 3mkq s GLY 290 CO -0.00 -0.63 0.13 -1.36 0.00 0.00 0.00 173.10 171.24 3mkq s PHE 291 N -0.99 1.66 0.27 1.90 0.40 0.29 0.69 117.98 122.20 3mkq s PHE 291 Ca 0.16 -1.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.21 3mkq s PHE 291 Cb -0.12 -0.96 0.58 0.00 0.51 0.00 0.00 43.02 43.03 3mkq s PHE 291 CO 0.06 -0.40 1.72 -0.44 0.70 0.00 0.00 175.22 176.86 3mkq h ASP 292 N 2.17 0.33 -0.47 1.36 3.32 -1.02 -1.81 116.42 120.29 3mkq h ASP 292 Ca -0.35 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3mkq h ASP 292 Cb 1.25 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3mkq h ASP 292 CO 0.56 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.75 3mkq n ASN 293 N -5.00 3.47 0.00 6.45 3.02 -0.71 -1.66 115.26 120.83 3mkq n ASN 293 Ca 0.18 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 3mkq n ASN 293 Cb 0.51 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3mkq n ASN 293 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mkq n GLY 294 N 1.38 0.62 3.34 7.41 0.00 -0.93 -1.14 105.19 115.88 3mkq n GLY 294 Ca 0.19 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 3mkq n GLY 294 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mkq s PHE 295 N -3.16 1.61 -0.01 1.61 -0.71 -0.86 0.11 117.98 116.57 3mkq s PHE 295 Ca 0.00 -1.01 -0.09 0.00 -1.04 0.00 0.00 56.93 54.79 3mkq s PHE 295 Cb 0.00 -0.96 0.01 0.00 -1.21 0.00 0.00 43.02 40.85 3mkq s PHE 295 CO 0.00 -0.13 0.18 -0.08 -1.34 0.00 0.00 175.22 173.86 3mkq s THR 296 N -3.51 0.07 -0.08 -4.49 -1.32 -0.98 -1.84 115.64 103.51 3mkq s THR 296 Ca 0.32 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 3mkq s THR 296 Cb 0.07 -0.47 0.02 0.00 -1.51 0.00 0.00 72.50 70.61 3mkq s THR 296 CO 0.11 -0.33 -0.11 0.54 -2.21 0.00 0.00 174.62 172.62 3mkq s VAL 297 N -1.28 1.12 0.22 5.08 0.11 -0.08 -1.87 120.40 123.69 3mkq s VAL 297 Ca -0.14 -0.44 0.10 0.00 -2.93 0.00 0.00 61.98 58.57 3mkq s VAL 297 Cb -0.07 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 3mkq s VAL 297 CO 0.02 0.36 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.20 3mkq s LEU 298 N 0.87 2.52 -0.15 2.54 1.43 0.03 -2.32 118.68 123.60 3mkq s LEU 298 Ca -0.11 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.01 3mkq s LEU 298 Cb -0.15 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 3mkq s LEU 298 CO 0.01 -0.02 -0.06 -0.55 0.23 0.00 0.00 176.35 175.96 3mkq s SER 299 N -3.12 4.53 0.00 2.29 0.15 -0.30 -1.40 113.70 115.85 3mkq s SER 299 Ca 0.23 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.92 3mkq s SER 299 Cb -0.05 -1.73 0.38 0.00 -1.71 0.00 0.00 66.02 62.92 3mkq s SER 299 CO 0.10 0.15 1.32 0.18 1.20 0.00 0.00 173.24 176.20 3mkq n LEU 300 N 3.63 0.89 0.00 3.45 4.77 -1.06 -1.28 117.00 127.39 3mkq n LEU 300 Ca -0.18 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3mkq n LEU 300 Cb 0.52 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3mkq n LEU 300 CO 0.32 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3mkq n GLY 301 N 1.45 2.05 3.77 -0.72 0.00 -1.22 -2.65 105.19 107.87 3mkq n GLY 301 Ca 0.07 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 3mkq n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s ASN 302 N 0.00 6.23 -0.41 1.61 2.20 -1.26 -4.11 114.94 119.20 3mkq s ASN 302 Ca 0.00 2.24 0.05 0.00 -0.94 0.00 0.00 52.86 54.21 3mkq s ASN 302 Cb 0.00 -2.60 0.56 0.00 -2.00 0.00 0.00 41.25 37.22 3mkq s ASN 302 CO 0.00 -0.87 1.71 -0.90 -2.94 0.00 0.00 177.10 174.10 3mkq n ASP 303 N -0.51 3.88 -4.75 3.54 5.68 -1.26 -4.91 116.55 118.22 3mkq n ASP 303 Ca 0.07 -3.72 -0.41 0.00 -0.50 0.00 0.00 54.79 50.23 3mkq n ASP 303 Cb 0.49 -0.75 -0.02 0.00 -1.14 0.00 0.00 41.12 39.70 3mkq n ASP 303 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3mkq s GLU 304 N -3.38 4.27 0.44 0.11 2.02 -1.26 -4.79 118.70 116.11 3mkq s GLU 304 Ca 0.53 2.30 -0.25 0.00 0.02 0.00 0.00 54.97 57.57 3mkq s GLU 304 Cb 0.45 -3.11 -0.08 0.00 0.10 0.00 0.00 34.13 31.49 3mkq s GLU 304 CO 0.04 -0.41 1.39 -1.25 0.02 0.00 0.00 175.26 175.05 3mkq s PRO 305 N -0.44 3.74 -0.84 0.39 0.04 -1.26 -4.93 135.00 131.70 3mkq s PRO 305 Ca 0.59 2.33 -0.18 0.00 0.04 0.00 0.00 61.00 63.78 3mkq s PRO 305 Cb -0.42 -2.66 0.15 0.00 0.04 0.00 0.00 34.50 31.61 3mkq s PRO 305 CO 0.44 -0.74 0.96 0.99 0.04 0.00 0.00 177.00 178.69 3mkq s THR 306 N -1.23 4.98 0.22 1.26 2.01 -1.26 -4.97 115.64 116.65 3mkq s THR 306 Ca 0.60 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 3mkq s THR 306 Cb -0.42 -4.65 0.02 0.00 0.01 0.00 0.00 72.50 67.46 3mkq s THR 306 CO 0.54 -1.32 0.55 -1.48 -0.69 0.00 0.00 174.62 172.22 3mkq s LEU 307 N 2.01 0.07 -0.06 4.42 2.34 -1.26 -2.07 118.68 124.13 3mkq s LEU 307 Ca 0.25 -0.60 -0.14 0.00 0.06 0.00 0.00 54.13 53.71 3mkq s LEU 307 Cb -0.09 2.17 0.03 0.00 -0.56 0.00 0.00 46.19 47.73 3mkq s LEU 307 CO -0.06 -1.12 0.32 -0.55 -1.06 0.00 0.00 176.35 173.87 3mkq s SER 308 N -2.91 -0.25 -0.19 1.48 0.15 0.44 -4.75 113.70 107.66 3mkq s SER 308 Ca 0.12 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 3mkq s SER 308 Cb -0.02 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3mkq s SER 308 CO 0.01 -0.32 -0.12 -0.22 1.20 0.00 0.00 173.24 173.79 3mkq s LEU 309 N -0.77 2.54 0.96 3.45 0.20 -1.26 -0.84 118.68 122.95 3mkq s LEU 309 Ca -0.09 -0.50 -0.13 0.00 0.69 0.00 0.00 54.13 54.11 3mkq s LEU 309 Cb -0.04 -1.61 0.16 0.00 -0.43 0.00 0.00 46.19 44.27 3mkq s LEU 309 CO 0.03 0.01 1.14 1.51 -0.29 0.00 0.00 176.35 178.75 3mkq s ASP 310 N 1.27 3.09 0.34 3.68 3.84 0.37 -4.93 116.67 124.33 3mkq s ASP 310 Ca 0.03 0.93 0.13 0.00 -0.00 0.00 0.00 52.55 53.65 3mkq s ASP 310 Cb -0.14 -1.46 1.01 0.00 -1.38 0.00 0.00 42.92 40.95 3mkq s ASP 310 CO -0.06 -2.81 1.71 -0.65 -0.00 0.00 0.00 175.17 173.36 3mkq h PRO 311 N -1.68 0.43 -0.02 2.11 0.11 -1.86 -2.89 132.00 128.21 3mkq h PRO 311 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3mkq h PRO 311 Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mkq h PRO 311 CO 0.58 0.29 -0.15 1.33 -0.21 0.00 0.00 178.00 179.83 3mkq n VAL 312 N -4.90 0.00 0.00 3.15 0.24 -1.26 -4.92 118.33 110.65 3mkq n VAL 312 Ca 0.29 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3mkq n VAL 312 Cb 0.88 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.62 3mkq n VAL 312 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mkq n GLY 313 N 1.26 1.03 3.56 7.63 0.00 -1.09 -4.91 105.19 112.68 3mkq n GLY 313 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3mkq n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 314 N 0.00 3.55 -0.07 1.61 1.02 -1.26 -1.20 119.74 123.39 3mkq s LYS 314 Ca 0.00 0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.97 3mkq s LYS 314 Cb 0.00 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 3mkq s LYS 314 CO 0.00 -1.08 0.35 -1.17 -0.92 0.00 0.00 175.35 172.53 3mkq s LEU 315 N 3.42 4.38 -0.03 3.17 2.96 -0.23 -0.48 118.68 131.86 3mkq s LEU 315 Ca 0.33 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 3mkq s LEU 315 Cb -0.12 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.10 3mkq s LEU 315 CO 0.22 0.23 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.72 3mkq s VAL 316 N -0.44 0.71 0.12 1.68 1.01 -0.02 -1.45 120.40 122.01 3mkq s VAL 316 Ca 0.21 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3mkq s VAL 316 Cb -0.15 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.61 3mkq s VAL 316 CO 0.09 0.23 0.32 -1.66 0.00 0.00 0.00 175.10 174.08 3mkq s TRP 317 N 0.24 -0.01 0.12 5.22 -2.14 -0.91 -0.42 118.94 121.03 3mkq s TRP 317 Ca -0.04 -0.35 0.07 0.00 2.66 0.00 0.00 56.10 58.44 3mkq s TRP 317 Cb -0.08 0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 3mkq s TRP 317 CO 0.00 -0.66 -0.08 -1.54 -2.66 0.00 0.00 176.95 172.02 3mkq s SER 318 N -2.84 4.46 0.24 -2.66 1.04 -0.88 -0.66 113.70 112.40 3mkq s SER 318 Ca 0.05 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3mkq s SER 318 Cb 0.03 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.28 3mkq s SER 318 CO -0.10 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.89 3mkq n GLY 319 N 0.51 0.36 0.00 7.32 0.00 0.15 -4.77 105.19 108.77 3mkq n GLY 319 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3mkq n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mkq n GLY 320 N 0.00 0.83 3.79 -0.02 0.00 -1.26 -4.75 105.19 103.78 3mkq n GLY 320 Ca 0.00 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3mkq n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 321 N -1.40 4.49 -1.00 1.61 1.02 -1.26 -3.61 119.74 119.58 3mkq s LYS 321 Ca 0.00 1.14 -0.03 0.00 0.02 0.00 0.00 55.97 57.10 3mkq s LYS 321 Cb 0.00 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3mkq s LYS 321 CO 0.00 0.40 0.38 0.09 -0.92 0.00 0.00 175.35 175.30 3mkq n ASN 322 N 0.92 -4.46 -3.60 2.83 3.02 -1.26 -5.00 115.26 107.70 3mkq n ASN 322 Ca -0.02 -0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.20 3mkq n ASN 322 Cb 0.50 -3.35 -0.07 0.00 -0.61 0.00 0.00 39.78 36.25 3mkq n ASN 322 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mkq s ALA 323 N -2.93 -1.72 0.54 5.41 0.00 -1.24 -4.88 121.76 116.94 3mkq s ALA 323 Ca 0.19 1.70 -0.21 0.00 0.00 0.00 0.00 51.96 53.63 3mkq s ALA 323 Cb -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3mkq s ALA 323 CO 0.23 -0.34 1.31 0.00 0.00 0.00 0.00 175.76 176.96 3mkq s ALA 324 N -0.23 2.80 0.41 0.00 0.00 -1.26 -4.51 121.76 118.97 3mkq s ALA 324 Ca -0.04 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.21 3mkq s ALA 324 Cb -0.03 -3.52 0.86 0.00 0.00 0.00 0.00 23.12 20.43 3mkq s ALA 324 CO 0.04 -1.23 2.05 0.00 0.00 0.00 0.00 175.76 176.62 3mkq h ALA 325 N 1.47 1.72 -0.25 0.00 0.00 -1.91 -1.25 119.26 119.04 3mkq h ALA 325 Ca -0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3mkq h ALA 325 Cb 1.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3mkq h ALA 325 CO 0.57 0.25 0.06 0.43 0.00 0.00 0.00 179.25 180.57 3mkq n SER 326 N -4.47 2.88 -4.69 0.00 7.64 -1.26 -2.98 113.62 110.73 3mkq n SER 326 Ca 0.04 -2.40 -0.35 0.00 1.01 0.00 0.00 58.87 57.16 3mkq n SER 326 Cb 0.08 -0.58 -0.09 0.00 -1.01 0.00 0.00 64.21 62.61 3mkq n SER 326 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3mkq s ASP 327 N -0.18 5.98 -0.13 6.43 1.11 -0.47 -0.98 116.67 128.43 3mkq s ASP 327 Ca 0.20 0.17 -0.04 0.00 0.18 0.00 0.00 52.55 53.06 3mkq s ASP 327 Cb 0.16 -2.04 -0.04 0.00 1.07 0.00 0.00 42.92 42.07 3mkq s ASP 327 CO 0.05 0.18 0.03 -0.63 1.18 0.00 0.00 175.17 175.98 3mkq s ILE 328 N 0.36 4.50 0.34 0.77 1.09 0.79 -0.67 121.20 128.38 3mkq s ILE 328 Ca 0.06 -0.16 0.04 0.00 -1.10 0.00 0.00 60.65 59.49 3mkq s ILE 328 Cb -0.12 -2.96 -0.06 0.00 -1.06 0.00 0.00 42.46 38.27 3mkq s ILE 328 CO -0.01 0.55 0.07 -0.36 -0.10 0.00 0.00 174.94 175.08 3mkq s PHE 329 N -0.32 1.92 -0.09 3.97 0.40 0.17 -1.41 117.98 122.63 3mkq s PHE 329 Ca 0.07 -1.02 -0.27 0.00 -0.60 0.00 0.00 56.93 55.11 3mkq s PHE 329 Cb -0.12 -1.26 0.06 0.00 0.51 0.00 0.00 43.02 42.21 3mkq s PHE 329 CO 0.02 -0.05 0.63 -0.08 0.70 0.00 0.00 175.22 176.44 3mkq s THR 330 N -3.29 0.01 -0.05 0.64 -1.32 -0.43 -2.15 115.64 109.04 3mkq s THR 330 Ca 0.34 -0.06 -0.14 0.00 -1.21 0.00 0.00 61.69 60.62 3mkq s THR 330 Cb 0.08 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 3mkq s THR 330 CO 0.15 -0.03 0.32 0.00 -2.21 0.00 0.00 174.62 172.84 3mkq s ALA 331 N -0.88 -0.80 -0.20 11.08 0.00 -0.53 -1.87 121.76 128.56 3mkq s ALA 331 Ca -0.09 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 3mkq s ALA 331 Cb -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 3mkq s ALA 331 CO 0.07 -0.23 0.11 0.08 0.00 0.00 0.00 175.76 175.80 3mkq s VAL 332 N -0.84 5.18 -0.05 0.00 1.01 -1.26 -1.07 120.40 123.36 3mkq s VAL 332 Ca -0.09 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 3mkq s VAL 332 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3mkq s VAL 332 CO 0.03 0.43 0.81 -0.63 0.00 0.00 0.00 175.10 175.74 3mkq s ILE 333 N 0.52 4.97 0.28 2.22 1.01 -0.34 -4.70 121.20 125.17 3mkq s ILE 333 Ca 0.06 1.69 0.10 0.00 0.00 0.00 0.00 60.65 62.50 3mkq s ILE 333 Cb -0.12 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3mkq s ILE 333 CO -0.00 0.20 -0.15 -0.13 0.00 0.00 0.00 174.94 174.86 3mkq s ARG 334 N 0.98 1.65 0.42 2.79 0.52 -1.26 -4.80 118.95 119.24 3mkq s ARG 334 Ca 0.43 -1.79 0.14 0.00 -0.52 0.00 0.00 55.73 54.00 3mkq s ARG 334 Cb -0.19 -1.59 1.01 0.00 0.52 0.00 0.00 34.95 34.70 3mkq s ARG 334 CO 0.21 0.23 1.92 0.78 0.02 0.00 0.00 175.30 178.46 3mkq h GLY 335 N 2.25 0.78 0.00 -3.53 0.00 -1.97 -3.33 103.07 97.27 3mkq h GLY 335 Ca -0.40 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3mkq h GLY 335 CO 0.64 0.07 0.00 0.70 0.00 0.00 0.00 176.54 177.95 3mkq n ASN 336 N -4.49 0.00 -0.79 0.19 5.03 -1.26 -4.80 115.26 109.14 3mkq n ASN 336 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 3mkq n ASN 336 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 3mkq n ASN 336 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3mkq n GLU 337 N 0.00 0.00 -2.95 3.52 4.71 -1.25 -4.78 120.64 119.89 3mkq n GLU 337 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.71 3mkq n GLU 337 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.41 3mkq n GLU 337 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3mkq s GLU 338 N 0.00 3.63 0.30 3.49 2.12 -1.26 -4.92 118.70 122.05 3mkq s GLU 338 Ca 0.00 -1.84 0.00 0.00 0.36 0.00 0.00 54.97 53.49 3mkq s GLU 338 Cb 0.00 -4.90 -0.02 0.00 0.26 0.00 0.00 34.13 29.47 3mkq s GLU 338 CO 0.00 -1.74 0.32 0.08 -0.54 0.00 0.00 175.26 173.38 3mkq s VAL 339 N 2.48 0.00 0.33 3.70 1.01 -1.26 -5.10 120.40 121.56 3mkq s VAL 339 Ca 0.32 -1.81 0.07 0.00 0.00 0.00 0.00 61.98 60.56 3mkq s VAL 339 Cb -0.05 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 3mkq s VAL 339 CO -0.09 0.00 0.43 -1.61 0.00 0.00 0.00 175.10 173.83 3mkq s GLU 340 N -3.55 3.07 0.00 2.72 2.02 -1.26 -4.98 118.70 116.72 3mkq s GLU 340 Ca 0.35 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3mkq s GLU 340 Cb 0.02 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3mkq s GLU 340 CO 0.20 0.09 0.95 1.04 0.02 0.00 0.00 175.26 177.57 3mkq n GLN 341 N -1.58 0.00 -0.02 1.61 1.13 -1.26 -1.55 117.38 115.71 3mkq n GLN 341 Ca -0.01 0.46 0.03 0.00 -1.94 0.00 0.00 57.00 55.54 3mkq n GLN 341 Cb 0.58 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.47 3mkq n GLN 341 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3mkq n ASP 342 N -1.45 1.76 -4.39 1.08 5.68 -1.26 -4.78 116.55 113.19 3mkq n ASP 342 Ca 0.00 -1.43 -0.31 0.00 -0.50 0.00 0.00 54.79 52.55 3mkq n ASP 342 Cb 0.00 -0.03 -0.14 0.00 -1.14 0.00 0.00 41.12 39.81 3mkq n ASP 342 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3mkq s GLU 343 N -0.64 2.09 0.40 0.11 0.41 -0.59 -5.12 118.70 115.36 3mkq s GLU 343 Ca 0.09 -0.95 -0.26 0.00 -0.41 0.00 0.00 54.97 53.44 3mkq s GLU 343 Cb 0.06 -2.12 -0.09 0.00 -1.78 0.00 0.00 34.13 30.20 3mkq s GLU 343 CO 0.08 0.55 1.25 -1.25 -0.49 0.00 0.00 175.26 175.40 3mkq s PRO 344 N -1.01 4.00 0.62 0.39 0.04 -1.26 -4.57 135.00 133.20 3mkq s PRO 344 Ca 0.12 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 3mkq s PRO 344 Cb -0.10 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 3mkq s PRO 344 CO 0.02 -0.42 1.06 -0.51 0.04 0.00 0.00 177.00 177.18 3mkq s LEU 345 N -2.45 3.41 -0.42 -3.56 1.02 0.17 -4.97 118.68 111.89 3mkq s LEU 345 Ca 0.57 1.77 -0.10 0.00 0.02 0.00 0.00 54.13 56.39 3mkq s LEU 345 Cb -0.35 -4.52 0.07 0.00 0.02 0.00 0.00 46.19 41.41 3mkq s LEU 345 CO 0.45 -1.22 0.27 -0.44 0.02 0.00 0.00 176.35 175.42 3mkq s SER 346 N -3.02 5.68 -0.02 2.29 0.01 -1.26 -4.68 113.70 112.70 3mkq s SER 346 Ca 0.62 -1.45 0.03 0.00 1.31 0.00 0.00 55.95 56.46 3mkq s SER 346 Cb -0.15 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3mkq s SER 346 CO 0.41 -0.53 -0.10 -0.76 0.41 0.00 0.00 173.24 172.67 3mkq s LEU 347 N 1.45 3.01 -0.30 2.44 1.43 -1.26 -4.93 118.68 120.52 3mkq s LEU 347 Ca 0.03 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 3mkq s LEU 347 Cb -0.23 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3mkq s LEU 347 CO 0.03 0.31 1.64 -1.10 0.23 0.00 0.00 176.35 177.46 3mkq s GLN 348 N -1.14 3.57 0.29 1.70 -1.52 -1.26 -4.97 119.66 116.33 3mkq s GLN 348 Ca 0.15 1.43 -0.17 0.00 -1.95 0.00 0.00 55.36 54.81 3mkq s GLN 348 Cb -0.11 -4.09 -0.09 0.00 -0.22 0.00 0.00 33.01 28.50 3mkq s GLN 348 CO 0.04 -1.56 0.74 0.99 -0.25 0.00 0.00 175.29 175.25 3mkq s THR 349 N 5.89 4.62 0.03 -0.19 2.01 -1.26 -4.34 115.64 122.40 3mkq s THR 349 Ca 0.73 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.72 3mkq s THR 349 Cb -0.22 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3mkq s THR 349 CO 0.32 -0.05 0.22 -0.54 -0.69 0.00 0.00 174.62 173.87 3mkq s LYS 350 N -2.62 0.67 -0.30 4.92 1.02 -0.78 -4.99 119.74 117.65 3mkq s LYS 350 Ca 0.50 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 3mkq s LYS 350 Cb -0.13 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.47 3mkq s LYS 350 CO 0.19 -0.19 0.79 -1.21 -0.92 0.00 0.00 175.35 174.01 3mkq s GLU 351 N -2.16 4.00 -0.03 1.68 2.02 -1.26 -1.31 118.70 121.63 3mkq s GLU 351 Ca -0.08 0.64 -0.01 0.00 0.02 0.00 0.00 54.97 55.53 3mkq s GLU 351 Cb -0.03 -3.72 -0.27 0.00 0.10 0.00 0.00 34.13 30.22 3mkq s GLU 351 CO -0.02 -0.65 0.73 1.25 0.02 0.00 0.00 175.26 176.59 3mkq h LEU 352 N 9.42 0.33 0.00 1.80 5.85 -1.52 -3.47 115.31 127.72 3mkq h LEU 352 Ca -0.24 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 57.94 3mkq h LEU 352 Cb 1.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3mkq h LEU 352 CO 0.88 1.46 0.00 0.61 -0.34 0.00 0.00 178.44 181.05 3mkq n GLY 353 N 1.72 -1.86 3.67 3.75 0.00 -1.06 -4.68 105.19 106.72 3mkq n GLY 353 Ca -0.20 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 3mkq n GLY 353 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mkq s SER 354 N -2.79 3.70 -0.01 1.61 1.04 -1.26 -0.15 113.70 115.84 3mkq s SER 354 Ca 0.00 -1.60 -0.10 0.00 0.48 0.00 0.00 55.95 54.73 3mkq s SER 354 Cb 0.00 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.48 3mkq s SER 354 CO 0.00 -0.80 0.19 -0.69 0.98 0.00 0.00 173.24 172.92 3mkq s VAL 355 N -2.95 0.07 0.23 5.02 1.01 -0.15 -4.87 120.40 118.76 3mkq s VAL 355 Ca 0.16 -0.58 0.14 0.00 0.00 0.00 0.00 61.98 61.69 3mkq s VAL 355 Cb 0.03 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.98 3mkq s VAL 355 CO 0.08 -0.32 1.67 0.44 0.00 0.00 0.00 175.10 176.97 3mkq h ASP 356 N 4.25 0.00 -1.23 3.32 5.19 -2.02 -3.45 116.42 122.48 3mkq h ASP 356 Ca -0.30 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.62 3mkq h ASP 356 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 3mkq h ASP 356 CO 0.40 0.51 -0.29 0.68 -3.12 0.00 0.00 179.24 177.42 3mkq s VAL 357 N -3.63 2.50 -0.65 -1.35 -7.23 -1.26 -5.05 120.40 103.73 3mkq s VAL 357 Ca -0.01 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 3mkq s VAL 357 Cb 0.12 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.38 3mkq s VAL 357 CO 0.73 0.00 1.12 0.12 -0.31 0.00 0.00 175.10 176.76 3mkq s PHE 358 N -2.52 2.54 -0.13 2.82 5.36 -1.26 -4.63 117.98 120.17 3mkq s PHE 358 Ca 0.50 -0.06 -0.37 0.00 -0.96 0.00 0.00 56.93 56.04 3mkq s PHE 358 Cb -0.05 -4.41 -0.15 0.00 -0.34 0.00 0.00 43.02 38.07 3mkq s PHE 358 CO 0.30 -1.73 1.69 -0.35 -1.46 0.00 0.00 175.22 173.68 3mkq n PRO 359 N 8.40 1.51 -0.06 10.12 -0.04 -1.26 -4.40 135.00 149.26 3mkq n PRO 359 Ca 0.02 0.55 -0.08 0.00 -0.04 0.00 0.00 63.50 63.96 3mkq n PRO 359 Cb 0.48 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.58 3mkq n PRO 359 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3mkq n GLN 360 N 5.03 1.42 -3.89 0.54 6.02 -0.20 -5.00 117.38 121.30 3mkq n GLN 360 Ca 0.23 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 57.14 3mkq n GLN 360 Cb 0.20 -1.30 -0.12 0.00 1.02 0.00 0.00 30.24 30.04 3mkq n GLN 360 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3mkq s SER 361 N -4.83 0.03 -0.07 1.08 1.04 -1.11 -4.87 113.70 104.98 3mkq s SER 361 Ca -0.11 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 3mkq s SER 361 Cb 0.04 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.35 3mkq s SER 361 CO 0.42 -0.19 -0.02 -0.22 0.98 0.00 0.00 173.24 174.21 3mkq s LEU 362 N -0.74 0.89 -0.12 2.42 1.98 -1.26 -1.91 118.68 119.94 3mkq s LEU 362 Ca -0.08 -0.13 -0.05 0.00 -2.89 0.00 0.00 54.13 50.98 3mkq s LEU 362 Cb -0.05 -0.50 0.06 0.00 0.66 0.00 0.00 46.19 46.35 3mkq s LEU 362 CO 0.00 -0.14 0.27 0.00 -1.89 0.00 0.00 176.35 174.59 3mkq s ALA 363 N 1.62 -0.61 0.61 5.97 0.00 -0.08 -4.32 121.76 124.96 3mkq s ALA 363 Ca 0.00 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 3mkq s ALA 363 Cb -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 3mkq s ALA 363 CO -0.04 -0.39 1.09 -1.01 0.00 0.00 0.00 175.76 175.41 3mkq s HIS 364 N 1.76 2.76 0.62 0.00 3.76 -1.26 -0.46 115.29 122.47 3mkq s HIS 364 Ca -0.05 1.54 -0.14 0.00 -0.15 0.00 0.00 55.06 56.25 3mkq s HIS 364 Cb -0.11 -3.13 -0.03 0.00 1.11 0.00 0.00 32.58 30.42 3mkq s HIS 364 CO -0.09 -1.45 1.05 -1.54 -0.85 0.00 0.00 174.74 171.87 3mkq s SER 365 N -2.50 5.71 0.60 1.40 1.04 0.44 -4.83 113.70 115.56 3mkq s SER 365 Ca 0.67 1.75 0.28 0.00 0.48 0.00 0.00 55.95 59.13 3mkq s SER 365 Cb -0.19 -2.52 1.22 0.00 0.10 0.00 0.00 66.02 64.62 3mkq s SER 365 CO 0.37 -1.22 1.61 1.55 0.98 0.00 0.00 173.24 176.53 3mkq h PRO 366 N 0.14 0.00 0.78 4.02 0.13 -1.90 -0.92 132.00 134.26 3mkq h PRO 366 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3mkq h PRO 366 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 3mkq h PRO 366 CO 0.57 0.00 -0.38 -0.97 -0.23 0.00 0.00 178.00 177.00 3mkq h ASN 367 N 0.00 -0.89 0.00 1.44 -0.73 -1.90 -3.44 115.58 110.06 3mkq h ASN 367 Ca 0.36 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.56 3mkq h ASN 367 Cb 2.06 0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.88 3mkq h ASN 367 CO -0.00 -0.61 0.00 0.61 -0.37 0.00 0.00 177.43 177.06 3mkq n GLY 368 N -1.31 1.69 0.15 1.57 0.00 -0.35 -4.62 105.19 102.32 3mkq n GLY 368 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3mkq n GLY 368 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mkq h ARG 369 N 0.60 0.00 -5.91 1.61 2.43 -1.92 -3.41 114.38 107.78 3mkq h ARG 369 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 3mkq h ARG 369 Cb 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 29.36 3mkq h ARG 369 CO 0.00 0.54 -0.79 -0.06 -1.51 0.00 0.00 179.97 178.15 3mkq s PHE 370 N -3.73 1.75 -0.07 2.20 0.08 -1.26 -0.26 117.98 116.69 3mkq s PHE 370 Ca -0.01 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3mkq s PHE 370 Cb 0.13 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.70 3mkq s PHE 370 CO 0.74 0.27 -0.07 0.08 -0.10 0.00 0.00 175.22 176.14 3mkq s VAL 371 N -1.84 0.84 -0.08 -0.44 1.01 -0.04 -0.42 120.40 119.43 3mkq s VAL 371 Ca 0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3mkq s VAL 371 Cb -0.07 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3mkq s VAL 371 CO 0.05 0.31 -0.04 -0.89 0.00 0.00 0.00 175.10 174.53 3mkq s THR 372 N 1.18 3.93 -0.16 3.92 2.01 0.39 -1.36 115.64 125.55 3mkq s THR 372 Ca -0.06 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.55 3mkq s THR 372 Cb -0.14 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3mkq s THR 372 CO -0.02 0.60 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 3mkq s VAL 373 N -0.80 1.56 -0.17 3.82 1.01 -0.52 -0.90 120.40 124.40 3mkq s VAL 373 Ca 0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3mkq s VAL 373 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3mkq s VAL 373 CO 0.02 0.39 0.07 -0.69 0.00 0.00 0.00 175.10 174.88 3mkq s VAL 374 N 1.48 4.83 -0.22 2.92 1.01 -0.80 -1.68 120.40 127.94 3mkq s VAL 374 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3mkq s VAL 374 Cb -0.14 -3.16 0.11 0.00 0.00 0.00 0.00 36.38 33.19 3mkq s VAL 374 CO -0.10 0.48 0.34 -0.83 0.00 0.00 0.00 175.10 174.99 3mkq s GLY 375 N 0.18 -0.29 -0.19 4.51 0.00 0.51 -1.04 107.32 111.00 3mkq s GLY 375 Ca 0.05 0.87 -0.17 0.00 0.00 0.00 0.00 44.72 45.47 3mkq s GLY 375 CO 0.00 2.45 0.28 1.34 0.00 0.00 0.00 173.10 177.17 3mkq n ASP 376 N 5.36 -4.47 -0.81 1.64 -0.08 -1.26 -2.25 116.55 114.67 3mkq n ASP 376 Ca -0.05 0.06 -0.11 0.00 -1.51 0.00 0.00 54.79 53.19 3mkq n ASP 376 Cb 0.50 -1.19 -0.05 0.00 2.34 0.00 0.00 41.12 42.73 3mkq n ASP 376 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3mkq n GLY 377 N 0.42 1.14 3.24 0.27 0.00 -1.24 -4.98 105.19 104.03 3mkq n GLY 377 Ca -0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3mkq n GLY 377 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mkq s GLU 378 N -2.73 0.97 -0.04 1.61 2.02 -0.95 -1.61 118.70 117.97 3mkq s GLU 378 Ca 0.00 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 53.71 3mkq s GLU 378 Cb 0.00 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.57 3mkq s GLU 378 CO 0.00 -0.31 0.26 1.52 0.02 0.00 0.00 175.26 176.74 3mkq s TYR 379 N -3.95 -0.16 -0.02 1.61 -0.85 -0.88 -0.36 117.35 112.74 3mkq s TYR 379 Ca 0.14 0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.96 3mkq s TYR 379 Cb 0.05 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.46 3mkq s TYR 379 CO -0.04 -0.30 0.06 0.14 -1.52 0.00 0.00 175.55 173.90 3mkq s VAL 380 N -0.93 0.01 -0.04 -3.49 -7.23 -0.68 -1.94 120.40 106.10 3mkq s VAL 380 Ca -0.10 -0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.03 3mkq s VAL 380 Cb -0.05 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.75 3mkq s VAL 380 CO 0.02 -0.06 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.89 3mkq s ILE 381 N -0.15 2.20 0.14 -0.62 1.01 -0.31 -1.43 121.20 122.04 3mkq s ILE 381 Ca -0.02 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.63 3mkq s ILE 381 Cb -0.02 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3mkq s ILE 381 CO 0.00 0.58 -0.08 -0.31 0.00 0.00 0.00 174.94 175.13 3mkq s TYR 382 N -0.41 1.19 -0.15 3.97 1.51 -0.47 -0.36 117.35 122.63 3mkq s TYR 382 Ca 0.04 -0.82 -0.29 0.00 -1.01 0.00 0.00 57.07 54.98 3mkq s TYR 382 Cb -0.12 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 3mkq s TYR 382 CO 0.01 -0.00 1.08 0.95 -1.11 0.00 0.00 175.55 176.48 3mkq s THR 383 N -3.43 4.61 0.30 -0.71 -4.23 -0.75 -0.86 115.64 110.58 3mkq s THR 383 Ca 0.17 1.92 0.05 0.00 -1.18 0.00 0.00 61.69 62.65 3mkq s THR 383 Cb 0.04 -4.23 0.32 0.00 1.34 0.00 0.00 72.50 69.97 3mkq s THR 383 CO -0.00 -0.08 1.64 0.00 -0.54 0.00 0.00 174.62 175.64 3mkq h ALA 384 N 7.40 1.45 -2.74 3.99 0.00 -0.86 -1.38 119.26 127.12 3mkq h ALA 384 Ca -0.27 0.23 -0.63 0.00 0.00 0.00 0.00 54.91 54.24 3mkq h ALA 384 Cb 1.11 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3mkq h ALA 384 CO 0.92 -0.52 -0.33 -1.17 0.00 0.00 0.00 179.25 178.15 3mkq s LEU 385 N -10.63 4.40 0.00 0.00 1.98 -1.26 -4.29 118.68 108.88 3mkq s LEU 385 Ca -0.12 0.70 0.00 0.00 -2.89 0.00 0.00 54.13 51.83 3mkq s LEU 385 Cb 0.27 -2.36 0.00 0.00 0.66 0.00 0.00 46.19 44.77 3mkq s LEU 385 CO 0.78 0.32 0.00 0.00 -1.89 0.00 0.00 176.35 175.55 3mkq n ALA 386 N 2.18 0.00 -3.43 5.97 0.00 -1.26 -4.31 120.51 119.66 3mkq n ALA 386 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 3mkq n ALA 386 Cb 0.53 -0.04 0.06 0.00 0.00 0.00 0.00 19.45 20.01 3mkq n ALA 386 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3mkq n TRP 387 N -1.63 -2.23 -3.59 0.00 -0.00 -0.52 -4.99 117.44 104.48 3mkq n TRP 387 Ca 0.00 0.77 -0.36 0.00 -0.00 0.00 0.00 57.50 57.90 3mkq n TRP 387 Cb 0.00 -4.11 -0.07 0.00 -0.00 0.00 0.00 31.31 27.13 3mkq n TRP 387 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3mkq s ARG 388 N -5.09 4.12 0.09 5.87 0.52 -1.25 -4.76 118.95 118.45 3mkq s ARG 388 Ca 0.35 0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.32 3mkq s ARG 388 Cb -0.07 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 31.94 3mkq s ARG 388 CO 0.78 0.35 1.56 1.21 0.02 0.00 0.00 175.30 179.22 3mkq s ASN 389 N 0.13 6.66 -0.21 0.23 3.84 -1.26 -1.80 114.94 122.52 3mkq s ASN 389 Ca 0.16 2.45 0.02 0.00 0.21 0.00 0.00 52.86 55.69 3mkq s ASN 389 Cb -0.13 -2.57 -0.14 0.00 -0.55 0.00 0.00 41.25 37.86 3mkq s ASN 389 CO 0.04 -0.82 -0.18 0.29 -2.79 0.00 0.00 177.10 173.64 3mkq n LYS 390 N 4.96 0.53 -3.85 0.43 4.76 0.51 -4.97 118.16 120.53 3mkq n LYS 390 Ca 0.14 0.12 -0.07 0.00 -2.87 0.00 0.00 58.31 55.63 3mkq n LYS 390 Cb 0.41 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.17 3mkq n LYS 390 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mkq s ALA 391 N -2.42 -1.15 -0.29 7.82 0.00 -1.20 -4.97 121.76 119.56 3mkq s ALA 391 Ca -0.28 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 3mkq s ALA 391 Cb 0.07 0.82 0.18 0.00 0.00 0.00 0.00 23.12 24.19 3mkq s ALA 391 CO 0.48 -1.03 1.38 -0.59 0.00 0.00 0.00 175.76 176.00 3mkq s PHE 392 N -3.65 -0.13 0.00 0.00 -0.12 -1.26 -1.16 117.98 111.67 3mkq s PHE 392 Ca 0.12 0.31 0.00 0.00 -0.05 0.00 0.00 56.93 57.30 3mkq s PHE 392 Cb -0.06 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 3mkq s PHE 392 CO 0.08 -0.06 0.00 0.41 -0.05 0.00 0.00 175.22 175.60 3mkq n GLY 393 N 1.68 1.34 3.82 1.99 0.00 -0.82 -5.01 105.19 108.20 3mkq n GLY 393 Ca -0.11 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 3mkq n GLY 393 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 394 N -1.60 4.02 -0.14 1.61 -0.14 -1.26 -2.08 119.74 120.15 3mkq s LYS 394 Ca 0.00 0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 54.83 3mkq s LYS 394 Cb 0.00 -3.23 0.10 0.00 -1.68 0.00 0.00 37.83 33.01 3mkq s LYS 394 CO 0.00 0.65 0.84 0.00 -0.76 0.00 0.00 175.35 176.08 3mkq n GLN 396 N 1.20 0.67 -3.52 0.00 6.02 0.32 -2.98 117.38 119.10 3mkq n GLN 396 Ca -0.15 -0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.54 3mkq n GLN 396 Cb 0.57 -1.52 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 3mkq n GLN 396 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3mkq s ASP 397 N -4.72 -0.53 -0.10 1.08 -1.08 -1.24 -4.94 116.67 105.14 3mkq s ASP 397 Ca -0.08 0.28 -0.09 0.00 -0.52 0.00 0.00 52.55 52.13 3mkq s ASP 397 Cb 0.12 0.53 0.03 0.00 -1.46 0.00 0.00 42.92 42.14 3mkq s ASP 397 CO 0.88 -0.75 0.26 0.12 0.52 0.00 0.00 175.17 176.20 3mkq s PHE 398 N -2.44 -0.28 -0.08 -5.34 5.36 -1.26 -1.97 117.98 111.96 3mkq s PHE 398 Ca -0.05 0.69 -0.12 0.00 -0.96 0.00 0.00 56.93 56.49 3mkq s PHE 398 Cb -0.01 0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 3mkq s PHE 398 CO -0.01 -0.14 0.31 0.14 -1.46 0.00 0.00 175.22 174.05 3mkq s VAL 399 N 0.12 0.02 0.22 3.12 -7.23 -0.44 -4.99 120.40 111.23 3mkq s VAL 399 Ca -0.00 -0.19 -0.28 0.00 -1.81 0.00 0.00 61.98 59.70 3mkq s VAL 399 Cb -0.02 -0.50 -0.09 0.00 0.56 0.00 0.00 36.38 36.33 3mkq s VAL 399 CO 0.00 -0.10 0.89 0.26 -0.31 0.00 0.00 175.10 175.84 3mkq s TRP 400 N -0.40 3.94 0.60 2.82 0.52 -1.26 -1.45 118.94 123.71 3mkq s TRP 400 Ca -0.05 1.82 -0.14 0.00 0.02 0.00 0.00 56.10 57.75 3mkq s TRP 400 Cb -0.03 -2.91 -0.04 0.00 -1.15 0.00 0.00 33.47 29.34 3mkq s TRP 400 CO 0.02 0.46 1.03 0.20 0.02 0.00 0.00 176.95 178.67 3mkq s GLY 401 N -1.21 1.89 0.62 0.98 0.00 0.12 -4.42 107.32 105.30 3mkq s GLY 401 Ca 0.40 0.14 0.33 0.00 0.00 0.00 0.00 44.72 45.58 3mkq s GLY 401 CO 0.30 0.43 1.99 -2.55 0.00 0.00 0.00 173.10 173.26 3mkq h PRO 402 N 0.16 0.00 -0.79 2.90 0.11 -1.88 -2.46 132.00 130.03 3mkq h PRO 402 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3mkq h PRO 402 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3mkq h PRO 402 CO 0.60 0.00 0.51 0.22 -0.21 0.00 0.00 178.00 179.12 3mkq h ASP 403 N 0.00 0.92 0.00 -2.05 3.58 -1.89 -3.47 116.42 113.51 3mkq h ASP 403 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3mkq h ASP 403 Cb 0.42 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3mkq h ASP 403 CO 0.00 0.68 0.00 -1.20 -2.88 0.00 0.00 179.24 175.84 3mkq n SER 404 N -4.52 -1.93 -2.24 2.28 7.64 -0.93 -4.80 113.62 109.12 3mkq n SER 404 Ca 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.95 3mkq n SER 404 Cb 0.02 -0.32 0.05 0.00 -1.01 0.00 0.00 64.21 62.95 3mkq n SER 404 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3mkq n ASN 405 N 0.00 0.37 -3.45 6.43 4.05 -1.26 -4.90 115.26 116.50 3mkq n ASN 405 Ca 0.00 -2.06 -0.12 0.00 0.45 0.00 0.00 54.58 52.85 3mkq n ASN 405 Cb 0.00 -0.06 -0.02 0.00 1.23 0.00 0.00 39.78 40.93 3mkq n ASN 405 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3mkq s SER 406 N -2.38 -0.53 -0.06 1.20 1.04 -1.26 -0.66 113.70 111.06 3mkq s SER 406 Ca 0.21 0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 3mkq s SER 406 Cb 0.32 0.54 0.11 0.00 0.10 0.00 0.00 66.02 67.09 3mkq s SER 406 CO -0.09 -0.85 0.93 -0.72 0.98 0.00 0.00 173.24 173.50 3mkq s TYR 407 N -3.34 -0.35 0.15 5.02 -0.85 -0.37 -0.70 117.35 116.91 3mkq s TYR 407 Ca 0.01 0.33 0.11 0.00 -0.52 0.00 0.00 57.07 57.00 3mkq s TYR 407 Cb -0.01 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 3mkq s TYR 407 CO -0.10 -0.47 -0.26 0.00 -1.52 0.00 0.00 175.55 173.20 3mkq s ALA 408 N -2.54 2.45 0.25 9.51 0.00 -0.53 -0.60 121.76 130.30 3mkq s ALA 408 Ca 0.03 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.29 3mkq s ALA 408 Cb -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3mkq s ALA 408 CO -0.06 0.50 0.58 -0.48 0.00 0.00 0.00 175.76 176.30 3mkq s LEU 409 N -2.30 0.03 -0.27 0.00 2.34 -0.89 -1.33 118.68 116.26 3mkq s LEU 409 Ca 0.17 -0.69 -0.04 0.00 0.06 0.00 0.00 54.13 53.63 3mkq s LEU 409 Cb -0.09 2.23 0.02 0.00 -0.56 0.00 0.00 46.19 47.79 3mkq s LEU 409 CO 0.08 -1.20 0.00 -0.63 -1.06 0.00 0.00 176.35 173.54 3mkq s ILE 410 N -3.94 3.36 0.00 1.48 1.01 -0.83 -0.73 121.20 121.55 3mkq s ILE 410 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3mkq s ILE 410 Cb -0.03 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3mkq s ILE 410 CO 0.05 0.13 0.00 -0.90 0.00 0.00 0.00 174.94 174.22 3mkq n ASP 411 N 4.75 -0.80 0.02 3.58 5.68 0.39 0.12 116.55 130.30 3mkq n ASP 411 Ca -0.15 -0.51 0.13 0.00 -0.50 0.00 0.00 54.79 53.76 3mkq n ASP 411 Cb 0.47 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.01 3mkq n ASP 411 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3mkq n GLU 412 N -1.30 0.06 -0.10 0.11 0.00 -1.26 -2.80 120.64 115.35 3mkq n GLU 412 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 57.16 57.33 3mkq n GLU 412 Cb 0.00 -1.57 0.33 0.00 0.00 0.00 0.00 31.44 30.20 3mkq n GLU 412 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3mkq n THR 413 N -1.67 0.25 -0.71 3.84 -2.24 -1.26 -4.93 114.28 107.57 3mkq n THR 413 Ca 0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3mkq n THR 413 Cb 0.35 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3mkq n THR 413 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mkq n GLY 414 N 1.24 0.62 3.71 3.38 0.00 -1.12 -5.07 105.19 107.95 3mkq n GLY 414 Ca 0.17 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3mkq n GLY 414 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mkq s GLN 415 N -0.63 2.57 0.07 1.61 -0.21 -1.26 -4.69 119.66 117.12 3mkq s GLN 415 Ca 0.00 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.04 3mkq s GLN 415 Cb 0.00 -2.42 -0.06 0.00 1.00 0.00 0.00 33.01 31.53 3mkq s GLN 415 CO 0.00 0.44 0.77 0.42 -2.12 0.00 0.00 175.29 174.80 3mkq s ILE 416 N -1.87 4.67 0.06 1.08 1.01 -1.26 -0.46 121.20 124.43 3mkq s ILE 416 Ca 0.29 1.64 0.06 0.00 0.00 0.00 0.00 60.65 62.64 3mkq s ILE 416 Cb -0.09 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3mkq s ILE 416 CO 0.21 0.39 -0.16 -0.54 0.00 0.00 0.00 174.94 174.84 3mkq s LYS 417 N -0.25 1.01 -0.07 2.79 1.02 0.09 -4.82 119.74 119.52 3mkq s LYS 417 Ca 0.38 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.51 3mkq s LYS 417 Cb -0.21 -1.08 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 3mkq s LYS 417 CO 0.23 0.26 -0.16 -0.47 -0.92 0.00 0.00 175.35 174.30 3mkq s TYR 418 N -0.98 2.68 -0.02 3.18 6.04 -1.26 -2.09 117.35 124.90 3mkq s TYR 418 Ca 0.02 -0.34 0.06 0.00 0.04 0.00 0.00 57.07 56.85 3mkq s TYR 418 Cb -0.09 -1.67 -0.01 0.00 -1.04 0.00 0.00 41.96 39.15 3mkq s TYR 418 CO 0.02 0.04 -0.19 0.71 -1.54 0.00 0.00 175.55 174.59 3mkq s TYR 419 N -0.41 1.70 -0.07 4.97 2.02 0.23 0.26 117.35 126.04 3mkq s TYR 419 Ca 0.05 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3mkq s TYR 419 Cb -0.12 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 3mkq s TYR 419 CO 0.02 -0.04 -0.12 0.15 -1.57 0.00 0.00 175.55 173.99 3mkq s LYS 420 N -0.40 1.73 -1.49 -0.62 1.02 0.08 -1.24 119.74 118.84 3mkq s LYS 420 Ca 0.06 -0.41 -0.09 0.00 0.02 0.00 0.00 55.97 55.55 3mkq s LYS 420 Cb -0.08 -1.47 0.06 0.00 -0.52 0.00 0.00 37.83 35.82 3mkq s LYS 420 CO -0.00 -0.01 0.81 -1.71 -0.92 0.00 0.00 175.35 173.51 3mkq n ASN 421 N 3.97 -3.10 -1.84 2.83 4.05 0.17 -0.48 115.26 120.86 3mkq n ASN 421 Ca -0.21 -0.85 -0.19 0.00 0.45 0.00 0.00 54.58 53.78 3mkq n ASN 421 Cb 0.51 -3.66 -0.04 0.00 1.23 0.00 0.00 39.78 37.82 3mkq n ASN 421 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3mkq n PHE 422 N -4.51 -0.50 -4.15 1.20 3.01 -1.26 -4.98 117.46 106.28 3mkq n PHE 422 Ca -0.09 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.12 3mkq n PHE 422 Cb 0.58 -3.47 -0.17 0.00 -0.01 0.00 0.00 39.48 36.42 3mkq n PHE 422 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3mkq s LYS 423 N -4.34 1.48 0.36 -1.08 2.20 0.36 -5.05 119.74 113.68 3mkq s LYS 423 Ca 0.00 -0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 3mkq s LYS 423 Cb 0.00 -1.43 -0.12 0.00 -1.51 0.00 0.00 37.83 34.77 3mkq s LYS 423 CO 0.00 -0.16 1.25 -1.91 -0.36 0.00 0.00 175.35 174.17 3mkq n GLU 424 N 4.50 1.98 -3.21 4.03 2.13 -1.26 -0.74 120.64 128.07 3mkq n GLU 424 Ca -0.17 0.70 -0.38 0.00 0.66 0.00 0.00 57.16 57.97 3mkq n GLU 424 Cb 0.51 -2.29 -0.02 0.00 0.27 0.00 0.00 31.44 29.90 3mkq n GLU 424 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3mkq n VAL 425 N 0.14 4.24 -0.90 6.31 0.31 0.14 -4.82 118.33 123.75 3mkq n VAL 425 Ca 0.06 -5.62 -0.34 0.00 -0.01 0.00 0.00 64.34 58.43 3mkq n VAL 425 Cb 0.37 -2.15 0.11 0.00 -0.91 0.00 0.00 33.84 31.26 3mkq n VAL 425 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3mkq n THR 426 N 1.39 0.45 0.00 2.52 -2.24 -1.26 -1.52 114.28 113.61 3mkq n THR 426 Ca 0.26 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3mkq n THR 426 Cb 0.36 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3mkq n THR 426 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mkq n SER 427 N -1.26 0.00 -4.76 3.42 3.41 -1.26 -5.00 113.62 108.18 3mkq n SER 427 Ca 0.08 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.32 3mkq n SER 427 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3mkq n SER 427 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3mkq s TRP 428 N -1.86 3.53 0.15 7.33 -0.00 -0.58 -5.07 118.94 122.44 3mkq s TRP 428 Ca 0.00 0.72 -0.24 0.00 -0.00 0.00 0.00 56.10 56.58 3mkq s TRP 428 Cb 0.00 -2.34 0.07 0.00 -0.00 0.00 0.00 33.47 31.20 3mkq s TRP 428 CO 0.00 0.34 0.61 -1.54 -0.00 0.00 0.00 176.95 176.35 3mkq s SER 429 N 0.10 -0.58 -0.40 5.86 1.04 -1.26 -4.77 113.70 113.69 3mkq s SER 429 Ca 0.19 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.70 3mkq s SER 429 Cb -0.14 0.60 0.16 0.00 0.10 0.00 0.00 66.02 66.74 3mkq s SER 429 CO 0.07 -0.94 0.33 0.68 0.98 0.00 0.00 173.24 174.35 3mkq s VAL 430 N -3.57 0.20 0.16 5.02 -7.23 -1.26 -4.56 120.40 109.15 3mkq s VAL 430 Ca 0.00 -2.30 -0.31 0.00 -1.81 0.00 0.00 61.98 57.56 3mkq s VAL 430 Cb -0.01 -1.14 -0.11 0.00 0.56 0.00 0.00 36.38 35.68 3mkq s VAL 430 CO -0.11 -1.10 1.73 -2.84 -0.31 0.00 0.00 175.10 172.46 3mkq s PRO 431 N 0.37 4.15 -0.06 4.82 0.02 -1.26 -4.88 135.00 138.16 3mkq s PRO 431 Ca 0.29 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.89 3mkq s PRO 431 Cb -0.03 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 3mkq s PRO 431 CO -0.14 -0.76 -0.16 1.41 -0.33 0.00 0.00 177.00 177.02 3mkq s MET 432 N 1.87 2.62 0.17 5.54 1.75 -1.26 -5.03 119.30 124.97 3mkq s MET 432 Ca 0.76 -0.73 0.08 0.00 -1.25 0.00 0.00 55.69 54.55 3mkq s MET 432 Cb -0.47 -2.37 -0.02 0.00 2.84 0.00 0.00 34.83 34.81 3mkq s MET 432 CO 0.33 0.53 1.39 0.45 -0.65 0.00 0.00 175.02 177.07 3mkq h HIS 433 N 5.65 0.02 -1.43 4.11 3.86 -2.03 -3.47 115.15 121.86 3mkq h HIS 433 Ca -0.41 -0.01 -0.62 0.00 -1.16 0.00 0.00 60.37 58.17 3mkq h HIS 433 Cb 1.16 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 3mkq h HIS 433 CO 0.48 0.88 -0.53 -1.54 0.86 0.00 0.00 177.93 178.09 3mkq s SER 434 N -6.77 3.53 0.35 2.45 1.04 -1.26 -5.11 113.70 107.93 3mkq s SER 434 Ca 0.00 -1.62 -0.28 0.00 0.48 0.00 0.00 55.95 54.52 3mkq s SER 434 Cb 0.11 0.41 -0.11 0.00 0.10 0.00 0.00 66.02 66.53 3mkq s SER 434 CO 0.80 -0.84 1.44 0.00 0.98 0.00 0.00 173.24 175.62 3mkq s ALA 435 N -3.01 3.56 -0.10 5.32 0.00 -1.26 -4.95 121.76 121.33 3mkq s ALA 435 Ca 0.16 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.33 3mkq s ALA 435 Cb 0.03 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3mkq s ALA 435 CO 0.09 -0.92 0.87 0.42 0.00 0.00 0.00 175.76 176.22 3mkq s ILE 436 N -1.03 4.89 -0.15 0.00 -1.09 -1.26 -4.26 121.20 118.30 3mkq s ILE 436 Ca 0.52 1.76 -0.26 0.00 -2.23 0.00 0.00 60.65 60.45 3mkq s ILE 436 Cb -0.44 -4.19 -0.25 0.00 -1.58 0.00 0.00 42.46 36.00 3mkq s ILE 436 CO 0.59 0.09 0.62 0.44 -1.23 0.00 0.00 174.94 175.45 3mkq h ASP 437 N 7.06 0.05 -5.62 3.58 3.45 -0.39 -3.49 116.42 121.06 3mkq h ASP 437 Ca -0.34 -0.86 0.27 0.00 0.43 0.00 0.00 57.03 56.52 3mkq h ASP 437 Cb 1.16 -0.02 -0.09 0.00 -0.56 0.00 0.00 39.33 39.83 3mkq h ASP 437 CO 0.81 1.18 0.72 0.00 -1.57 0.00 0.00 179.24 180.38 3mkq s ARG 438 N -2.28 0.74 0.37 3.56 1.70 -1.23 -5.00 118.95 116.81 3mkq s ARG 438 Ca -0.21 -0.43 0.08 0.00 -0.47 0.00 0.00 55.73 54.69 3mkq s ARG 438 Cb -0.00 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 3mkq s ARG 438 CO 0.68 -0.34 0.15 -0.51 -1.08 0.00 0.00 175.30 174.20 3mkq s LEU 439 N -3.16 3.19 -0.00 -1.89 1.43 -1.26 -0.89 118.68 116.09 3mkq s LEU 439 Ca 0.17 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3mkq s LEU 439 Cb 0.01 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3mkq s LEU 439 CO -0.00 -0.39 -0.00 -0.36 0.23 0.00 0.00 176.35 175.83 3mkq s PHE 440 N -2.49 0.03 0.44 0.29 0.08 0.32 -4.91 117.98 111.72 3mkq s PHE 440 Ca 0.39 0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 3mkq s PHE 440 Cb -0.00 -0.03 0.09 0.00 -0.57 0.00 0.00 43.02 42.50 3mkq s PHE 440 CO 0.23 -0.01 0.60 -1.13 -0.10 0.00 0.00 175.22 174.81 3mkq n SER 441 N 3.15 0.70 0.00 1.36 3.41 -1.26 -0.69 113.62 120.29 3mkq n SER 441 Ca -0.13 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 3mkq n SER 441 Cb 0.59 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3mkq n SER 441 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mkq n GLY 442 N 0.51 0.70 0.26 5.00 0.00 -1.26 -4.70 105.19 105.70 3mkq n GLY 442 Ca 0.10 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 44.12 3mkq n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mkq h ALA 443 N 0.00 1.79 -2.82 4.61 0.00 -1.91 -3.39 119.26 117.53 3mkq h ALA 443 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 3mkq h ALA 443 Cb 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.54 3mkq h ALA 443 CO 0.00 0.17 -0.72 -0.51 0.00 0.00 0.00 179.25 178.19 3mkq s LEU 444 N -9.04 2.34 0.03 0.00 1.43 -1.26 -4.79 118.68 107.40 3mkq s LEU 444 Ca -0.06 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 3mkq s LEU 444 Cb 0.17 -0.09 -0.07 0.00 0.03 0.00 0.00 46.19 46.22 3mkq s LEU 444 CO 0.70 -0.31 1.63 -0.22 0.23 0.00 0.00 176.35 178.38 3mkq s LEU 445 N -2.08 4.35 -0.19 1.79 2.96 -0.12 -4.75 118.68 120.65 3mkq s LEU 445 Ca -0.03 2.39 -0.09 0.00 -0.22 0.00 0.00 54.13 56.18 3mkq s LEU 445 Cb -0.04 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 3mkq s LEU 445 CO -0.02 -0.88 0.10 -0.83 -1.32 0.00 0.00 176.35 173.40 3mkq s GLY 446 N 2.62 1.99 -0.09 7.98 0.00 0.13 -0.73 107.32 119.22 3mkq s GLY 446 Ca 0.73 -0.71 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 3mkq s GLY 446 CO 0.31 0.07 0.03 0.54 0.00 0.00 0.00 173.10 174.05 3mkq s VAL 447 N 0.26 0.25 0.01 1.40 0.11 0.38 0.12 120.40 122.93 3mkq s VAL 447 Ca 0.06 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 58.95 3mkq s VAL 447 Cb -0.12 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 3mkq s VAL 447 CO -0.01 0.12 0.66 -0.75 -3.33 0.00 0.00 175.10 171.78 3mkq s LYS 448 N 2.02 4.38 -0.20 1.54 2.20 -0.07 -0.86 119.74 128.75 3mkq s LYS 448 Ca 0.04 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.20 3mkq s LYS 448 Cb -0.13 -3.35 0.15 0.00 -1.51 0.00 0.00 37.83 32.98 3mkq s LYS 448 CO -0.06 0.33 1.13 0.45 -0.36 0.00 0.00 175.35 176.85 3mkq s SER 449 N -0.13 -0.24 -1.26 1.43 0.15 -0.57 0.44 113.70 113.51 3mkq s SER 449 Ca 0.34 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.22 3mkq s SER 449 Cb -0.19 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3mkq s SER 449 CO 0.19 -0.24 0.00 -0.67 1.20 0.00 0.00 173.24 173.72 3mkq n ASP 450 N 0.55 -3.56 0.00 5.45 4.64 -1.26 0.15 116.55 122.52 3mkq n ASP 450 Ca -0.06 0.27 0.00 0.00 -1.38 0.00 0.00 54.79 53.62 3mkq n ASP 450 Cb 0.58 -3.23 0.00 0.00 -1.04 0.00 0.00 41.12 37.43 3mkq n ASP 450 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3mkq n GLY 451 N -0.43 1.40 3.84 0.27 0.00 -1.26 -5.03 105.19 103.99 3mkq n GLY 451 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3mkq n GLY 451 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mkq s PHE 452 N -3.19 2.28 -0.17 1.61 0.40 0.12 -3.32 117.98 115.72 3mkq s PHE 452 Ca 0.00 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 3mkq s PHE 452 Cb 0.00 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.54 3mkq s PHE 452 CO 0.00 -0.15 -0.20 0.08 0.70 0.00 0.00 175.22 175.65 3mkq s VAL 453 N -2.62 2.01 -0.15 -0.44 1.01 -0.37 -1.52 120.40 118.32 3mkq s VAL 453 Ca 0.40 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3mkq s VAL 453 Cb -0.01 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3mkq s VAL 453 CO 0.24 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.59 3mkq s TYR 454 N 1.24 3.21 -0.14 5.22 1.51 -0.04 0.13 117.35 128.47 3mkq s TYR 454 Ca 0.03 0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 3mkq s TYR 454 Cb -0.13 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 3mkq s TYR 454 CO -0.11 0.22 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.45 3mkq s PHE 455 N 0.02 3.04 0.20 2.71 0.08 -0.57 -0.47 117.98 123.00 3mkq s PHE 455 Ca 0.04 -0.19 0.09 0.00 0.12 0.00 0.00 56.93 56.99 3mkq s PHE 455 Cb -0.12 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3mkq s PHE 455 CO 0.01 0.07 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.98 3mkq s PHE 456 N 0.10 1.83 -0.01 0.36 0.40 0.09 -0.92 117.98 119.82 3mkq s PHE 456 Ca -0.00 -0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 55.52 3mkq s PHE 456 Cb -0.13 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 3mkq s PHE 456 CO 0.03 0.40 1.08 0.34 0.70 0.00 0.00 175.22 177.77 3mkq s ASP 457 N -3.15 7.21 0.22 1.36 -1.08 -0.29 -0.95 116.67 120.00 3mkq s ASP 457 Ca 0.21 1.75 -0.09 0.00 -0.52 0.00 0.00 52.55 53.91 3mkq s ASP 457 Cb -0.03 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 39.05 3mkq s ASP 457 CO 0.08 -0.41 1.89 -0.50 0.52 0.00 0.00 175.17 176.76 3mkq h TRP 458 N 6.98 1.04 -0.04 -5.34 4.06 -1.91 0.33 115.95 121.07 3mkq h TRP 458 Ca -0.38 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.59 3mkq h TRP 458 Cb 1.19 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 29.00 3mkq h TRP 458 CO 0.69 0.66 0.02 -0.44 -3.56 0.00 0.00 178.44 175.81 3mkq h ASP 459 N 1.12 0.06 -0.00 -3.49 3.32 -1.99 -3.37 116.42 112.07 3mkq h ASP 459 Ca 0.30 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3mkq h ASP 459 Cb -0.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3mkq h ASP 459 CO -0.07 0.21 -0.04 -0.46 -1.72 0.00 0.00 179.24 177.16 3mkq n ASN 460 N -4.97 0.84 -1.16 6.45 0.23 -1.23 -5.01 115.26 110.41 3mkq n ASN 460 Ca -0.07 -0.92 -0.13 0.00 -0.53 0.00 0.00 54.58 52.93 3mkq n ASN 460 Cb 0.11 0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 38.12 3mkq n ASN 460 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mkq n GLY 461 N 0.47 0.78 3.75 4.83 0.00 0.12 -4.55 105.19 110.60 3mkq n GLY 461 Ca 0.01 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 3mkq n GLY 461 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mkq s THR 462 N -2.53 4.07 0.14 2.61 -4.23 -1.25 -4.61 115.64 109.84 3mkq s THR 462 Ca 0.00 2.05 -0.31 0.00 -1.18 0.00 0.00 61.69 62.25 3mkq s THR 462 Cb 0.00 -4.29 -0.09 0.00 1.34 0.00 0.00 72.50 69.45 3mkq s THR 462 CO 0.00 0.46 1.54 -0.22 -0.54 0.00 0.00 174.62 175.86 3mkq s LEU 463 N -1.27 4.37 -0.21 4.79 2.96 -1.26 -1.14 118.68 126.92 3mkq s LEU 463 Ca 0.42 2.54 0.07 0.00 -0.22 0.00 0.00 54.13 56.94 3mkq s LEU 463 Cb -0.25 -3.59 -0.17 0.00 0.50 0.00 0.00 46.19 42.67 3mkq s LEU 463 CO 0.31 -0.80 -0.11 0.52 -1.32 0.00 0.00 176.35 174.96 3mkq n VAL 464 N 4.05 1.28 -3.61 1.68 0.31 -0.10 -4.73 118.33 117.21 3mkq n VAL 464 Ca 0.14 -0.59 -0.07 0.00 -0.01 0.00 0.00 64.34 63.81 3mkq n VAL 464 Cb 0.39 -1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 3mkq n VAL 464 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3mkq s ARG 465 N -2.45 0.36 -0.13 5.55 3.00 -1.21 -0.57 118.95 123.49 3mkq s ARG 465 Ca -0.23 0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.60 3mkq s ARG 465 Cb 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 34.95 35.18 3mkq s ARG 465 CO 0.60 -0.11 -0.14 0.50 0.00 0.00 0.00 175.30 176.15 3mkq s ARG 466 N -1.03 3.33 -0.16 5.12 3.52 -0.48 -1.50 118.95 127.74 3mkq s ARG 466 Ca 0.03 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 3mkq s ARG 466 Cb -0.01 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 3mkq s ARG 466 CO -0.03 0.17 0.08 0.42 -0.81 0.00 0.00 175.30 175.14 3mkq s ILE 467 N 0.44 5.00 -0.34 4.11 -1.09 0.12 -4.96 121.20 124.48 3mkq s ILE 467 Ca -0.11 0.03 -0.02 0.00 -2.23 0.00 0.00 60.65 58.33 3mkq s ILE 467 Cb -0.16 -3.23 0.16 0.00 -1.58 0.00 0.00 42.46 37.66 3mkq s ILE 467 CO 0.05 0.51 2.25 0.47 -1.23 0.00 0.00 174.94 176.99 3mkq n ASP 468 N 3.02 6.44 -4.33 3.58 10.43 -1.26 -1.23 116.55 133.21 3mkq n ASP 468 Ca -0.17 -3.09 -0.27 0.00 2.57 0.00 0.00 54.79 53.83 3mkq n ASP 468 Cb 0.53 -1.11 -0.13 0.00 1.84 0.00 0.00 41.12 42.25 3mkq n ASP 468 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3mkq s VAL 469 N -2.20 1.96 -1.24 2.53 -7.23 -1.26 -4.98 120.40 107.97 3mkq s VAL 469 Ca 0.39 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.86 3mkq s VAL 469 Cb 0.28 -1.74 0.16 0.00 0.56 0.00 0.00 36.38 35.64 3mkq s VAL 469 CO -0.06 0.07 1.59 -3.20 -0.31 0.00 0.00 175.10 173.20 3mkq n ASN 470 N 1.19 5.13 -4.77 4.85 5.15 -1.21 -3.91 115.26 121.68 3mkq n ASN 470 Ca -0.18 -3.00 -0.41 0.00 -0.60 0.00 0.00 54.58 50.39 3mkq n ASN 470 Cb 0.53 -1.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.20 3mkq n ASN 470 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mkq s ALA 471 N 1.59 3.55 -0.10 5.20 0.00 -1.26 -0.94 121.76 129.79 3mkq s ALA 471 Ca 0.43 1.42 0.20 0.00 0.00 0.00 0.00 51.96 54.02 3mkq s ALA 471 Cb 0.01 -3.55 -0.30 0.00 0.00 0.00 0.00 23.12 19.28 3mkq s ALA 471 CO 0.01 -0.85 0.31 1.17 0.00 0.00 0.00 175.76 176.39 3mkq n LYS 472 N 0.75 0.67 -3.55 0.00 4.81 0.38 -4.71 118.16 116.50 3mkq n LYS 472 Ca 0.01 -0.12 -0.10 0.00 -0.87 0.00 0.00 58.31 57.24 3mkq n LYS 472 Cb 0.40 -1.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.89 3mkq n LYS 472 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3mkq s ASP 473 N -4.94 -0.36 -0.06 3.14 2.15 -1.17 -5.00 116.67 110.43 3mkq s ASP 473 Ca -0.09 0.24 0.03 0.00 0.43 0.00 0.00 52.55 53.16 3mkq s ASP 473 Cb 0.11 0.33 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 3mkq s ASP 473 CO 0.88 -0.45 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.59 3mkq s VAL 474 N -1.95 1.29 -0.23 1.11 1.01 -1.26 -0.89 120.40 119.46 3mkq s VAL 474 Ca 0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3mkq s VAL 474 Cb -0.01 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.31 3mkq s VAL 474 CO -0.03 0.38 0.06 -0.63 0.00 0.00 0.00 175.10 174.89 3mkq s ILE 475 N 0.40 0.56 0.28 2.22 1.01 -0.10 -4.82 121.20 120.75 3mkq s ILE 475 Ca -0.11 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 3mkq s ILE 475 Cb -0.14 -1.19 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 3mkq s ILE 475 CO 0.03 -0.38 0.77 0.26 0.00 0.00 0.00 174.94 175.63 3mkq s TRP 476 N 1.82 3.53 0.83 3.97 0.52 -1.26 -1.05 118.94 127.29 3mkq s TRP 476 Ca 0.03 1.39 -0.12 0.00 0.02 0.00 0.00 56.10 57.42 3mkq s TRP 476 Cb -0.17 -2.64 0.09 0.00 -1.15 0.00 0.00 33.47 29.60 3mkq s TRP 476 CO -0.15 0.20 1.11 -1.54 0.02 0.00 0.00 176.95 176.60 3mkq s SER 477 N -1.90 4.26 0.18 2.95 1.04 0.05 -4.72 113.70 115.56 3mkq s SER 477 Ca 0.49 1.15 -0.16 0.00 0.48 0.00 0.00 55.95 57.91 3mkq s SER 477 Cb -0.14 -1.82 0.14 0.00 0.10 0.00 0.00 66.02 64.30 3mkq s SER 477 CO 0.19 -2.10 1.65 -0.78 0.98 0.00 0.00 173.24 173.18 3mkq h ASP 478 N -1.18 -0.50 -0.17 7.02 3.58 -1.89 -1.53 116.42 121.74 3mkq h ASP 478 Ca -0.48 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.12 3mkq h ASP 478 Cb 1.29 0.32 0.00 0.00 1.72 0.00 0.00 39.33 42.66 3mkq h ASP 478 CO 0.61 -0.18 0.00 -0.46 -2.88 0.00 0.00 179.24 176.33 3mkq n ASN 479 N -5.36 1.03 -1.81 2.28 0.23 -1.26 -4.92 115.26 105.44 3mkq n ASN 479 Ca 0.04 -1.89 -0.18 0.00 -0.53 0.00 0.00 54.58 52.02 3mkq n ASN 479 Cb 0.27 -0.11 -0.03 0.00 -2.08 0.00 0.00 39.78 37.82 3mkq n ASN 479 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mkq n GLY 480 N 0.86 0.31 0.05 4.83 0.00 -0.58 -4.87 105.19 105.79 3mkq n GLY 480 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 3mkq n GLY 480 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mkq n GLU 481 N -2.64 1.41 -4.22 1.61 1.02 -1.26 -4.78 120.64 111.79 3mkq n GLU 481 Ca -0.20 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.60 3mkq n GLU 481 Cb 0.64 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 3mkq n GLU 481 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mkq s LEU 482 N -4.80 3.08 -0.16 -4.62 1.02 -1.26 0.23 118.68 112.16 3mkq s LEU 482 Ca -0.07 -0.37 -0.11 0.00 0.02 0.00 0.00 54.13 53.60 3mkq s LEU 482 Cb 0.05 -1.86 0.05 0.00 0.02 0.00 0.00 46.19 44.45 3mkq s LEU 482 CO 0.59 0.18 0.40 0.54 0.02 0.00 0.00 176.35 178.08 3mkq s VAL 483 N -1.23 -0.02 -0.19 -1.59 0.11 -0.78 -0.77 120.40 115.93 3mkq s VAL 483 Ca 0.22 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.25 3mkq s VAL 483 Cb -0.11 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3mkq s VAL 483 CO 0.14 0.03 0.09 -0.32 -3.33 0.00 0.00 175.10 171.71 3mkq s MET 484 N 1.00 4.04 -0.32 1.54 1.75 -0.22 -1.41 119.30 125.69 3mkq s MET 484 Ca -0.06 -0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 54.06 3mkq s MET 484 Cb -0.07 -3.30 0.06 0.00 2.84 0.00 0.00 34.83 34.36 3mkq s MET 484 CO -0.08 0.26 0.04 0.42 -0.65 0.00 0.00 175.02 175.00 3mkq s ILE 485 N 0.44 3.02 -0.28 10.11 1.01 0.12 -0.92 121.20 134.69 3mkq s ILE 485 Ca 0.05 -1.55 -0.29 0.00 0.00 0.00 0.00 60.65 58.86 3mkq s ILE 485 Cb -0.12 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3mkq s ILE 485 CO -0.00 -0.24 1.15 -0.69 0.00 0.00 0.00 174.94 175.16 3mkq s VAL 486 N 1.22 4.41 0.34 2.92 1.01 -0.07 -0.03 120.40 130.20 3mkq s VAL 486 Ca -0.02 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.34 3mkq s VAL 486 Cb -0.20 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 3mkq s VAL 486 CO -0.02 -0.39 1.10 0.21 0.00 0.00 0.00 175.10 176.00 3mkq s ASN 487 N 1.90 6.93 0.37 3.32 3.04 -0.23 0.14 114.94 130.42 3mkq s ASN 487 Ca 0.49 2.22 0.12 0.00 0.04 0.00 0.00 52.86 55.73 3mkq s ASN 487 Cb -0.15 -2.61 0.72 0.00 -1.54 0.00 0.00 41.25 37.67 3mkq s ASN 487 CO 0.16 -0.38 1.83 0.74 -3.04 0.00 0.00 177.10 176.41 3mkq h THR 488 N 2.64 1.26 -6.72 -5.21 2.02 -1.32 -3.41 112.91 102.15 3mkq h THR 488 Ca -0.48 -1.22 -0.41 0.00 0.77 0.00 0.00 66.41 65.08 3mkq h THR 488 Cb 1.22 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3mkq h THR 488 CO 0.64 0.35 -0.78 -3.20 0.37 0.00 0.00 175.52 172.90 3mkq n ASN 489 N -4.12 -3.23 0.00 4.18 5.15 -1.26 -4.79 115.26 111.18 3mkq n ASN 489 Ca -0.02 -0.85 0.04 0.00 -0.60 0.00 0.00 54.58 53.15 3mkq n ASN 489 Cb 0.39 -1.16 0.23 0.00 -0.53 0.00 0.00 39.78 38.71 3mkq n ASN 489 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3mkq n SER 490 N -1.54 0.00 -1.61 1.20 7.64 -1.26 -5.01 113.62 113.04 3mkq n SER 490 Ca -0.16 -1.52 -0.01 0.00 1.01 0.00 0.00 58.87 58.20 3mkq n SER 490 Cb 0.46 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.65 3mkq n SER 490 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3mkq n ASN 491 N -0.64 -3.78 0.00 6.43 3.02 -1.26 -5.31 115.26 113.73 3mkq n ASN 491 Ca 0.06 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 3mkq n ASN 491 Cb 0.03 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 3mkq n ASN 491 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3mkq n GLU 494 N 0.66 0.00 -1.61 3.52 0.28 -1.26 -5.24 120.64 116.98 3mkq n GLU 494 Ca -0.05 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.49 3mkq n GLU 494 Cb 0.07 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.91 3mkq n GLU 494 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mkq n ALA 495 N 0.61 -0.02 0.21 -1.84 0.00 -1.26 -4.90 120.51 113.31 3mkq n ALA 495 Ca 0.00 0.43 0.11 0.00 0.00 0.00 0.00 53.44 53.98 3mkq n ALA 495 Cb 0.00 -2.11 0.23 0.00 0.00 0.00 0.00 19.45 17.57 3mkq n ALA 495 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mkq h SER 496 N 3.40 0.00 -4.81 0.00 4.64 -1.41 -3.42 113.55 111.95 3mkq h SER 496 Ca -0.43 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3mkq h SER 496 Cb 1.32 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.25 3mkq h SER 496 CO 0.70 0.12 0.31 -0.83 -0.87 0.00 0.00 176.83 176.27 3mkq s GLY 497 N -4.26 -0.53 -0.05 -0.77 0.00 -1.25 -1.06 107.32 99.39 3mkq s GLY 497 Ca 0.05 1.03 0.03 0.00 0.00 0.00 0.00 44.72 45.83 3mkq s GLY 497 CO 0.67 0.52 -0.15 -0.19 0.00 0.00 0.00 173.10 173.95 3mkq s TYR 498 N -2.59 1.62 -0.24 1.90 1.51 0.95 -1.24 117.35 119.27 3mkq s TYR 498 Ca -0.02 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.40 3mkq s TYR 498 Cb -0.01 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 3mkq s TYR 498 CO -0.04 -0.22 0.17 0.99 -1.11 0.00 0.00 175.55 175.34 3mkq s THR 499 N 0.31 5.35 0.04 -0.71 2.01 -0.61 0.10 115.64 122.13 3mkq s THR 499 Ca -0.09 0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3mkq s THR 499 Cb -0.13 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3mkq s THR 499 CO 0.03 0.34 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.42 3mkq s LEU 500 N 1.04 2.17 -0.08 4.42 1.43 -0.50 -0.46 118.68 126.70 3mkq s LEU 500 Ca 0.08 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3mkq s LEU 500 Cb -0.13 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 3mkq s LEU 500 CO 0.04 -0.01 0.18 -0.22 0.23 0.00 0.00 176.35 176.58 3mkq s LEU 501 N -1.13 4.39 -0.26 1.79 2.96 0.26 -1.86 118.68 124.83 3mkq s LEU 501 Ca -0.00 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3mkq s LEU 501 Cb -0.08 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.39 3mkq s LEU 501 CO 0.01 0.37 -0.01 0.12 -1.32 0.00 0.00 176.35 175.52 3mkq s PHE 502 N -1.10 3.10 -0.89 5.38 5.36 0.13 -1.93 117.98 128.03 3mkq s PHE 502 Ca 0.19 -1.34 -0.15 0.00 -0.96 0.00 0.00 56.93 54.66 3mkq s PHE 502 Cb -0.13 -2.13 0.20 0.00 -0.34 0.00 0.00 43.02 40.62 3mkq s PHE 502 CO 0.08 -0.67 0.91 1.21 -1.46 0.00 0.00 175.22 175.29 3mkq s ASN 503 N 1.39 6.77 0.54 6.13 3.04 -0.06 -4.76 114.94 128.00 3mkq s ASN 503 Ca 0.01 -2.57 0.23 0.00 0.04 0.00 0.00 52.86 50.57 3mkq s ASN 503 Cb -0.17 -2.27 1.42 0.00 -1.54 0.00 0.00 41.25 38.69 3mkq s ASN 503 CO -0.02 -0.70 2.06 0.50 -3.04 0.00 0.00 177.10 175.90 3mkq h LYS 504 N 8.00 0.00 -0.25 0.43 3.64 -1.94 -1.89 116.57 124.55 3mkq h LYS 504 Ca 0.13 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 3mkq h LYS 504 Cb 1.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3mkq h LYS 504 CO 0.88 0.00 -0.55 -0.44 -2.27 0.00 0.00 179.45 177.08 3mkq h ASP 505 N 0.00 0.92 -0.33 4.20 5.19 -1.96 -1.53 116.42 122.91 3mkq h ASP 505 Ca 0.14 -0.55 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 3mkq h ASP 505 Cb 0.60 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 3mkq h ASP 505 CO -0.00 1.30 0.16 0.00 -3.12 0.00 0.00 179.24 177.58 3mkq h ALA 506 N 0.64 1.59 -0.04 3.45 0.00 -1.66 -0.94 119.26 122.30 3mkq h ALA 506 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 3mkq h ALA 506 Cb 1.16 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3mkq h ALA 506 CO 0.12 0.33 -0.76 -0.92 0.00 0.00 0.00 179.25 178.02 3mkq h TYR 507 N 0.52 0.84 -0.53 0.00 3.20 -1.40 -2.50 116.97 117.10 3mkq h TYR 507 Ca 0.13 -0.43 -0.06 0.00 3.14 0.00 0.00 58.73 61.52 3mkq h TYR 507 Cb 0.09 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3mkq h TYR 507 CO 0.00 1.25 0.10 -0.07 -1.64 0.00 0.00 178.16 177.81 3mkq h LEU 508 N 0.19 0.77 0.52 2.82 3.38 -0.93 0.25 115.31 122.30 3mkq h LEU 508 Ca -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3mkq h LEU 508 Cb 1.43 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.98 3mkq h LEU 508 CO 0.15 0.77 -0.25 -0.08 0.09 0.00 0.00 178.44 179.12 3mkq h GLU 509 N 0.79 -0.68 -0.97 1.13 4.57 -1.22 -1.59 114.58 116.61 3mkq h GLU 509 Ca 0.17 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.49 3mkq h GLU 509 Cb 0.33 0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.00 3mkq h GLU 509 CO 0.00 -0.38 0.61 0.00 -1.18 0.00 0.00 179.01 178.06 3mkq h ALA 510 N -0.59 1.40 -0.33 2.92 0.00 -1.32 0.13 119.26 121.47 3mkq h ALA 510 Ca -0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3mkq h ALA 510 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3mkq h ALA 510 CO 0.12 0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.69 3mkq h ALA 511 N 1.49 1.45 -0.09 0.00 0.00 -0.84 -1.75 119.26 119.51 3mkq h ALA 511 Ca 0.45 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3mkq h ALA 511 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3mkq h ALA 511 CO -0.22 0.40 -0.51 -0.97 0.00 0.00 0.00 179.25 177.94 3mkq h ASN 512 N 0.48 0.27 1.17 0.00 -0.00 0.21 -2.96 115.58 114.76 3mkq h ASN 512 Ca 0.11 -0.13 -0.07 0.00 -0.00 0.00 0.00 56.30 56.20 3mkq h ASN 512 Cb 0.26 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.49 3mkq h ASN 512 CO 0.00 0.74 -0.33 0.78 -0.00 0.00 0.00 177.43 178.62 3mkq h ASN 513 N 0.20 0.00 0.00 1.15 2.35 -0.29 -3.47 115.58 115.52 3mkq h ASN 513 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3mkq h ASN 513 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3mkq h ASN 513 CO 0.08 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 3mkq n GLY 514 N 0.60 0.48 0.17 2.83 0.00 -0.80 -4.94 105.19 103.52 3mkq n GLY 514 Ca 0.01 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.73 3mkq n GLY 514 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mkq n ASN 515 N 0.78 0.80 -4.66 1.61 5.03 -1.21 -4.99 115.26 112.61 3mkq n ASN 515 Ca 0.00 -0.67 -0.46 0.00 0.87 0.00 0.00 54.58 54.31 3mkq n ASN 515 Cb 0.00 0.10 -0.04 0.00 -1.02 0.00 0.00 39.78 38.82 3mkq n ASN 515 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3mkq n ILE 516 N -0.89 0.02 -2.57 2.41 5.41 -1.26 -4.94 119.36 117.53 3mkq n ILE 516 Ca 0.11 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.44 3mkq n ILE 516 Cb 0.33 -1.49 -0.03 0.00 -0.71 0.00 0.00 39.64 37.74 3mkq n ILE 516 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3mkq s ASP 517 N 0.97 7.26 0.46 4.38 2.15 -1.25 -4.95 116.67 125.69 3mkq s ASP 517 Ca 0.80 1.89 0.30 0.00 0.43 0.00 0.00 52.55 55.97 3mkq s ASP 517 Cb -0.70 -2.58 1.21 0.00 -0.30 0.00 0.00 42.92 40.55 3mkq s ASP 517 CO 0.39 -0.30 1.89 0.44 -0.17 0.00 0.00 175.17 177.42 3mkq h ASP 518 N 6.29 0.00 0.23 -0.34 3.32 -1.92 0.75 116.42 124.75 3mkq h ASP 518 Ca -0.42 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.29 3mkq h ASP 518 Cb 1.22 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 3mkq h ASP 518 CO 0.76 0.00 -2.05 -1.20 -1.72 0.00 0.00 179.24 175.03 3mkq n SER 519 N -2.84 0.81 0.00 6.45 7.64 -1.26 -4.68 113.62 119.74 3mkq n SER 519 Ca 0.01 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3mkq n SER 519 Cb 0.30 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3mkq n SER 519 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mkq n GLU 520 N -3.01 1.67 0.00 1.43 1.02 -1.24 -4.74 120.64 115.76 3mkq n GLU 520 Ca -0.27 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3mkq n GLU 520 Cb 1.08 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 3mkq n GLU 520 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mkq n GLY 521 N 0.27 0.27 3.57 0.62 0.00 0.26 -1.39 105.19 108.79 3mkq n GLY 521 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3mkq n GLY 521 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mkq s VAL 522 N 0.00 4.89 0.26 1.61 1.01 0.26 -3.90 120.40 124.53 3mkq s VAL 522 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 3mkq s VAL 522 Cb 0.00 -4.08 0.22 0.00 0.00 0.00 0.00 36.38 32.52 3mkq s VAL 522 CO 0.00 -0.31 1.88 -0.78 0.00 0.00 0.00 175.10 175.89 3mkq h ASP 523 N 8.46 1.04 0.94 3.32 1.82 -1.86 -2.43 116.42 127.71 3mkq h ASP 523 Ca -0.26 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 3mkq h ASP 523 Cb 1.11 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.85 3mkq h ASP 523 CO 0.84 0.83 0.00 -0.62 -1.61 0.00 0.00 179.24 178.68 3mkq n GLU 524 N -4.34 0.05 0.24 0.28 4.71 -1.26 -3.41 120.64 116.91 3mkq n GLU 524 Ca 0.09 0.12 0.08 0.00 -0.01 0.00 0.00 57.16 57.44 3mkq n GLU 524 Cb 0.09 -1.57 0.60 0.00 -1.01 0.00 0.00 31.44 29.55 3mkq n GLU 524 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mkq h ALA 525 N 2.76 1.66 -2.30 0.62 0.00 -1.71 -3.43 119.26 116.87 3mkq h ALA 525 Ca 0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 3mkq h ALA 525 Cb 0.47 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 3mkq h ALA 525 CO 0.00 0.16 -0.72 -0.06 0.00 0.00 0.00 179.25 178.63 3mkq s PHE 526 N -4.63 1.31 -0.01 0.00 0.40 -1.22 -0.88 117.98 112.95 3mkq s PHE 526 Ca -0.04 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 3mkq s PHE 526 Cb 0.15 -0.66 0.02 0.00 0.51 0.00 0.00 43.02 43.04 3mkq s PHE 526 CO 0.66 0.11 0.01 -0.51 0.70 0.00 0.00 175.22 176.19 3mkq s ASP 527 N -3.10 0.13 -0.36 1.36 1.01 -0.81 -4.96 116.67 109.94 3mkq s ASP 527 Ca 0.16 0.01 -0.24 0.00 0.71 0.00 0.00 52.55 53.19 3mkq s ASP 527 Cb 0.01 -0.07 0.01 0.00 1.01 0.00 0.00 42.92 43.88 3mkq s ASP 527 CO 0.01 -0.08 0.82 0.68 0.21 0.00 0.00 175.17 176.82 3mkq s VAL 528 N 0.68 4.70 0.00 -1.27 -7.23 -1.26 -0.58 120.40 115.44 3mkq s VAL 528 Ca -0.06 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 3mkq s VAL 528 Cb -0.09 -4.23 0.00 0.00 0.56 0.00 0.00 36.38 32.62 3mkq s VAL 528 CO -0.02 -0.44 0.00 0.18 -0.31 0.00 0.00 175.10 174.52 3mkq n LEU 529 N 6.48 1.19 0.00 1.32 7.99 0.39 -4.98 117.00 129.39 3mkq n LEU 529 Ca 0.04 0.24 -0.10 0.00 -0.01 0.00 0.00 56.01 56.18 3mkq n LEU 529 Cb 0.48 -0.28 -0.04 0.00 -0.11 0.00 0.00 43.42 43.48 3mkq n LEU 529 CO 0.54 -0.28 -0.06 -1.22 -1.51 0.00 0.00 177.39 174.87 3mkq n TYR 530 N -1.41 -0.20 -3.76 -1.77 4.02 -1.22 -5.01 117.16 107.81 3mkq n TYR 530 Ca 0.00 -1.28 -0.12 0.00 -0.01 0.00 0.00 57.90 56.48 3mkq n TYR 530 Cb 0.00 0.08 -0.12 0.00 -0.02 0.00 0.00 39.34 39.28 3mkq n TYR 530 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3mkq s GLU 531 N -2.67 0.27 0.53 -0.72 -1.05 -1.26 -1.58 118.70 112.22 3mkq s GLU 531 Ca 0.15 0.44 -0.06 0.00 -0.15 0.00 0.00 54.97 55.35 3mkq s GLU 531 Cb 0.01 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.72 3mkq s GLU 531 CO 0.11 -0.09 0.85 -0.51 0.95 0.00 0.00 175.26 176.57 3mkq s LEU 532 N 0.59 3.48 -0.15 1.83 1.02 -0.37 -4.95 118.68 120.13 3mkq s LEU 532 Ca -0.04 0.96 -0.02 0.00 0.02 0.00 0.00 54.13 55.06 3mkq s LEU 532 Cb -0.05 -3.90 -0.08 0.00 0.02 0.00 0.00 46.19 42.17 3mkq s LEU 532 CO -0.03 -0.73 -0.15 -1.20 0.02 0.00 0.00 176.35 174.25 3mkq n SER 533 N -2.41 2.31 -4.77 2.29 7.64 -1.26 -1.34 113.62 116.08 3mkq n SER 533 Ca 0.02 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 3mkq n SER 533 Cb 0.55 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 3mkq n SER 533 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3mkq s GLU 534 N -2.29 3.59 0.58 1.43 2.02 -1.26 -4.39 118.70 118.39 3mkq s GLU 534 Ca -0.20 1.68 -0.20 0.00 0.02 0.00 0.00 54.97 56.27 3mkq s GLU 534 Cb 0.06 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 3mkq s GLU 534 CO 0.31 -0.67 1.27 -1.54 0.02 0.00 0.00 175.26 174.65 3mkq s SER 535 N -1.57 5.16 -0.23 -0.19 1.04 -1.26 -4.72 113.70 111.92 3mkq s SER 535 Ca 0.68 2.54 0.02 0.00 0.48 0.00 0.00 55.95 59.67 3mkq s SER 535 Cb -0.26 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.30 3mkq s SER 535 CO 0.30 -1.63 -0.13 -0.63 0.98 0.00 0.00 173.24 172.14 3mkq s ILE 536 N -1.46 2.07 -0.12 -1.02 1.01 -1.26 -4.18 121.20 116.24 3mkq s ILE 536 Ca 0.76 -1.40 0.18 0.00 0.00 0.00 0.00 60.65 60.18 3mkq s ILE 536 Cb -0.35 -2.11 -0.21 0.00 0.01 0.00 0.00 42.46 39.80 3mkq s ILE 536 CO 0.39 0.12 0.54 0.41 0.00 0.00 0.00 174.94 176.39 3mkq n THR 537 N 4.51 1.09 -3.60 2.92 -1.04 0.54 -4.93 114.28 113.77 3mkq n THR 537 Ca -0.16 -0.72 -0.05 0.00 -2.04 0.00 0.00 64.05 61.09 3mkq n THR 537 Cb 0.44 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.36 3mkq n THR 537 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3mkq s SER 538 N -5.52 -0.16 0.02 8.00 1.04 -1.24 -4.94 113.70 110.90 3mkq s SER 538 Ca -0.06 0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 3mkq s SER 538 Cb 0.09 0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.45 3mkq s SER 538 CO 0.83 -0.22 0.88 -0.83 0.98 0.00 0.00 173.24 174.88 3mkq s GLY 539 N -1.72 -0.45 0.01 7.32 0.00 -1.26 -0.56 107.32 110.66 3mkq s GLY 539 Ca 0.07 0.89 -0.07 0.00 0.00 0.00 0.00 44.72 45.61 3mkq s GLY 539 CO -0.05 0.29 0.14 0.54 0.00 0.00 0.00 173.10 174.03 3mkq s LYS 540 N -3.18 0.52 0.09 2.90 -0.14 -0.51 -4.99 119.74 114.43 3mkq s LYS 540 Ca 0.05 -0.47 -0.10 0.00 -1.36 0.00 0.00 55.97 54.10 3mkq s LYS 540 Cb -0.01 0.22 -0.06 0.00 -1.68 0.00 0.00 37.83 36.30 3mkq s LYS 540 CO -0.08 -0.13 0.41 -1.58 -0.76 0.00 0.00 175.35 173.20 3mkq s TRP 541 N -1.67 3.57 -0.50 3.18 0.52 -1.26 -1.40 118.94 121.38 3mkq s TRP 541 Ca -0.13 0.78 0.06 0.00 0.02 0.00 0.00 56.10 56.84 3mkq s TRP 541 Cb -0.06 -2.16 0.21 0.00 -1.15 0.00 0.00 33.47 30.31 3mkq s TRP 541 CO 0.00 0.51 0.50 0.28 0.02 0.00 0.00 176.95 178.26 3mkq n VAL 542 N 0.84 0.12 -2.96 4.03 0.31 0.18 -4.74 118.33 116.11 3mkq n VAL 542 Ca -0.07 -4.20 -0.10 0.00 -0.01 0.00 0.00 64.34 59.96 3mkq n VAL 542 Cb 0.52 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 3mkq n VAL 542 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mkq n GLY 543 N 1.89 -1.17 4.14 2.92 0.00 -1.26 -3.35 105.19 108.36 3mkq n GLY 543 Ca 0.25 1.14 0.00 0.00 0.00 0.00 0.00 46.02 47.42 3mkq n GLY 543 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mkq n ASP 544 N -0.52 0.00 -4.46 1.61 10.43 -1.26 -4.95 116.55 117.39 3mkq n ASP 544 Ca 0.08 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.08 3mkq n ASP 544 Cb 0.49 -0.25 -0.12 0.00 1.84 0.00 0.00 41.12 43.08 3mkq n ASP 544 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3mkq s VAL 545 N -1.14 4.16 -0.35 2.53 0.11 -1.21 -4.75 120.40 119.75 3mkq s VAL 545 Ca 0.00 -0.23 -0.20 0.00 -2.93 0.00 0.00 61.98 58.62 3mkq s VAL 545 Cb 0.00 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 3mkq s VAL 545 CO 0.00 0.39 0.61 0.12 -3.33 0.00 0.00 175.10 172.89 3mkq s PHE 546 N 1.23 3.16 -0.03 1.54 2.19 -0.17 -0.64 117.98 125.25 3mkq s PHE 546 Ca 0.04 0.31 -0.10 0.00 0.33 0.00 0.00 56.93 57.52 3mkq s PHE 546 Cb -0.15 -3.10 -0.05 0.00 -1.31 0.00 0.00 43.02 38.42 3mkq s PHE 546 CO 0.02 -0.61 0.28 0.42 1.83 0.00 0.00 175.22 177.16 3mkq s ILE 547 N 2.65 5.27 0.18 3.12 1.01 -0.49 0.12 121.20 133.05 3mkq s ILE 547 Ca 0.23 0.42 -0.21 0.00 0.00 0.00 0.00 60.65 61.10 3mkq s ILE 547 Cb -0.15 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.81 3mkq s ILE 547 CO 0.14 0.51 0.58 0.72 0.00 0.00 0.00 174.94 176.90 3mkq s PHE 548 N -1.15 -0.37 0.05 3.97 -0.12 0.22 -1.43 117.98 119.16 3mkq s PHE 548 Ca 0.22 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.21 3mkq s PHE 548 Cb -0.14 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 3mkq s PHE 548 CO 0.11 -0.91 0.09 0.95 -0.05 0.00 0.00 175.22 175.42 3mkq s THR 549 N -3.81 4.66 0.33 -4.49 -4.23 0.28 -0.89 115.64 107.50 3mkq s THR 549 Ca 0.04 -0.63 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 3mkq s THR 549 Cb -0.01 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 3mkq s THR 549 CO -0.08 0.19 0.15 0.28 -0.54 0.00 0.00 174.62 174.62 3mkq s THR 550 N -1.35 3.20 -0.22 3.99 -1.32 -0.08 -0.34 115.64 119.53 3mkq s THR 550 Ca 0.28 -1.65 0.27 0.00 -1.21 0.00 0.00 61.69 59.38 3mkq s THR 550 Cb -0.12 -3.02 0.29 0.00 -1.51 0.00 0.00 72.50 68.14 3mkq s THR 550 CO 0.20 -0.20 1.81 0.00 -2.21 0.00 0.00 174.62 174.22 3mkq h ALA 551 N 1.53 1.00 -0.57 11.08 0.00 -1.90 -1.79 119.26 128.60 3mkq h ALA 551 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mkq h ALA 551 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mkq h ALA 551 CO 0.62 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.12 3mkq n THR 552 N -2.50 0.94 -1.23 0.00 -2.24 -1.26 -4.93 114.28 103.06 3mkq n THR 552 Ca 0.01 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 60.93 3mkq n THR 552 Cb 0.21 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3mkq n THR 552 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mkq n ASN 553 N 1.14 -3.21 -4.92 3.42 4.13 -0.67 -4.88 115.26 110.27 3mkq n ASN 553 Ca 0.20 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.23 3mkq n ASN 553 Cb 0.55 -1.24 -0.04 0.00 -1.54 0.00 0.00 39.78 37.52 3mkq n ASN 553 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3mkq s ARG 554 N -2.55 3.49 -0.39 3.52 0.52 -1.26 -0.61 118.95 121.68 3mkq s ARG 554 Ca 0.00 -0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 54.80 3mkq s ARG 554 Cb 0.00 -2.97 0.08 0.00 0.52 0.00 0.00 34.95 32.59 3mkq s ARG 554 CO 0.00 0.55 0.20 -1.17 0.02 0.00 0.00 175.30 174.90 3mkq s LEU 555 N -2.65 4.97 0.50 2.53 2.96 0.15 -0.90 118.68 126.24 3mkq s LEU 555 Ca 0.37 -1.64 0.02 0.00 -0.22 0.00 0.00 54.13 52.66 3mkq s LEU 555 Cb -0.12 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3mkq s LEU 555 CO 0.27 -0.49 0.03 0.20 -1.32 0.00 0.00 176.35 175.04 3mkq s ASN 556 N 1.88 4.14 -0.04 3.68 0.02 -0.07 0.47 114.94 125.02 3mkq s ASN 556 Ca 0.03 -1.59 -0.07 0.00 -1.02 0.00 0.00 52.86 50.21 3mkq s ASN 556 Cb -0.22 0.41 0.01 0.00 0.02 0.00 0.00 41.25 41.47 3mkq s ASN 556 CO -0.01 -0.82 0.17 -0.72 0.02 0.00 0.00 177.10 175.75 3mkq s TYR 557 N -2.85 -0.11 -0.09 2.20 -0.85 0.01 -0.61 117.35 115.05 3mkq s TYR 557 Ca 0.11 0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.93 3mkq s TYR 557 Cb 0.02 0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 3mkq s TYR 557 CO 0.06 -0.18 -0.18 0.12 -1.52 0.00 0.00 175.55 173.84 3mkq s PHE 558 N -0.54 2.64 -0.22 -3.49 5.36 0.32 -0.67 117.98 121.39 3mkq s PHE 558 Ca -0.06 -0.63 -0.19 0.00 -0.96 0.00 0.00 56.93 55.08 3mkq s PHE 558 Cb -0.04 -1.71 0.06 0.00 -0.34 0.00 0.00 43.02 40.99 3mkq s PHE 558 CO 0.01 -0.17 0.57 0.54 -1.46 0.00 0.00 175.22 174.71 3mkq s VAL 559 N -0.01 -0.00 -1.61 3.12 0.11 0.25 -1.00 120.40 121.26 3mkq s VAL 559 Ca -0.06 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.82 3mkq s VAL 559 Cb -0.15 -0.80 0.16 0.00 -1.53 0.00 0.00 36.38 34.07 3mkq s VAL 559 CO 0.05 0.00 0.67 0.61 -3.33 0.00 0.00 175.10 173.10 3mkq n GLY 560 N 2.93 -0.45 2.85 6.54 0.00 -1.26 0.92 105.19 116.73 3mkq n GLY 560 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mkq n GLY 560 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mkq n GLY 561 N -1.24 1.06 3.82 -0.02 0.00 -1.26 -5.02 105.19 102.53 3mkq n GLY 561 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3mkq n GLY 561 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mkq s LYS 562 N -0.05 3.04 -0.12 1.61 -0.14 0.26 -5.00 119.74 119.34 3mkq s LYS 562 Ca 0.00 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 53.98 3mkq s LYS 562 Cb 0.00 -2.80 0.02 0.00 -1.68 0.00 0.00 37.83 33.36 3mkq s LYS 562 CO 0.00 0.57 -0.15 0.99 -0.76 0.00 0.00 175.35 176.00 3mkq s THR 563 N -1.47 1.53 0.01 2.17 2.01 -1.26 -0.58 115.64 118.05 3mkq s THR 563 Ca 0.31 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.75 3mkq s THR 563 Cb -0.12 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3mkq s THR 563 CO 0.24 0.45 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.06 3mkq s TYR 564 N 1.13 2.39 0.09 4.92 1.51 0.15 -4.96 117.35 122.57 3mkq s TYR 564 Ca -0.03 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.43 3mkq s TYR 564 Cb -0.14 -1.46 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 3mkq s TYR 564 CO -0.04 0.09 0.64 1.21 -1.11 0.00 0.00 175.55 176.34 3mkq s ASN 565 N -0.99 7.15 -0.15 2.29 3.04 -1.26 -0.81 114.94 124.21 3mkq s ASN 565 Ca 0.11 1.37 -0.02 0.00 0.04 0.00 0.00 52.86 54.36 3mkq s ASN 565 Cb -0.10 -2.41 -0.09 0.00 -1.54 0.00 0.00 41.25 37.12 3mkq s ASN 565 CO 0.01 0.22 -0.15 -0.11 -3.04 0.00 0.00 177.10 174.03 3mkq n LEU 566 N 1.89 2.38 0.00 3.21 7.94 0.18 -4.94 117.00 127.66 3mkq n LEU 566 Ca -0.08 0.01 -0.01 0.00 -1.11 0.00 0.00 56.01 54.82 3mkq n LEU 566 Cb 0.50 -0.50 0.01 0.00 0.53 0.00 0.00 43.42 43.96 3mkq n LEU 566 CO 0.43 0.61 0.42 0.00 -1.11 0.00 0.00 177.39 177.74 3mkq n ALA 567 N -3.18 -1.38 -3.45 1.96 0.00 -0.56 -4.98 120.51 108.92 3mkq n ALA 567 Ca -0.28 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 3mkq n ALA 567 Cb 0.76 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.35 3mkq n ALA 567 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3mkq s HIS 568 N -3.78 -0.57 0.41 0.00 -3.43 -1.26 0.34 115.29 107.00 3mkq s HIS 568 Ca 0.12 1.30 0.07 0.00 -0.80 0.00 0.00 55.06 55.74 3mkq s HIS 568 Cb -0.01 0.23 -0.08 0.00 -1.43 0.00 0.00 32.58 31.29 3mkq s HIS 568 CO 0.02 -0.36 0.01 0.71 -2.00 0.00 0.00 174.74 173.12 3mkq s TYR 569 N -0.14 2.45 -0.66 0.38 1.51 0.22 -4.98 117.35 116.14 3mkq s TYR 569 Ca -0.03 -0.70 0.16 0.00 -1.01 0.00 0.00 57.07 55.48 3mkq s TYR 569 Cb -0.03 -1.74 0.73 0.00 -0.11 0.00 0.00 41.96 40.81 3mkq s TYR 569 CO 0.03 0.41 1.65 0.25 -1.11 0.00 0.00 175.55 176.78 3mkq n THR 570 N -0.96 2.25 -3.86 -0.71 -2.24 -1.26 -4.78 114.28 102.73 3mkq n THR 570 Ca -0.05 -1.35 -0.11 0.00 -2.27 0.00 0.00 64.05 60.26 3mkq n THR 570 Cb 0.67 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 3mkq n THR 570 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mkq s LYS 571 N -2.31 0.54 -0.13 -0.78 1.02 -1.26 -5.11 119.74 111.71 3mkq s LYS 571 Ca 0.51 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 3mkq s LYS 571 Cb 0.36 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.84 3mkq s LYS 571 CO 0.19 -0.14 1.96 -1.21 -0.92 0.00 0.00 175.35 175.23 3mkq s GLU 572 N -1.58 3.67 0.08 1.68 2.02 -1.26 -4.89 118.70 118.42 3mkq s GLU 572 Ca -0.13 2.13 0.02 0.00 0.02 0.00 0.00 54.97 57.01 3mkq s GLU 572 Cb -0.06 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 3mkq s GLU 572 CO 0.01 -1.48 0.11 -1.64 0.02 0.00 0.00 175.26 172.29 3mkq s MET 573 N 5.22 3.01 -0.09 1.61 -1.94 -1.26 -4.07 119.30 121.77 3mkq s MET 573 Ca 0.88 -0.64 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 3mkq s MET 573 Cb -0.34 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 33.73 3mkq s MET 573 CO 0.36 0.57 -0.10 0.71 -0.01 0.00 0.00 175.02 176.55 3mkq s TYR 574 N -1.44 1.49 0.21 -0.03 2.02 0.23 -4.88 117.35 114.96 3mkq s TYR 574 Ca 0.31 -0.67 -0.32 0.00 -0.37 0.00 0.00 57.07 56.02 3mkq s TYR 574 Cb -0.12 -1.17 -0.12 0.00 -0.40 0.00 0.00 41.96 40.14 3mkq s TYR 574 CO 0.23 -0.42 1.70 1.28 -1.57 0.00 0.00 175.55 176.78 3mkq n LEU 575 N 4.45 3.93 -0.12 -1.29 4.77 -1.26 -1.66 117.00 125.83 3mkq n LEU 575 Ca -0.17 1.07 -0.24 0.00 -0.03 0.00 0.00 56.01 56.63 3mkq n LEU 575 Cb 0.51 -1.56 -0.11 0.00 -2.33 0.00 0.00 43.42 39.92 3mkq n LEU 575 CO 0.21 0.13 -1.25 0.18 -1.33 0.00 0.00 177.39 175.33 3mkq n LEU 576 N 3.79 2.32 0.00 2.23 4.32 0.23 -4.89 117.00 125.00 3mkq n LEU 576 Ca 0.16 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 3mkq n LEU 576 Cb 0.34 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 3mkq n LEU 576 CO 0.64 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 178.10 3mkq n GLY 577 N 1.65 1.21 3.36 -0.72 0.00 -1.11 -4.59 105.19 105.00 3mkq n GLY 577 Ca -0.47 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 3mkq n GLY 577 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mkq s TYR 578 N -1.96 2.81 -0.40 1.61 5.04 -1.26 -1.31 117.35 121.88 3mkq s TYR 578 Ca 0.00 -0.67 -0.10 0.00 -2.44 0.00 0.00 57.07 53.86 3mkq s TYR 578 Cb 0.00 -1.85 0.06 0.00 0.35 0.00 0.00 41.96 40.52 3mkq s TYR 578 CO 0.00 -0.23 0.23 -0.51 -1.34 0.00 0.00 175.55 173.70 3mkq s LEU 579 N 0.38 4.93 0.54 6.97 1.43 -1.10 -4.94 118.68 126.89 3mkq s LEU 579 Ca -0.11 -1.27 0.24 0.00 -1.03 0.00 0.00 54.13 51.96 3mkq s LEU 579 Cb -0.16 -2.00 1.41 0.00 0.03 0.00 0.00 46.19 45.48 3mkq s LEU 579 CO 0.05 -0.46 2.05 0.00 0.23 0.00 0.00 176.35 178.22 3mkq h ALA 580 N 8.42 2.24 -0.09 4.21 0.00 -1.92 0.65 119.26 132.77 3mkq h ALA 580 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3mkq h ALA 580 Cb 1.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mkq h ALA 580 CO 0.71 -0.42 0.01 -0.09 0.00 0.00 0.00 179.25 179.47 3mkq h ARG 581 N 0.00 0.15 -0.01 0.00 2.43 -1.97 -3.15 114.38 111.84 3mkq h ARG 581 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3mkq h ARG 581 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3mkq h ARG 581 CO -0.00 0.38 -0.36 -0.25 -1.51 0.00 0.00 179.97 178.22 3mkq n ASP 582 N -4.86 0.94 -3.57 -3.80 8.00 -0.94 -4.96 116.55 107.37 3mkq n ASP 582 Ca -0.06 -0.76 -0.22 0.00 0.71 0.00 0.00 54.79 54.46 3mkq n ASP 582 Cb 0.18 0.22 0.08 0.00 -0.02 0.00 0.00 41.12 41.57 3mkq n ASP 582 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mkq n ASN 583 N -0.87 -4.54 -3.60 -2.24 3.02 0.18 -4.98 115.26 102.22 3mkq n ASN 583 Ca 0.10 -0.60 -0.16 0.00 -0.03 0.00 0.00 54.58 53.89 3mkq n ASN 583 Cb 0.35 -4.92 -0.07 0.00 -0.61 0.00 0.00 39.78 34.53 3mkq n ASN 583 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3mkq s LYS 584 N -6.01 0.94 0.41 3.52 -2.85 -1.18 -2.76 119.74 111.81 3mkq s LYS 584 Ca 0.37 0.05 -0.17 0.00 -1.00 0.00 0.00 55.97 55.21 3mkq s LYS 584 Cb -0.17 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 3mkq s LYS 584 CO 0.74 -0.29 0.87 0.08 0.10 0.00 0.00 175.35 176.85 3mkq s VAL 585 N -1.42 4.55 -0.04 1.79 1.01 0.28 -2.70 120.40 123.86 3mkq s VAL 585 Ca -0.11 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.09 3mkq s VAL 585 Cb -0.02 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 3mkq s VAL 585 CO 0.06 -0.38 -0.15 -0.31 0.00 0.00 0.00 175.10 174.33 3mkq s TYR 586 N -2.23 1.50 0.41 5.22 1.51 -0.43 0.57 117.35 123.90 3mkq s TYR 586 Ca 0.58 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 3mkq s TYR 586 Cb -0.10 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3mkq s TYR 586 CO 0.20 -0.16 0.09 1.28 -1.11 0.00 0.00 175.55 175.85 3mkq n LEU 587 N 3.24 0.00 -3.57 -1.29 4.32 0.11 0.75 117.00 120.56 3mkq n LEU 587 Ca -0.19 -2.93 -0.14 0.00 -0.02 0.00 0.00 56.01 52.74 3mkq n LEU 587 Cb 0.53 0.74 -0.06 0.00 -1.62 0.00 0.00 43.42 43.01 3mkq n LEU 587 CO 0.25 -0.44 0.59 0.00 -1.22 0.00 0.00 177.39 176.57 3mkq s ALA 588 N -2.95 -1.85 0.42 -1.18 0.00 -0.66 -1.09 121.76 114.43 3mkq s ALA 588 Ca 0.13 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.68 3mkq s ALA 588 Cb 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3mkq s ALA 588 CO 0.09 -0.33 0.09 -0.40 0.00 0.00 0.00 175.76 175.22 3mkq n ASP 589 N 1.30 0.12 0.11 0.00 5.68 -1.08 -0.60 116.55 122.09 3mkq n ASP 589 Ca -0.14 -1.11 0.02 0.00 -0.50 0.00 0.00 54.79 53.06 3mkq n ASP 589 Cb 0.57 -0.06 0.38 0.00 -1.14 0.00 0.00 41.12 40.87 3mkq n ASP 589 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3mkq h ARG 590 N 0.00 0.25 -0.52 0.11 3.08 -1.87 -2.42 114.38 113.01 3mkq h ARG 590 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3mkq h ARG 590 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3mkq h ARG 590 CO 0.03 0.39 0.00 0.39 -1.07 0.00 0.00 179.97 179.71 3mkq n GLU 591 N -4.28 2.11 -3.46 0.04 1.02 -1.26 -4.56 120.64 110.25 3mkq n GLU 591 Ca -0.01 -1.22 -0.20 0.00 -0.02 0.00 0.00 57.16 55.71 3mkq n GLU 591 Cb 0.27 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.28 3mkq n GLU 591 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3mkq n VAL 592 N 0.36 -4.33 -3.45 2.62 0.31 -0.91 -5.00 118.33 107.93 3mkq n VAL 592 Ca 0.11 -0.24 -0.38 0.00 -0.01 0.00 0.00 64.34 63.82 3mkq n VAL 592 Cb 0.43 -4.40 -0.08 0.00 -0.91 0.00 0.00 33.84 28.87 3mkq n VAL 592 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3mkq s HIS 593 N -3.33 3.36 -0.07 3.52 3.76 -1.26 -4.89 115.29 116.38 3mkq s HIS 593 Ca 0.28 0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 55.52 3mkq s HIS 593 Cb -0.12 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 3mkq s HIS 593 CO 0.70 0.01 0.56 0.08 -0.85 0.00 0.00 174.74 175.25 3mkq s VAL 594 N 1.23 5.08 0.13 -0.90 1.01 -1.26 -2.64 120.40 123.05 3mkq s VAL 594 Ca 0.16 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.39 3mkq s VAL 594 Cb -0.14 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3mkq s VAL 594 CO 0.07 0.34 -0.23 -0.31 0.00 0.00 0.00 175.10 174.96 3mkq s TYR 595 N 0.43 2.04 -0.02 5.22 1.51 -0.25 -0.65 117.35 125.62 3mkq s TYR 595 Ca 0.30 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 3mkq s TYR 595 Cb -0.17 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 3mkq s TYR 595 CO 0.14 0.30 -0.08 0.20 -1.11 0.00 0.00 175.55 175.00 3mkq s GLY 596 N -2.13 0.44 -0.08 0.71 0.00 -1.26 0.04 107.32 105.04 3mkq s GLY 596 Ca 0.12 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.56 3mkq s GLY 596 CO 0.06 -0.14 -0.18 -0.47 0.00 0.00 0.00 173.10 172.37 3mkq s TYR 597 N 0.07 2.02 -0.09 1.90 6.14 0.19 -4.55 117.35 123.03 3mkq s TYR 597 Ca -0.01 -0.80 -0.27 0.00 0.64 0.00 0.00 57.07 56.64 3mkq s TYR 597 Cb -0.06 -1.40 -0.02 0.00 0.42 0.00 0.00 41.96 40.90 3mkq s TYR 597 CO 0.00 -0.35 0.86 -2.00 0.64 0.00 0.00 175.55 174.70 3mkq s GLU 598 N 0.51 4.42 0.21 4.97 2.12 -1.26 0.10 118.70 129.77 3mkq s GLU 598 Ca -0.17 1.14 0.09 0.00 0.36 0.00 0.00 54.97 56.39 3mkq s GLU 598 Cb -0.17 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 3mkq s GLU 598 CO 0.06 -0.15 -0.17 0.96 -0.54 0.00 0.00 175.26 175.42 3mkq s ILE 599 N 1.49 1.97 -0.39 -3.70 -4.36 -1.11 -4.94 121.20 110.15 3mkq s ILE 599 Ca 0.43 -2.16 -0.14 0.00 -0.26 0.00 0.00 60.65 58.52 3mkq s ILE 599 Cb -0.18 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.49 3mkq s ILE 599 CO 0.19 -0.44 0.27 -0.55 0.24 0.00 0.00 174.94 174.64 3mkq s SER 600 N -3.13 6.00 0.50 4.36 0.15 -1.26 -4.65 113.70 115.68 3mkq s SER 600 Ca 0.22 -0.83 0.16 0.00 0.70 0.00 0.00 55.95 56.20 3mkq s SER 600 Cb -0.04 -2.12 1.21 0.00 -1.71 0.00 0.00 66.02 63.36 3mkq s SER 600 CO 0.09 -0.39 2.11 0.25 1.20 0.00 0.00 173.24 176.50 3mkq h LEU 601 N 8.56 0.00 -0.06 3.45 5.85 -1.99 -0.40 115.31 130.72 3mkq h LEU 601 Ca -0.28 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3mkq h LEU 601 Cb 1.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3mkq h LEU 601 CO 0.70 0.04 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.48 3mkq h GLU 602 N 0.00 0.13 -0.55 1.25 3.07 -1.91 -0.94 114.58 115.63 3mkq h GLU 602 Ca -0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3mkq h GLU 602 Cb 0.08 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3mkq h GLU 602 CO 0.01 0.51 0.36 0.28 -1.40 0.00 0.00 179.01 178.77 3mkq h VAL 603 N -0.26 1.14 -0.90 3.13 2.07 -1.77 0.28 116.25 119.94 3mkq h VAL 603 Ca 0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3mkq h VAL 603 Cb 0.47 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3mkq h VAL 603 CO 0.01 0.14 0.50 -0.07 0.02 0.00 0.00 177.57 178.17 3mkq h LEU 604 N 0.74 1.12 -0.41 2.57 4.07 -1.06 -1.73 115.31 120.62 3mkq h LEU 604 Ca 0.20 -0.10 -0.18 0.00 0.08 0.00 0.00 57.88 57.88 3mkq h LEU 604 Cb -0.08 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.37 3mkq h LEU 604 CO -0.04 0.90 -0.72 -0.33 -1.08 0.00 0.00 178.44 177.17 3mkq h GLU 605 N 1.26 0.42 -0.34 1.13 5.08 -0.54 -1.61 114.58 119.98 3mkq h GLU 605 Ca 0.32 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mkq h GLU 605 Cb 0.02 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3mkq h GLU 605 CO -0.05 0.97 0.22 0.35 -1.00 0.00 0.00 179.01 179.50 3mkq h PHE 606 N 0.29 0.41 -0.61 4.33 3.57 -0.13 -2.03 116.94 122.77 3mkq h PHE 606 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3mkq h PHE 606 Cb 1.29 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3mkq h PHE 606 CO 0.04 0.26 0.22 1.96 -2.23 0.00 0.00 178.31 178.56 3mkq h GLN 607 N 0.45 0.93 -0.22 1.11 4.20 -1.25 -1.17 115.11 119.15 3mkq h GLN 607 Ca 0.13 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.70 3mkq h GLN 607 Cb -0.04 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.55 3mkq h GLN 607 CO -0.03 0.80 -0.08 1.15 -0.67 0.00 0.00 178.83 180.00 3mkq h THR 608 N 0.86 0.71 -0.13 -0.54 2.02 -0.89 -1.64 112.91 113.30 3mkq h THR 608 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 3mkq h THR 608 Cb 0.24 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3mkq h THR 608 CO -0.01 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.85 3mkq h LEU 609 N -0.04 0.19 -0.12 2.58 3.38 -1.25 -2.59 115.31 117.46 3mkq h LEU 609 Ca 0.11 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3mkq h LEU 609 Cb 0.22 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3mkq h LEU 609 CO -0.26 0.34 -0.11 0.74 0.09 0.00 0.00 178.44 179.25 3mkq h THR 610 N 0.03 0.69 0.00 0.22 2.02 -0.96 0.16 112.91 115.08 3mkq h THR 610 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3mkq h THR 610 Cb 0.22 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3mkq h THR 610 CO -0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 3mkq n LEU 611 N -5.25 0.00 -0.48 2.58 4.77 -0.64 -1.47 117.00 116.52 3mkq n LEU 611 Ca -0.03 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 3mkq n LEU 611 Cb 0.17 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3mkq n LEU 611 CO 0.24 -0.20 0.32 -1.14 -1.33 0.00 0.00 177.39 175.27 3mkq n ARG 612 N -1.35 1.17 -0.90 3.23 0.63 -0.14 -4.95 116.66 114.34 3mkq n ARG 612 Ca 0.05 -0.96 0.00 0.00 -0.92 0.00 0.00 57.85 56.02 3mkq n ARG 612 Cb 0.11 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.54 3mkq n ARG 612 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mkq n GLY 613 N 1.42 0.89 2.57 5.14 0.00 -0.54 -5.00 105.19 109.67 3mkq n GLY 613 Ca 0.09 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 3mkq n GLY 613 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mkq n GLU 614 N -1.66 2.29 -0.19 1.61 -0.58 -0.14 -4.90 120.64 117.07 3mkq n GLU 614 Ca 0.00 -3.91 -0.09 0.00 -0.42 0.00 0.00 57.16 52.74 3mkq n GLU 614 Cb 0.17 -1.77 0.03 0.00 -0.57 0.00 0.00 31.44 29.29 3mkq n GLU 614 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3mkq h ILE 615 N 2.73 1.27 -0.89 -3.67 2.10 -1.80 -2.06 117.51 115.18 3mkq h ILE 615 Ca 0.10 -1.21 0.02 0.00 1.08 0.00 0.00 64.86 64.85 3mkq h ILE 615 Cb 1.02 0.89 -0.05 0.00 -1.09 0.00 0.00 36.82 37.59 3mkq h ILE 615 CO 0.68 0.43 0.59 -0.33 -1.08 0.00 0.00 178.15 178.44 3mkq h GLU 616 N 0.94 1.14 -0.74 2.19 3.07 -1.95 0.38 114.58 119.61 3mkq h GLU 616 Ca 0.16 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3mkq h GLU 616 Cb 0.62 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3mkq h GLU 616 CO 0.04 0.76 0.23 1.49 -1.40 0.00 0.00 179.01 180.13 3mkq h GLU 617 N 1.18 1.14 -0.42 2.33 4.81 -1.90 -1.27 114.58 120.45 3mkq h GLU 617 Ca 0.34 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3mkq h GLU 617 Cb -0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3mkq h GLU 617 CO -0.08 0.97 -0.11 0.00 -0.73 0.00 0.00 179.01 179.05 3mkq h ALA 618 N 1.15 0.59 -0.36 2.92 0.00 -0.38 -1.65 119.26 121.53 3mkq h ALA 618 Ca 0.24 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3mkq h ALA 618 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3mkq h ALA 618 CO -0.01 0.48 -0.13 0.82 0.00 0.00 0.00 179.25 180.41 3mkq h ILE 619 N 0.65 1.25 0.00 0.00 2.04 -0.03 -1.29 117.51 120.13 3mkq h ILE 619 Ca 0.11 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.74 3mkq h ILE 619 Cb 0.65 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3mkq h ILE 619 CO 0.04 0.37 -1.50 -0.62 0.00 0.00 0.00 178.15 176.45 3mkq n GLU 620 N -4.18 0.63 -0.08 2.37 -0.58 -0.50 -4.18 120.64 114.12 3mkq n GLU 620 Ca 0.01 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.73 3mkq n GLU 620 Cb 0.35 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 3mkq n GLU 620 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3mkq n ASN 621 N -2.71 2.49 -0.04 1.62 3.02 -0.62 -4.74 115.26 114.28 3mkq n ASN 621 Ca -0.08 -0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.22 3mkq n ASN 621 Cb 0.75 -0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 3mkq n ASN 621 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3mkq h VAL 622 N -0.11 0.82 -0.99 2.41 2.07 -1.51 -3.40 116.25 115.54 3mkq h VAL 622 Ca -0.36 -2.29 0.26 0.00 0.82 0.00 0.00 66.70 65.13 3mkq h VAL 622 Cb 1.51 2.43 -0.06 0.00 -1.52 0.00 0.00 31.29 33.65 3mkq h VAL 622 CO -0.09 0.63 0.67 0.25 0.02 0.00 0.00 177.57 179.05 3mkq h LEU 623 N -0.43 0.24 -1.66 2.57 5.85 -1.43 -0.49 115.31 119.97 3mkq h LEU 623 Ca -0.37 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3mkq h LEU 623 Cb 1.69 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3mkq h LEU 623 CO -0.04 0.07 0.00 -0.65 -0.34 0.00 0.00 178.44 177.48 3mkq h PRO 624 N 0.23 0.00 -0.61 5.25 0.11 -1.79 -2.63 132.00 132.56 3mkq h PRO 624 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3mkq h PRO 624 Cb 1.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.70 3mkq h PRO 624 CO -0.14 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.74 3mkq n ASN 625 N -2.92 4.58 -4.65 -2.05 3.02 -0.19 -4.92 115.26 108.12 3mkq n ASN 625 Ca -0.00 -2.44 -0.40 0.00 -0.03 0.00 0.00 54.58 51.71 3mkq n ASN 625 Cb 0.23 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 3mkq n ASN 625 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mkq s VAL 626 N -1.83 5.06 -0.01 2.41 1.01 -0.99 -4.93 120.40 121.12 3mkq s VAL 626 Ca 0.49 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.45 3mkq s VAL 626 Cb 0.31 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3mkq s VAL 626 CO 0.23 0.12 0.21 -1.83 0.00 0.00 0.00 175.10 173.84 3mkq s GLU 627 N 1.94 3.48 0.46 2.72 4.04 -1.26 -4.96 118.70 125.12 3mkq s GLU 627 Ca 0.25 -0.23 0.00 0.00 0.04 0.00 0.00 54.97 55.03 3mkq s GLU 627 Cb -0.16 -3.09 0.00 0.00 0.02 0.00 0.00 34.13 30.90 3mkq s GLU 627 CO 0.10 0.67 0.00 0.41 -1.84 0.00 0.00 175.26 174.59 3mkq n GLY 628 N 1.03 -3.65 0.06 -3.83 0.00 -1.26 -4.16 105.19 93.38 3mkq n GLY 628 Ca -0.11 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 45.04 3mkq n GLY 628 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mkq n LYS 629 N -2.66 0.15 -0.15 1.61 5.02 -1.26 -2.93 118.16 117.94 3mkq n LYS 629 Ca -0.02 0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 56.35 3mkq n LYS 629 Cb 0.40 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 33.79 3mkq n LYS 629 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3mkq h ASP 630 N 0.00 0.93 -0.05 4.39 5.19 -1.99 0.51 116.42 125.39 3mkq h ASP 630 Ca 0.00 -0.28 -0.19 0.00 -0.62 0.00 0.00 57.03 55.94 3mkq h ASP 630 Cb 0.60 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.87 3mkq h ASP 630 CO 0.00 1.03 -0.69 0.28 -3.12 0.00 0.00 179.24 176.74 3mkq h SER 631 N 0.84 0.70 -0.62 6.45 0.02 -1.71 -2.59 113.55 116.65 3mkq h SER 631 Ca 0.14 -0.70 0.03 0.00 -0.84 0.00 0.00 61.79 60.41 3mkq h SER 631 Cb 0.61 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3mkq h SER 631 CO 0.04 1.30 0.39 -0.07 -1.14 0.00 0.00 176.83 177.35 3mkq h LEU 632 N 0.16 0.64 -0.98 5.07 4.07 -1.38 -1.43 115.31 121.46 3mkq h LEU 632 Ca -0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 3mkq h LEU 632 Cb 1.36 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 3mkq h LEU 632 CO 0.14 0.45 0.32 0.74 -1.08 0.00 0.00 178.44 179.01 3mkq h THR 633 N 0.77 1.24 0.13 0.22 2.02 0.01 0.37 112.91 117.66 3mkq h THR 633 Ca 0.25 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3mkq h THR 633 Cb 0.01 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3mkq h THR 633 CO -0.10 0.29 -0.11 0.11 0.37 0.00 0.00 175.52 176.08 3mkq h LYS 634 N 1.04 -0.24 -0.76 6.66 1.57 -0.93 0.88 116.57 124.80 3mkq h LYS 634 Ca 0.25 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3mkq h LYS 634 Cb 0.15 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3mkq h LYS 634 CO -0.03 -0.16 0.48 0.82 -0.57 0.00 0.00 179.45 179.99 3mkq h ILE 635 N -0.25 1.20 -0.03 1.86 2.04 -0.98 0.97 117.51 122.32 3mkq h ILE 635 Ca -0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3mkq h ILE 635 Cb 0.24 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3mkq h ILE 635 CO -0.02 0.20 0.01 0.00 0.00 0.00 0.00 178.15 178.34 3mkq h ALA 636 N 1.50 0.04 0.00 1.87 0.00 -0.24 0.83 119.26 123.26 3mkq h ALA 636 Ca 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3mkq h ALA 636 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mkq h ALA 636 CO -0.06 -0.39 -0.21 0.00 0.00 0.00 0.00 179.25 178.59 3mkq h ARG 637 N -0.09 0.00 -0.07 0.00 3.08 -0.42 -1.19 114.38 115.69 3mkq h ARG 637 Ca 0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 3mkq h ARG 637 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3mkq h ARG 637 CO -0.00 0.21 -0.70 0.35 -1.07 0.00 0.00 179.97 178.76 3mkq h PHE 638 N 0.00 0.85 -0.65 3.04 3.57 -0.52 -2.13 116.94 121.10 3mkq h PHE 638 Ca -0.00 -0.41 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 3mkq h PHE 638 Cb 0.72 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3mkq h PHE 638 CO 0.00 1.22 0.14 -0.07 -2.23 0.00 0.00 178.31 177.38 3mkq h LEU 639 N 0.23 0.98 -0.61 0.59 3.38 -0.56 -2.41 115.31 116.91 3mkq h LEU 639 Ca -0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3mkq h LEU 639 Cb 1.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3mkq h LEU 639 CO 0.14 0.95 0.08 -0.08 0.09 0.00 0.00 178.44 179.62 3mkq h GLU 640 N 0.98 1.03 0.00 1.13 4.81 -1.22 -0.98 114.58 120.33 3mkq h GLU 640 Ca 0.21 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3mkq h GLU 640 Cb 0.37 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3mkq h GLU 640 CO 0.00 0.97 0.00 0.41 -0.73 0.00 0.00 179.01 179.67 3mkq n GLY 641 N -0.52 -0.58 0.09 1.92 0.00 -0.80 -2.06 105.19 103.24 3mkq n GLY 641 Ca 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3mkq n GLY 641 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mkq n GLN 642 N -0.62 1.58 -0.06 1.61 1.13 -0.43 -4.99 117.38 115.60 3mkq n GLN 642 Ca 0.03 -1.66 0.00 0.00 -1.94 0.00 0.00 57.00 53.43 3mkq n GLN 642 Cb 0.02 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3mkq n GLN 642 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3mkq n GLU 643 N -0.69 0.00 -1.14 -1.09 -0.58 -0.87 -4.90 120.64 111.37 3mkq n GLU 643 Ca 0.06 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.46 3mkq n GLU 643 Cb 0.48 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.27 3mkq n GLU 643 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3mkq n TYR 644 N -2.00 2.11 -0.16 -0.32 4.02 -0.82 -4.66 117.16 115.34 3mkq n TYR 644 Ca 0.00 -2.73 -0.07 0.00 -0.01 0.00 0.00 57.90 55.10 3mkq n TYR 644 Cb 0.00 -2.23 0.02 0.00 -0.02 0.00 0.00 39.34 37.11 3mkq n TYR 644 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3mkq h TYR 645 N 5.47 0.57 0.01 -0.72 0.99 -1.88 -1.35 116.97 120.06 3mkq h TYR 645 Ca 0.75 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.49 3mkq h TYR 645 Cb 0.26 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 3mkq h TYR 645 CO 1.89 0.35 -0.07 0.93 -0.00 0.00 0.00 178.16 181.25 3mkq h GLU 646 N 0.61 -0.09 -0.41 4.88 4.39 -1.91 -0.41 114.58 121.64 3mkq h GLU 646 Ca 0.18 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.93 3mkq h GLU 646 Cb -0.04 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3mkq h GLU 646 CO -0.06 -0.06 0.28 1.05 -1.16 0.00 0.00 179.01 179.06 3mkq h GLU 647 N -0.10 0.36 -0.50 2.33 9.09 -1.96 -1.31 114.58 122.49 3mkq h GLU 647 Ca 0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.35 3mkq h GLU 647 Cb 0.10 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.10 3mkq h GLU 647 CO -0.05 0.24 0.14 0.00 0.05 0.00 0.00 179.01 179.39 3mkq h ALA 648 N 1.77 1.30 -0.93 1.06 0.00 -0.84 -1.82 119.26 119.80 3mkq h ALA 648 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mkq h ALA 648 Cb 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3mkq h ALA 648 CO -0.04 0.50 0.56 1.25 0.00 0.00 0.00 179.25 181.52 3mkq h LEU 649 N 0.73 1.12 -0.60 0.00 6.46 0.13 -1.04 115.31 122.11 3mkq h LEU 649 Ca 0.17 -0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.71 3mkq h LEU 649 Cb 0.25 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3mkq h LEU 649 CO -0.01 0.85 -0.47 0.78 -0.62 0.00 0.00 178.44 178.98 3mkq h ASN 650 N 1.28 0.61 0.00 1.25 2.35 -1.25 -3.33 115.58 116.50 3mkq h ASN 650 Ca 0.33 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3mkq h ASN 650 Cb -0.06 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3mkq h ASN 650 CO -0.06 0.99 -0.03 0.40 -1.65 0.00 0.00 177.43 177.07 3mkq h ILE 651 N 0.45 1.66 -1.88 2.81 1.08 -1.04 -3.47 117.51 117.13 3mkq h ILE 651 Ca 0.03 -1.99 -0.65 0.00 -0.39 0.00 0.00 64.86 61.85 3mkq h ILE 651 Cb 0.99 3.01 0.06 0.00 -3.07 0.00 0.00 36.82 37.82 3mkq h ILE 651 CO 0.09 0.52 0.43 -0.24 -0.69 0.00 0.00 178.15 178.26 3mkq n SER 652 N -4.66 1.74 0.03 1.72 2.88 -0.43 -4.89 113.62 110.02 3mkq n SER 652 Ca -0.10 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.67 3mkq n SER 652 Cb 0.42 -1.24 -0.10 0.00 -0.75 0.00 0.00 64.21 62.55 3mkq n SER 652 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mkq n PRO 653 N 2.32 0.64 -2.36 -1.46 -0.04 -1.26 -4.87 135.00 127.97 3mkq n PRO 653 Ca 0.17 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 3mkq n PRO 653 Cb 0.23 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 3mkq n PRO 653 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3mkq s ASP 654 N -4.91 6.45 0.25 3.54 2.15 -1.26 -4.92 116.67 117.97 3mkq s ASP 654 Ca -0.05 1.01 -0.04 0.00 0.43 0.00 0.00 52.55 53.90 3mkq s ASP 654 Cb 0.12 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.58 3mkq s ASP 654 CO 0.86 -1.30 1.85 1.56 -0.17 0.00 0.00 175.17 177.97 3mkq h GLN 655 N 10.24 0.97 0.42 4.34 1.08 -1.99 -1.67 115.11 128.51 3mkq h GLN 655 Ca -0.27 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 3mkq h GLN 655 Cb 1.11 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 3mkq h GLN 655 CO 1.06 0.64 -0.40 -0.44 -0.95 0.00 0.00 178.83 178.74 3mkq h ASP 656 N 1.00 -1.10 -0.94 1.46 3.32 -1.98 -1.55 116.42 116.64 3mkq h ASP 656 Ca 0.41 0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.72 3mkq h ASP 656 Cb 0.23 0.36 -0.11 0.00 0.22 0.00 0.00 39.33 40.03 3mkq h ASP 656 CO -0.19 -0.54 0.52 -0.61 -1.72 0.00 0.00 179.24 176.70 3mkq h GLN 657 N -0.82 0.63 0.07 3.56 4.15 -1.93 -1.42 115.11 119.36 3mkq h GLN 657 Ca -0.05 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.35 3mkq h GLN 657 Cb 0.70 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 3mkq h GLN 657 CO -0.04 0.42 -0.25 0.87 -1.93 0.00 0.00 178.83 177.90 3mkq h LYS 658 N 0.65 -0.42 -0.50 1.69 1.57 -0.80 0.26 116.57 119.02 3mkq h LYS 658 Ca 0.54 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.44 3mkq h LYS 658 Cb 0.86 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.19 3mkq h LYS 658 CO -0.40 -0.28 0.09 0.35 -0.57 0.00 0.00 179.45 178.63 3mkq h PHE 659 N -0.43 0.13 -0.57 -1.35 3.57 -0.29 0.63 116.94 118.64 3mkq h PHE 659 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3mkq h PHE 659 Cb 0.48 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3mkq h PHE 659 CO -0.25 -0.03 0.33 1.49 -2.23 0.00 0.00 178.31 177.62 3mkq h GLU 660 N 0.22 0.77 -0.72 1.11 4.22 -0.85 -2.73 114.58 116.60 3mkq h GLU 660 Ca 0.25 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.56 3mkq h GLU 660 Cb 0.35 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3mkq h GLU 660 CO -0.35 0.57 0.20 -0.07 -2.18 0.00 0.00 179.01 177.18 3mkq h LEU 661 N 0.76 1.07 -0.77 1.64 3.38 0.48 -2.74 115.31 119.12 3mkq h LEU 661 Ca 0.20 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3mkq h LEU 661 Cb 0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3mkq h LEU 661 CO -0.04 1.00 0.48 0.00 0.09 0.00 0.00 178.44 179.98 3mkq h ALA 662 N 1.13 1.03 -0.34 1.53 0.00 -0.65 -1.74 119.26 120.22 3mkq h ALA 662 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mkq h ALA 662 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3mkq h ALA 662 CO -0.00 0.26 0.21 -0.07 0.00 0.00 0.00 179.25 179.65 3mkq h LEU 663 N 0.92 0.40 -0.80 0.00 4.07 -1.23 0.18 115.31 118.86 3mkq h LEU 663 Ca 0.32 -0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.34 3mkq h LEU 663 Cb 0.06 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.63 3mkq h LEU 663 CO -0.13 0.33 0.44 0.11 -1.08 0.00 0.00 178.44 178.10 3mkq h LYS 664 N 0.45 0.70 -0.37 1.13 1.57 -1.06 -2.30 116.57 116.68 3mkq h LYS 664 Ca 0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3mkq h LYS 664 Cb -0.01 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3mkq h LYS 664 CO -0.02 0.46 0.00 1.33 -0.57 0.00 0.00 179.45 180.65 3mkq n VAL 665 N -4.79 0.49 -1.02 0.50 0.24 -0.75 -4.94 118.33 108.05 3mkq n VAL 665 Ca 0.13 -0.59 -0.01 0.00 -2.04 0.00 0.00 64.34 61.83 3mkq n VAL 665 Cb 0.30 0.52 -0.00 0.00 -1.47 0.00 0.00 33.84 33.18 3mkq n VAL 665 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mkq n GLY 666 N 1.31 0.46 2.58 7.63 0.00 -0.38 -4.91 105.19 111.88 3mkq n GLY 666 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3mkq n GLY 666 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mkq n GLN 667 N -2.39 3.50 -0.01 1.61 6.02 -0.09 -4.72 117.38 121.30 3mkq n GLN 667 Ca -0.01 -2.76 -0.09 0.00 -0.01 0.00 0.00 57.00 54.14 3mkq n GLN 667 Cb 0.10 -2.98 -0.03 0.00 1.02 0.00 0.00 30.24 28.35 3mkq n GLN 667 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3mkq h LEU 668 N 8.06 -0.38 -0.07 1.08 3.38 -1.91 -1.96 115.31 123.50 3mkq h LEU 668 Ca 0.66 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.75 3mkq h LEU 668 Cb 0.48 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3mkq h LEU 668 CO 1.76 -0.16 -0.28 0.74 0.09 0.00 0.00 178.44 180.59 3mkq h THR 669 N -0.13 0.37 -0.59 0.22 2.02 -1.97 -0.18 112.91 112.64 3mkq h THR 669 Ca 0.09 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.40 3mkq h THR 669 Cb 0.27 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 66.94 3mkq h THR 669 CO -0.23 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 175.82 3mkq h LEU 670 N -0.38 -0.44 -0.05 2.58 5.85 -1.87 0.86 115.31 121.86 3mkq h LEU 670 Ca 0.08 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3mkq h LEU 670 Cb 0.50 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3mkq h LEU 670 CO -0.29 -0.16 -0.10 0.00 -0.34 0.00 0.00 178.44 177.55 3mkq h ALA 671 N 1.57 -0.06 0.20 1.25 0.00 -0.52 -2.83 119.26 118.88 3mkq h ALA 671 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3mkq h ALA 671 Cb 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3mkq h ALA 671 CO -0.57 -0.57 -0.17 -0.09 0.00 0.00 0.00 179.25 177.84 3mkq h ARG 672 N -0.14 -0.38 -1.97 0.00 2.43 -0.11 -1.42 114.38 112.79 3mkq h ARG 672 Ca 0.05 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3mkq h ARG 672 Cb 0.22 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3mkq h ARG 672 CO -0.14 -0.25 0.00 -0.25 -1.51 0.00 0.00 179.97 177.82 3mkq n ASP 673 N -5.30 2.12 0.00 -3.80 9.92 0.21 -0.43 116.55 119.27 3mkq n ASP 673 Ca -0.08 -1.52 0.00 0.00 -0.53 0.00 0.00 54.79 52.65 3mkq n ASP 673 Cb 0.21 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 3mkq n ASP 673 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3mkq n LEU 674 N 1.72 0.00 -3.73 0.64 7.94 -0.54 -4.95 117.00 118.09 3mkq n LEU 674 Ca 0.00 -0.18 -0.20 0.00 -1.11 0.00 0.00 56.01 54.52 3mkq n LEU 674 Cb 0.20 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.98 3mkq n LEU 674 CO 0.00 0.21 -0.36 -0.76 -1.11 0.00 0.00 177.39 175.37 3mkq s LEU 675 N 0.00 0.48 0.00 -1.96 1.02 0.43 -5.00 118.68 113.65 3mkq s LEU 675 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.16 3mkq s LEU 675 Cb 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 46.19 45.97 3mkq s LEU 675 CO 0.00 -0.20 0.00 0.41 0.02 0.00 0.00 176.35 176.58 3mkq n THR 676 N 5.02 0.00 0.24 5.49 -1.04 -1.26 -4.75 114.28 117.98 3mkq n THR 676 Ca -0.09 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.85 3mkq n THR 676 Cb 0.50 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.05 3mkq n THR 676 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3mkq n ASP 677 N 0.00 3.62 -4.50 8.00 9.92 -1.26 -4.76 116.55 127.57 3mkq n ASP 677 Ca 0.00 -2.48 -0.12 0.00 -0.53 0.00 0.00 54.79 51.66 3mkq n ASP 677 Cb 0.00 -0.67 -0.10 0.00 -0.64 0.00 0.00 41.12 39.71 3mkq n ASP 677 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3mkq n GLU 678 N 0.18 0.08 0.00 -1.24 1.02 -1.26 -4.80 120.64 114.62 3mkq n GLU 678 Ca 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 3mkq n GLU 678 Cb 0.77 -3.56 0.00 0.00 -0.02 0.00 0.00 31.44 28.64 3mkq n GLU 678 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3mkq n SER 679 N 18.00 0.00 0.00 1.62 3.41 -1.26 -4.53 113.62 130.87 3mkq n SER 679 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3mkq n SER 679 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3mkq n SER 679 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mkq n ALA 680 N 0.00 0.00 0.22 7.33 0.00 -1.26 -4.69 120.51 122.11 3mkq n ALA 680 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3mkq n ALA 680 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 3mkq n ALA 680 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3mkq h GLU 681 N 0.00 0.00 0.00 0.00 5.08 -1.89 -1.52 114.58 116.25 3mkq h GLU 681 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mkq h GLU 681 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3mkq h GLU 681 CO 0.00 0.24 0.00 1.98 -1.00 0.00 0.00 179.01 180.23 3mkq h MET 682 N 0.00 0.00 0.12 2.33 4.05 -1.89 -1.57 114.93 117.98 3mkq h MET 682 Ca -0.00 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.10 3mkq h MET 682 Cb 0.64 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 3mkq h MET 682 CO 0.03 0.00 -1.65 0.87 0.23 0.00 0.00 176.91 176.39 3mkq h LYS 683 N 0.00 0.26 -0.63 0.39 1.57 -1.62 -3.03 116.57 113.51 3mkq h LYS 683 Ca 0.00 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3mkq h LYS 683 Cb 0.33 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3mkq h LYS 683 CO 0.00 1.21 0.42 -1.49 -0.57 0.00 0.00 179.45 179.02 3mkq h TRP 684 N -0.17 0.75 -0.17 -1.35 4.06 -1.31 0.11 115.95 117.87 3mkq h TRP 684 Ca -0.35 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.58 3mkq h TRP 684 Cb 1.87 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.77 3mkq h TRP 684 CO 0.10 0.45 -0.03 -0.09 -3.56 0.00 0.00 178.44 175.31 3mkq h ARG 685 N 0.79 0.32 -0.85 0.49 2.43 -1.41 0.14 114.38 116.29 3mkq h ARG 685 Ca 0.24 -0.12 0.10 0.00 -0.81 0.00 0.00 59.98 59.39 3mkq h ARG 685 Cb 0.00 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 3mkq h ARG 685 CO -0.06 0.58 0.55 0.00 -1.51 0.00 0.00 179.97 179.54 3mkq h ALA 686 N 0.73 1.70 -0.32 2.80 0.00 -1.20 0.24 119.26 123.22 3mkq h ALA 686 Ca 0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3mkq h ALA 686 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mkq h ALA 686 CO 0.02 0.12 -0.44 1.25 0.00 0.00 0.00 179.25 180.19 3mkq h LEU 687 N 0.81 0.89 -0.31 0.00 5.85 -0.42 -1.66 115.31 120.46 3mkq h LEU 687 Ca 0.40 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3mkq h LEU 687 Cb 0.45 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3mkq h LEU 687 CO -0.17 1.20 0.03 1.23 -0.34 0.00 0.00 178.44 180.39 3mkq h GLY 688 N 0.84 0.58 1.00 3.75 0.00 0.13 -0.84 103.07 108.53 3mkq h GLY 688 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3mkq h GLY 688 CO 0.10 0.37 0.39 -0.55 0.00 0.00 0.00 176.54 176.85 3mkq h ASP 689 N 0.35 0.80 0.11 0.19 3.32 -0.60 -0.05 116.42 120.54 3mkq h ASP 689 Ca 0.09 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3mkq h ASP 689 Cb 0.39 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3mkq h ASP 689 CO 0.01 0.64 -0.09 0.00 -1.72 0.00 0.00 179.24 178.08 3mkq h ALA 690 N 1.20 -0.18 -0.20 3.45 0.00 -1.10 -0.54 119.26 121.88 3mkq h ALA 690 Ca 0.23 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3mkq h ALA 690 Cb -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3mkq h ALA 690 CO -0.04 -0.61 0.08 0.77 0.00 0.00 0.00 179.25 179.44 3mkq h SER 691 N -0.20 0.09 -0.20 0.00 0.02 -0.90 -1.85 113.55 110.52 3mkq h SER 691 Ca -0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3mkq h SER 691 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3mkq h SER 691 CO -0.01 0.08 0.10 0.25 -1.14 0.00 0.00 176.83 176.11 3mkq h LEU 692 N 0.18 0.29 -0.88 5.07 5.85 -0.82 -0.37 115.31 124.61 3mkq h LEU 692 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3mkq h LEU 692 Cb 0.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3mkq h LEU 692 CO -0.08 0.26 0.51 1.56 -0.34 0.00 0.00 178.44 180.35 3mkq h GLN 693 N 0.33 1.21 -1.13 1.25 4.20 -0.27 -2.63 115.11 118.07 3mkq h GLN 693 Ca 0.08 -0.13 -0.63 0.00 0.06 0.00 0.00 58.65 58.03 3mkq h GLN 693 Cb 0.06 -0.25 -0.27 0.00 0.30 0.00 0.00 27.48 27.33 3mkq h GLN 693 CO -0.01 0.87 0.82 2.89 -0.67 0.00 0.00 178.83 182.73 3mkq n ARG 694 N -4.38 2.57 -4.23 1.46 1.85 -0.39 -4.91 116.66 108.63 3mkq n ARG 694 Ca 0.09 -3.06 -0.37 0.00 -1.00 0.00 0.00 57.85 53.52 3mkq n ARG 694 Cb 0.08 -2.20 -0.06 0.00 -1.05 0.00 0.00 32.46 29.23 3mkq n ARG 694 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3mkq n PHE 695 N -0.71 -1.34 -3.23 2.89 3.01 -0.99 -4.86 117.46 112.24 3mkq n PHE 695 Ca 0.58 0.61 -0.36 0.00 1.01 0.00 0.00 57.45 59.29 3mkq n PHE 695 Cb 0.63 -1.89 -0.03 0.00 -0.01 0.00 0.00 39.48 38.17 3mkq n PHE 695 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3mkq n ASN 696 N -2.36 5.17 -0.27 4.37 5.15 -0.29 -4.89 115.26 122.15 3mkq n ASN 696 Ca 0.10 -3.40 0.03 0.00 -0.60 0.00 0.00 54.58 50.70 3mkq n ASN 696 Cb 0.46 -1.01 0.16 0.00 -0.53 0.00 0.00 39.78 38.86 3mkq n ASN 696 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3mkq h PHE 697 N 4.97 0.74 -0.85 1.20 -1.00 -1.89 -1.65 116.94 118.47 3mkq h PHE 697 Ca 0.20 0.03 0.13 0.00 2.81 0.00 0.00 57.97 61.13 3mkq h PHE 697 Cb 0.65 -0.22 -0.09 0.00 3.61 0.00 0.00 35.95 39.91 3mkq h PHE 697 CO 0.87 0.28 0.46 -0.22 -1.61 0.00 0.00 178.31 178.09 3mkq h LYS 698 N 0.69 0.69 0.09 1.51 3.64 -1.97 0.11 116.57 121.32 3mkq h LYS 698 Ca 0.38 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.43 3mkq h LYS 698 Cb 0.39 -0.15 0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3mkq h LYS 698 CO -0.27 0.45 -1.18 -0.07 -2.27 0.00 0.00 179.45 176.11 3mkq h LEU 699 N 0.71 0.85 -0.19 5.20 3.38 -1.81 -3.05 115.31 120.40 3mkq h LEU 699 Ca 0.44 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3mkq h LEU 699 Cb 0.54 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3mkq h LEU 699 CO -0.31 1.56 -0.08 0.00 0.09 0.00 0.00 178.44 179.70 3mkq h ALA 700 N 0.36 0.08 -0.85 1.53 0.00 -0.65 0.38 119.26 120.11 3mkq h ALA 700 Ca -0.17 0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3mkq h ALA 700 Cb 1.85 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.74 3mkq h ALA 700 CO 0.23 -0.51 0.43 0.82 0.00 0.00 0.00 179.25 180.21 3mkq h ILE 701 N -0.06 0.71 -0.36 0.00 2.04 -0.84 0.13 117.51 119.14 3mkq h ILE 701 Ca 0.10 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3mkq h ILE 701 Cb 0.20 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3mkq h ILE 701 CO -0.22 0.11 -0.26 -0.08 0.00 0.00 0.00 178.15 177.70 3mkq h GLU 702 N 0.60 0.81 0.70 2.37 4.81 -1.20 -2.59 114.58 120.08 3mkq h GLU 702 Ca 0.47 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3mkq h GLU 702 Cb 0.68 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.06 3mkq h GLU 702 CO -0.37 1.02 -0.33 0.00 -0.73 0.00 0.00 179.01 178.59 3mkq h ALA 703 N 0.77 -0.93 -0.55 2.92 0.00 0.27 -2.55 119.26 119.19 3mkq h ALA 703 Ca 0.07 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3mkq h ALA 703 Cb 0.82 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3mkq h ALA 703 CO 0.07 -0.95 0.37 0.74 0.00 0.00 0.00 179.25 179.48 3mkq h PHE 704 N -1.08 0.40 -0.06 0.00 0.05 -1.12 0.72 116.94 115.85 3mkq h PHE 704 Ca -0.10 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.70 3mkq h PHE 704 Cb 0.75 -0.13 -0.00 0.00 2.00 0.00 0.00 35.95 38.56 3mkq h PHE 704 CO -0.01 0.20 0.02 1.15 -0.18 0.00 0.00 178.31 179.49 3mkq h THR 705 N 0.38 1.18 0.00 -1.55 2.02 -1.36 -0.90 112.91 112.69 3mkq h THR 705 Ca 0.25 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 3mkq h THR 705 Cb 0.49 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3mkq h THR 705 CO -0.06 0.15 -0.28 0.78 0.37 0.00 0.00 175.52 176.48 3mkq h ASN 706 N -0.11 0.00 1.13 4.18 2.35 -0.97 -2.06 115.58 120.10 3mkq h ASN 706 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3mkq h ASN 706 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3mkq h ASN 706 CO -0.00 0.28 0.00 0.00 -1.65 0.00 0.00 177.43 176.06 3mkq n ALA 707 N -2.26 2.30 -2.15 -0.83 0.00 0.19 -4.90 120.51 112.85 3mkq n ALA 707 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3mkq n ALA 707 Cb 0.44 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 3mkq n ALA 707 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mkq n HIS 708 N -1.74 -0.67 -2.89 0.00 8.25 -0.41 -4.85 115.22 112.90 3mkq n HIS 708 Ca 0.06 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.09 3mkq n HIS 708 Cb 0.36 -3.70 -0.02 0.00 1.12 0.00 0.00 29.99 27.76 3mkq n HIS 708 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3mkq s ASP 709 N -2.30 6.77 0.49 0.41 2.15 -0.77 -4.86 116.67 118.56 3mkq s ASP 709 Ca 0.00 -2.32 0.15 0.00 0.43 0.00 0.00 52.55 50.81 3mkq s ASP 709 Cb 0.00 -2.42 1.16 0.00 -0.30 0.00 0.00 42.92 41.36 3mkq s ASP 709 CO 0.00 -1.00 2.09 -0.07 -0.17 0.00 0.00 175.17 176.02 3mkq h LEU 710 N 10.45 0.01 0.01 -1.34 3.38 -1.91 -1.94 115.31 123.98 3mkq h LEU 710 Ca 0.22 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3mkq h LEU 710 Cb 0.97 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3mkq h LEU 710 CO 1.19 0.07 -0.00 -0.33 0.09 0.00 0.00 178.44 179.46 3mkq h GLU 711 N 0.01 -0.01 -0.36 1.13 3.07 -1.98 -1.55 114.58 114.89 3mkq h GLU 711 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3mkq h GLU 711 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3mkq h GLU 711 CO 0.01 0.21 -0.21 0.77 -1.40 0.00 0.00 179.01 178.39 3mkq h SER 712 N -0.23 0.82 -0.68 1.42 0.02 -1.95 -2.91 113.55 110.04 3mkq h SER 712 Ca -0.00 -0.42 0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3mkq h SER 712 Cb 0.22 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3mkq h SER 712 CO 0.00 1.06 0.45 0.25 -1.14 0.00 0.00 176.83 177.45 3mkq h LEU 713 N 0.58 0.73 -0.77 5.07 5.85 -1.34 -1.65 115.31 123.78 3mkq h LEU 713 Ca 0.08 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3mkq h LEU 713 Cb 0.76 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3mkq h LEU 713 CO 0.06 0.51 0.30 0.15 -0.34 0.00 0.00 178.44 179.12 3mkq h PHE 714 N 0.85 1.17 -0.30 1.25 3.57 -1.13 -0.30 116.94 122.05 3mkq h PHE 714 Ca 0.27 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3mkq h PHE 714 Cb 0.02 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3mkq h PHE 714 CO -0.00 0.89 0.06 -0.07 -2.23 0.00 0.00 178.31 176.97 3mkq h LEU 715 N 1.11 0.40 0.03 0.59 4.07 -1.12 -0.82 115.31 119.57 3mkq h LEU 715 Ca 0.26 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 3mkq h LEU 715 Cb 0.22 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3mkq h LEU 715 CO -0.02 0.42 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.67 3mkq h LEU 716 N 0.43 -0.03 -1.84 1.67 3.38 -1.09 -2.91 115.31 114.93 3mkq h LEU 716 Ca 0.10 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3mkq h LEU 716 Cb 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mkq h LEU 716 CO -0.00 0.67 -0.03 0.45 0.09 0.00 0.00 178.44 179.62 3mkq h HIS 717 N -0.99 0.07 0.00 1.13 3.86 -1.08 -0.75 115.15 117.39 3mkq h HIS 717 Ca -0.00 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 3mkq h HIS 717 Cb 0.45 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3mkq h HIS 717 CO 0.12 0.10 -0.88 0.66 0.86 0.00 0.00 177.93 178.78 3mkq h SER 718 N 0.07 0.25 0.14 2.45 4.64 -1.27 -0.87 113.55 118.96 3mkq h SER 718 Ca 0.02 -0.20 -0.21 0.00 -0.47 0.00 0.00 61.79 60.93 3mkq h SER 718 Cb 0.10 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3mkq h SER 718 CO 0.00 1.01 -0.80 0.28 -0.87 0.00 0.00 176.83 176.46 3mkq h SER 719 N 0.10 0.65 -0.79 4.97 0.02 -1.17 -3.19 113.55 114.14 3mkq h SER 719 Ca -0.04 -0.44 -0.29 0.00 -0.84 0.00 0.00 61.79 60.17 3mkq h SER 719 Cb 1.51 -0.19 -0.17 0.00 0.14 0.00 0.00 62.40 63.69 3mkq h SER 719 CO 0.13 1.21 0.35 0.49 -1.14 0.00 0.00 176.83 177.88 3mkq n PHE 720 N -3.85 2.55 -3.48 3.45 0.99 -0.35 -4.96 117.46 111.81 3mkq n PHE 720 Ca -0.06 -1.38 -0.13 0.00 -0.00 0.00 0.00 57.45 55.87 3mkq n PHE 720 Cb 0.75 -0.74 -0.01 0.00 -1.00 0.00 0.00 39.48 38.47 3mkq n PHE 720 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3mkq n ASN 721 N -0.45 -0.50 -4.41 4.37 3.02 -0.73 -4.83 115.26 111.73 3mkq n ASN 721 Ca 0.45 -0.45 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 3mkq n ASN 721 Cb 1.45 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 40.04 3mkq n ASN 721 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3mkq s ASN 722 N -3.96 6.45 0.29 6.41 3.84 -0.41 -4.92 114.94 122.63 3mkq s ASN 722 Ca 0.08 -1.80 0.03 0.00 0.21 0.00 0.00 52.86 51.38 3mkq s ASN 722 Cb -0.05 -2.35 0.62 0.00 -0.55 0.00 0.00 41.25 38.93 3mkq s ASN 722 CO 0.34 -1.07 1.81 0.50 -2.79 0.00 0.00 177.10 175.89 3mkq h LYS 723 N 8.90 0.86 -0.00 0.43 3.64 -1.88 -0.36 116.57 128.16 3mkq h LYS 723 Ca -0.05 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 3mkq h LYS 723 Cb 1.05 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 3mkq h LYS 723 CO 1.07 0.57 -0.80 1.49 -2.27 0.00 0.00 179.45 179.50 3mkq h GLU 724 N 0.88 0.08 0.16 1.90 4.81 -1.97 -2.23 114.58 118.22 3mkq h GLU 724 Ca 0.53 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 3mkq h GLU 724 Cb 0.66 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3mkq h GLU 724 CO -0.32 0.84 -0.08 0.78 -0.73 0.00 0.00 179.01 179.50 3mkq h GLY 725 N 2.10 -0.22 0.15 1.92 0.00 -1.72 -1.88 103.07 103.42 3mkq h GLY 725 Ca -0.02 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3mkq h GLY 725 CO 0.11 -0.08 -0.45 1.41 0.00 0.00 0.00 176.54 177.53 3mkq h LEU 726 N -0.51 -1.37 -1.64 3.11 4.07 -1.12 -0.16 115.31 117.69 3mkq h LEU 726 Ca -0.02 0.16 0.12 0.00 0.08 0.00 0.00 57.88 58.22 3mkq h LEU 726 Cb 0.39 0.52 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 3mkq h LEU 726 CO 0.04 -0.49 0.44 0.58 -1.08 0.00 0.00 178.44 177.93 3mkq h VAL 727 N -0.63 0.85 -0.08 1.22 2.07 -1.42 0.34 116.25 118.59 3mkq h VAL 727 Ca 0.03 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 67.20 3mkq h VAL 727 Cb 0.69 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3mkq h VAL 727 CO -0.31 0.07 -0.84 0.74 0.02 0.00 0.00 177.57 177.26 3mkq h THR 728 N 0.39 1.32 -0.46 2.57 2.02 -0.70 -2.86 112.91 115.19 3mkq h THR 728 Ca 0.31 -2.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.29 3mkq h THR 728 Cb 0.69 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 3mkq h THR 728 CO -0.09 0.66 0.04 0.25 0.37 0.00 0.00 175.52 176.75 3mkq h LEU 729 N 0.40 0.75 0.54 2.58 6.46 0.44 -1.96 115.31 124.53 3mkq h LEU 729 Ca -0.07 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.40 3mkq h LEU 729 Cb 1.46 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 3mkq h LEU 729 CO 0.16 0.85 -0.40 0.00 -0.62 0.00 0.00 178.44 178.42 3mkq h ALA 730 N 0.93 -0.97 -0.90 1.25 0.00 -1.01 0.58 119.26 119.15 3mkq h ALA 730 Ca 0.13 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.07 3mkq h ALA 730 Cb 0.44 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 3mkq h ALA 730 CO 0.02 -1.07 0.44 0.87 0.00 0.00 0.00 179.25 179.50 3mkq h LYS 731 N -0.92 0.48 -0.35 0.00 1.57 -1.47 0.42 116.57 116.30 3mkq h LYS 731 Ca -0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3mkq h LYS 731 Cb 0.78 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3mkq h LYS 731 CO 0.02 0.31 0.19 -0.44 -0.57 0.00 0.00 179.45 178.96 3mkq h ASP 732 N 0.49 0.44 -0.90 0.86 5.19 -0.51 -1.67 116.42 120.32 3mkq h ASP 732 Ca 0.55 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.88 3mkq h ASP 732 Cb 0.98 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.33 3mkq h ASP 732 CO -0.48 0.41 0.60 0.00 -3.12 0.00 0.00 179.24 176.65 3mkq h ALA 733 N 1.05 1.38 -0.46 3.45 0.00 0.42 -1.09 119.26 124.01 3mkq h ALA 733 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3mkq h ALA 733 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3mkq h ALA 733 CO -0.02 0.57 0.13 0.93 0.00 0.00 0.00 179.25 180.86 3mkq h GLU 734 N 1.20 0.73 -0.45 0.00 5.08 -0.21 0.84 114.58 121.77 3mkq h GLU 734 Ca 0.34 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3mkq h GLU 734 Cb -0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3mkq h GLU 734 CO -0.08 0.71 0.22 1.15 -1.00 0.00 0.00 179.01 180.01 3mkq h THR 735 N 0.61 1.15 -0.04 1.13 2.02 -0.61 -1.66 112.91 115.52 3mkq h THR 735 Ca 0.15 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3mkq h THR 735 Cb 0.29 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3mkq h THR 735 CO -0.00 0.17 0.00 0.41 0.37 0.00 0.00 175.52 176.47 3mkq n THR 736 N -4.40 0.03 -0.95 3.16 -1.04 -0.48 -4.91 114.28 105.70 3mkq n THR 736 Ca 0.03 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3mkq n THR 736 Cb 0.11 0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3mkq n THR 736 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mkq n GLY 737 N 1.13 0.97 2.86 3.41 0.00 -0.11 -4.91 105.19 108.54 3mkq n GLY 737 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3mkq n GLY 737 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mkq n LYS 738 N -2.00 2.20 -0.14 1.61 4.76 0.27 -4.73 118.16 120.14 3mkq n LYS 738 Ca 0.00 -2.10 -0.00 0.00 -2.87 0.00 0.00 58.31 53.33 3mkq n LYS 738 Cb 0.00 -3.00 0.25 0.00 -1.84 0.00 0.00 35.03 30.45 3mkq n LYS 738 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 3mkq h PHE 739 N 6.84 0.82 -0.14 2.13 0.05 -1.91 -2.07 116.94 122.66 3mkq h PHE 739 Ca 0.52 -0.02 -0.05 0.00 3.82 0.00 0.00 57.97 62.23 3mkq h PHE 739 Cb 0.58 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 38.26 3mkq h PHE 739 CO 1.44 0.60 -0.11 -0.91 -0.18 0.00 0.00 178.31 179.14 3mkq h ASN 740 N 0.84 0.34 -0.19 2.17 4.21 -1.95 -2.45 115.58 118.55 3mkq h ASN 740 Ca 0.21 -0.46 0.03 0.00 1.21 0.00 0.00 56.30 57.29 3mkq h ASN 740 Cb 0.07 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 3mkq h ASN 740 CO -0.03 0.73 0.01 0.25 -1.29 0.00 0.00 177.43 177.09 3mkq h LEU 741 N -0.04 -0.06 -0.42 1.61 5.85 -1.94 -1.98 115.31 118.33 3mkq h LEU 741 Ca 0.03 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3mkq h LEU 741 Cb 0.62 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3mkq h LEU 741 CO 0.03 -0.00 -0.06 0.00 -0.34 0.00 0.00 178.44 178.07 3mkq h ALA 742 N 1.16 0.33 -0.17 1.25 0.00 -1.37 0.21 119.26 120.67 3mkq h ALA 742 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3mkq h ALA 742 Cb 0.11 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mkq h ALA 742 CO -0.15 -0.43 0.11 0.35 0.00 0.00 0.00 179.25 179.14 3mkq h PHE 743 N 0.05 0.22 -0.49 0.00 3.57 -1.13 -0.45 116.94 118.71 3mkq h PHE 743 Ca 0.21 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3mkq h PHE 743 Cb 0.31 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3mkq h PHE 743 CO -0.33 0.15 0.17 -0.91 -2.23 0.00 0.00 178.31 175.17 3mkq h ASN 744 N 0.22 0.65 0.28 0.41 2.35 -0.69 0.14 115.58 118.94 3mkq h ASN 744 Ca 0.06 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3mkq h ASN 744 Cb -0.01 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3mkq h ASN 744 CO -0.01 0.61 -0.14 0.00 -1.65 0.00 0.00 177.43 176.24 3mkq h ALA 745 N 1.49 -0.38 -0.69 -0.83 0.00 -0.14 -1.80 119.26 116.90 3mkq h ALA 745 Ca 0.17 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3mkq h ALA 745 Cb 0.18 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3mkq h ALA 745 CO -0.01 -0.62 0.34 1.88 0.00 0.00 0.00 179.25 180.84 3mkq h TYR 746 N -0.58 0.61 0.50 0.00 0.99 -0.78 -1.64 116.97 116.07 3mkq h TYR 746 Ca -0.04 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 3mkq h TYR 746 Cb 0.42 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 3mkq h TYR 746 CO -0.01 0.22 -0.36 2.35 -0.00 0.00 0.00 178.16 180.37 3mkq h TRP 747 N 0.58 -0.97 -0.26 4.88 2.91 -0.54 0.12 115.95 122.68 3mkq h TRP 747 Ca 0.34 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.41 3mkq h TRP 747 Cb 0.35 0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 29.35 3mkq h TRP 747 CO -0.11 -0.51 0.18 0.82 -1.03 0.00 0.00 178.44 177.79 3mkq h ILE 748 N -0.82 0.92 0.00 2.65 2.04 -1.24 0.41 117.51 121.47 3mkq h ILE 748 Ca -0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3mkq h ILE 748 Cb 0.67 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3mkq h ILE 748 CO 0.03 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.20 3mkq h ALA 749 N 1.87 1.00 0.00 1.87 0.00 -0.99 -3.46 119.26 119.54 3mkq h ALA 749 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mkq h ALA 749 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mkq h ALA 749 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3mkq n GLY 750 N 0.12 0.65 2.99 0.00 0.00 0.14 -4.89 105.19 104.21 3mkq n GLY 750 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3mkq n GLY 750 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mkq n ASP 751 N 0.00 4.28 -0.13 1.61 2.03 0.31 -4.77 116.55 119.88 3mkq n ASP 751 Ca 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 54.79 52.38 3mkq n ASP 751 Cb 0.00 -1.67 0.04 0.00 -0.72 0.00 0.00 41.12 38.77 3mkq n ASP 751 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3mkq h ILE 752 N 4.44 0.88 -0.80 5.18 6.09 -1.91 -1.12 117.51 130.26 3mkq h ILE 752 Ca 0.52 -0.11 0.08 0.00 -1.37 0.00 0.00 64.86 63.98 3mkq h ILE 752 Cb 0.71 0.52 -0.05 0.00 0.47 0.00 0.00 36.82 38.47 3mkq h ILE 752 CO 1.74 0.06 0.52 1.56 -3.07 0.00 0.00 178.15 178.96 3mkq h GLN 753 N 0.33 0.78 -0.23 2.19 1.08 -1.97 0.25 115.11 117.55 3mkq h GLN 753 Ca 0.20 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.22 3mkq h GLN 753 Cb 0.18 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3mkq h GLN 753 CO -0.19 0.51 -0.39 0.78 -0.95 0.00 0.00 178.83 178.59 3mkq h GLY 754 N 0.80 0.72 1.00 3.46 0.00 -1.73 -2.46 103.07 104.86 3mkq h GLY 754 Ca 0.36 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3mkq h GLY 754 CO -0.13 0.75 0.25 0.00 0.00 0.00 0.00 176.54 177.40 3mkq h ALA 755 N 0.63 0.81 0.30 3.60 0.00 -0.18 -1.78 119.26 122.64 3mkq h ALA 755 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3mkq h ALA 755 Cb 0.98 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mkq h ALA 755 CO 0.09 0.42 -0.18 -0.22 0.00 0.00 0.00 179.25 179.36 3mkq h LYS 756 N 0.87 -0.44 -0.49 0.00 3.64 -0.52 -2.29 116.57 117.34 3mkq h LYS 756 Ca 0.21 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3mkq h LYS 756 Cb 0.20 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3mkq h LYS 756 CO -0.02 -0.29 0.33 -0.44 -2.27 0.00 0.00 179.45 176.76 3mkq h ASP 757 N -0.45 0.48 0.16 4.20 3.32 -1.34 -1.02 116.42 121.77 3mkq h ASP 757 Ca -0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3mkq h ASP 757 Cb 0.37 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3mkq h ASP 757 CO 0.04 0.33 -0.10 0.25 -1.72 0.00 0.00 179.24 178.04 3mkq h LEU 758 N 0.56 -0.25 -1.07 1.55 6.46 -0.92 0.34 115.31 121.97 3mkq h LEU 758 Ca 0.20 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.04 3mkq h LEU 758 Cb 0.10 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 3mkq h LEU 758 CO -0.05 -0.16 0.62 -0.07 -0.62 0.00 0.00 178.44 178.16 3mkq h LEU 759 N -0.26 0.98 -0.31 2.25 4.07 -0.80 -2.51 115.31 118.73 3mkq h LEU 759 Ca -0.01 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 3mkq h LEU 759 Cb 0.22 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3mkq h LEU 759 CO 0.01 0.63 -0.28 0.40 -1.08 0.00 0.00 178.44 178.12 3mkq h ILE 760 N 1.11 1.29 0.00 1.22 2.04 -0.74 -0.42 117.51 122.01 3mkq h ILE 760 Ca 0.41 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3mkq h ILE 760 Cb 0.18 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3mkq h ILE 760 CO -0.16 0.47 0.00 0.11 0.00 0.00 0.00 178.15 178.57 3mkq h LYS 761 N 0.51 0.00 -0.65 2.37 1.57 -0.51 0.19 116.57 120.04 3mkq h LYS 761 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3mkq h LYS 761 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3mkq h LYS 761 CO 0.07 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.38 3mkq n SER 762 N -2.56 4.23 -2.69 0.86 7.64 -0.99 -4.95 113.62 115.17 3mkq n SER 762 Ca -0.02 -2.22 -0.20 0.00 1.01 0.00 0.00 58.87 57.44 3mkq n SER 762 Cb 0.07 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 3mkq n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mkq n GLN 763 N 1.27 -3.00 -2.76 1.43 3.00 0.66 -4.89 117.38 113.09 3mkq n GLN 763 Ca 0.24 0.89 -0.37 0.00 -0.01 0.00 0.00 57.00 57.75 3mkq n GLN 763 Cb 0.73 -5.62 0.00 0.00 0.00 0.00 0.00 30.24 25.35 3mkq n GLN 763 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mkq n ARG 764 N -3.40 4.75 -0.19 -1.09 1.74 -0.20 -4.86 116.66 113.41 3mkq n ARG 764 Ca -0.17 -4.72 -0.07 0.00 -0.77 0.00 0.00 57.85 52.11 3mkq n ARG 764 Cb 0.65 -2.41 0.02 0.00 -1.02 0.00 0.00 32.46 29.70 3mkq n ARG 764 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3mkq h PHE 765 N 3.94 0.78 -0.62 -1.55 -1.00 -1.89 -1.82 116.94 114.79 3mkq h PHE 765 Ca 0.40 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.15 3mkq h PHE 765 Cb 0.39 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 3mkq h PHE 765 CO 1.17 0.60 0.40 0.66 -1.61 0.00 0.00 178.31 179.54 3mkq h SER 766 N 0.73 0.72 -0.30 2.17 4.64 -1.93 0.17 113.55 119.75 3mkq h SER 766 Ca 0.19 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3mkq h SER 766 Cb 0.12 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3mkq h SER 766 CO -0.02 0.53 0.00 -0.33 -0.87 0.00 0.00 176.83 176.13 3mkq h GLU 767 N 0.84 0.63 -0.59 4.77 5.08 -1.94 -0.22 114.58 123.16 3mkq h GLU 767 Ca 0.23 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3mkq h GLU 767 Cb -0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3mkq h GLU 767 CO -0.05 0.65 0.17 0.00 -1.00 0.00 0.00 179.01 178.78 3mkq h ALA 768 N 1.40 0.77 -0.70 3.43 0.00 -0.54 -1.50 119.26 122.13 3mkq h ALA 768 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3mkq h ALA 768 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3mkq h ALA 768 CO 0.01 0.46 0.40 0.00 0.00 0.00 0.00 179.25 180.12 3mkq h ALA 769 N 1.04 0.90 -0.10 0.00 0.00 0.12 0.14 119.26 121.35 3mkq h ALA 769 Ca 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mkq h ALA 769 Cb 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mkq h ALA 769 CO -0.00 0.39 0.04 0.74 0.00 0.00 0.00 179.25 180.43 3mkq h PHE 770 N 0.96 0.15 -0.37 0.00 -1.00 -0.80 -1.03 116.94 114.85 3mkq h PHE 770 Ca 0.25 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.06 3mkq h PHE 770 Cb 0.01 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 3mkq h PHE 770 CO -0.01 0.24 0.16 1.25 -1.61 0.00 0.00 178.31 178.34 3mkq h LEU 771 N 0.02 0.20 0.15 1.54 5.85 -1.04 0.61 115.31 122.65 3mkq h LEU 771 Ca 0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3mkq h LEU 771 Cb 0.14 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3mkq h LEU 771 CO -0.00 0.16 -0.16 1.23 -0.34 0.00 0.00 178.44 179.33 3mkq h GLY 772 N 0.33 -0.33 1.79 3.75 0.00 -0.51 -1.88 103.07 106.23 3mkq h GLY 772 Ca 0.17 0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 3mkq h GLY 772 CO -0.14 -0.15 -0.68 1.48 0.00 0.00 0.00 176.54 177.04 3mkq h SER 773 N -0.34 0.25 -0.12 0.19 4.64 -1.06 0.14 113.55 117.24 3mkq h SER 773 Ca 0.00 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 3mkq h SER 773 Cb 0.32 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3mkq h SER 773 CO -0.04 0.85 -0.33 0.74 -0.87 0.00 0.00 176.83 177.18 3mkq h THR 774 N 0.15 1.28 -1.21 2.95 2.02 -0.80 -3.07 112.91 114.23 3mkq h THR 774 Ca -0.02 -1.45 -0.65 0.00 0.77 0.00 0.00 66.41 65.06 3mkq h THR 774 Cb 1.22 1.42 -0.34 0.00 -1.74 0.00 0.00 68.15 68.71 3mkq h THR 774 CO 0.10 0.47 0.26 -1.22 0.37 0.00 0.00 175.52 175.50 3mkq n TYR 775 N -4.07 3.08 -3.85 3.16 4.02 -0.71 -4.97 117.16 113.82 3mkq n TYR 775 Ca -0.01 -2.69 -0.25 0.00 -0.01 0.00 0.00 57.90 54.94 3mkq n TYR 775 Cb 0.47 -0.93 0.01 0.00 -0.02 0.00 0.00 39.34 38.88 3mkq n TYR 775 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mkq n GLY 776 N -0.73 -0.50 0.20 2.72 0.00 -1.16 -4.86 105.19 100.85 3mkq n GLY 776 Ca 0.53 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.83 3mkq n GLY 776 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mkq h LEU 777 N -0.09 0.00 0.00 0.99 3.38 -1.24 -3.49 115.31 114.86 3mkq h LEU 777 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3mkq h LEU 777 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3mkq h LEU 777 CO 0.28 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.75 3mkq n GLY 778 N 0.35 3.12 0.23 0.83 0.00 -1.26 -4.68 105.19 103.78 3mkq n GLY 778 Ca 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 46.02 44.46 3mkq n GLY 778 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mkq h ASP 779 N 0.00 0.23 -0.35 1.61 5.19 -1.97 0.44 116.42 121.56 3mkq h ASP 779 Ca 0.00 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3mkq h ASP 779 Cb 0.00 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 3mkq h ASP 779 CO 0.00 0.14 0.20 0.78 -3.12 0.00 0.00 179.24 177.23 3mkq h ASN 780 N 0.41 0.31 0.52 6.45 2.35 -1.99 0.50 115.58 124.14 3mkq h ASN 780 Ca 0.30 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3mkq h ASN 780 Cb 0.37 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3mkq h ASN 780 CO -0.30 0.22 -0.43 -0.33 -1.65 0.00 0.00 177.43 174.95 3mkq h GLU 781 N 0.40 -0.90 -0.96 0.81 4.39 -1.58 -2.02 114.58 114.71 3mkq h GLU 781 Ca 0.14 0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.00 3mkq h GLU 781 Cb 0.02 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 3mkq h GLU 781 CO -0.08 -0.60 0.60 0.28 -1.16 0.00 0.00 179.01 178.05 3mkq h VAL 782 N -0.94 0.99 -0.40 3.13 2.07 0.17 -1.68 116.25 119.60 3mkq h VAL 782 Ca -0.06 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3mkq h VAL 782 Cb 0.80 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3mkq h VAL 782 CO -0.01 0.19 0.07 0.78 0.02 0.00 0.00 177.57 178.62 3mkq h ASN 783 N 1.02 0.55 -0.28 0.57 2.35 0.32 -1.84 115.58 118.26 3mkq h ASN 783 Ca 0.45 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 3mkq h ASN 783 Cb 0.33 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3mkq h ASN 783 CO -0.22 0.57 -0.02 0.44 -1.65 0.00 0.00 177.43 176.55 3mkq h ASP 784 N 0.58 0.60 -0.50 5.81 3.32 -0.57 0.12 116.42 125.78 3mkq h ASP 784 Ca 0.13 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3mkq h ASP 784 Cb 0.26 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3mkq h ASP 784 CO 0.00 0.68 -0.00 0.40 -1.72 0.00 0.00 179.24 178.60 3mkq h ILE 785 N 0.59 1.26 -0.50 0.35 2.04 -1.25 -2.04 117.51 117.97 3mkq h ILE 785 Ca 0.12 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 3mkq h ILE 785 Cb 0.41 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3mkq h ILE 785 CO 0.02 0.38 0.18 0.58 0.00 0.00 0.00 178.15 179.30 3mkq h VAL 786 N 0.75 1.22 -0.73 1.67 2.07 -0.68 0.14 116.25 120.68 3mkq h VAL 786 Ca 0.14 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 67.02 3mkq h VAL 786 Cb 0.52 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3mkq h VAL 786 CO 0.03 0.26 0.42 0.74 0.02 0.00 0.00 177.57 179.04 3mkq h THR 787 N 0.67 0.97 -0.30 2.57 2.02 -0.59 0.15 112.91 118.40 3mkq h THR 787 Ca 0.16 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 3mkq h THR 787 Cb 0.23 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3mkq h THR 787 CO -0.01 0.14 -0.46 0.11 0.37 0.00 0.00 175.52 175.67 3mkq h LYS 788 N 0.76 0.78 -0.79 6.66 1.57 -0.93 -0.70 116.57 123.92 3mkq h LYS 788 Ca 0.33 -0.44 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3mkq h LYS 788 Cb 0.22 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3mkq h LYS 788 CO -0.19 1.07 0.50 2.35 -0.57 0.00 0.00 179.45 182.61 3mkq h TRP 789 N 0.62 0.94 -0.13 -1.35 7.01 0.00 0.00 115.95 123.05 3mkq h TRP 789 Ca 0.04 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 60.87 3mkq h TRP 789 Cb 1.03 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.78 3mkq h TRP 789 CO 0.06 0.55 -0.70 0.87 -2.79 0.00 0.00 178.44 176.43 3mkq h LYS 790 N 0.98 0.57 -0.58 2.65 1.57 -0.54 -2.28 116.57 118.95 3mkq h LYS 790 Ca 0.31 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3mkq h LYS 790 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3mkq h LYS 790 CO -0.11 1.06 -0.01 0.93 -0.57 0.00 0.00 179.45 180.75 3mkq h GLU 791 N 0.40 1.02 -0.66 3.15 5.08 -0.66 -2.31 114.58 120.61 3mkq h GLU 791 Ca -0.03 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3mkq h GLU 791 Cb 1.28 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3mkq h GLU 791 CO 0.13 1.02 0.35 -0.97 -1.00 0.00 0.00 179.01 178.53 3mkq h ASN 792 N 0.91 0.83 -0.49 1.42 -0.73 -0.96 -1.19 115.58 115.37 3mkq h ASN 792 Ca 0.16 -0.11 0.03 0.00 1.87 0.00 0.00 56.30 58.26 3mkq h ASN 792 Cb 0.56 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.90 3mkq h ASN 792 CO 0.03 0.70 0.27 -0.07 -0.37 0.00 0.00 177.43 177.99 3mkq h LEU 793 N 0.90 0.41 -0.90 0.34 4.07 -1.15 -1.78 115.31 117.21 3mkq h LEU 793 Ca 0.23 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.14 3mkq h LEU 793 Cb 0.07 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3mkq h LEU 793 CO -0.03 0.29 0.13 0.40 -1.08 0.00 0.00 178.44 178.15 3mkq h ILE 794 N 0.53 1.24 0.00 1.22 2.04 -1.08 -0.17 117.51 121.30 3mkq h ILE 794 Ca 0.21 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3mkq h ILE 794 Cb 0.07 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3mkq h ILE 794 CO -0.12 0.34 -0.06 0.25 0.00 0.00 0.00 178.15 178.56 3mkq h LEU 795 N 0.91 0.00 -2.70 1.44 5.85 -0.54 -0.77 115.31 119.50 3mkq h LEU 795 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3mkq h LEU 795 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3mkq h LEU 795 CO 0.00 0.06 0.00 0.59 -0.34 0.00 0.00 178.44 178.75 3mkq n ASN 796 N -3.35 3.93 0.00 1.25 4.13 -0.67 -4.95 115.26 115.60 3mkq n ASN 796 Ca -0.01 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.25 3mkq n ASN 796 Cb 0.22 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 3mkq n ASN 796 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mkq n GLY 797 N 1.67 0.90 2.54 7.41 0.00 -0.30 -4.93 105.19 112.48 3mkq n GLY 797 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3mkq n GLY 797 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mkq n LYS 798 N -2.15 3.27 -0.27 1.61 5.02 -0.16 -4.71 118.16 120.78 3mkq n LYS 798 Ca 0.00 -2.94 0.02 0.00 -2.02 0.00 0.00 58.31 53.38 3mkq n LYS 798 Cb 0.00 -2.32 0.15 0.00 -0.02 0.00 0.00 35.03 32.85 3mkq n LYS 798 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3mkq h ASN 799 N 3.54 0.55 -0.85 4.39 -0.26 -1.86 -0.70 115.58 120.39 3mkq h ASN 799 Ca 0.51 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 56.29 3mkq h ASN 799 Cb 0.50 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.68 3mkq h ASN 799 CO 1.12 0.31 0.46 0.71 -1.06 0.00 0.00 177.43 178.97 3mkq h THR 800 N 0.68 1.25 -0.15 2.81 1.35 -1.96 -2.25 112.91 114.63 3mkq h THR 800 Ca 0.38 -0.62 -0.20 0.00 -0.55 0.00 0.00 66.41 65.42 3mkq h THR 800 Cb 0.39 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 3mkq h THR 800 CO -0.27 0.28 -0.70 0.58 -0.25 0.00 0.00 175.52 175.16 3mkq h VAL 801 N 1.19 1.32 -0.99 6.82 2.07 -1.84 -3.14 116.25 121.67 3mkq h VAL 801 Ca 0.30 -1.97 0.15 0.00 0.82 0.00 0.00 66.70 66.00 3mkq h VAL 801 Cb 0.03 1.95 -0.09 0.00 -1.52 0.00 0.00 31.29 31.66 3mkq h VAL 801 CO -0.05 0.61 0.62 -1.28 0.02 0.00 0.00 177.57 177.50 3mkq h SER 802 N 0.45 0.83 1.37 0.57 0.87 -0.63 -1.30 113.55 115.71 3mkq h SER 802 Ca -0.03 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3mkq h SER 802 Cb 1.29 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3mkq h SER 802 CO 0.14 0.38 -0.05 -0.62 -0.53 0.00 0.00 176.83 176.14 3mkq n GLU 803 N -4.67 0.24 0.00 2.24 1.02 -0.89 -3.33 120.64 115.24 3mkq n GLU 803 Ca 0.21 0.18 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3mkq n GLU 803 Cb 0.47 -1.76 0.40 0.00 -0.02 0.00 0.00 31.44 30.53 3mkq n GLU 803 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mkq n ARG 804 N -2.17 0.58 -2.71 3.49 1.74 -0.50 -4.85 116.66 112.25 3mkq n ARG 804 Ca 0.06 -0.31 -0.43 0.00 -0.77 0.00 0.00 57.85 56.40 3mkq n ARG 804 Cb 0.42 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3mkq n ARG 804 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mkq s VAL 805 N -2.63 4.70 0.64 1.55 1.01 -1.17 -5.03 120.40 119.47 3mkq s VAL 805 Ca 0.22 1.91 -0.10 0.00 0.00 0.00 0.00 61.98 64.00 3mkq s VAL 805 Cb 0.19 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3mkq s VAL 805 CO 0.55 -0.18 1.03 0.00 0.00 0.00 0.00 175.10 176.50 3mkq n GLY 807 N -2.81 1.13 0.36 0.00 0.00 -1.26 -4.91 105.19 97.69 3mkq n GLY 807 Ca 0.06 -1.96 0.18 0.00 0.00 0.00 0.00 46.02 44.30 3mkq n GLY 807 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mkq h ALA 808 N -0.78 1.89 0.16 4.61 0.00 -1.89 -2.64 119.26 120.61 3mkq h ALA 808 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3mkq h ALA 808 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3mkq h ALA 808 CO 0.00 -0.43 -0.20 0.93 0.00 0.00 0.00 179.25 179.55 3mkq h GLU 809 N 0.00 -0.40 0.00 0.00 3.07 -1.96 -2.26 114.58 113.04 3mkq h GLU 809 Ca 0.12 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3mkq h GLU 809 Cb 0.71 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3mkq h GLU 809 CO -0.00 -0.26 0.00 0.41 -1.40 0.00 0.00 179.01 177.75 3mkq n GLY 810 N -1.33 -0.76 3.63 -3.84 0.00 -0.99 -4.64 105.19 97.27 3mkq n GLY 810 Ca -0.07 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3mkq n GLY 810 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mkq s LEU 811 N -3.53 3.92 -0.32 0.99 1.43 -0.85 -4.92 118.68 115.39 3mkq s LEU 811 Ca 0.01 1.42 -0.43 0.00 -1.03 0.00 0.00 54.13 54.11 3mkq s LEU 811 Cb 0.04 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.55 3mkq s LEU 811 CO 0.13 -1.11 1.60 -0.81 0.23 0.00 0.00 176.35 176.39 3mkq n PRO 812 N 7.38 0.58 -3.97 1.29 -0.04 -1.26 -2.71 135.00 136.27 3mkq n PRO 812 Ca 0.16 0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 63.45 3mkq n PRO 812 Cb 0.46 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.13 3mkq n PRO 812 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mkq n GLY 813 N 3.78 -0.97 0.00 0.55 0.00 -1.26 -5.20 105.19 102.09 3mkq n GLY 813 Ca 0.27 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3mkq n GLY 813 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18