#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 2.33 -0.71 -0.35 1.43 -1.26 -4.99 118.68 115.13 3mkq s LEU 3 Ca 0.00 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3mkq s LEU 3 Cb 0.00 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3mkq s LEU 3 CO 0.00 -0.01 2.90 -0.67 0.23 0.00 0.00 176.35 178.80 3mkq n ASP 4 N 4.65 6.86 -4.67 2.29 -0.08 0.89 -4.97 116.55 121.52 3mkq n ASP 4 Ca -0.20 -2.95 -0.51 0.00 -1.51 0.00 0.00 54.79 49.62 3mkq n ASP 4 Cb 0.50 -1.35 -0.05 0.00 2.34 0.00 0.00 41.12 42.56 3mkq n ASP 4 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3mkq n ILE 5 N 1.78 0.26 -4.29 5.18 2.08 -0.95 -4.22 119.36 119.20 3mkq n ILE 5 Ca 0.55 -0.05 -0.20 0.00 0.56 0.00 0.00 62.75 63.61 3mkq n ILE 5 Cb 0.52 -1.42 -0.16 0.00 -0.75 0.00 0.00 39.64 37.84 3mkq n ILE 5 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3mkq s LYS 6 N 2.51 0.87 -0.85 0.38 1.02 0.13 -4.96 119.74 118.83 3mkq s LYS 6 Ca 0.89 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 56.44 3mkq s LYS 6 Cb -0.84 -0.83 0.07 0.00 -0.52 0.00 0.00 37.83 35.71 3mkq s LYS 6 CO 0.51 0.04 1.21 0.21 -0.92 0.00 0.00 175.35 176.40 3mkq s LYS 7 N 0.43 3.39 0.21 1.68 2.20 -1.26 -0.02 119.74 126.37 3mkq s LYS 7 Ca -0.06 -1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 54.51 3mkq s LYS 7 Cb -0.10 -4.73 0.17 0.00 -1.51 0.00 0.00 37.83 31.66 3mkq s LYS 7 CO 0.00 -1.99 1.53 0.00 -0.36 0.00 0.00 175.35 174.54 3mkq h THR 8 N 6.19 1.33 -1.82 3.43 1.03 -1.40 -3.47 112.91 118.21 3mkq h THR 8 Ca -0.03 -1.81 0.00 0.00 -0.01 0.00 0.00 66.41 64.56 3mkq h THR 8 Cb 1.04 1.81 -0.23 0.00 -1.07 0.00 0.00 68.15 69.70 3mkq h THR 8 CO 1.26 0.55 0.28 0.12 -0.01 0.00 0.00 175.52 177.73 3mkq s PHE 9 N -3.96 -0.63 0.03 0.00 5.99 -0.95 -4.89 117.98 113.56 3mkq s PHE 9 Ca -0.06 1.47 0.02 0.00 0.00 0.00 0.00 56.93 58.36 3mkq s PHE 9 Cb 0.12 0.33 -0.02 0.00 0.00 0.00 0.00 43.02 43.45 3mkq s PHE 9 CO 0.83 -0.35 -0.07 0.45 -0.00 0.00 0.00 175.22 176.08 3mkq s SER 10 N 0.06 0.83 -0.08 6.13 0.15 -1.26 -0.28 113.70 119.24 3mkq s SER 10 Ca -0.00 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.20 3mkq s SER 10 Cb -0.04 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.29 3mkq s SER 10 CO -0.01 -0.10 0.20 0.21 1.20 0.00 0.00 173.24 174.75 3mkq s ASN 11 N -1.06 -0.21 -0.04 5.45 2.47 -0.83 -5.03 114.94 115.70 3mkq s ASN 11 Ca -0.05 0.42 -0.14 0.00 0.42 0.00 0.00 52.86 53.51 3mkq s ASN 11 Cb -0.07 0.37 -0.05 0.00 -1.45 0.00 0.00 41.25 40.05 3mkq s ASN 11 CO 0.00 -0.11 0.38 -0.13 -3.72 0.00 0.00 177.10 173.53 3mkq s ARG 12 N 0.60 3.96 0.03 0.43 1.81 -1.26 -1.97 118.95 122.54 3mkq s ARG 12 Ca -0.04 0.34 -0.17 0.00 -1.72 0.00 0.00 55.73 54.15 3mkq s ARG 12 Cb -0.05 -3.26 0.06 0.00 -0.45 0.00 0.00 34.95 31.24 3mkq s ARG 12 CO -0.03 0.60 0.76 -1.13 -0.68 0.00 0.00 175.30 174.82 3mkq n SER 13 N 2.20 -0.87 -4.75 0.23 3.41 -0.04 -4.89 113.62 108.91 3mkq n SER 13 Ca -0.13 -1.29 -0.32 0.00 -0.26 0.00 0.00 58.87 56.86 3mkq n SER 13 Cb 0.52 1.37 0.08 0.00 -0.26 0.00 0.00 64.21 65.93 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 -2.72 4.48 -0.38 4.04 1.01 -1.26 -2.98 116.67 118.85 3mkq s ASP 14 Ca 0.18 2.04 -0.45 0.00 0.71 0.00 0.00 52.55 55.02 3mkq s ASP 14 Cb -0.01 -2.55 -0.20 0.00 1.01 0.00 0.00 42.92 41.17 3mkq s ASP 14 CO 0.01 -2.06 1.51 -1.14 0.21 0.00 0.00 175.17 173.70 3mkq n ARG 15 N -3.03 0.11 -3.59 8.23 0.63 -0.41 -4.39 116.66 114.20 3mkq n ARG 15 Ca 0.11 0.04 -0.38 0.00 -0.92 0.00 0.00 57.85 56.70 3mkq n ARG 15 Cb 0.52 -1.55 -0.10 0.00 0.45 0.00 0.00 32.46 31.77 3mkq n ARG 15 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3mkq s VAL 16 N 2.47 5.31 -0.13 5.15 0.11 -0.75 -0.50 120.40 132.05 3mkq s VAL 16 Ca 1.02 0.22 0.20 0.00 -2.93 0.00 0.00 61.98 60.48 3mkq s VAL 16 Cb -1.42 -3.54 -0.18 0.00 -1.53 0.00 0.00 36.38 29.71 3mkq s VAL 16 CO 0.76 0.27 0.66 0.29 -3.33 0.00 0.00 175.10 173.75 3mkq n LYS 17 N 4.85 0.64 -4.11 1.54 4.76 0.14 -4.06 118.16 121.93 3mkq n LYS 17 Ca -0.14 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.21 3mkq n LYS 17 Cb 0.52 -1.69 -0.12 0.00 -1.84 0.00 0.00 35.03 31.90 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 -4.73 0.59 -0.11 0.72 0.00 -1.02 -4.52 107.32 98.25 3mkq s GLY 18 Ca -0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.69 3mkq s GLY 18 CO 0.84 -0.84 0.46 -1.50 0.00 0.00 0.00 173.10 172.06 3mkq s ILE 19 N -1.27 0.02 -0.11 0.90 2.07 -1.26 -0.51 121.20 121.04 3mkq s ILE 19 Ca -0.07 -0.14 -0.23 0.00 -1.41 0.00 0.00 60.65 58.79 3mkq s ILE 19 Cb -0.10 -0.71 0.05 0.00 0.13 0.00 0.00 42.46 41.84 3mkq s ILE 19 CO 0.01 -0.08 0.57 -0.62 -1.91 0.00 0.00 174.94 172.91 3mkq s ASP 20 N -0.46 -0.54 0.02 4.50 2.15 -0.66 -4.60 116.67 117.08 3mkq s ASP 20 Ca -0.06 0.77 -0.07 0.00 0.43 0.00 0.00 52.55 53.62 3mkq s ASP 20 Cb -0.03 0.75 -0.05 0.00 -0.30 0.00 0.00 42.92 43.29 3mkq s ASP 20 CO 0.03 -0.42 0.29 -0.36 -0.17 0.00 0.00 175.17 174.55 3mkq s PHE 21 N -0.63 3.59 0.27 -5.34 0.40 -1.26 -0.11 117.98 114.90 3mkq s PHE 21 Ca -0.07 0.63 -0.27 0.00 -0.60 0.00 0.00 56.93 56.62 3mkq s PHE 21 Cb -0.03 -2.03 -0.09 0.00 0.51 0.00 0.00 43.02 41.38 3mkq s PHE 21 CO 0.05 0.60 0.91 -1.58 0.70 0.00 0.00 175.22 175.90 3mkq s HIS 22 N -1.30 3.83 0.33 0.36 5.65 -0.56 -4.82 115.29 118.78 3mkq s HIS 22 Ca 0.28 1.79 0.08 0.00 0.25 0.00 0.00 55.06 57.45 3mkq s HIS 22 Cb -0.13 -2.90 0.58 0.00 -1.18 0.00 0.00 32.58 28.94 3mkq s HIS 22 CO 0.16 0.35 1.78 -1.35 -0.65 0.00 0.00 174.74 175.03 3mkq h PRO 23 N 3.69 0.25 0.00 2.88 0.11 -1.98 -3.37 132.00 133.58 3mkq h PRO 23 Ca -0.46 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3mkq h PRO 23 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mkq h PRO 23 CO 0.66 0.53 0.00 0.25 -0.21 0.00 0.00 178.00 179.23 3mkq n THR 24 N -4.12 0.00 -4.23 -1.15 -2.24 -1.26 -4.92 114.28 96.35 3mkq n THR 24 Ca -0.01 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 3mkq n THR 24 Cb 0.39 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.53 2.16 0.00 -0.78 2.56 -1.26 -5.00 118.70 115.84 3mkq s GLU 25 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 54.97 53.86 3mkq s GLU 25 Cb 0.00 -2.29 -0.19 0.00 2.00 0.00 0.00 34.13 33.65 3mkq s GLU 25 CO 0.00 0.49 2.94 -2.30 -0.56 0.00 0.00 175.26 175.83 3mkq n PRO 26 N 0.49 1.58 -4.20 4.30 -0.02 -1.26 -4.37 135.00 131.51 3mkq n PRO 26 Ca -0.12 -0.71 -0.27 0.00 -2.02 0.00 0.00 63.50 60.38 3mkq n PRO 26 Cb 0.53 -1.77 -0.08 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.08 2.86 -0.03 6.00 0.51 -1.26 -1.84 118.94 126.27 3mkq s TRP 27 Ca 0.47 -0.13 0.02 0.00 -2.12 0.00 0.00 56.10 54.35 3mkq s TRP 27 Cb 0.23 -1.39 0.00 0.00 -0.81 0.00 0.00 33.47 31.50 3mkq s TRP 27 CO 0.00 0.51 -0.08 0.54 -0.51 0.00 0.00 176.95 177.41 3mkq s VAL 28 N -1.70 0.74 -0.04 4.03 0.11 -0.75 -1.50 120.40 121.28 3mkq s VAL 28 Ca 0.27 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3mkq s VAL 28 Cb -0.09 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3mkq s VAL 28 CO 0.19 0.24 0.07 -0.22 -3.33 0.00 0.00 175.10 172.04 3mkq s LEU 29 N 0.24 3.87 -0.02 2.54 2.96 0.85 -1.73 118.68 127.39 3mkq s LEU 29 Ca -0.04 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3mkq s LEU 29 Cb -0.09 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3mkq s LEU 29 CO 0.00 0.32 -0.03 0.42 -1.32 0.00 0.00 176.35 175.74 3mkq s THR 30 N -1.09 0.35 -0.11 3.68 -4.23 -0.31 -1.65 115.64 112.27 3mkq s THR 30 Ca 0.19 -0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 3mkq s THR 30 Cb -0.12 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.35 3mkq s THR 30 CO 0.10 0.14 -0.09 0.42 -0.54 0.00 0.00 174.62 174.65 3mkq s THR 31 N 0.43 3.44 0.32 3.99 -4.23 0.33 -1.33 115.64 118.57 3mkq s THR 31 Ca -0.05 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 3mkq s THR 31 Cb -0.08 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3mkq s THR 31 CO -0.01 0.54 0.20 -0.76 -0.54 0.00 0.00 174.62 174.05 3mkq s LEU 32 N -0.05 3.48 0.39 4.79 1.43 -0.25 0.23 118.68 128.70 3mkq s LEU 32 Ca -0.01 -0.56 0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3mkq s LEU 32 Cb -0.14 -2.03 0.77 0.00 0.03 0.00 0.00 46.19 44.83 3mkq s LEU 32 CO 0.03 -0.24 1.87 0.22 0.23 0.00 0.00 176.35 178.45 3mkq h TYR 33 N 1.45 0.04 0.00 0.29 3.20 -1.04 -1.75 116.97 119.16 3mkq h TYR 33 Ca -0.45 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3mkq h TYR 33 Cb 1.25 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3mkq h TYR 33 CO 0.58 0.34 0.00 0.66 -1.64 0.00 0.00 178.16 178.10 3mkq h SER 34 N 0.03 0.00 0.00 -2.11 4.64 -1.85 -3.03 113.55 111.23 3mkq h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mkq h SER 34 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3mkq h SER 34 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3mkq n GLY 35 N 0.03 0.96 3.80 -0.77 0.00 -1.02 -4.43 105.19 103.75 3mkq n GLY 35 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3mkq n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mkq s ARG 36 N -0.56 2.96 0.04 1.61 3.52 -1.26 -1.23 118.95 124.03 3mkq s ARG 36 Ca 0.00 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 55.00 3mkq s ARG 36 Cb 0.00 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3mkq s ARG 36 CO 0.00 0.56 -0.21 0.14 -0.81 0.00 0.00 175.30 174.98 3mkq s VAL 37 N -1.44 1.71 0.08 7.11 -7.23 0.21 -1.09 120.40 119.74 3mkq s VAL 37 Ca 0.30 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3mkq s VAL 37 Cb -0.12 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3mkq s VAL 37 CO 0.23 0.24 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.56 3mkq s GLU 38 N -1.13 0.74 -0.08 4.82 2.02 -0.44 -0.83 118.70 123.80 3mkq s GLU 38 Ca 0.08 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 54.06 3mkq s GLU 38 Cb -0.09 -0.45 0.01 0.00 0.10 0.00 0.00 34.13 33.70 3mkq s GLU 38 CO 0.02 0.07 -0.16 0.42 0.02 0.00 0.00 175.26 175.62 3mkq s ILE 39 N -2.15 1.45 -0.01 -1.63 1.01 -0.73 -1.16 121.20 117.98 3mkq s ILE 39 Ca 0.01 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3mkq s ILE 39 Cb -0.05 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3mkq s ILE 39 CO -0.00 0.43 -0.12 0.26 0.00 0.00 0.00 174.94 175.50 3mkq s TRP 40 N 0.55 1.10 -0.80 3.97 0.52 -0.71 -1.20 118.94 122.37 3mkq s TRP 40 Ca -0.16 -0.21 -0.20 0.00 0.02 0.00 0.00 56.10 55.54 3mkq s TRP 40 Cb -0.17 -0.71 0.10 0.00 -1.15 0.00 0.00 33.47 31.55 3mkq s TRP 40 CO 0.06 -0.02 1.05 1.21 0.02 0.00 0.00 176.95 179.26 3mkq s ASN 41 N -0.28 6.41 0.00 2.95 3.04 -0.25 -1.82 114.94 124.99 3mkq s ASN 41 Ca 0.05 -1.55 0.10 0.00 0.04 0.00 0.00 52.86 51.49 3mkq s ASN 41 Cb -0.05 -2.41 0.45 0.00 -1.54 0.00 0.00 41.25 37.70 3mkq s ASN 41 CO -0.00 -1.24 1.28 0.00 -3.04 0.00 0.00 177.10 174.09 3mkq n TYR 42 N 7.10 0.00 -0.00 0.43 0.18 -0.77 -0.70 117.16 123.40 3mkq n TYR 42 Ca 0.11 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.69 3mkq n TYR 42 Cb 0.47 -0.43 -0.14 0.00 -0.38 0.00 0.00 39.34 38.86 3mkq n TYR 42 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 3mkq n GLU 43 N -1.43 0.74 0.00 -3.48 2.13 -1.26 -4.23 120.64 113.12 3mkq n GLU 43 Ca 0.03 0.26 0.11 0.00 0.66 0.00 0.00 57.16 58.22 3mkq n GLU 43 Cb 0.10 -1.71 0.07 0.00 0.27 0.00 0.00 31.44 30.18 3mkq n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3mkq n THR 44 N -3.42 0.00 -1.37 6.31 -2.24 -1.07 -4.96 114.28 107.54 3mkq n THR 44 Ca -0.31 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 3mkq n THR 44 Cb 1.05 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 70.13 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 -0.68 -0.90 -4.11 -0.78 1.13 0.12 -5.00 117.38 107.16 3mkq n GLN 45 Ca 0.08 0.94 -0.35 0.00 -1.94 0.00 0.00 57.00 55.73 3mkq n GLN 45 Cb 0.40 -4.98 -0.11 0.00 0.11 0.00 0.00 30.24 25.65 3mkq n GLN 45 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3mkq s VAL 46 N -2.45 4.26 0.12 5.09 1.01 -1.14 -4.94 120.40 122.35 3mkq s VAL 46 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3mkq s VAL 46 Cb 0.00 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 3mkq s VAL 46 CO 0.00 0.44 1.21 -0.70 0.00 0.00 0.00 175.10 176.05 3mkq s GLU 47 N 0.70 4.46 -0.06 2.72 2.12 -1.26 -1.09 118.70 126.28 3mkq s GLU 47 Ca 0.01 1.83 -0.12 0.00 0.36 0.00 0.00 54.97 57.05 3mkq s GLU 47 Cb -0.14 -3.29 -0.30 0.00 0.26 0.00 0.00 34.13 30.66 3mkq s GLU 47 CO 0.02 -0.18 0.63 -0.39 -0.54 0.00 0.00 175.26 174.80 3mkq h VAL 48 N 4.13 0.95 -1.99 3.70 -1.51 -1.50 -3.47 116.25 116.57 3mkq h VAL 48 Ca -0.43 -2.48 0.08 0.00 -1.23 0.00 0.00 66.70 62.64 3mkq h VAL 48 Cb 1.21 2.75 -0.18 0.00 -2.13 0.00 0.00 31.29 32.94 3mkq h VAL 48 CO 0.78 0.83 0.49 0.00 -1.23 0.00 0.00 177.57 178.44 3mkq s ARG 49 N -2.55 0.76 -0.01 5.19 1.70 -1.21 -5.03 118.95 117.79 3mkq s ARG 49 Ca -0.17 -0.09 0.04 0.00 -0.47 0.00 0.00 55.73 55.04 3mkq s ARG 49 Cb 0.05 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 3mkq s ARG 49 CO 0.83 -0.29 -0.12 0.45 -1.08 0.00 0.00 175.30 175.09 3mkq s SER 50 N -1.86 1.39 -0.05 -2.89 0.15 -1.26 -1.78 113.70 107.40 3mkq s SER 50 Ca 0.01 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 3mkq s SER 50 Cb -0.01 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.17 3mkq s SER 50 CO -0.03 0.14 0.01 -0.63 1.20 0.00 0.00 173.24 173.93 3mkq s ILE 51 N -0.27 0.23 -0.80 6.45 1.01 -0.01 -5.00 121.20 122.82 3mkq s ILE 51 Ca 0.04 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 3mkq s ILE 51 Cb -0.05 -0.37 0.08 0.00 0.01 0.00 0.00 42.46 42.14 3mkq s ILE 51 CO -0.00 0.20 1.12 -1.58 0.00 0.00 0.00 174.94 174.67 3mkq s GLN 52 N 1.52 3.33 0.18 2.79 2.00 -1.26 -0.62 119.66 127.60 3mkq s GLN 52 Ca -0.03 -1.06 0.04 0.00 -2.00 0.00 0.00 55.36 52.31 3mkq s GLN 52 Cb -0.13 -4.58 0.06 0.00 0.80 0.00 0.00 33.01 29.15 3mkq s GLN 52 CO -0.03 -1.91 1.42 0.28 -0.50 0.00 0.00 175.29 174.56 3mkq h VAL 53 N 6.06 1.48 -1.83 1.34 2.07 -1.53 -3.49 116.25 120.37 3mkq h VAL 53 Ca -0.09 -2.51 0.29 0.00 0.82 0.00 0.00 66.70 65.20 3mkq h VAL 53 Cb 1.05 2.38 -0.10 0.00 -1.52 0.00 0.00 31.29 33.10 3mkq h VAL 53 CO 1.21 0.73 0.75 0.28 0.02 0.00 0.00 177.57 180.57 3mkq s THR 54 N -3.31 0.00 -0.63 2.57 -1.32 -1.04 -5.03 115.64 106.89 3mkq s THR 54 Ca -0.03 -0.33 0.23 0.00 -1.21 0.00 0.00 61.69 60.36 3mkq s THR 54 Cb 0.11 -2.25 -0.07 0.00 -1.51 0.00 0.00 72.50 68.78 3mkq s THR 54 CO 0.82 0.00 1.11 -0.62 -2.21 0.00 0.00 174.62 173.72 3mkq n GLU 55 N -0.58 0.28 -2.22 7.08 -0.58 -1.26 -4.17 120.64 119.20 3mkq n GLU 55 Ca -0.06 0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.42 3mkq n GLU 55 Cb 0.61 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.89 3mkq n GLU 55 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3mkq s THR 56 N -3.19 4.35 0.52 2.62 -4.23 -1.26 -4.52 115.64 109.94 3mkq s THR 56 Ca 0.04 0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 60.78 3mkq s THR 56 Cb 0.14 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 3mkq s THR 56 CO 0.78 -0.83 1.07 -2.16 -0.54 0.00 0.00 174.62 172.94 3mkq s PRO 57 N -5.03 3.58 -0.36 3.99 0.04 -1.14 -3.27 135.00 132.80 3mkq s PRO 57 Ca 0.53 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 3mkq s PRO 57 Cb -0.11 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.44 3mkq s PRO 57 CO 0.49 -0.63 0.14 0.08 0.04 0.00 0.00 177.00 177.12 3mkq s VAL 58 N -1.98 3.69 -0.54 -0.36 1.01 -0.69 -1.01 120.40 120.51 3mkq s VAL 58 Ca 0.69 -1.38 0.24 0.00 0.00 0.00 0.00 61.98 61.52 3mkq s VAL 58 Cb -0.19 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3mkq s VAL 58 CO 0.25 -0.33 1.23 0.03 0.00 0.00 0.00 175.10 176.28 3mkq h ARG 59 N 8.20 0.00 -5.24 2.72 3.08 -1.72 -3.34 114.38 118.08 3mkq h ARG 59 Ca -0.21 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.39 3mkq h ARG 59 Cb 1.07 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.86 3mkq h ARG 59 CO 0.64 0.00 -0.79 0.00 -1.07 0.00 0.00 179.97 178.75 3mkq s ALA 60 N -3.21 1.12 -0.28 0.04 0.00 -1.15 -3.90 121.76 114.37 3mkq s ALA 60 Ca 0.04 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 3mkq s ALA 60 Cb 0.13 -0.20 0.10 0.00 0.00 0.00 0.00 23.12 23.14 3mkq s ALA 60 CO 0.75 0.23 0.82 0.20 0.00 0.00 0.00 175.76 177.75 3mkq s GLY 61 N -0.89 -0.40 0.04 0.00 0.00 -1.26 -1.90 107.32 102.92 3mkq s GLY 61 Ca 0.02 2.46 -0.07 0.00 0.00 0.00 0.00 44.72 47.14 3mkq s GLY 61 CO 0.01 2.08 0.13 0.54 0.00 0.00 0.00 173.10 175.86 3mkq s LYS 62 N 0.84 0.63 0.17 2.90 -0.14 0.04 -4.51 119.74 119.68 3mkq s LYS 62 Ca -0.03 -0.73 -0.12 0.00 -1.36 0.00 0.00 55.97 53.73 3mkq s LYS 62 Cb -0.05 0.25 -0.07 0.00 -1.68 0.00 0.00 37.83 36.28 3mkq s LYS 62 CO -0.09 -0.17 0.53 -0.06 -0.76 0.00 0.00 175.35 174.81 3mkq s PHE 63 N -2.67 3.53 -0.55 3.18 0.40 -1.26 -0.70 117.98 119.91 3mkq s PHE 63 Ca -0.04 0.95 0.06 0.00 -0.60 0.00 0.00 56.93 57.30 3mkq s PHE 63 Cb -0.01 -2.30 0.24 0.00 0.51 0.00 0.00 43.02 41.46 3mkq s PHE 63 CO -0.05 0.38 0.62 -0.89 0.70 0.00 0.00 175.22 175.98 3mkq n ILE 64 N 0.44 1.07 -0.25 0.64 5.41 -0.29 -4.90 119.36 121.47 3mkq n ILE 64 Ca -0.03 -4.68 -0.00 0.00 1.00 0.00 0.00 62.75 59.04 3mkq n ILE 64 Cb 0.52 -2.03 0.06 0.00 -0.71 0.00 0.00 39.64 37.48 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 4.36 0.35 -1.83 -1.39 0.00 -1.95 -0.36 119.26 118.43 3mkq h ALA 65 Ca 0.16 0.26 0.55 0.00 0.00 0.00 0.00 54.91 55.87 3mkq h ALA 65 Cb 0.76 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 3mkq h ALA 65 CO 0.67 -0.49 1.30 0.00 0.00 0.00 0.00 179.25 180.73 3mkq h ARG 66 N -0.04 0.00 -0.06 0.00 3.08 -1.94 0.16 114.38 115.58 3mkq h ARG 66 Ca 0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3mkq h ARG 66 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3mkq h ARG 66 CO -0.76 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 179.78 3mkq n LYS 67 N -4.11 2.36 -3.15 0.04 4.76 -0.19 -4.98 118.16 112.89 3mkq n LYS 67 Ca 0.43 -1.45 -0.22 0.00 -2.87 0.00 0.00 58.31 54.21 3mkq n LYS 67 Cb 1.90 -1.05 0.05 0.00 -1.84 0.00 0.00 35.03 34.09 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 -0.22 -5.96 -4.56 4.39 5.03 0.54 -4.95 115.26 109.53 3mkq n ASN 68 Ca 0.02 -0.35 -0.26 0.00 0.87 0.00 0.00 54.58 54.86 3mkq n ASN 68 Cb 0.25 -4.72 -0.11 0.00 -1.02 0.00 0.00 39.78 34.18 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 -3.20 2.40 0.03 3.10 0.51 -1.02 -1.50 118.94 119.26 3mkq s TRP 69 Ca 0.37 -0.57 0.04 0.00 -2.12 0.00 0.00 56.10 53.82 3mkq s TRP 69 Cb -0.16 -1.48 -0.02 0.00 -0.81 0.00 0.00 33.47 31.00 3mkq s TRP 69 CO 0.46 0.51 -0.12 0.96 -0.51 0.00 0.00 176.95 178.25 3mkq s ILE 70 N -2.68 0.93 -0.05 2.03 -4.36 -0.55 -1.14 121.20 115.38 3mkq s ILE 70 Ca 0.33 -0.91 0.04 0.00 -0.26 0.00 0.00 60.65 59.85 3mkq s ILE 70 Cb 0.05 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.90 3mkq s ILE 70 CO 0.17 -0.04 -0.16 -0.51 0.24 0.00 0.00 174.94 174.64 3mkq s ILE 71 N -0.84 1.33 0.06 8.37 2.07 0.12 -1.82 121.20 130.48 3mkq s ILE 71 Ca -0.00 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.61 3mkq s ILE 71 Cb -0.07 -1.16 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 3mkq s ILE 71 CO 0.01 0.39 -0.07 0.68 -1.91 0.00 0.00 174.94 174.04 3mkq s VAL 72 N 0.17 0.54 -0.03 4.00 -7.23 -0.53 -0.78 120.40 116.54 3mkq s VAL 72 Ca -0.06 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 3mkq s VAL 72 Cb -0.12 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.82 3mkq s VAL 72 CO 0.02 -0.59 -0.11 -0.83 -0.31 0.00 0.00 175.10 173.28 3mkq s GLY 73 N -2.14 0.62 0.38 2.32 0.00 -0.80 -1.04 107.32 106.66 3mkq s GLY 73 Ca -0.02 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.30 3mkq s GLY 73 CO -0.02 -0.19 0.08 -1.35 0.00 0.00 0.00 173.10 171.62 3mkq s SER 74 N 0.10 2.71 0.00 1.64 1.04 -0.82 -2.42 113.70 115.96 3mkq s SER 74 Ca -0.02 -1.52 0.14 0.00 0.48 0.00 0.00 55.95 55.03 3mkq s SER 74 Cb -0.09 0.20 0.67 0.00 0.10 0.00 0.00 66.02 66.90 3mkq s SER 74 CO 0.01 -0.76 1.44 0.47 0.98 0.00 0.00 173.24 175.38 3mkq n ASP 75 N -0.98 0.00 -0.17 7.02 8.00 -0.18 -1.85 116.55 128.38 3mkq n ASP 75 Ca -0.05 0.32 0.01 0.00 0.71 0.00 0.00 54.79 55.79 3mkq n ASP 75 Cb 0.66 -0.41 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3mkq n ASP 75 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3mkq n ASP 76 N -1.41 0.49 -0.03 -2.24 5.68 -1.26 -4.56 116.55 113.22 3mkq n ASP 76 Ca 0.05 -2.00 -0.00 0.00 -0.50 0.00 0.00 54.79 52.33 3mkq n ASP 76 Cb 0.15 -0.07 -0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3mkq n ASP 76 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3mkq n PHE 77 N -0.24 0.00 -4.06 2.11 3.72 -0.77 -5.00 117.46 113.21 3mkq n PHE 77 Ca 0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 3mkq n PHE 77 Cb 0.08 -0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 38.09 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 -0.57 2.90 -0.16 -1.08 0.52 -1.24 -1.23 118.95 118.09 3mkq s ARG 78 Ca 0.00 -0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 3mkq s ARG 78 Cb 0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 3mkq s ARG 78 CO 0.00 0.53 -0.10 0.42 0.02 0.00 0.00 175.30 176.17 3mkq s ILE 79 N -1.55 3.21 0.05 1.52 1.01 -0.60 -1.93 121.20 122.90 3mkq s ILE 79 Ca 0.30 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.43 3mkq s ILE 79 Cb -0.11 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3mkq s ILE 79 CO 0.23 0.49 -0.19 -0.13 0.00 0.00 0.00 174.94 175.34 3mkq s ARG 80 N 0.74 1.22 -0.03 2.79 0.52 -0.21 -2.55 118.95 121.43 3mkq s ARG 80 Ca -0.04 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3mkq s ARG 80 Cb -0.15 -1.32 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 3mkq s ARG 80 CO 0.02 0.33 -0.18 0.08 0.02 0.00 0.00 175.30 175.57 3mkq s VAL 81 N -0.87 1.46 0.05 3.52 1.01 -0.72 -1.45 120.40 123.40 3mkq s VAL 81 Ca 0.06 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3mkq s VAL 81 Cb -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3mkq s VAL 81 CO 0.02 0.42 -0.10 -0.36 0.00 0.00 0.00 175.10 175.07 3mkq s PHE 82 N -0.27 0.89 -0.19 5.22 0.40 -0.76 0.80 117.98 124.08 3mkq s PHE 82 Ca 0.03 -0.46 -0.24 0.00 -0.60 0.00 0.00 56.93 55.66 3mkq s PHE 82 Cb -0.09 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 3mkq s PHE 82 CO 0.00 -0.02 0.79 1.21 0.70 0.00 0.00 175.22 177.90 3mkq s ASN 83 N -1.55 6.88 0.27 1.36 3.84 0.10 -1.49 114.94 124.36 3mkq s ASN 83 Ca -0.06 1.08 0.26 0.00 0.21 0.00 0.00 52.86 54.35 3mkq s ASN 83 Cb -0.10 -2.43 0.87 0.00 -0.55 0.00 0.00 41.25 39.05 3mkq s ASN 83 CO 0.01 -0.39 1.76 0.10 -2.79 0.00 0.00 177.10 175.79 3mkq h TYR 84 N 7.41 0.00 0.10 0.43 -0.00 -1.59 1.02 116.97 124.34 3mkq h TYR 84 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.15 3mkq h TYR 84 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.85 3mkq h TYR 84 CO 0.72 0.00 -1.48 -0.91 -0.00 0.00 0.00 178.16 176.49 3mkq h ASN 85 N 0.00 0.32 0.00 0.10 2.35 -1.92 -3.39 115.58 113.03 3mkq h ASN 85 Ca 0.00 -0.44 -0.33 0.00 -0.55 0.00 0.00 56.30 54.98 3mkq h ASN 85 Cb 0.61 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 3mkq h ASN 85 CO 0.00 1.36 -2.24 0.41 -1.65 0.00 0.00 177.43 175.32 3mkq n THR 86 N -3.41 1.24 -0.70 2.81 -1.04 -1.18 -4.99 114.28 107.01 3mkq n THR 86 Ca -0.14 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.11 3mkq n THR 86 Cb 1.03 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3mkq n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mkq n GLY 87 N 1.91 0.94 3.75 3.41 0.00 0.35 -5.01 105.19 110.55 3mkq n GLY 87 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.26 4.37 -0.18 1.61 2.12 -1.23 -4.67 118.70 120.45 3mkq s GLU 88 Ca 0.00 2.14 -0.29 0.00 0.36 0.00 0.00 54.97 57.18 3mkq s GLU 88 Cb 0.00 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 3mkq s GLU 88 CO 0.00 -0.24 1.10 0.21 -0.54 0.00 0.00 175.26 175.80 3mkq s LYS 89 N -0.80 4.29 -0.05 4.30 2.20 -1.26 -0.72 119.74 127.70 3mkq s LYS 89 Ca 0.54 1.46 -0.12 0.00 -0.36 0.00 0.00 55.97 57.50 3mkq s LYS 89 Cb -0.38 -3.65 -0.31 0.00 -1.51 0.00 0.00 37.83 31.99 3mkq s LYS 89 CO 0.44 -0.58 0.66 0.28 -0.36 0.00 0.00 175.35 175.79 3mkq h VAL 90 N 5.36 0.95 -2.64 4.02 2.07 0.04 -3.48 116.25 122.57 3mkq h VAL 90 Ca -0.24 -2.50 -0.06 0.00 0.82 0.00 0.00 66.70 64.72 3mkq h VAL 90 Cb 1.09 2.77 -0.17 0.00 -1.52 0.00 0.00 31.29 33.46 3mkq h VAL 90 CO 0.95 0.84 0.06 0.54 0.02 0.00 0.00 177.57 179.98 3mkq s VAL 91 N -2.57 0.02 -0.24 2.57 0.11 -1.22 -4.97 120.40 114.10 3mkq s VAL 91 Ca -0.16 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 3mkq s VAL 91 Cb 0.05 -0.96 0.13 0.00 -1.53 0.00 0.00 36.38 34.08 3mkq s VAL 91 CO 0.85 -0.11 0.40 -0.62 -3.33 0.00 0.00 175.10 172.29 3mkq s ASP 92 N -1.81 0.04 0.09 3.54 3.68 -1.26 -1.76 116.67 119.19 3mkq s ASP 92 Ca -0.07 0.37 -0.07 0.00 2.13 0.00 0.00 52.55 54.92 3mkq s ASP 92 Cb -0.01 1.24 -0.01 0.00 -1.45 0.00 0.00 42.92 42.69 3mkq s ASP 92 CO 0.00 -0.29 0.15 0.72 0.13 0.00 0.00 175.17 175.88 3mkq s PHE 93 N 2.58 0.29 -0.30 -5.34 -0.71 -1.06 -5.01 117.98 108.43 3mkq s PHE 93 Ca 0.12 -0.74 -0.26 0.00 -1.04 0.00 0.00 56.93 55.01 3mkq s PHE 93 Cb -0.15 -0.15 0.01 0.00 -1.21 0.00 0.00 43.02 41.52 3mkq s PHE 93 CO -0.16 -0.53 0.93 -2.00 -1.34 0.00 0.00 175.22 172.12 3mkq s GLU 94 N -3.89 4.05 -0.15 1.99 2.12 -1.26 -1.56 118.70 120.00 3mkq s GLU 94 Ca 0.08 0.88 0.07 0.00 0.36 0.00 0.00 54.97 56.36 3mkq s GLU 94 Cb 0.05 -3.72 -0.23 0.00 0.26 0.00 0.00 34.13 30.50 3mkq s GLU 94 CO -0.09 -0.75 0.26 0.00 -0.54 0.00 0.00 175.26 174.14 3mkq n ALA 95 N 6.46 1.33 -2.23 6.30 0.00 -0.36 -4.97 120.51 127.03 3mkq n ALA 95 Ca 0.08 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 3mkq n ALA 95 Cb 0.47 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.55 0.64 -2.04 0.00 3.76 -1.21 -5.00 115.29 108.88 3mkq s HIS 96 Ca -0.17 -1.07 0.21 0.00 -0.15 0.00 0.00 55.06 53.88 3mkq s HIS 96 Cb 0.07 -0.37 1.16 0.00 1.11 0.00 0.00 32.58 34.55 3mkq s HIS 96 CO 0.77 -0.50 1.75 -2.30 -0.85 0.00 0.00 174.74 173.61 3mkq n PRO 97 N -0.04 1.10 -2.92 8.40 -0.02 -1.26 -4.73 135.00 135.53 3mkq n PRO 97 Ca -0.09 -0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.16 3mkq n PRO 97 Cb 0.63 -1.33 -0.02 0.00 -0.02 0.00 0.00 33.50 32.76 3mkq n PRO 97 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3mkq n ASP 98 N -0.66 -0.73 -4.67 2.55 4.64 -1.26 -5.02 116.55 111.40 3mkq n ASP 98 Ca 0.15 -2.05 -0.39 0.00 -1.38 0.00 0.00 54.79 51.12 3mkq n ASP 98 Cb 0.11 1.37 0.04 0.00 -1.04 0.00 0.00 41.12 41.60 3mkq n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 3mkq n TYR 99 N -0.32 1.50 -3.79 -0.67 0.53 -1.26 -4.36 117.16 108.80 3mkq n TYR 99 Ca 0.01 0.46 -0.36 0.00 -1.02 0.00 0.00 57.90 56.98 3mkq n TYR 99 Cb 0.32 -2.25 -0.11 0.00 -1.03 0.00 0.00 39.34 36.28 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 -1.38 4.89 -0.20 -0.72 1.01 -1.25 -1.02 121.20 122.53 3mkq s ILE 100 Ca 0.72 0.02 0.09 0.00 0.00 0.00 0.00 60.65 61.47 3mkq s ILE 100 Cb -0.44 -3.27 -0.22 0.00 0.01 0.00 0.00 42.46 38.54 3mkq s ILE 100 CO 0.50 0.36 0.04 0.54 0.00 0.00 0.00 174.94 176.38 3mkq n ARG 101 N 4.34 0.68 -3.78 2.79 5.12 0.14 -4.58 116.66 121.35 3mkq n ARG 101 Ca -0.16 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.76 3mkq n ARG 101 Cb 0.52 -1.57 -0.08 0.00 -1.16 0.00 0.00 32.46 30.17 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 -6.12 -0.11 -0.01 0.55 0.15 -1.14 -4.48 113.70 102.54 3mkq s SER 102 Ca -0.21 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.36 3mkq s SER 102 Cb 0.07 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3mkq s SER 102 CO 0.73 -0.51 -0.05 -0.63 1.20 0.00 0.00 173.24 173.98 3mkq s ILE 103 N -1.89 0.44 -0.01 6.45 1.01 -1.26 -0.89 121.20 125.06 3mkq s ILE 103 Ca -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3mkq s ILE 103 Cb -0.04 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.05 3mkq s ILE 103 CO 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 174.94 175.02 3mkq s ALA 104 N -0.06 0.46 -0.15 9.38 0.00 0.00 -4.92 121.76 126.47 3mkq s ALA 104 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3mkq s ALA 104 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3mkq s ALA 104 CO -0.00 0.10 -0.17 0.14 0.00 0.00 0.00 175.76 175.82 3mkq s VAL 105 N -0.01 2.47 0.22 0.00 -7.23 -1.26 0.25 120.40 114.84 3mkq s VAL 105 Ca 0.01 -0.84 -0.32 0.00 -1.81 0.00 0.00 61.98 59.02 3mkq s VAL 105 Cb -0.03 -2.03 -0.13 0.00 0.56 0.00 0.00 36.38 34.74 3mkq s VAL 105 CO -0.00 0.52 1.48 1.57 -0.31 0.00 0.00 175.10 178.36 3mkq n HIS 106 N 4.09 2.28 0.12 2.82 -0.00 -0.32 -4.91 115.22 119.30 3mkq n HIS 106 Ca -0.19 0.36 0.02 0.00 0.46 0.00 0.00 57.72 58.37 3mkq n HIS 106 Cb 0.52 -2.50 0.35 0.00 -0.12 0.00 0.00 29.99 28.24 3mkq n HIS 106 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mkq h PRO 107 N 4.76 0.20 0.00 1.57 0.13 -1.94 -3.37 132.00 133.35 3mkq h PRO 107 Ca -0.45 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3mkq h PRO 107 Cb 1.26 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mkq h PRO 107 CO 0.80 0.42 -1.08 2.41 -0.23 0.00 0.00 178.00 180.32 3mkq n THR 108 N -4.20 0.03 -4.16 1.56 -1.04 -1.26 -5.06 114.28 100.15 3mkq n THR 108 Ca -0.01 -0.04 -0.22 0.00 -2.04 0.00 0.00 64.05 61.73 3mkq n THR 108 Cb 0.33 -0.03 -0.05 0.00 -1.82 0.00 0.00 70.33 68.76 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 2.70 0.00 -2.82 1.02 -1.26 -5.00 119.74 112.30 3mkq s LYS 109 Ca -0.01 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 3mkq s LYS 109 Cb 0.01 -2.42 -0.11 0.00 -0.52 0.00 0.00 37.83 34.79 3mkq s LYS 109 CO 0.06 0.37 2.45 -0.35 -0.92 0.00 0.00 175.35 176.97 3mkq n PRO 110 N -1.10 1.29 -4.53 -1.68 -0.04 -1.26 -4.45 135.00 123.23 3mkq n PRO 110 Ca -0.07 -0.39 -0.32 0.00 -0.04 0.00 0.00 63.50 62.68 3mkq n PRO 110 Cb 0.58 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.64 2.85 -0.03 0.54 2.02 -1.26 -0.91 117.35 121.20 3mkq s TYR 111 Ca 0.26 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 3mkq s TYR 111 Cb 0.12 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 3mkq s TYR 111 CO 0.00 0.34 -0.08 0.08 -1.57 0.00 0.00 175.55 174.32 3mkq s VAL 112 N -0.94 0.74 -0.01 0.71 1.01 0.16 -1.17 120.40 120.90 3mkq s VAL 112 Ca 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3mkq s VAL 112 Cb -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3mkq s VAL 112 CO 0.06 0.24 -0.03 -0.76 0.00 0.00 0.00 175.10 174.61 3mkq s LEU 113 N 0.36 3.34 -0.03 3.92 1.43 0.14 -0.19 118.68 127.65 3mkq s LEU 113 Ca -0.06 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3mkq s LEU 113 Cb -0.10 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3mkq s LEU 113 CO 0.01 0.29 -0.03 -0.94 0.23 0.00 0.00 176.35 175.91 3mkq s SER 114 N -1.43 0.65 -0.11 2.29 1.04 -0.66 -0.82 113.70 114.66 3mkq s SER 114 Ca 0.18 -0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 3mkq s SER 114 Cb -0.11 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 3mkq s SER 114 CO 0.08 -0.04 0.03 -0.83 0.98 0.00 0.00 173.24 173.46 3mkq s GLY 115 N 0.71 1.91 0.16 7.32 0.00 -0.07 -1.65 107.32 115.70 3mkq s GLY 115 Ca -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3mkq s GLY 115 CO -0.01 -0.43 0.00 -0.45 0.00 0.00 0.00 173.10 172.21 3mkq s SER 116 N -0.70 1.13 0.00 1.64 0.15 -0.85 0.24 113.70 115.30 3mkq s SER 116 Ca 0.11 -1.17 0.13 0.00 0.70 0.00 0.00 55.95 55.73 3mkq s SER 116 Cb -0.12 0.13 0.67 0.00 -1.71 0.00 0.00 66.02 64.99 3mkq s SER 116 CO 0.02 -0.58 1.34 0.47 1.20 0.00 0.00 173.24 175.69 3mkq n ASP 117 N -0.22 0.00 -0.44 5.45 9.92 -0.19 -2.37 116.55 128.71 3mkq n ASP 117 Ca -0.07 0.09 0.01 0.00 -0.53 0.00 0.00 54.79 54.29 3mkq n ASP 117 Cb 0.63 -0.28 0.05 0.00 -0.64 0.00 0.00 41.12 40.88 3mkq n ASP 117 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3mkq n ASP 118 N -1.28 1.08 -0.24 -2.24 5.68 -1.26 -4.57 116.55 113.72 3mkq n ASP 118 Ca 0.06 -2.06 -0.03 0.00 -0.50 0.00 0.00 54.79 52.26 3mkq n ASP 118 Cb 0.10 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 39.76 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 -0.06 0.06 -4.46 -2.12 4.32 -1.01 -4.99 117.00 108.73 3mkq n LEU 119 Ca 0.03 0.08 -0.23 0.00 -0.02 0.00 0.00 56.01 55.87 3mkq n LEU 119 Cb 0.23 -1.42 -0.10 0.00 -1.62 0.00 0.00 43.42 40.51 3mkq n LEU 119 CO 0.03 -0.45 -0.41 -0.89 -1.22 0.00 0.00 177.39 174.46 3mkq s THR 120 N -1.83 2.02 -0.08 -5.08 2.01 -1.25 -4.01 115.64 107.43 3mkq s THR 120 Ca 0.00 -2.22 0.01 0.00 0.31 0.00 0.00 61.69 59.79 3mkq s THR 120 Cb 0.00 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3mkq s THR 120 CO 0.00 -0.33 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.82 3mkq s VAL 121 N -2.77 0.95 0.09 3.82 1.01 -1.10 -2.01 120.40 120.39 3mkq s VAL 121 Ca 0.30 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3mkq s VAL 121 Cb 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3mkq s VAL 121 CO 0.13 0.33 -0.24 -0.54 0.00 0.00 0.00 175.10 174.79 3mkq s LYS 122 N 1.09 1.69 -0.16 2.72 1.02 -0.66 -0.50 119.74 124.94 3mkq s LYS 122 Ca -0.07 -1.19 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 3mkq s LYS 122 Cb -0.14 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 3mkq s LYS 122 CO -0.01 0.49 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.68 3mkq s LEU 123 N -1.76 3.08 -0.05 3.17 2.96 0.41 -1.66 118.68 124.84 3mkq s LEU 123 Ca 0.14 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3mkq s LEU 123 Cb -0.10 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3mkq s LEU 123 CO 0.06 0.14 -0.20 0.26 -1.32 0.00 0.00 176.35 175.28 3mkq s TRP 124 N 0.55 2.54 -0.48 5.38 0.52 0.74 -1.50 118.94 126.69 3mkq s TRP 124 Ca -0.04 -0.43 -0.11 0.00 0.02 0.00 0.00 56.10 55.53 3mkq s TRP 124 Cb -0.15 -1.60 0.11 0.00 -1.15 0.00 0.00 33.47 30.68 3mkq s TRP 124 CO 0.03 -0.02 0.37 1.21 0.02 0.00 0.00 176.95 178.56 3mkq s ASN 125 N -0.45 5.85 0.61 2.95 3.84 -0.73 -0.67 114.94 126.34 3mkq s ASN 125 Ca 0.05 -1.72 0.38 0.00 0.21 0.00 0.00 52.86 51.78 3mkq s ASN 125 Cb -0.12 -2.07 1.90 0.00 -0.55 0.00 0.00 41.25 40.41 3mkq s ASN 125 CO 0.01 -0.69 2.19 4.11 -2.79 0.00 0.00 177.10 179.93 3mkq h TRP 126 N 8.58 0.00 -0.50 0.43 0.09 -1.35 -1.23 115.95 121.96 3mkq h TRP 126 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.74 3mkq h TRP 126 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.33 3mkq h TRP 126 CO 0.65 0.01 0.00 -0.85 0.09 0.00 0.00 178.44 178.35 3mkq n GLU 127 N -3.15 4.20 -1.40 0.12 0.28 -1.26 -3.47 120.64 115.96 3mkq n GLU 127 Ca -0.01 -2.65 0.01 0.00 -0.16 0.00 0.00 57.16 54.34 3mkq n GLU 127 Cb 0.18 -2.11 0.09 0.00 1.43 0.00 0.00 31.44 31.03 3mkq n GLU 127 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3mkq n ASN 128 N 0.59 1.76 -2.76 -1.84 3.02 -0.75 -4.95 115.26 110.32 3mkq n ASN 128 Ca 0.23 -2.88 -0.17 0.00 -0.03 0.00 0.00 54.58 51.74 3mkq n ASN 128 Cb 1.02 -0.41 0.06 0.00 -0.61 0.00 0.00 39.78 39.84 3mkq n ASN 128 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mkq n ASN 129 N -0.35 -4.86 -3.55 6.41 3.02 -1.23 -2.92 115.26 111.78 3mkq n ASN 129 Ca 0.15 -0.40 -0.26 0.00 -0.03 0.00 0.00 54.58 54.04 3mkq n ASN 129 Cb 0.92 -3.82 0.02 0.00 -0.61 0.00 0.00 39.78 36.29 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 -4.22 -2.13 -2.29 3.10 7.02 -0.54 -4.92 117.44 113.45 3mkq n TRP 130 Ca -0.02 0.71 -0.37 0.00 -1.02 0.00 0.00 57.50 56.80 3mkq n TRP 130 Cb 0.55 -3.87 -0.01 0.00 -2.42 0.00 0.00 31.31 25.56 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 -3.17 3.04 -0.37 6.99 0.00 -1.15 -4.62 121.76 122.49 3mkq s ALA 131 Ca 0.51 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 3mkq s ALA 131 Cb -0.25 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.51 3mkq s ALA 131 CO 0.63 -0.59 1.07 -1.17 0.00 0.00 0.00 175.76 175.71 3mkq s LEU 132 N -2.83 3.86 0.00 0.00 2.96 -1.26 -1.77 118.68 119.64 3mkq s LEU 132 Ca 0.61 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 55.47 3mkq s LEU 132 Cb -0.29 -3.51 0.11 0.00 0.50 0.00 0.00 46.19 43.01 3mkq s LEU 132 CO 0.35 -0.97 0.89 -0.62 -1.32 0.00 0.00 176.35 174.68 3mkq n GLU 133 N 7.10 0.78 -3.65 1.98 1.02 -0.56 -5.01 120.64 122.30 3mkq n GLU 133 Ca 0.11 -1.24 -0.03 0.00 -0.02 0.00 0.00 57.16 55.98 3mkq n GLU 133 Cb 0.48 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 3mkq n GLU 133 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3mkq s GLN 134 N -0.89 0.09 -0.11 3.49 0.74 -1.24 -4.98 119.66 116.77 3mkq s GLN 134 Ca 0.13 0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.66 3mkq s GLN 134 Cb 0.09 0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.27 3mkq s GLN 134 CO 0.13 -0.01 -0.12 0.99 -0.55 0.00 0.00 175.29 175.73 3mkq s THR 135 N 0.06 1.30 -0.44 -0.34 2.01 -1.26 -0.44 115.64 116.53 3mkq s THR 135 Ca 0.07 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.40 3mkq s THR 135 Cb -0.05 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.26 3mkq s THR 135 CO -0.15 0.41 0.43 -0.36 -0.69 0.00 0.00 174.62 174.26 3mkq s PHE 136 N 1.30 3.18 -0.01 4.92 0.08 0.34 -4.98 117.98 122.81 3mkq s PHE 136 Ca -0.01 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.53 3mkq s PHE 136 Cb -0.14 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.29 3mkq s PHE 136 CO -0.05 -0.75 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.04 3mkq s GLU 137 N 2.04 2.58 0.00 0.44 2.02 -1.26 -2.72 118.70 121.80 3mkq s GLU 137 Ca 0.10 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3mkq s GLU 137 Cb -0.19 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3mkq s GLU 137 CO 0.11 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.42 3mkq n GLY 138 N 1.67 0.96 3.74 -1.39 0.00 -1.26 -4.87 105.19 104.05 3mkq n GLY 138 Ca -0.16 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 2.27 -0.40 1.61 3.76 -1.26 -4.95 115.29 116.32 3mkq s HIS 139 Ca 0.00 1.57 0.13 0.00 -0.15 0.00 0.00 55.06 56.61 3mkq s HIS 139 Cb 0.00 -3.39 0.37 0.00 1.11 0.00 0.00 32.58 30.67 3mkq s HIS 139 CO 0.00 -2.27 1.29 0.39 -0.85 0.00 0.00 174.74 173.29 3mkq n GLU 140 N -2.42 2.72 -0.51 1.40 1.02 -1.26 -4.88 120.64 116.71 3mkq n GLU 140 Ca 0.13 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 3mkq n GLU 140 Cb 0.51 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.28 -0.42 -1.85 -0.32 -0.00 -1.26 -4.86 115.22 106.23 3mkq n HIS 141 Ca 0.15 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.91 3mkq n HIS 141 Cb 0.64 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.48 3mkq n HIS 141 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 3mkq s PHE 142 N -5.38 2.58 -0.52 1.57 2.99 -1.26 -3.89 117.98 114.08 3mkq s PHE 142 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 56.93 57.02 3mkq s PHE 142 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 43.02 39.03 3mkq s PHE 142 CO 0.00 -4.07 0.82 0.14 -0.00 0.00 0.00 175.22 172.11 3mkq s VAL 143 N 2.08 4.58 -0.31 -0.44 -7.23 -1.00 -1.68 120.40 116.40 3mkq s VAL 143 Ca 0.75 0.09 0.21 0.00 -1.81 0.00 0.00 61.98 61.21 3mkq s VAL 143 Cb -0.44 -4.42 0.18 0.00 0.56 0.00 0.00 36.38 32.26 3mkq s VAL 143 CO 0.33 -0.94 1.41 0.24 -0.31 0.00 0.00 175.10 175.83 3mkq h MET 144 N 9.15 0.00 -1.89 4.82 0.00 -1.38 -3.31 114.93 122.32 3mkq h MET 144 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.42 3mkq h MET 144 Cb 1.08 0.00 -0.22 0.00 0.00 0.00 0.00 31.60 32.46 3mkq h MET 144 CO 1.03 0.14 0.22 0.00 0.00 0.00 0.00 176.91 178.29 3mkq s VAL 146 N 0.27 1.02 -0.11 0.00 -7.23 -1.26 -0.32 120.40 112.77 3mkq s VAL 146 Ca 0.00 -0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 59.51 3mkq s VAL 146 Cb -0.05 -0.85 0.03 0.00 0.56 0.00 0.00 36.38 36.07 3mkq s VAL 146 CO -0.01 0.27 0.28 0.00 -0.31 0.00 0.00 175.10 175.33 3mkq s ALA 147 N -0.34 -0.68 0.45 1.32 0.00 -0.37 -4.62 121.76 117.53 3mkq s ALA 147 Ca 0.05 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 3mkq s ALA 147 Cb -0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 3mkq s ALA 147 CO -0.00 -0.15 0.94 -0.06 0.00 0.00 0.00 175.76 176.49 3mkq s PHE 148 N 0.42 3.36 -0.40 0.00 0.40 -1.26 -0.07 117.98 120.43 3mkq s PHE 148 Ca -0.02 1.52 -0.27 0.00 -0.60 0.00 0.00 56.93 57.56 3mkq s PHE 148 Cb -0.04 -2.79 0.02 0.00 0.51 0.00 0.00 43.02 40.72 3mkq s PHE 148 CO -0.02 -0.17 1.00 1.21 0.70 0.00 0.00 175.22 177.94 3mkq s ASN 149 N -2.49 6.68 0.66 1.36 3.04 -0.35 -4.84 114.94 119.00 3mkq s ASN 149 Ca 0.60 0.55 0.37 0.00 0.04 0.00 0.00 52.86 54.42 3mkq s ASN 149 Cb -0.09 -2.50 2.03 0.00 -1.54 0.00 0.00 41.25 39.15 3mkq s ASN 149 CO 0.19 -0.99 2.15 1.55 -3.04 0.00 0.00 177.10 176.97 3mkq h PRO 150 N 8.70 0.00 0.00 0.43 0.13 -1.92 -0.09 132.00 139.25 3mkq h PRO 150 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3mkq h PRO 150 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3mkq h PRO 150 CO 1.03 0.00 -0.80 1.63 -0.23 0.00 0.00 178.00 179.63 3mkq n LYS 151 N -3.03 0.11 -2.94 0.86 5.02 -1.26 -4.66 118.16 112.26 3mkq n LYS 151 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.24 3mkq n LYS 151 Cb 0.23 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3mkq n LYS 151 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3mkq s ASP 152 N -3.38 -1.40 0.00 4.39 2.15 -0.10 -5.03 116.67 113.30 3mkq s ASP 152 Ca 0.08 -1.42 0.03 0.00 0.43 0.00 0.00 52.55 51.66 3mkq s ASP 152 Cb 0.16 1.87 0.14 0.00 -0.30 0.00 0.00 42.92 44.78 3mkq s ASP 152 CO 0.77 -0.10 0.92 -0.81 -0.17 0.00 0.00 175.17 175.79 3mkq n PRO 153 N 3.48 0.03 -0.01 4.34 -0.04 -0.85 -1.32 135.00 140.63 3mkq n PRO 153 Ca 0.16 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 3mkq n PRO 153 Cb 0.56 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.31 0.17 -4.00 3.54 3.41 -1.26 -4.73 113.62 109.43 3mkq n SER 154 Ca 0.01 -1.32 -0.13 0.00 -0.26 0.00 0.00 58.87 57.18 3mkq n SER 154 Cb 0.02 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 3mkq n SER 154 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mkq s THR 155 N -1.99 0.35 0.21 6.66 -1.32 -0.43 -1.37 115.64 117.75 3mkq s THR 155 Ca 0.34 -0.74 -0.11 0.00 -1.21 0.00 0.00 61.69 59.98 3mkq s THR 155 Cb 0.16 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.74 3mkq s THR 155 CO 0.27 -0.26 0.38 0.72 -2.21 0.00 0.00 174.62 173.51 3mkq s PHE 156 N -0.98 0.43 0.11 9.09 -0.12 -0.93 -1.22 117.98 124.36 3mkq s PHE 156 Ca -0.08 -0.77 0.09 0.00 -0.05 0.00 0.00 56.93 56.12 3mkq s PHE 156 Cb -0.07 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 3mkq s PHE 156 CO -0.00 -0.86 -0.22 0.00 -0.05 0.00 0.00 175.22 174.10 3mkq s ALA 157 N -4.01 1.91 -0.03 1.99 0.00 0.90 -1.11 121.76 121.41 3mkq s ALA 157 Ca 0.22 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3mkq s ALA 157 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3mkq s ALA 157 CO 0.05 0.38 -0.20 -1.54 0.00 0.00 0.00 175.76 174.45 3mkq s SER 158 N -1.99 2.44 -0.16 0.00 1.04 0.07 -1.23 113.70 113.86 3mkq s SER 158 Ca 0.08 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 3mkq s SER 158 Cb -0.10 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.51 3mkq s SER 158 CO 0.05 0.22 -0.05 -0.83 0.98 0.00 0.00 173.24 173.60 3mkq s GLY 159 N -0.24 1.68 0.10 7.32 0.00 0.56 -1.66 107.32 115.08 3mkq s GLY 159 Ca 0.02 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 43.93 3mkq s GLY 159 CO 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 173.10 172.92 3mkq n LEU 161 N 0.99 0.00 -0.10 0.00 4.77 -0.67 -1.66 117.00 120.32 3mkq n LEU 161 Ca -0.19 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3mkq n LEU 161 Cb 0.55 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3mkq n LEU 161 CO 0.23 -0.24 0.41 -0.90 -1.33 0.00 0.00 177.39 175.57 3mkq n ASP 162 N -1.40 0.17 -0.21 -1.43 5.75 -1.26 -4.19 116.55 113.98 3mkq n ASP 162 Ca 0.04 -1.82 -0.03 0.00 -0.01 0.00 0.00 54.79 52.98 3mkq n ASP 162 Cb 0.12 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 3mkq n ASP 162 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mkq n ARG 163 N -0.40 -0.39 -4.40 0.11 1.74 -0.86 -4.99 116.66 107.48 3mkq n ARG 163 Ca 0.00 0.43 -0.21 0.00 -0.77 0.00 0.00 57.85 57.30 3mkq n ARG 163 Cb 0.04 -3.97 -0.09 0.00 -1.02 0.00 0.00 32.46 27.42 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 -2.00 0.65 -0.06 0.55 -4.23 -1.23 -2.63 115.64 106.69 3mkq s THR 164 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3mkq s THR 164 Cb 0.00 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.29 3mkq s THR 164 CO 0.00 0.00 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.31 3mkq s VAL 165 N -3.47 0.83 -0.08 2.29 1.01 -0.76 -1.72 120.40 118.50 3mkq s VAL 165 Ca 0.33 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3mkq s VAL 165 Cb 0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3mkq s VAL 165 CO 0.15 0.29 -0.15 -0.54 0.00 0.00 0.00 175.10 174.86 3mkq s LYS 166 N 0.85 2.86 -0.19 2.72 1.02 -0.66 -0.55 119.74 125.78 3mkq s LYS 166 Ca -0.12 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.10 3mkq s LYS 166 Cb -0.15 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 3mkq s LYS 166 CO 0.01 0.44 0.01 0.08 -0.92 0.00 0.00 175.35 174.97 3mkq s VAL 167 N -0.24 4.16 0.29 3.17 1.01 -0.98 -0.75 120.40 127.06 3mkq s VAL 167 Ca 0.01 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.82 3mkq s VAL 167 Cb -0.13 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 3mkq s VAL 167 CO 0.03 0.45 -0.10 0.26 0.00 0.00 0.00 175.10 175.74 3mkq s TRP 168 N 0.72 2.11 -0.09 5.22 0.52 -0.27 -0.24 118.94 126.91 3mkq s TRP 168 Ca 0.01 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.57 3mkq s TRP 168 Cb -0.14 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 3mkq s TRP 168 CO 0.02 0.44 -0.15 -1.12 0.02 0.00 0.00 176.95 176.16 3mkq s SER 169 N -3.49 3.90 0.35 2.95 0.01 -1.26 -2.19 113.70 113.96 3mkq s SER 169 Ca 0.30 -0.30 0.15 0.00 1.31 0.00 0.00 55.95 57.41 3mkq s SER 169 Cb 0.02 -1.24 1.13 0.00 0.21 0.00 0.00 66.02 66.14 3mkq s SER 169 CO 0.13 0.24 1.63 -0.07 0.41 0.00 0.00 173.24 175.58 3mkq h LEU 170 N 6.13 0.37 -0.46 2.44 4.07 -1.58 -0.11 115.31 126.16 3mkq h LEU 170 Ca -0.34 0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3mkq h LEU 170 Cb 1.19 0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.13 3mkq h LEU 170 CO 0.52 -0.25 -0.10 0.61 -1.08 0.00 0.00 178.44 178.15 3mkq n GLY 171 N -1.30 -0.62 3.84 0.83 0.00 -1.26 -4.91 105.19 101.77 3mkq n GLY 171 Ca 0.33 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3mkq n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mkq s GLN 172 N -2.30 3.30 0.28 1.61 -1.52 -0.05 -5.00 119.66 115.99 3mkq s GLN 172 Ca 0.33 -0.27 0.23 0.00 -1.95 0.00 0.00 55.36 53.70 3mkq s GLN 172 Cb 0.20 -3.05 0.18 0.00 -0.22 0.00 0.00 33.01 30.12 3mkq s GLN 172 CO 0.43 0.73 1.30 0.66 -0.25 0.00 0.00 175.29 178.16 3mkq h SER 173 N 4.67 0.00 -3.79 5.90 4.64 -1.91 -3.43 113.55 119.63 3mkq h SER 173 Ca -0.52 -0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.10 3mkq h SER 173 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 3mkq h SER 173 CO 0.60 0.01 -0.73 0.28 -0.87 0.00 0.00 176.83 176.12 3mkq s THR 174 N -3.28 3.38 0.46 2.95 -1.32 -1.26 -4.47 115.64 112.10 3mkq s THR 174 Ca 0.03 -0.75 -0.24 0.00 -1.21 0.00 0.00 61.69 59.52 3mkq s THR 174 Cb 0.08 -2.40 -0.07 0.00 -1.51 0.00 0.00 72.50 68.60 3mkq s THR 174 CO 0.73 0.49 1.31 -2.16 -2.21 0.00 0.00 174.62 172.78 3mkq s PRO 175 N -1.09 3.66 0.38 7.08 0.04 -1.26 -4.72 135.00 139.09 3mkq s PRO 175 Ca 0.14 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.39 3mkq s PRO 175 Cb -0.11 -2.54 0.79 0.00 0.04 0.00 0.00 34.50 32.68 3mkq s PRO 175 CO 0.04 -0.74 2.00 -0.91 0.04 0.00 0.00 177.00 177.42 3mkq h ASN 176 N 2.17 0.59 -4.33 6.66 -0.26 -0.96 -3.45 115.58 116.00 3mkq h ASN 176 Ca -0.50 -0.00 0.12 0.00 -0.56 0.00 0.00 56.30 55.35 3mkq h ASN 176 Cb 1.26 -0.13 -0.19 0.00 -1.06 0.00 0.00 38.32 38.20 3mkq h ASN 176 CO 0.60 0.40 0.57 0.72 -1.06 0.00 0.00 177.43 178.66 3mkq s PHE 177 N -5.60 -0.32 -0.12 1.19 -0.12 -1.20 -5.04 117.98 106.76 3mkq s PHE 177 Ca -0.09 0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.19 3mkq s PHE 177 Cb 0.19 0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 43.07 3mkq s PHE 177 CO 0.76 -0.40 -0.19 0.99 -0.05 0.00 0.00 175.22 176.33 3mkq s THR 178 N -2.08 2.45 -0.18 -4.49 2.01 -1.26 -2.31 115.64 109.78 3mkq s THR 178 Ca 0.03 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 3mkq s THR 178 Cb -0.01 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3mkq s THR 178 CO -0.04 0.54 0.08 -0.22 -0.69 0.00 0.00 174.62 174.29 3mkq s LEU 179 N 0.48 3.91 -0.24 4.42 2.96 0.28 -4.98 118.68 125.52 3mkq s LEU 179 Ca -0.13 0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3mkq s LEU 179 Cb -0.17 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 3mkq s LEU 179 CO 0.05 0.20 0.15 0.42 -1.32 0.00 0.00 176.35 175.86 3mkq s THR 180 N 0.19 5.28 -0.08 3.68 -4.23 -1.26 -1.83 115.64 117.39 3mkq s THR 180 Ca 0.05 0.15 0.15 0.00 -1.18 0.00 0.00 61.69 60.86 3mkq s THR 180 Cb -0.12 -3.46 -0.14 0.00 1.34 0.00 0.00 72.50 70.12 3mkq s THR 180 CO 0.00 0.35 0.90 0.71 -0.54 0.00 0.00 174.62 176.04 3mkq h THR 181 N 5.05 0.74 0.00 3.99 1.35 -1.88 -3.48 112.91 118.68 3mkq h THR 181 Ca -0.38 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 3mkq h THR 181 Cb 1.17 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3mkq h THR 181 CO 0.65 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.95 3mkq n GLY 182 N 1.41 0.83 3.44 5.82 0.00 -1.26 -4.95 105.19 110.49 3mkq n GLY 182 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 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 3.99 0.55 1.61 -0.21 -1.26 -4.90 119.66 119.23 3mkq s GLN 183 Ca 0.00 -2.49 0.46 0.00 0.02 0.00 0.00 55.36 53.35 3mkq s GLN 183 Cb 0.00 -4.95 1.67 0.00 1.00 0.00 0.00 33.01 30.73 3mkq s GLN 183 CO 0.00 -1.69 1.65 0.93 -2.12 0.00 0.00 175.29 174.06 3mkq h GLU 184 N 7.46 0.00 -0.12 2.91 4.39 -1.93 0.75 114.58 128.03 3mkq h GLU 184 Ca 0.26 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3mkq h GLU 184 Cb 0.91 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3mkq h GLU 184 CO 1.17 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 179.56 3mkq n ARG 185 N -4.04 1.62 0.00 2.33 1.74 -1.26 -4.89 116.66 112.16 3mkq n ARG 185 Ca 0.38 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 3mkq n ARG 185 Cb 1.76 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 3mkq n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mkq n GLY 186 N 1.09 1.51 3.27 -0.13 0.00 0.25 -4.67 105.19 106.51 3mkq n GLY 186 Ca 0.16 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.75 3.12 -0.23 1.61 1.01 -0.67 -4.26 120.40 119.24 3mkq s VAL 187 Ca 0.00 -0.63 0.22 0.00 0.00 0.00 0.00 61.98 61.58 3mkq s VAL 187 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3mkq s VAL 187 CO 0.00 0.41 1.05 0.78 0.00 0.00 0.00 175.10 177.34 3mkq h ASN 188 N 8.08 0.00 -5.01 3.32 2.35 -0.85 -3.33 115.58 120.15 3mkq h ASN 188 Ca -0.41 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.28 3mkq h ASN 188 Cb 1.15 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.35 3mkq h ASN 188 CO 0.61 0.04 0.10 -0.47 -1.65 0.00 0.00 177.43 176.05 3mkq s TYR 189 N -3.33 -0.52 -0.01 1.19 5.04 -1.21 -4.46 117.35 114.04 3mkq s TYR 189 Ca -0.00 0.74 -0.05 0.00 -2.44 0.00 0.00 57.07 55.31 3mkq s TYR 189 Cb 0.09 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.78 3mkq s TYR 189 CO 0.79 -0.63 0.11 0.54 -1.34 0.00 0.00 175.55 175.02 3mkq s VAL 190 N -1.91 0.06 -0.01 3.14 0.11 -1.26 -2.42 120.40 118.10 3mkq s VAL 190 Ca -0.08 -0.47 -0.26 0.00 -2.93 0.00 0.00 61.98 58.24 3mkq s VAL 190 Cb -0.01 -0.32 0.06 0.00 -1.53 0.00 0.00 36.38 34.58 3mkq s VAL 190 CO 0.03 -0.26 0.57 -0.62 -3.33 0.00 0.00 175.10 171.49 3mkq s ASP 191 N -0.87 -0.52 0.25 3.54 -1.08 -0.84 -4.77 116.67 112.38 3mkq s ASP 191 Ca -0.10 0.45 0.04 0.00 -0.52 0.00 0.00 52.55 52.42 3mkq s ASP 191 Cb -0.06 0.49 -0.03 0.00 -1.46 0.00 0.00 42.92 41.87 3mkq s ASP 191 CO 0.01 -0.62 0.39 -0.31 0.52 0.00 0.00 175.17 175.15 3mkq s TYR 192 N -1.63 3.46 -0.28 -5.34 1.51 -1.26 -0.99 117.35 112.82 3mkq s TYR 192 Ca -0.10 0.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.79 3mkq s TYR 192 Cb -0.01 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3mkq s TYR 192 CO 0.05 0.40 0.64 -0.47 -1.11 0.00 0.00 175.55 175.05 3mkq s TYR 193 N -2.03 3.24 -2.00 2.71 6.04 -0.83 -4.46 117.35 120.02 3mkq s TYR 193 Ca 0.35 0.70 0.14 0.00 0.04 0.00 0.00 57.07 58.30 3mkq s TYR 193 Cb -0.09 -2.93 0.85 0.00 -1.04 0.00 0.00 41.96 38.75 3mkq s TYR 193 CO 0.30 -0.41 1.32 -0.35 -1.54 0.00 0.00 175.55 174.86 3mkq n PRO 194 N 5.82 0.64 -4.44 4.97 -0.04 -1.26 -4.77 135.00 135.92 3mkq n PRO 194 Ca -0.01 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 3mkq n PRO 194 Cb 0.49 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 3mkq n PRO 194 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mkq s LEU 195 N -1.70 3.14 0.44 1.53 1.43 -1.26 -4.81 118.68 117.44 3mkq s LEU 195 Ca 0.21 -0.19 0.16 0.00 -1.03 0.00 0.00 54.13 53.29 3mkq s LEU 195 Cb 0.10 -1.82 1.09 0.00 0.03 0.00 0.00 46.19 45.60 3mkq s LEU 195 CO 0.17 0.27 1.95 -0.65 0.23 0.00 0.00 176.35 178.31 3mkq h PRO 196 N 4.40 0.34 0.00 1.29 0.11 -1.88 -3.20 132.00 133.06 3mkq h PRO 196 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mkq h PRO 196 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mkq h PRO 196 CO 0.53 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3mkq n ASP 197 N -4.46 0.01 -3.67 -2.05 5.68 -1.26 -4.66 116.55 106.14 3mkq n ASP 197 Ca 0.12 0.50 -0.09 0.00 -0.50 0.00 0.00 54.79 54.83 3mkq n ASP 197 Cb 0.49 -0.51 -0.09 0.00 -1.14 0.00 0.00 41.12 39.87 3mkq n ASP 197 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3mkq s LYS 198 N -3.01 0.54 -1.25 0.11 1.02 -1.21 -5.07 119.74 110.87 3mkq s LYS 198 Ca 0.02 0.98 -0.08 0.00 0.02 0.00 0.00 55.97 56.91 3mkq s LYS 198 Cb 0.03 0.06 0.19 0.00 -0.52 0.00 0.00 37.83 37.59 3mkq s LYS 198 CO 0.10 -0.15 1.85 -0.35 -0.92 0.00 0.00 175.35 175.88 3mkq n PRO 199 N 4.24 3.80 -4.13 -1.68 -0.04 -1.26 -4.78 135.00 131.14 3mkq n PRO 199 Ca -0.22 -3.67 -0.25 0.00 -0.04 0.00 0.00 63.50 59.32 3mkq n PRO 199 Cb 0.57 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 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 -0.16 3.04 0.08 0.54 2.02 -1.25 -1.51 117.35 120.11 3mkq s TYR 200 Ca 0.39 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.03 3mkq s TYR 200 Cb 0.10 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 3mkq s TYR 200 CO 0.01 0.53 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.81 3mkq s MET 201 N -3.23 0.75 0.01 -0.62 -1.94 0.41 -1.97 119.30 112.72 3mkq s MET 201 Ca 0.30 -1.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 3mkq s MET 201 Cb -0.09 -0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.56 3mkq s MET 201 CO 0.22 -0.01 -0.08 -1.50 -0.01 0.00 0.00 175.02 173.64 3mkq s ILE 202 N -3.20 0.65 -0.01 2.53 2.07 -0.16 0.10 121.20 123.17 3mkq s ILE 202 Ca 0.07 -0.53 0.05 0.00 -1.41 0.00 0.00 60.65 58.83 3mkq s ILE 202 Cb 0.02 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 42.02 3mkq s ILE 202 CO -0.04 0.06 -0.15 0.42 -1.91 0.00 0.00 174.94 173.31 3mkq s THR 203 N -0.46 1.19 0.06 4.00 -4.23 0.48 -2.00 115.64 114.69 3mkq s THR 203 Ca 0.01 -0.66 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 3mkq s THR 203 Cb -0.05 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 3mkq s THR 203 CO 0.00 0.32 -0.15 0.00 -0.54 0.00 0.00 174.62 174.26 3mkq s ALA 204 N -0.38 2.75 0.09 3.99 0.00 -1.02 -0.63 121.76 126.57 3mkq s ALA 204 Ca 0.06 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 3mkq s ALA 204 Cb -0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3mkq s ALA 204 CO -0.00 0.60 0.07 0.45 0.00 0.00 0.00 175.76 176.87 3mkq s SER 205 N -1.68 0.32 0.00 0.00 0.15 -1.00 -0.14 113.70 111.35 3mkq s SER 205 Ca 0.17 -0.98 0.22 0.00 0.70 0.00 0.00 55.95 56.06 3mkq s SER 205 Cb -0.11 0.28 1.21 0.00 -1.71 0.00 0.00 66.02 65.69 3mkq s SER 205 CO 0.08 -0.69 1.69 0.47 1.20 0.00 0.00 173.24 175.99 3mkq n ASP 206 N -0.02 0.00 -1.31 5.45 8.00 -1.26 -2.15 116.55 125.26 3mkq n ASP 206 Ca -0.11 -0.38 0.04 0.00 0.71 0.00 0.00 54.79 55.06 3mkq n ASP 206 Cb 0.62 -0.13 0.24 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.13 3.77 0.00 -2.24 3.85 -1.26 -4.47 116.55 115.07 3mkq n ASP 207 Ca 0.14 -2.54 0.00 0.00 -0.71 0.00 0.00 54.79 51.68 3mkq n ASP 207 Cb 0.12 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.29 3mkq n ASP 207 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3mkq n LEU 208 N 0.38 0.44 -4.66 -2.12 4.77 -1.05 -5.01 117.00 109.75 3mkq n LEU 208 Ca 0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 3mkq n LEU 208 Cb 0.80 -1.04 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 3mkq n LEU 208 CO 0.19 -0.34 -0.28 0.42 -1.33 0.00 0.00 177.39 176.06 3mkq s THR 209 N -2.09 2.96 -0.08 -5.08 -4.23 -1.26 -4.36 115.64 101.51 3mkq s THR 209 Ca 0.00 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 3mkq s THR 209 Cb 0.00 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 71.00 3mkq s THR 209 CO 0.00 -0.24 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.09 3mkq s ILE 210 N -2.44 1.13 -0.09 2.99 1.01 -0.97 -2.37 121.20 120.46 3mkq s ILE 210 Ca 0.35 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3mkq s ILE 210 Cb -0.03 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.39 3mkq s ILE 210 CO 0.20 0.36 -0.22 -0.54 0.00 0.00 0.00 174.94 174.75 3mkq s LYS 211 N 0.91 2.79 -0.04 2.79 1.02 0.20 -0.18 119.74 127.23 3mkq s LYS 211 Ca -0.10 -0.79 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 3mkq s LYS 211 Cb -0.15 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 3mkq s LYS 211 CO 0.01 0.16 0.34 0.42 -0.92 0.00 0.00 175.35 175.35 3mkq s ILE 212 N 0.38 5.16 0.10 2.17 -1.09 -0.65 -0.39 121.20 126.89 3mkq s ILE 212 Ca -0.18 0.67 0.05 0.00 -2.23 0.00 0.00 60.65 58.96 3mkq s ILE 212 Cb -0.17 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3mkq s ILE 212 CO 0.08 0.58 -0.12 0.26 -1.23 0.00 0.00 174.94 174.50 3mkq s TRP 213 N -0.97 1.20 -0.51 3.97 0.52 0.28 -1.61 118.94 121.81 3mkq s TRP 213 Ca 0.21 -0.58 -0.10 0.00 0.02 0.00 0.00 56.10 55.66 3mkq s TRP 213 Cb -0.15 -0.65 0.13 0.00 -1.15 0.00 0.00 33.47 31.65 3mkq s TRP 213 CO 0.11 0.06 0.40 0.34 0.02 0.00 0.00 176.95 177.87 3mkq s ASP 214 N -2.29 5.79 0.30 2.95 -1.08 -0.89 -0.44 116.67 121.00 3mkq s ASP 214 Ca 0.05 -2.03 0.22 0.00 -0.52 0.00 0.00 52.55 50.26 3mkq s ASP 214 Cb -0.05 -2.03 1.09 0.00 -1.46 0.00 0.00 42.92 40.47 3mkq s ASP 214 CO 0.02 -0.68 1.66 0.00 0.52 0.00 0.00 175.17 176.69 3mkq n TYR 215 N 4.77 0.73 -0.04 -5.34 0.18 -0.57 0.15 117.16 117.05 3mkq n TYR 215 Ca -0.06 0.36 -0.15 0.00 1.88 0.00 0.00 57.90 59.93 3mkq n TYR 215 Cb 0.41 -1.07 -0.12 0.00 -0.38 0.00 0.00 39.34 38.17 3mkq n TYR 215 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3mkq h GLN 216 N 0.00 0.09 -0.00 -3.48 4.20 -1.93 -3.35 115.11 110.63 3mkq h GLN 216 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3mkq h GLN 216 Cb 0.10 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3mkq h GLN 216 CO 0.00 0.96 -0.65 -2.37 -0.67 0.00 0.00 178.83 176.11 3mkq n THR 217 N -4.54 0.00 -1.48 -0.54 5.66 -0.87 -4.97 114.28 107.54 3mkq n THR 217 Ca -0.10 -0.05 -0.17 0.00 -3.05 0.00 0.00 64.05 60.68 3mkq n THR 217 Cb 0.51 0.66 -0.07 0.00 -1.55 0.00 0.00 70.33 69.88 3mkq n THR 217 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3mkq n LYS 218 N -1.21 -1.46 -3.74 1.09 4.01 0.41 -4.98 118.16 112.28 3mkq n LYS 218 Ca 0.06 1.08 -0.26 0.00 -0.51 0.00 0.00 58.31 58.68 3mkq n LYS 218 Cb 0.35 -5.43 -0.03 0.00 -0.51 0.00 0.00 35.03 29.41 3mkq n LYS 218 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3mkq s SER 219 N -2.66 6.36 -0.45 4.39 0.01 -1.22 -4.88 113.70 115.25 3mkq s SER 219 Ca 0.00 0.32 -0.25 0.00 1.31 0.00 0.00 55.95 57.33 3mkq s SER 219 Cb 0.00 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.28 3mkq s SER 219 CO 0.00 -0.06 0.91 0.00 0.41 0.00 0.00 173.24 174.51 3mkq h VAL 221 N 6.06 1.28 -2.59 0.00 2.07 -1.64 -3.48 116.25 117.95 3mkq h VAL 221 Ca -0.24 -1.39 0.07 0.00 0.82 0.00 0.00 66.70 65.96 3mkq h VAL 221 Cb 1.08 1.33 -0.13 0.00 -1.52 0.00 0.00 31.29 32.05 3mkq h VAL 221 CO 1.02 0.46 0.38 0.00 0.02 0.00 0.00 177.57 179.45 3mkq s ALA 222 N -4.55 -1.69 -0.11 1.67 0.00 -1.24 -5.01 121.76 110.83 3mkq s ALA 222 Ca -0.12 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3mkq s ALA 222 Cb 0.10 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.88 3mkq s ALA 222 CO 0.85 -0.77 -0.12 0.99 0.00 0.00 0.00 175.76 176.70 3mkq s THR 223 N -3.41 1.31 -0.29 0.00 2.01 -1.26 -1.64 115.64 112.36 3mkq s THR 223 Ca 0.05 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3mkq s THR 223 Cb -0.01 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 3mkq s THR 223 CO -0.08 0.41 0.23 -0.76 -0.69 0.00 0.00 174.62 173.72 3mkq s LEU 224 N 1.25 4.10 0.05 4.42 1.02 0.74 -4.96 118.68 125.31 3mkq s LEU 224 Ca -0.02 -0.03 0.09 0.00 0.02 0.00 0.00 54.13 54.20 3mkq s LEU 224 Cb -0.14 -2.17 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 3mkq s LEU 224 CO -0.05 -0.10 -0.26 -1.61 0.02 0.00 0.00 176.35 174.36 3mkq s GLU 225 N 1.81 1.78 0.00 1.70 2.02 -1.26 -2.29 118.70 122.46 3mkq s GLU 225 Ca 0.08 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 53.95 3mkq s GLU 225 Cb -0.16 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.08 3mkq s GLU 225 CO 0.11 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3mkq n GLY 226 N 1.68 1.48 3.76 -1.39 0.00 -1.26 -4.95 105.19 104.51 3mkq n GLY 226 Ca -0.17 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 2.46 -1.35 1.61 3.76 -1.26 -4.93 115.29 115.58 3mkq s HIS 227 Ca 0.00 1.39 0.24 0.00 -0.15 0.00 0.00 55.06 56.54 3mkq s HIS 227 Cb 0.00 -3.73 0.25 0.00 1.11 0.00 0.00 32.58 30.21 3mkq s HIS 227 CO 0.00 -2.58 1.24 -1.33 -0.85 0.00 0.00 174.74 171.21 3mkq n MET 228 N -0.71 0.39 -2.09 1.40 0.00 -1.26 -4.90 117.12 109.96 3mkq n MET 228 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 57.70 57.48 3mkq n MET 228 Cb 0.45 -1.49 -0.01 0.00 0.00 0.00 0.00 33.22 32.17 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 -1.06 -0.18 -4.66 7.83 7.64 -1.26 -4.94 113.62 116.99 3mkq n SER 229 Ca 0.07 -1.32 -0.53 0.00 1.01 0.00 0.00 58.87 58.11 3mkq n SER 229 Cb 0.36 0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.31 2.41 -4.65 6.43 3.02 -1.26 -4.46 115.26 114.44 3mkq n ASN 230 Ca 0.00 1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 55.21 3mkq n ASN 230 Cb 0.09 -1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.00 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 2.32 4.79 0.07 2.41 1.01 -0.92 -0.90 120.40 129.20 3mkq s VAL 231 Ca 0.90 1.74 0.05 0.00 0.00 0.00 0.00 61.98 64.67 3mkq s VAL 231 Cb -0.92 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.04 3mkq s VAL 231 CO 0.54 -0.09 1.11 0.28 0.00 0.00 0.00 175.10 176.94 3mkq h SER 232 N 7.53 0.11 -5.09 3.32 0.02 -0.56 -3.32 113.55 115.55 3mkq h SER 232 Ca -0.23 -0.13 0.16 0.00 -0.84 0.00 0.00 61.79 60.75 3mkq h SER 232 Cb 1.09 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.49 3mkq h SER 232 CO 0.90 1.10 0.50 0.72 -1.14 0.00 0.00 176.83 178.92 3mkq s PHE 233 N -2.67 -0.21 -0.28 3.45 -0.12 -1.13 -4.52 117.98 112.50 3mkq s PHE 233 Ca -0.02 -0.03 -0.17 0.00 -0.05 0.00 0.00 56.93 56.66 3mkq s PHE 233 Cb 0.09 0.60 0.10 0.00 -0.63 0.00 0.00 43.02 43.18 3mkq s PHE 233 CO 0.83 -0.70 0.79 0.00 -0.05 0.00 0.00 175.22 176.10 3mkq s ALA 234 N -3.18 -1.98 0.10 1.99 0.00 -1.25 -1.56 121.76 115.87 3mkq s ALA 234 Ca 0.10 2.30 -0.02 0.00 0.00 0.00 0.00 51.96 54.34 3mkq s ALA 234 Cb -0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3mkq s ALA 234 CO -0.02 -0.36 0.05 0.14 0.00 0.00 0.00 175.76 175.57 3mkq s VAL 235 N 1.37 0.14 -0.11 0.00 -7.23 -0.13 -4.57 120.40 109.88 3mkq s VAL 235 Ca -0.08 -1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 58.14 3mkq s VAL 235 Cb -0.05 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 3mkq s VAL 235 CO -0.16 -0.66 0.45 -0.36 -0.31 0.00 0.00 175.10 174.06 3mkq s PHE 236 N -3.98 3.53 0.52 2.82 0.40 -1.26 -1.40 117.98 118.61 3mkq s PHE 236 Ca 0.16 0.87 -0.21 0.00 -0.60 0.00 0.00 56.93 57.14 3mkq s PHE 236 Cb 0.07 -2.50 -0.06 0.00 0.51 0.00 0.00 43.02 41.04 3mkq s PHE 236 CO -0.04 0.22 1.21 -1.58 0.70 0.00 0.00 175.22 175.74 3mkq s HIS 237 N 0.44 2.59 -0.18 0.36 5.65 -0.05 -4.89 115.29 119.21 3mkq s HIS 237 Ca 0.25 1.50 0.27 0.00 0.25 0.00 0.00 55.06 57.33 3mkq s HIS 237 Cb -0.15 -3.49 0.80 0.00 -1.18 0.00 0.00 32.58 28.56 3mkq s HIS 237 CO 0.10 -2.01 1.78 -1.00 -0.65 0.00 0.00 174.74 172.96 3mkq h PRO 238 N 1.51 0.00 0.00 2.88 0.13 -1.90 -3.41 132.00 131.21 3mkq h PRO 238 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3mkq h PRO 238 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3mkq h PRO 238 CO 0.58 0.02 -0.77 2.41 -0.23 0.00 0.00 178.00 180.01 3mkq n THR 239 N -3.11 0.00 -2.92 1.56 -1.04 -1.26 -4.96 114.28 102.55 3mkq n THR 239 Ca 0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 3mkq n THR 239 Cb 0.43 -0.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.98 3mkq n THR 239 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3mkq s LEU 240 N -5.25 4.08 -1.52 -4.42 1.43 -1.26 -4.30 118.68 107.44 3mkq s LEU 240 Ca 0.00 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 3mkq s LEU 240 Cb 0.00 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 3mkq s LEU 240 CO 0.00 -0.23 2.74 -0.81 0.23 0.00 0.00 176.35 178.28 3mkq n PRO 241 N -0.22 3.37 -4.18 1.29 -0.04 -1.26 -4.40 135.00 129.57 3mkq n PRO 241 Ca 0.04 -2.20 -0.11 0.00 -0.04 0.00 0.00 63.50 61.19 3mkq n PRO 241 Cb 0.53 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.03 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 2.52 0.14 -0.04 0.52 -4.36 -1.26 -1.62 121.20 117.10 3mkq s ILE 242 Ca 0.63 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 59.12 3mkq s ILE 242 Cb 0.17 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 3mkq s ILE 242 CO -0.06 -0.31 -0.18 -0.63 0.24 0.00 0.00 174.94 174.00 3mkq s ILE 243 N -4.03 1.48 -0.14 8.37 1.01 -0.48 -0.87 121.20 126.54 3mkq s ILE 243 Ca 0.29 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3mkq s ILE 243 Cb 0.07 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 3mkq s ILE 243 CO 0.06 0.42 -0.17 -0.63 0.00 0.00 0.00 174.94 174.61 3mkq s ILE 244 N -0.08 2.54 0.26 2.92 -1.09 -0.49 -0.46 121.20 124.80 3mkq s ILE 244 Ca -0.01 -0.83 0.07 0.00 -2.23 0.00 0.00 60.65 57.65 3mkq s ILE 244 Cb -0.11 -2.05 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 3mkq s ILE 244 CO 0.02 0.53 -0.09 -0.94 -1.23 0.00 0.00 174.94 173.22 3mkq s SER 245 N 0.63 2.81 -0.07 3.58 1.04 -0.76 -0.95 113.70 119.97 3mkq s SER 245 Ca -0.09 -1.13 -0.07 0.00 0.48 0.00 0.00 55.95 55.13 3mkq s SER 245 Cb -0.16 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.80 3mkq s SER 245 CO 0.03 -0.26 0.21 -0.83 0.98 0.00 0.00 173.24 173.36 3mkq s GLY 246 N -3.42 -0.14 0.20 7.32 0.00 -0.60 -1.72 107.32 108.95 3mkq s GLY 246 Ca 0.28 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.55 3mkq s GLY 246 CO 0.11 0.45 0.04 -0.45 0.00 0.00 0.00 173.10 173.25 3mkq s SER 247 N -0.02 1.09 0.00 1.64 0.15 -0.51 0.15 113.70 116.20 3mkq s SER 247 Ca -0.01 -1.26 0.21 0.00 0.70 0.00 0.00 55.95 55.59 3mkq s SER 247 Cb -0.02 0.16 1.18 0.00 -1.71 0.00 0.00 66.02 65.63 3mkq s SER 247 CO 0.00 -0.65 1.63 -0.62 1.20 0.00 0.00 173.24 174.81 3mkq n GLU 248 N -0.31 0.54 -0.04 5.44 1.02 -0.07 -1.86 120.64 125.35 3mkq n GLU 248 Ca -0.04 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3mkq n GLU 248 Cb 0.64 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.09 0.49 0.00 1.62 3.85 -1.26 -4.50 116.55 115.66 3mkq n ASP 249 Ca 0.14 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 3mkq n ASP 249 Cb 0.10 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 3mkq n ASP 249 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mkq n GLY 250 N 0.59 0.47 3.77 6.12 0.00 -0.78 -4.96 105.19 110.39 3mkq n GLY 250 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3mkq n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mkq s THR 251 N -2.13 4.45 -0.13 2.61 2.01 -1.23 -4.53 115.64 116.69 3mkq s THR 251 Ca 0.00 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.15 3mkq s THR 251 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3mkq s THR 251 CO 0.00 0.07 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.04 3mkq s LEU 252 N -2.54 2.24 -0.02 4.42 2.01 -0.00 -1.42 118.68 123.36 3mkq s LEU 252 Ca 0.29 -0.54 0.07 0.00 0.01 0.00 0.00 54.13 53.96 3mkq s LEU 252 Cb -0.12 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.59 3mkq s LEU 252 CO 0.22 0.11 -0.22 -0.54 1.01 0.00 0.00 176.35 176.93 3mkq s LYS 253 N 0.63 1.80 -0.17 1.70 1.02 -0.70 -0.34 119.74 123.68 3mkq s LYS 253 Ca -0.11 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 3mkq s LYS 253 Cb -0.16 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 3mkq s LYS 253 CO 0.02 0.46 -0.04 0.42 -0.92 0.00 0.00 175.35 175.30 3mkq s ILE 254 N -0.48 3.77 0.11 2.17 1.01 0.70 -1.83 121.20 126.65 3mkq s ILE 254 Ca 0.08 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.43 3mkq s ILE 254 Cb -0.09 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3mkq s ILE 254 CO -0.01 0.47 -0.19 0.26 0.00 0.00 0.00 174.94 175.48 3mkq s TRP 255 N 0.67 2.52 -0.13 3.97 0.52 0.39 0.10 118.94 126.99 3mkq s TRP 255 Ca -0.02 -0.27 -0.29 0.00 0.02 0.00 0.00 56.10 55.53 3mkq s TRP 255 Cb -0.14 -1.35 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 3mkq s TRP 255 CO 0.02 0.37 1.22 1.21 0.02 0.00 0.00 176.95 179.79 3mkq s ASN 256 N -2.06 7.00 -0.00 2.95 2.47 -1.00 -1.38 114.94 122.92 3mkq s ASN 256 Ca 0.17 1.71 0.00 0.00 0.42 0.00 0.00 52.86 55.17 3mkq s ASN 256 Cb -0.11 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.16 3mkq s ASN 256 CO 0.09 -0.68 0.54 -1.54 -3.72 0.00 0.00 177.10 171.79 3mkq n SER 257 N 6.03 1.02 0.00 -4.21 3.41 -0.64 -0.30 113.62 118.93 3mkq n SER 257 Ca 0.13 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3mkq n SER 257 Cb 0.45 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3mkq n SER 257 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3mkq n SER 258 N -0.01 1.87 0.02 4.04 7.64 -1.26 -4.81 113.62 121.11 3mkq n SER 258 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.91 3mkq n SER 258 Cb 0.25 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 3mkq n SER 258 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3mkq n THR 259 N -1.96 0.96 -1.82 0.44 5.66 -1.22 -4.98 114.28 111.36 3mkq n THR 259 Ca 0.00 -0.66 -0.16 0.00 -3.05 0.00 0.00 64.05 60.17 3mkq n THR 259 Cb 0.23 -0.54 -0.04 0.00 -1.55 0.00 0.00 70.33 68.42 3mkq n THR 259 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 3mkq n TYR 260 N -2.75 -0.32 -4.29 1.09 0.53 0.59 -5.00 117.16 107.01 3mkq n TYR 260 Ca -0.10 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.43 3mkq n TYR 260 Cb 0.79 -3.06 -0.09 0.00 -1.03 0.00 0.00 39.34 35.96 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 -3.99 3.00 0.07 -0.72 1.02 -1.26 -4.87 119.74 113.00 3mkq s LYS 261 Ca 0.00 -0.43 -0.32 0.00 0.02 0.00 0.00 55.97 55.25 3mkq s LYS 261 Cb 0.00 -2.81 -0.11 0.00 -0.52 0.00 0.00 37.83 34.39 3mkq s LYS 261 CO 0.00 0.69 1.86 1.55 -0.92 0.00 0.00 175.35 178.53 3mkq n VAL 262 N 1.90 0.48 -0.01 3.17 3.14 -1.26 -2.36 118.33 123.38 3mkq n VAL 262 Ca -0.17 -0.09 -0.12 0.00 -2.96 0.00 0.00 64.34 61.00 3mkq n VAL 262 Cb 0.53 -2.09 -0.14 0.00 -1.06 0.00 0.00 33.84 31.08 3mkq n VAL 262 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3mkq n GLU 263 N 6.11 0.67 -3.61 1.45 -0.58 0.28 -4.91 120.64 120.06 3mkq n GLU 263 Ca 0.19 0.29 -0.09 0.00 -0.42 0.00 0.00 57.16 57.13 3mkq n GLU 263 Cb 0.36 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.40 3mkq n GLU 263 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3mkq s LYS 264 N -2.59 0.52 -0.17 3.49 2.20 -0.86 -4.97 119.74 117.37 3mkq s LYS 264 Ca -0.09 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.84 3mkq s LYS 264 Cb 0.08 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 3mkq s LYS 264 CO 0.81 -0.12 -0.20 0.99 -0.36 0.00 0.00 175.35 176.47 3mkq s THR 265 N -0.53 2.01 -0.04 3.43 2.01 -1.26 -0.22 115.64 121.03 3mkq s THR 265 Ca 0.01 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.15 3mkq s THR 265 Cb -0.02 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3mkq s THR 265 CO -0.02 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.49 3mkq s LEU 266 N 1.25 2.45 -0.43 4.42 1.43 0.54 -4.98 118.68 123.36 3mkq s LEU 266 Ca 0.03 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3mkq s LEU 266 Cb -0.13 -1.47 0.13 0.00 0.03 0.00 0.00 46.19 44.75 3mkq s LEU 266 CO -0.11 0.33 0.23 0.21 0.23 0.00 0.00 176.35 177.24 3mkq s ASN 267 N -0.66 3.64 0.00 2.29 3.04 -1.26 -0.82 114.94 121.17 3mkq s ASN 267 Ca 0.10 -2.56 0.04 0.00 0.04 0.00 0.00 52.86 50.49 3mkq s ASN 267 Cb -0.10 -1.00 0.24 0.00 -1.54 0.00 0.00 41.25 38.84 3mkq s ASN 267 CO -0.00 -0.28 0.60 1.33 -3.04 0.00 0.00 177.10 175.71 3mkq n VAL 268 N 3.63 0.00 -3.00 -5.21 0.24 -1.26 -4.84 118.33 107.89 3mkq n VAL 268 Ca 0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.23 3mkq n VAL 268 Cb 0.35 -0.65 0.04 0.00 -1.47 0.00 0.00 33.84 32.10 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 -0.41 -0.05 0.08 7.63 0.00 -1.26 -4.94 105.19 106.24 3mkq n GLY 269 Ca 0.03 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.09 1.94 0.00 0.99 4.77 -1.26 -5.04 117.00 115.31 3mkq n LEU 270 Ca -0.03 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 3mkq n LEU 270 Cb 0.56 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3mkq n LEU 270 CO 0.37 0.57 0.00 -0.62 -1.33 0.00 0.00 177.39 176.38 3mkq n GLU 271 N -0.96 0.00 -1.71 3.23 -0.58 -1.26 -2.05 120.64 117.31 3mkq n GLU 271 Ca 0.09 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.40 3mkq n GLU 271 Cb 0.51 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.37 3mkq n GLU 271 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mkq n ARG 272 N 0.00 2.30 -3.59 3.49 1.74 -1.26 -4.13 116.66 115.20 3mkq n ARG 272 Ca 0.00 0.81 -0.37 0.00 -0.77 0.00 0.00 57.85 57.52 3mkq n ARG 272 Cb 0.00 -2.46 -0.07 0.00 -1.02 0.00 0.00 32.46 28.91 3mkq n ARG 272 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mkq s SER 273 N -0.05 6.48 0.00 0.55 0.15 -0.95 -1.54 113.70 118.34 3mkq s SER 273 Ca 0.59 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.80 3mkq s SER 273 Cb -0.56 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3mkq s SER 273 CO 0.58 0.19 0.00 0.79 1.20 0.00 0.00 173.24 176.00 3mkq n TRP 274 N 3.03 0.00 -4.07 3.44 7.02 0.14 -4.27 117.44 122.74 3mkq n TRP 274 Ca -0.14 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.25 3mkq n TRP 274 Cb 0.52 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.33 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 -4.01 0.14 -0.11 0.00 1.10 -1.26 -1.77 121.20 115.30 3mkq s ILE 276 Ca 0.20 -1.17 -0.30 0.00 -0.51 0.00 0.00 60.65 58.87 3mkq s ILE 276 Cb 0.06 -1.29 0.08 0.00 0.15 0.00 0.00 42.46 41.46 3mkq s ILE 276 CO -0.00 -0.65 0.75 0.00 -2.11 0.00 0.00 174.94 172.94 3mkq s ALA 277 N -3.69 -1.81 0.01 1.50 0.00 -0.71 -4.73 121.76 112.33 3mkq s ALA 277 Ca 0.04 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.55 3mkq s ALA 277 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3mkq s ALA 277 CO -0.10 -0.35 -0.16 0.95 0.00 0.00 0.00 175.76 176.10 3mkq s THR 278 N -0.87 1.27 0.05 0.00 -4.23 -1.26 -1.70 115.64 108.89 3mkq s THR 278 Ca -0.07 -0.81 -0.31 0.00 -1.18 0.00 0.00 61.69 59.32 3mkq s THR 278 Cb -0.01 -1.08 -0.10 0.00 1.34 0.00 0.00 72.50 72.65 3mkq s THR 278 CO 0.07 0.26 1.92 1.57 -0.54 0.00 0.00 174.62 177.89 3mkq n HIS 279 N 2.41 2.52 0.15 3.99 -0.00 -0.21 -4.77 115.22 119.32 3mkq n HIS 279 Ca -0.16 -0.26 0.16 0.00 0.46 0.00 0.00 57.72 57.93 3mkq n HIS 279 Cb 0.54 -2.76 0.57 0.00 -0.12 0.00 0.00 29.99 28.22 3mkq n HIS 279 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mkq h PRO 280 N 9.74 0.00 -0.02 1.57 0.13 -1.90 0.19 132.00 141.72 3mkq h PRO 280 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3mkq h PRO 280 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mkq h PRO 280 CO 0.94 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 181.12 3mkq n THR 281 N -3.13 0.11 -1.31 1.56 -1.04 -1.26 -4.98 114.28 104.22 3mkq n THR 281 Ca 0.06 -0.55 -0.08 0.00 -2.04 0.00 0.00 64.05 61.44 3mkq n THR 281 Cb 0.79 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 70.31 3mkq n THR 281 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mkq n GLY 282 N 0.23 0.89 3.67 3.41 0.00 0.68 -4.94 105.19 109.13 3mkq n GLY 282 Ca 0.03 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.68 2.87 -1.45 1.61 0.63 -1.26 -0.21 116.66 116.17 3mkq n ARG 283 Ca -0.08 1.05 -0.16 0.00 -0.92 0.00 0.00 57.85 57.75 3mkq n ARG 283 Cb 0.28 -3.00 -0.07 0.00 0.45 0.00 0.00 32.46 30.12 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 7.20 -1.55 -4.16 -0.14 5.02 -1.26 -1.76 118.16 121.50 3mkq n LYS 284 Ca 0.20 1.03 -0.34 0.00 -2.02 0.00 0.00 58.31 57.18 3mkq n LYS 284 Cb 0.40 -5.40 -0.03 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.16 -2.66 -4.77 4.39 3.02 0.70 -3.45 115.26 111.34 3mkq n ASN 285 Ca -0.16 -1.01 -0.41 0.00 -0.03 0.00 0.00 54.58 52.98 3mkq n ASN 285 Cb 0.62 -2.83 -0.02 0.00 -0.61 0.00 0.00 39.78 36.94 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 -3.45 3.08 0.05 3.10 4.12 -0.73 -2.46 117.35 121.06 3mkq s TYR 286 Ca 0.57 1.39 -0.04 0.00 0.02 0.00 0.00 57.07 59.02 3mkq s TYR 286 Cb -0.31 -3.67 -0.02 0.00 -1.52 0.00 0.00 41.96 36.44 3mkq s TYR 286 CO 0.92 -1.86 0.05 0.96 0.02 0.00 0.00 175.55 175.64 3mkq s ILE 287 N -0.99 0.16 -0.07 2.71 -4.36 -0.38 -1.05 121.20 117.22 3mkq s ILE 287 Ca 0.50 -1.35 -0.11 0.00 -0.26 0.00 0.00 60.65 59.44 3mkq s ILE 287 Cb -0.39 -1.11 0.02 0.00 1.25 0.00 0.00 42.46 42.23 3mkq s ILE 287 CO 0.51 -0.74 0.27 0.00 0.24 0.00 0.00 174.94 175.22 3mkq s ALA 288 N -3.13 -0.67 -0.01 2.27 0.00 -0.69 -0.97 121.76 118.57 3mkq s ALA 288 Ca -0.00 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3mkq s ALA 288 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 3mkq s ALA 288 CO -0.07 -0.17 -0.04 0.45 0.00 0.00 0.00 175.76 175.93 3mkq s SER 289 N -0.37 0.51 -0.07 0.00 0.15 -1.05 -1.74 113.70 111.13 3mkq s SER 289 Ca -0.05 -0.08 -0.13 0.00 0.70 0.00 0.00 55.95 56.39 3mkq s SER 289 Cb -0.03 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 3mkq s SER 289 CO 0.01 0.04 0.33 -0.83 1.20 0.00 0.00 173.24 174.00 3mkq s GLY 290 N -0.03 2.34 0.44 9.45 0.00 -0.73 -2.59 107.32 116.21 3mkq s GLY 290 Ca 0.01 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3mkq s GLY 290 CO -0.00 0.17 0.09 -1.36 0.00 0.00 0.00 173.10 172.01 3mkq s PHE 291 N -0.53 1.81 0.34 1.90 0.08 0.21 0.28 117.98 122.08 3mkq s PHE 291 Ca 0.20 -1.19 0.02 0.00 0.12 0.00 0.00 56.93 56.08 3mkq s PHE 291 Cb -0.15 -1.29 0.61 0.00 -0.57 0.00 0.00 43.02 41.62 3mkq s PHE 291 CO 0.09 -0.14 2.01 -0.44 -0.10 0.00 0.00 175.22 176.63 3mkq h ASP 292 N 1.65 0.76 -0.37 1.36 3.32 -1.14 -1.97 116.42 120.03 3mkq h ASP 292 Ca -0.38 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3mkq h ASP 292 Cb 1.29 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3mkq h ASP 292 CO 0.62 0.55 0.00 0.59 -1.72 0.00 0.00 179.24 179.28 3mkq n ASN 293 N -4.44 3.86 0.00 6.45 3.02 -0.87 -1.29 115.26 121.99 3mkq n ASN 293 Ca 0.07 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 3mkq n ASN 293 Cb 0.04 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.16 0.96 3.25 7.41 0.00 -1.15 -0.86 105.19 114.95 3mkq n GLY 294 Ca 0.20 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.65 1.24 0.01 1.61 -0.71 -0.83 0.67 117.98 117.32 3mkq s PHE 295 Ca 0.00 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 54.82 3mkq s PHE 295 Cb 0.00 -0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 41.09 3mkq s PHE 295 CO 0.00 -0.27 -0.03 -0.08 -1.34 0.00 0.00 175.22 173.50 3mkq s THR 296 N -3.72 0.20 -0.15 -4.49 -1.32 -1.07 -1.97 115.64 103.12 3mkq s THR 296 Ca 0.27 -0.34 -0.01 0.00 -1.21 0.00 0.00 61.69 60.40 3mkq s THR 296 Cb 0.06 -0.22 -0.01 0.00 -1.51 0.00 0.00 72.50 70.83 3mkq s THR 296 CO 0.06 -0.10 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.57 3mkq s VAL 297 N -0.44 3.07 0.18 5.08 1.01 0.61 -2.52 120.40 127.38 3mkq s VAL 297 Ca -0.03 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3mkq s VAL 297 Cb -0.03 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3mkq s VAL 297 CO -0.00 0.50 -0.22 -0.76 0.00 0.00 0.00 175.10 174.63 3mkq s LEU 298 N 0.65 2.42 -0.12 3.92 1.43 -0.14 -1.01 118.68 125.83 3mkq s LEU 298 Ca -0.06 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3mkq s LEU 298 Cb -0.15 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3mkq s LEU 298 CO 0.03 0.06 -0.07 -0.55 0.23 0.00 0.00 176.35 176.05 3mkq s SER 299 N -2.61 4.61 -0.11 2.29 0.15 0.98 -1.25 113.70 117.75 3mkq s SER 299 Ca 0.18 -0.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.65 3mkq s SER 299 Cb -0.07 -1.54 -0.26 0.00 -1.71 0.00 0.00 66.02 62.44 3mkq s SER 299 CO 0.08 0.24 0.39 0.18 1.20 0.00 0.00 173.24 175.33 3mkq n LEU 300 N 3.06 2.53 0.00 3.45 4.77 -1.03 0.17 117.00 129.95 3mkq n LEU 300 Ca -0.18 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3mkq n LEU 300 Cb 0.53 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3mkq n LEU 300 CO 0.30 0.83 0.17 0.61 -1.33 0.00 0.00 177.39 177.97 3mkq n GLY 301 N 1.97 2.00 3.77 -0.72 0.00 -1.26 -0.08 105.19 110.86 3mkq n GLY 301 Ca -0.31 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3mkq n GLY 301 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mkq s ASN 302 N -1.94 6.90 0.18 1.61 3.84 -1.26 -4.56 114.94 119.70 3mkq s ASN 302 Ca 0.09 2.49 0.18 0.00 0.21 0.00 0.00 52.86 55.83 3mkq s ASN 302 Cb -0.01 -2.64 -0.02 0.00 -0.55 0.00 0.00 41.25 38.03 3mkq s ASN 302 CO 0.07 -0.43 1.10 -0.78 -2.79 0.00 0.00 177.10 174.27 3mkq h ASP 303 N 3.40 0.00 -3.95 -4.21 3.58 -1.94 -3.47 116.42 109.83 3mkq h ASP 303 Ca -0.48 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.44 3mkq h ASP 303 Cb 1.22 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.36 3mkq h ASP 303 CO 0.65 0.40 0.65 -1.83 -2.88 0.00 0.00 179.24 176.24 3mkq s GLU 304 N -3.04 3.97 0.59 0.28 -1.05 -1.26 -4.89 118.70 113.30 3mkq s GLU 304 Ca 0.00 2.26 -0.19 0.00 -0.15 0.00 0.00 54.97 56.90 3mkq s GLU 304 Cb 0.08 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.94 3mkq s GLU 304 CO 0.78 -0.53 1.23 -1.25 0.95 0.00 0.00 175.26 176.44 3mkq s PRO 305 N -2.22 2.97 -0.46 -4.83 0.04 -1.26 -5.00 135.00 124.24 3mkq s PRO 305 Ca 0.56 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 63.38 3mkq s PRO 305 Cb -0.40 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.28 3mkq s PRO 305 CO 0.52 -1.22 0.34 0.99 0.04 0.00 0.00 177.00 177.67 3mkq s THR 306 N -1.54 4.36 0.36 1.26 2.01 -1.26 -5.03 115.64 115.79 3mkq s THR 306 Ca 0.77 -1.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 3mkq s THR 306 Cb -0.32 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3mkq s THR 306 CO 0.35 -0.70 0.50 -1.48 -0.69 0.00 0.00 174.62 172.60 3mkq s LEU 307 N 1.41 1.02 -0.28 4.42 0.05 -1.26 -1.27 118.68 122.77 3mkq s LEU 307 Ca 0.05 -1.52 -0.25 0.00 0.05 0.00 0.00 54.13 52.46 3mkq s LEU 307 Cb -0.26 1.55 0.11 0.00 -2.05 0.00 0.00 46.19 45.54 3mkq s LEU 307 CO 0.01 -1.35 0.95 -0.55 -0.55 0.00 0.00 176.35 174.86 3mkq s SER 308 N -3.25 -0.53 -0.20 1.48 0.15 0.62 -4.76 113.70 107.22 3mkq s SER 308 Ca 0.30 1.01 -0.03 0.00 0.70 0.00 0.00 55.95 57.93 3mkq s SER 308 Cb -0.01 1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 65.31 3mkq s SER 308 CO 0.21 -0.18 -0.06 -0.22 1.20 0.00 0.00 173.24 174.20 3mkq s LEU 309 N 0.25 2.90 0.94 3.45 2.96 -1.26 -0.75 118.68 127.17 3mkq s LEU 309 Ca 0.02 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.44 3mkq s LEU 309 Cb -0.05 -1.72 0.16 0.00 0.50 0.00 0.00 46.19 45.08 3mkq s LEU 309 CO -0.04 0.02 1.16 1.51 -1.32 0.00 0.00 176.35 177.69 3mkq s ASP 310 N 1.21 3.23 0.22 3.68 3.84 -0.59 -4.91 116.67 123.35 3mkq s ASP 310 Ca 0.02 0.81 -0.12 0.00 -0.00 0.00 0.00 52.55 53.27 3mkq s ASP 310 Cb -0.14 -1.26 0.29 0.00 -1.38 0.00 0.00 42.92 40.42 3mkq s ASP 310 CO -0.01 -2.71 1.63 -0.65 -0.00 0.00 0.00 175.17 173.42 3mkq h PRO 311 N -1.61 0.03 -0.05 2.11 0.11 -1.86 -2.50 132.00 128.22 3mkq h PRO 311 Ca -0.49 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3mkq h PRO 311 Cb 1.31 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3mkq h PRO 311 CO 0.56 0.02 -0.48 0.28 -0.21 0.00 0.00 178.00 178.16 3mkq h VAL 312 N 0.03 1.34 0.00 3.15 2.07 -1.94 -3.47 116.25 117.43 3mkq h VAL 312 Ca 0.33 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3mkq h VAL 312 Cb 0.53 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3mkq h VAL 312 CO -0.66 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.03 3mkq n GLY 313 N -0.07 1.35 3.55 2.17 0.00 -0.94 -4.95 105.19 106.30 3mkq n GLY 313 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.54 0.01 1.61 1.02 -1.26 -1.66 119.74 123.00 3mkq s LYS 314 Ca 0.00 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 55.72 3mkq s LYS 314 Cb 0.00 -3.85 -0.06 0.00 -0.52 0.00 0.00 37.83 33.40 3mkq s LYS 314 CO 0.00 -0.81 0.43 -1.17 -0.92 0.00 0.00 175.35 172.88 3mkq s LEU 315 N 2.70 4.48 -0.05 3.17 2.96 0.75 -1.53 118.68 131.16 3mkq s LEU 315 Ca 0.23 1.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 3mkq s LEU 315 Cb -0.14 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 43.94 3mkq s LEU 315 CO 0.16 0.31 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.75 3mkq s VAL 316 N -1.05 0.66 0.16 1.68 1.01 0.07 -1.66 120.40 121.26 3mkq s VAL 316 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 3mkq s VAL 316 Cb -0.17 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 3mkq s VAL 316 CO 0.14 0.25 0.22 -1.66 0.00 0.00 0.00 175.10 174.05 3mkq s TRP 317 N 0.82 0.52 0.26 5.22 -2.14 -0.53 -0.27 118.94 122.82 3mkq s TRP 317 Ca -0.12 -0.89 0.11 0.00 2.66 0.00 0.00 56.10 57.86 3mkq s TRP 317 Cb -0.15 -0.17 -0.05 0.00 -3.10 0.00 0.00 33.47 30.01 3mkq s TRP 317 CO 0.01 -0.67 -0.13 -1.54 -2.66 0.00 0.00 176.95 171.96 3mkq s SER 318 N -2.99 3.95 1.95 -2.66 1.04 -0.40 -0.36 113.70 114.22 3mkq s SER 318 Ca 0.19 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3mkq s SER 318 Cb 0.04 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.65 3mkq s SER 318 CO 0.00 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.88 3mkq n GLY 319 N -0.57 3.63 0.03 7.32 0.00 -0.56 -4.56 105.19 110.49 3mkq n GLY 319 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 1.45 -0.02 0.00 -1.26 -4.62 105.19 98.70 3mkq n GLY 320 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 3mkq n GLY 320 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mkq n LYS 321 N 0.44 0.00 -0.96 1.61 2.85 -1.26 -1.21 118.16 119.63 3mkq n LYS 321 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3mkq n LYS 321 Cb 0.00 -0.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.95 3mkq n LYS 321 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3mkq n ASN 322 N 0.86 -2.62 -4.06 -5.58 2.85 -1.26 -4.99 115.26 100.46 3mkq n ASN 322 Ca 0.08 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.42 3mkq n ASN 322 Cb 0.11 -1.06 -0.11 0.00 1.24 0.00 0.00 39.78 39.96 3mkq n ASN 322 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mkq s ALA 323 N -2.20 0.54 0.43 5.20 0.00 -0.35 -4.71 121.76 120.67 3mkq s ALA 323 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 3mkq s ALA 323 Cb 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 3mkq s ALA 323 CO 0.00 -0.06 0.99 0.00 0.00 0.00 0.00 175.76 176.69 3mkq s ALA 324 N -1.56 3.01 0.40 0.00 0.00 -1.26 -4.40 121.76 117.95 3mkq s ALA 324 Ca -0.09 0.51 0.23 0.00 0.00 0.00 0.00 51.96 52.61 3mkq s ALA 324 Cb -0.09 -3.20 1.25 0.00 0.00 0.00 0.00 23.12 21.08 3mkq s ALA 324 CO -0.00 -0.04 1.68 0.00 0.00 0.00 0.00 175.76 177.40 3mkq h ALA 325 N 2.02 2.40 -0.09 0.00 0.00 -1.92 -0.20 119.26 121.46 3mkq h ALA 325 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mkq h ALA 325 Cb 1.20 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3mkq h ALA 325 CO 0.61 -0.95 0.00 -1.13 0.00 0.00 0.00 179.25 177.78 3mkq n SER 326 N -4.74 1.08 -4.75 0.00 3.41 -1.26 -3.04 113.62 104.31 3mkq n SER 326 Ca 0.32 -1.57 -0.39 0.00 -0.26 0.00 0.00 58.87 56.97 3mkq n SER 326 Cb 1.15 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.98 3mkq n SER 326 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3mkq s ASP 327 N -1.63 6.97 -0.12 4.04 1.01 -0.09 -2.18 116.67 124.67 3mkq s ASP 327 Ca 0.32 1.15 -0.02 0.00 0.71 0.00 0.00 52.55 54.71 3mkq s ASP 327 Cb 0.17 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3mkq s ASP 327 CO 0.26 0.06 -0.03 -0.63 0.21 0.00 0.00 175.17 175.04 3mkq s ILE 328 N -0.00 3.98 0.26 0.77 -1.09 -1.26 -1.49 121.20 122.37 3mkq s ILE 328 Ca 0.32 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 3mkq s ILE 328 Cb -0.18 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 3mkq s ILE 328 CO 0.17 0.54 0.02 -0.36 -1.23 0.00 0.00 174.94 174.08 3mkq s PHE 329 N -0.16 1.67 0.10 3.97 0.40 0.51 -0.29 117.98 124.18 3mkq s PHE 329 Ca 0.03 -0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 55.29 3mkq s PHE 329 Cb -0.13 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.41 3mkq s PHE 329 CO 0.02 -0.05 0.27 0.99 0.70 0.00 0.00 175.22 177.15 3mkq s THR 330 N -3.42 0.11 -0.18 0.64 2.01 -0.64 -1.45 115.64 112.71 3mkq s THR 330 Ca 0.32 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 3mkq s THR 330 Cb 0.07 -1.24 0.12 0.00 0.01 0.00 0.00 72.50 71.46 3mkq s THR 330 CO 0.11 -0.51 0.99 0.00 -0.69 0.00 0.00 174.62 174.52 3mkq s ALA 331 N -3.72 -1.93 -0.14 7.40 0.00 -0.67 -1.11 121.76 121.59 3mkq s ALA 331 Ca 0.03 1.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 3mkq s ALA 331 Cb 0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3mkq s ALA 331 CO -0.11 -0.30 -0.05 0.08 0.00 0.00 0.00 175.76 175.38 3mkq s VAL 332 N -0.87 3.76 -0.49 0.00 1.01 -1.26 -0.18 120.40 122.37 3mkq s VAL 332 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 3mkq s VAL 332 Cb -0.01 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.77 3mkq s VAL 332 CO 0.01 0.51 1.03 -0.63 0.00 0.00 0.00 175.10 176.01 3mkq s ILE 333 N 0.23 4.32 0.16 2.22 1.01 -0.66 -4.82 121.20 123.65 3mkq s ILE 333 Ca -0.03 0.88 -0.06 0.00 0.00 0.00 0.00 60.65 61.44 3mkq s ILE 333 Cb -0.14 -4.53 -0.09 0.00 0.01 0.00 0.00 42.46 37.70 3mkq s ILE 333 CO 0.03 -0.98 1.43 0.03 0.00 0.00 0.00 174.94 175.46 3mkq h ARG 334 N 9.21 0.62 0.00 2.79 2.47 -1.97 -3.46 114.38 124.03 3mkq h ARG 334 Ca -0.24 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.04 3mkq h ARG 334 Cb 1.07 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 3mkq h ARG 334 CO 1.08 1.06 0.00 0.41 0.56 0.00 0.00 179.97 183.08 3mkq n GLY 335 N 0.43 1.02 0.03 0.04 0.00 -1.26 -4.95 105.19 100.50 3mkq n GLY 335 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mkq n GLY 335 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mkq n ASN 336 N 0.00 1.11 -4.66 1.61 2.04 -1.26 -4.97 115.26 109.13 3mkq n ASN 336 Ca 0.00 -1.08 -0.47 0.00 -0.44 0.00 0.00 54.58 52.59 3mkq n ASN 336 Cb 0.00 -0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 3mkq n ASN 336 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 3mkq n GLU 337 N 0.02 2.02 -0.06 -3.83 0.00 -1.26 -4.89 120.64 112.63 3mkq n GLU 337 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 57.16 57.79 3mkq n GLU 337 Cb 0.03 -2.50 0.03 0.00 0.00 0.00 0.00 31.44 29.00 3mkq n GLU 337 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3mkq h GLU 338 N 6.33 0.76 0.00 3.44 4.39 -1.97 -3.48 114.58 124.04 3mkq h GLU 338 Ca -0.46 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 58.83 3mkq h GLU 338 Cb 1.27 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3mkq h GLU 338 CO 0.89 1.04 0.00 0.28 -1.16 0.00 0.00 179.01 180.06 3mkq n VAL 339 N -4.03 0.00 -2.17 3.13 0.31 -1.26 -5.00 118.33 109.32 3mkq n VAL 339 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 3mkq n VAL 339 Cb 0.55 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.58 3mkq n VAL 339 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3mkq s GLU 340 N 0.00 1.83 0.42 5.55 0.41 -1.26 -4.99 118.70 120.66 3mkq s GLU 340 Ca 0.00 -0.35 0.22 0.00 -0.41 0.00 0.00 54.97 54.43 3mkq s GLU 340 Cb 0.00 -2.11 0.82 0.00 -1.78 0.00 0.00 34.13 31.07 3mkq s GLU 340 CO 0.00 -1.52 1.79 0.37 -0.49 0.00 0.00 175.26 175.41 3mkq h GLN 341 N -0.83 0.00 -0.00 1.61 4.15 -1.94 -2.99 115.11 115.11 3mkq h GLN 341 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3mkq h GLN 341 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 3mkq h GLN 341 CO 0.54 0.27 -0.82 -0.40 -1.93 0.00 0.00 178.83 176.50 3mkq n ASP 342 N -3.43 1.05 -4.82 -0.69 5.75 -1.26 -4.77 116.55 108.38 3mkq n ASP 342 Ca 0.00 -0.94 -0.31 0.00 -0.01 0.00 0.00 54.79 53.53 3mkq n ASP 342 Cb 0.46 0.77 -0.06 0.00 -1.03 0.00 0.00 41.12 41.26 3mkq n ASP 342 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3mkq s GLU 343 N -2.91 3.08 0.53 0.11 8.01 -1.13 -5.11 118.70 121.28 3mkq s GLU 343 Ca 0.10 -0.57 -0.17 0.00 0.01 0.00 0.00 54.97 54.34 3mkq s GLU 343 Cb 0.17 -2.85 -0.07 0.00 -4.31 0.00 0.00 34.13 27.07 3mkq s GLU 343 CO 0.79 0.60 1.01 -1.25 0.01 0.00 0.00 175.26 176.42 3mkq s PRO 344 N -2.27 3.73 0.36 0.39 0.04 -1.26 -4.43 135.00 131.56 3mkq s PRO 344 Ca 0.29 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.18 3mkq s PRO 344 Cb -0.12 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3mkq s PRO 344 CO 0.22 -0.46 1.09 -0.51 0.04 0.00 0.00 177.00 177.37 3mkq s LEU 345 N -4.07 4.28 -0.46 -3.56 1.02 0.22 -4.88 118.68 111.23 3mkq s LEU 345 Ca 0.62 2.17 -0.18 0.00 0.02 0.00 0.00 54.13 56.76 3mkq s LEU 345 Cb -0.13 -3.98 0.05 0.00 0.02 0.00 0.00 46.19 42.15 3mkq s LEU 345 CO 0.30 -0.41 0.50 -0.55 0.02 0.00 0.00 176.35 176.21 3mkq s SER 346 N -1.27 6.20 -0.06 2.29 0.15 -1.26 -4.56 113.70 115.18 3mkq s SER 346 Ca 0.53 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.27 3mkq s SER 346 Cb -0.27 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3mkq s SER 346 CO 0.34 -0.71 -0.04 -0.76 1.20 0.00 0.00 173.24 173.27 3mkq s LEU 347 N 2.20 3.34 -0.48 3.45 1.43 -1.26 -5.02 118.68 122.34 3mkq s LEU 347 Ca 0.11 0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 52.98 3mkq s LEU 347 Cb -0.19 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.28 3mkq s LEU 347 CO 0.11 0.36 0.99 -1.10 0.23 0.00 0.00 176.35 176.94 3mkq s GLN 348 N -0.94 3.55 0.55 1.70 -0.21 -1.26 -5.01 119.66 118.04 3mkq s GLN 348 Ca 0.14 0.21 -0.07 0.00 0.02 0.00 0.00 55.36 55.66 3mkq s GLN 348 Cb -0.11 -3.94 -0.02 0.00 1.00 0.00 0.00 33.01 29.93 3mkq s GLN 348 CO 0.03 -1.32 0.88 0.99 -2.12 0.00 0.00 175.29 173.75 3mkq s THR 349 N 4.02 4.46 -0.10 -0.19 2.01 -1.26 -4.50 115.64 120.08 3mkq s THR 349 Ca 0.39 0.30 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 3mkq s THR 349 Cb -0.09 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.71 3mkq s THR 349 CO 0.27 -0.80 0.25 -0.75 -0.69 0.00 0.00 174.62 172.90 3mkq s LYS 350 N -4.93 0.25 0.51 4.92 2.20 -0.27 -4.97 119.74 117.45 3mkq s LYS 350 Ca 0.51 0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 56.40 3mkq s LYS 350 Cb -0.11 0.00 -0.08 0.00 -1.51 0.00 0.00 37.83 36.14 3mkq s LYS 350 CO 0.47 -0.10 1.00 -1.21 -0.36 0.00 0.00 175.35 175.15 3mkq s GLU 351 N 0.73 3.85 0.15 4.03 2.02 -1.26 -1.62 118.70 126.60 3mkq s GLU 351 Ca -0.05 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.02 3mkq s GLU 351 Cb -0.06 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 3mkq s GLU 351 CO -0.04 -0.36 0.02 -0.51 0.02 0.00 0.00 175.26 174.39 3mkq s LEU 352 N -3.94 1.99 -0.82 1.80 1.43 0.60 -4.91 118.68 114.83 3mkq s LEU 352 Ca 0.61 -1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 3mkq s LEU 352 Cb -0.12 0.11 -0.19 0.00 0.03 0.00 0.00 46.19 46.03 3mkq s LEU 352 CO 0.28 -0.64 2.37 0.61 0.23 0.00 0.00 176.35 179.20 3mkq n GLY 353 N -0.16 -0.23 3.42 -3.19 0.00 -1.26 -4.13 105.19 99.65 3mkq n GLY 353 Ca -0.06 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3mkq n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mkq n SER 354 N 14.02 -1.36 -4.62 1.61 3.41 -1.26 -4.81 113.62 120.61 3mkq n SER 354 Ca 0.53 0.89 -0.25 0.00 -0.26 0.00 0.00 58.87 59.77 3mkq n SER 354 Cb 0.33 -1.05 0.11 0.00 -0.26 0.00 0.00 64.21 63.34 3mkq n SER 354 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3mkq s VAL 355 N -1.51 2.17 -1.24 -3.33 -7.23 -0.93 -4.98 120.40 103.35 3mkq s VAL 355 Ca 0.62 -0.37 0.17 0.00 -1.81 0.00 0.00 61.98 60.60 3mkq s VAL 355 Cb -0.62 -2.80 0.57 0.00 0.56 0.00 0.00 36.38 34.09 3mkq s VAL 355 CO 0.59 0.00 1.48 0.47 -0.31 0.00 0.00 175.10 177.33 3mkq n ASP 356 N -3.06 3.94 -4.24 4.85 8.00 -1.26 -4.89 116.55 119.89 3mkq n ASP 356 Ca 0.13 -2.24 -0.18 0.00 0.71 0.00 0.00 54.79 53.21 3mkq n ASP 356 Cb 0.60 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 3mkq n ASP 356 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3mkq s VAL 357 N -1.44 0.55 -0.41 2.53 -7.23 -1.26 -5.09 120.40 108.05 3mkq s VAL 357 Ca 0.42 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 3mkq s VAL 357 Cb 0.25 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.61 3mkq s VAL 357 CO 0.24 0.00 1.13 0.12 -0.31 0.00 0.00 175.10 176.28 3mkq s PHE 358 N -3.66 2.92 -0.20 2.82 5.36 -1.26 -4.63 117.98 119.33 3mkq s PHE 358 Ca 0.37 0.89 -0.29 0.00 -0.96 0.00 0.00 56.93 56.94 3mkq s PHE 358 Cb 0.07 -4.15 -0.03 0.00 -0.34 0.00 0.00 43.02 38.56 3mkq s PHE 358 CO 0.15 -1.13 1.73 -1.25 -1.46 0.00 0.00 175.22 173.26 3mkq s PRO 359 N 4.18 3.73 -0.01 10.12 0.04 -1.26 -4.39 135.00 147.41 3mkq s PRO 359 Ca 0.48 1.79 0.17 0.00 0.04 0.00 0.00 61.00 63.47 3mkq s PRO 359 Cb -0.09 -4.09 -0.21 0.00 0.04 0.00 0.00 34.50 30.14 3mkq s PRO 359 CO 0.26 -1.38 0.58 0.00 0.04 0.00 0.00 177.00 176.50 3mkq n GLN 360 N 7.81 1.15 -3.68 4.56 10.64 -0.48 -4.94 117.38 132.44 3mkq n GLN 360 Ca 0.20 -0.06 -0.12 0.00 -1.83 0.00 0.00 57.00 55.20 3mkq n GLN 360 Cb 0.45 -1.33 -0.09 0.00 -0.86 0.00 0.00 30.24 28.41 3mkq n GLN 360 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3mkq s SER 361 N -3.10 -0.64 -0.16 2.61 0.15 -1.15 -4.98 113.70 106.44 3mkq s SER 361 Ca 0.01 1.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 3mkq s SER 361 Cb 0.12 1.11 0.07 0.00 -1.71 0.00 0.00 66.02 65.61 3mkq s SER 361 CO 0.69 -0.20 0.19 -0.22 1.20 0.00 0.00 173.24 174.89 3mkq s LEU 362 N 0.78 -0.05 -0.06 3.45 0.20 -1.25 -0.18 118.68 121.57 3mkq s LEU 362 Ca -0.04 -0.04 -0.03 0.00 0.69 0.00 0.00 54.13 54.70 3mkq s LEU 362 Cb -0.05 0.28 0.03 0.00 -0.43 0.00 0.00 46.19 46.02 3mkq s LEU 362 CO -0.06 -0.30 0.14 0.00 -0.29 0.00 0.00 176.35 175.84 3mkq s ALA 363 N 2.30 -0.27 0.82 5.97 0.00 0.05 -4.39 121.76 126.22 3mkq s ALA 363 Ca 0.05 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 3mkq s ALA 363 Cb -0.14 -0.40 0.08 0.00 0.00 0.00 0.00 23.12 22.66 3mkq s ALA 363 CO -0.09 -0.13 1.10 -1.01 0.00 0.00 0.00 175.76 175.62 3mkq s HIS 364 N 0.91 2.41 0.72 0.00 3.76 -1.26 -0.54 115.29 121.30 3mkq s HIS 364 Ca -0.07 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.24 3mkq s HIS 364 Cb -0.09 -3.10 0.02 0.00 1.11 0.00 0.00 32.58 30.52 3mkq s HIS 364 CO -0.04 -2.05 1.08 -1.54 -0.85 0.00 0.00 174.74 171.33 3mkq s SER 365 N -3.31 5.22 0.32 1.40 1.04 0.99 -4.86 113.70 114.49 3mkq s SER 365 Ca 0.62 1.31 0.06 0.00 0.48 0.00 0.00 55.95 58.43 3mkq s SER 365 Cb -0.18 -2.14 0.74 0.00 0.10 0.00 0.00 66.02 64.54 3mkq s SER 365 CO 0.57 -1.51 1.81 -0.65 0.98 0.00 0.00 173.24 174.44 3mkq h PRO 366 N -0.77 0.76 0.00 4.02 0.11 -1.84 -0.37 132.00 133.91 3mkq h PRO 366 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mkq h PRO 366 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mkq h PRO 366 CO 0.61 0.50 0.00 0.27 -0.21 0.00 0.00 178.00 179.17 3mkq n ASN 367 N -4.67 0.70 0.00 -2.05 2.04 -1.26 -4.70 115.26 105.32 3mkq n ASN 367 Ca 0.21 0.57 0.00 0.00 -0.44 0.00 0.00 54.58 54.92 3mkq n ASN 367 Cb 0.52 -0.76 0.00 0.00 -2.53 0.00 0.00 39.78 37.01 3mkq n ASN 367 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3mkq n GLY 368 N 1.22 0.89 0.19 4.83 0.00 -0.15 -4.78 105.19 107.40 3mkq n GLY 368 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3mkq n GLY 368 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mkq h ARG 369 N 3.72 0.00 -5.07 1.61 3.08 -1.91 -3.41 114.38 112.40 3mkq h ARG 369 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3mkq h ARG 369 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 3mkq h ARG 369 CO 0.00 0.36 -0.65 -0.06 -1.07 0.00 0.00 179.97 178.55 3mkq s PHE 370 N -3.98 1.58 -0.01 3.04 0.40 -1.26 -0.75 117.98 116.99 3mkq s PHE 370 Ca -0.02 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 3mkq s PHE 370 Cb 0.13 -0.93 0.02 0.00 0.51 0.00 0.00 43.02 42.75 3mkq s PHE 370 CO 0.70 -0.07 0.00 0.08 0.70 0.00 0.00 175.22 176.63 3mkq s VAL 371 N -3.45 0.09 -0.05 -0.44 1.01 -0.53 -0.01 120.40 117.02 3mkq s VAL 371 Ca 0.30 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.38 3mkq s VAL 371 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 3mkq s VAL 371 CO 0.10 0.08 -0.21 -0.89 0.00 0.00 0.00 175.10 174.18 3mkq s THR 372 N 0.56 2.48 -0.15 3.92 2.01 0.30 -1.13 115.64 123.64 3mkq s THR 372 Ca -0.05 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.04 3mkq s THR 372 Cb -0.08 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.51 3mkq s THR 372 CO -0.01 0.58 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.61 3mkq s VAL 373 N -0.42 2.29 -0.04 3.82 1.01 -0.22 -0.77 120.40 126.07 3mkq s VAL 373 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3mkq s VAL 373 Cb -0.12 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3mkq s VAL 373 CO 0.02 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3mkq s VAL 374 N 0.83 3.77 0.00 2.92 1.01 0.75 -1.07 120.40 128.62 3mkq s VAL 374 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3mkq s VAL 374 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3mkq s VAL 374 CO -0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3mkq n GLY 375 N 1.95 1.94 3.97 4.51 0.00 0.24 -1.38 105.19 116.42 3mkq n GLY 375 Ca -0.17 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3mkq n GLY 375 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mkq n ASP 376 N 0.00 -4.55 0.00 1.61 8.00 -1.26 -0.35 116.55 119.99 3mkq n ASP 376 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3mkq n ASP 376 Cb 0.00 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 3mkq n ASP 376 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mkq n GLY 377 N -1.64 0.47 3.54 0.44 0.00 -1.25 -4.99 105.19 101.76 3mkq n GLY 377 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.49 1.80 -0.03 1.61 2.02 0.52 0.15 118.70 124.29 3mkq s GLU 378 Ca 0.00 -1.97 -0.06 0.00 0.02 0.00 0.00 54.97 52.96 3mkq s GLU 378 Cb 0.00 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.74 3mkq s GLU 378 CO 0.00 0.02 0.14 1.52 0.02 0.00 0.00 175.26 176.97 3mkq s TYR 379 N -2.79 -0.06 -0.03 1.61 -0.85 0.77 -0.60 117.35 115.40 3mkq s TYR 379 Ca 0.33 0.13 0.01 0.00 -0.52 0.00 0.00 57.07 57.02 3mkq s TYR 379 Cb 0.06 0.00 0.02 0.00 0.38 0.00 0.00 41.96 42.42 3mkq s TYR 379 CO 0.16 -0.19 -0.03 0.08 -1.52 0.00 0.00 175.55 174.06 3mkq s VAL 380 N -0.68 0.36 -0.12 -3.49 1.01 -0.23 -1.75 120.40 115.49 3mkq s VAL 380 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3mkq s VAL 380 Cb -0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3mkq s VAL 380 CO 0.01 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.55 3mkq s ILE 381 N 0.78 3.37 0.24 2.22 1.01 0.10 -1.05 121.20 127.87 3mkq s ILE 381 Ca -0.09 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.11 3mkq s ILE 381 Cb -0.12 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 3mkq s ILE 381 CO -0.01 0.54 -0.20 -0.31 0.00 0.00 0.00 174.94 174.96 3mkq s TYR 382 N 0.05 2.18 -0.36 3.97 1.51 -0.28 0.49 117.35 124.91 3mkq s TYR 382 Ca -0.03 -0.38 -0.19 0.00 -1.01 0.00 0.00 57.07 55.46 3mkq s TYR 382 Cb -0.14 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 3mkq s TYR 382 CO 0.04 0.60 0.55 0.99 -1.11 0.00 0.00 175.55 176.62 3mkq s THR 383 N -2.36 4.97 0.37 -0.71 2.01 -0.26 -1.45 115.64 118.21 3mkq s THR 383 Ca 0.26 0.38 0.18 0.00 0.31 0.00 0.00 61.69 62.82 3mkq s THR 383 Cb -0.05 -4.01 0.37 0.00 0.01 0.00 0.00 72.50 68.82 3mkq s THR 383 CO 0.12 -0.27 1.68 0.00 -0.69 0.00 0.00 174.62 175.47 3mkq h ALA 384 N 8.49 2.15 -3.00 7.40 0.00 -1.18 -2.16 119.26 130.96 3mkq h ALA 384 Ca -0.27 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mkq h ALA 384 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mkq h ALA 384 CO 0.80 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 180.62 3mkq n LEU 385 N -4.87 0.00 -2.17 0.00 4.77 -1.26 -3.60 117.00 109.86 3mkq n LEU 385 Ca 0.31 0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 56.46 3mkq n LEU 385 Cb 1.03 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.18 3mkq n LEU 385 CO 0.16 0.00 0.93 0.00 -1.33 0.00 0.00 177.39 177.15 3mkq n ALA 386 N -0.98 5.75 -3.85 -1.18 0.00 -1.24 -4.96 120.51 114.06 3mkq n ALA 386 Ca 0.00 -3.58 -0.26 0.00 0.00 0.00 0.00 53.44 49.60 3mkq n ALA 386 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.85 -0.84 -4.32 0.00 -0.00 -0.82 -4.92 117.44 105.69 3mkq n TRP 387 Ca 0.55 0.09 -0.34 0.00 -0.00 0.00 0.00 57.50 57.79 3mkq n TRP 387 Cb 0.81 -1.59 -0.11 0.00 -0.00 0.00 0.00 31.31 30.42 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 -6.07 3.59 0.30 5.87 0.52 -1.17 -4.80 118.95 117.19 3mkq s ARG 388 Ca 0.25 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.71 3mkq s ARG 388 Cb -0.14 -2.94 -0.14 0.00 0.52 0.00 0.00 34.95 32.25 3mkq s ARG 388 CO 0.56 0.34 1.06 -1.71 0.02 0.00 0.00 175.30 175.58 3mkq n ASN 389 N 3.24 1.58 0.00 0.23 2.85 -1.26 -1.10 115.26 120.79 3mkq n ASN 389 Ca -0.17 1.18 0.00 0.00 -0.11 0.00 0.00 54.58 55.48 3mkq n ASN 389 Cb 0.53 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 40.22 3mkq n ASN 389 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3mkq n LYS 390 N 0.70 0.00 -3.83 1.20 3.00 0.18 -4.77 118.16 114.63 3mkq n LYS 390 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.32 3mkq n LYS 390 Cb 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.72 3mkq n LYS 390 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3mkq s ALA 391 N -1.99 -0.93 -0.12 3.14 0.00 -0.91 -4.97 121.76 115.98 3mkq s ALA 391 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 3mkq s ALA 391 Cb 0.00 0.76 0.13 0.00 0.00 0.00 0.00 23.12 24.00 3mkq s ALA 391 CO 0.00 -1.01 1.04 -0.59 0.00 0.00 0.00 175.76 175.20 3mkq s PHE 392 N -3.03 -0.27 -0.30 0.00 -0.12 -1.26 -0.72 117.98 112.28 3mkq s PHE 392 Ca 0.14 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 3mkq s PHE 392 Cb -0.05 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 3mkq s PHE 392 CO 0.10 -0.36 0.00 0.41 -0.05 0.00 0.00 175.22 175.32 3mkq n GLY 393 N 0.09 -1.23 3.91 1.99 0.00 -0.72 -4.98 105.19 104.25 3mkq n GLY 393 Ca -0.06 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.63 3.55 0.00 1.61 1.02 -1.26 -0.17 119.74 123.87 3mkq s LYS 394 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.76 3mkq s LYS 394 Cb 0.00 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 3mkq s LYS 394 CO 0.00 0.51 0.00 0.00 -0.92 0.00 0.00 175.35 174.94 3mkq n GLN 396 N -0.01 1.12 -3.65 0.00 6.02 0.32 -3.69 117.38 117.49 3mkq n GLN 396 Ca 0.00 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.79 3mkq n GLN 396 Cb 0.00 -1.27 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 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 -3.71 -0.32 -0.06 1.08 -1.08 -1.25 -4.98 116.67 106.35 3mkq s ASP 397 Ca -0.05 0.07 -0.05 0.00 -0.52 0.00 0.00 52.55 52.00 3mkq s ASP 397 Cb 0.06 0.43 0.02 0.00 -1.46 0.00 0.00 42.92 41.96 3mkq s ASP 397 CO 0.46 -0.65 0.16 0.12 0.52 0.00 0.00 175.17 175.78 3mkq s PHE 398 N -2.29 -0.18 -0.12 -5.34 5.36 -1.26 -2.42 117.98 111.73 3mkq s PHE 398 Ca -0.06 0.44 -0.09 0.00 -0.96 0.00 0.00 56.93 56.26 3mkq s PHE 398 Cb -0.01 0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.76 3mkq s PHE 398 CO -0.01 -0.09 0.31 0.14 -1.46 0.00 0.00 175.22 174.10 3mkq s VAL 399 N 0.20 -0.02 0.54 3.12 -7.23 -0.94 -5.00 120.40 111.07 3mkq s VAL 399 Ca -0.01 0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 60.04 3mkq s VAL 399 Cb -0.02 -0.45 -0.06 0.00 0.56 0.00 0.00 36.38 36.41 3mkq s VAL 399 CO -0.01 0.03 1.08 0.26 -0.31 0.00 0.00 175.10 176.16 3mkq s TRP 400 N 0.75 2.83 0.50 2.82 0.52 -1.26 -1.12 118.94 123.98 3mkq s TRP 400 Ca -0.05 1.55 0.01 0.00 0.02 0.00 0.00 56.10 57.64 3mkq s TRP 400 Cb -0.06 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 29.12 3mkq s TRP 400 CO -0.05 -1.24 0.72 0.20 0.02 0.00 0.00 176.95 176.60 3mkq s GLY 401 N -2.04 1.72 0.53 0.98 0.00 -0.15 -4.48 107.32 103.88 3mkq s GLY 401 Ca 0.69 -1.23 0.26 0.00 0.00 0.00 0.00 44.72 44.44 3mkq s GLY 401 CO 0.26 -1.00 2.10 -0.56 0.00 0.00 0.00 173.10 173.91 3mkq h PRO 402 N 0.23 0.00 -0.97 2.90 0.13 -1.88 -2.21 132.00 130.20 3mkq h PRO 402 Ca -0.44 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.97 3mkq h PRO 402 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3mkq h PRO 402 CO 0.54 0.10 0.79 0.22 -0.23 0.00 0.00 178.00 179.42 3mkq h ASP 403 N 0.00 0.00 -0.17 1.44 1.82 -1.93 -3.45 116.42 114.13 3mkq h ASP 403 Ca -0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 3mkq h ASP 403 Cb 0.26 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 3mkq h ASP 403 CO 0.01 0.00 -0.07 -0.24 -1.61 0.00 0.00 179.24 177.33 3mkq n SER 404 N -3.96 -4.22 0.00 2.28 2.88 -0.83 -4.66 113.62 105.10 3mkq n SER 404 Ca 0.21 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 3mkq n SER 404 Cb 1.12 -2.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3mkq n SER 404 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3mkq n ASN 405 N -0.05 0.52 -4.92 -3.46 5.15 -1.26 -4.62 115.26 106.61 3mkq n ASN 405 Ca -0.04 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.68 3mkq n ASN 405 Cb 0.25 0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.56 3mkq n ASN 405 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3mkq s SER 406 N -2.87 5.13 0.11 1.20 1.04 -1.26 -4.28 113.70 112.77 3mkq s SER 406 Ca 0.00 0.65 -0.25 0.00 0.48 0.00 0.00 55.95 56.83 3mkq s SER 406 Cb 0.00 -1.42 0.08 0.00 0.10 0.00 0.00 66.02 64.78 3mkq s SER 406 CO 0.00 -1.41 0.74 -0.72 0.98 0.00 0.00 173.24 172.83 3mkq s TYR 407 N -3.20 -0.41 0.03 5.02 -0.85 -0.80 -0.98 117.35 116.16 3mkq s TYR 407 Ca 0.58 0.19 0.09 0.00 -0.52 0.00 0.00 57.07 57.41 3mkq s TYR 407 Cb -0.11 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 3mkq s TYR 407 CO 0.46 -0.78 -0.25 0.00 -1.52 0.00 0.00 175.55 173.46 3mkq s ALA 408 N -3.51 2.14 0.37 9.51 0.00 -0.27 -0.39 121.76 129.60 3mkq s ALA 408 Ca 0.04 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.86 3mkq s ALA 408 Cb -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 3mkq s ALA 408 CO -0.09 0.51 0.04 -0.51 0.00 0.00 0.00 175.76 175.71 3mkq s LEU 409 N -1.07 2.43 -0.36 0.00 1.43 0.22 -2.21 118.68 119.12 3mkq s LEU 409 Ca 0.11 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 3mkq s LEU 409 Cb -0.10 -0.57 0.11 0.00 0.03 0.00 0.00 46.19 45.66 3mkq s LEU 409 CO 0.01 -0.58 0.13 -0.63 0.23 0.00 0.00 176.35 175.52 3mkq s ILE 410 N -3.07 1.32 0.00 -0.59 1.01 -1.01 -0.87 121.20 117.99 3mkq s ILE 410 Ca 0.34 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 59.03 3mkq s ILE 410 Cb 0.09 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3mkq s ILE 410 CO 0.16 -0.73 0.00 -0.90 0.00 0.00 0.00 174.94 173.47 3mkq n ASP 411 N 4.31 -0.78 -0.06 3.58 5.68 -0.64 0.12 116.55 128.76 3mkq n ASP 411 Ca 0.02 -0.27 -0.15 0.00 -0.50 0.00 0.00 54.79 53.90 3mkq n ASP 411 Cb 0.39 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 3mkq n ASP 411 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3mkq h GLU 412 N 0.00 0.83 0.00 0.11 3.07 -1.90 -2.11 114.58 114.58 3mkq h GLU 412 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 3mkq h GLU 412 Cb 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3mkq h GLU 412 CO 0.00 1.18 0.00 0.25 -1.40 0.00 0.00 179.01 179.04 3mkq n THR 413 N -3.99 0.00 -1.24 1.13 -2.24 -1.26 -4.83 114.28 101.86 3mkq n THR 413 Ca -0.05 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 3mkq n THR 413 Cb 0.65 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.02 1.01 3.91 3.38 0.00 -0.79 -5.03 105.19 107.69 3mkq n GLY 414 Ca 0.10 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.61 3.45 -0.17 1.61 -0.21 -1.26 -4.70 119.66 115.78 3mkq s GLN 415 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.36 54.69 3mkq s GLN 415 Cb 0.00 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 3mkq s GLN 415 CO 0.00 0.62 1.12 0.42 -2.12 0.00 0.00 175.29 175.33 3mkq s ILE 416 N -1.47 4.52 -0.01 1.08 1.01 -1.25 -1.62 121.20 123.46 3mkq s ILE 416 Ca 0.33 1.83 0.06 0.00 0.00 0.00 0.00 60.65 62.87 3mkq s ILE 416 Cb -0.13 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3mkq s ILE 416 CO 0.26 -0.11 -0.19 -0.54 0.00 0.00 0.00 174.94 174.36 3mkq s LYS 417 N 2.95 2.24 -0.06 2.79 1.02 -0.05 -4.59 119.74 124.04 3mkq s LYS 417 Ca 0.50 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.64 3mkq s LYS 417 Cb -0.19 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3mkq s LYS 417 CO 0.13 0.58 -0.09 -0.47 -0.92 0.00 0.00 175.35 174.57 3mkq s TYR 418 N -0.77 2.86 0.00 3.18 6.04 -1.26 0.72 117.35 128.12 3mkq s TYR 418 Ca 0.12 -0.05 0.06 0.00 0.04 0.00 0.00 57.07 57.24 3mkq s TYR 418 Cb -0.10 -1.69 -0.02 0.00 -1.04 0.00 0.00 41.96 39.11 3mkq s TYR 418 CO 0.02 0.27 -0.18 0.71 -1.54 0.00 0.00 175.55 174.83 3mkq s TYR 419 N -0.74 1.61 -0.11 4.97 2.02 0.48 -2.02 117.35 123.55 3mkq s TYR 419 Ca 0.11 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3mkq s TYR 419 Cb -0.11 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.47 3mkq s TYR 419 CO 0.01 0.00 -0.01 0.21 -1.57 0.00 0.00 175.55 174.20 3mkq s LYS 420 N -0.65 0.80 -1.12 -0.62 2.20 -0.25 -1.91 119.74 118.18 3mkq s LYS 420 Ca 0.06 -0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 3mkq s LYS 420 Cb -0.07 -1.33 0.01 0.00 -1.51 0.00 0.00 37.83 34.92 3mkq s LYS 420 CO 0.00 -0.37 0.73 0.09 -0.36 0.00 0.00 175.35 175.45 3mkq n ASN 421 N 5.08 -5.29 -0.36 1.43 3.02 -1.26 -2.53 115.26 115.35 3mkq n ASN 421 Ca -0.08 -0.34 -0.05 0.00 -0.03 0.00 0.00 54.58 54.08 3mkq n ASN 421 Cb 0.49 -3.99 -0.02 0.00 -0.61 0.00 0.00 39.78 35.65 3mkq n ASN 421 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3mkq n PHE 422 N -4.36 0.00 -5.21 3.10 3.01 -1.26 -4.98 117.46 107.75 3mkq n PHE 422 Ca -0.03 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.11 3mkq n PHE 422 Cb 0.57 -1.79 -0.16 0.00 -0.01 0.00 0.00 39.48 38.08 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 -1.99 2.77 0.12 -1.08 2.20 -1.05 -5.09 119.74 115.63 3mkq s LYS 423 Ca 0.00 -0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 3mkq s LYS 423 Cb 0.00 -2.25 -0.07 0.00 -1.51 0.00 0.00 37.83 34.00 3mkq s LYS 423 CO 0.00 0.31 1.29 -2.00 -0.36 0.00 0.00 175.35 174.59 3mkq s GLU 424 N 0.03 4.39 -0.48 4.03 2.12 -1.26 -1.09 118.70 126.42 3mkq s GLU 424 Ca -0.09 1.95 -0.17 0.00 0.36 0.00 0.00 54.97 57.02 3mkq s GLU 424 Cb -0.15 -3.27 0.06 0.00 0.26 0.00 0.00 34.13 31.03 3mkq s GLU 424 CO 0.06 -0.31 0.51 0.54 -0.54 0.00 0.00 175.26 175.52 3mkq s VAL 425 N 0.77 5.04 0.43 3.70 0.11 -0.86 -4.93 120.40 124.66 3mkq s VAL 425 Ca 0.60 -0.69 0.12 0.00 -2.93 0.00 0.00 61.98 59.08 3mkq s VAL 425 Cb -0.34 -4.20 0.20 0.00 -1.53 0.00 0.00 36.38 30.50 3mkq s VAL 425 CO 0.32 -0.67 1.99 0.71 -3.33 0.00 0.00 175.10 174.12 3mkq h THR 426 N 5.80 1.12 0.00 5.04 1.35 -1.94 -2.61 112.91 121.69 3mkq h THR 426 Ca -0.28 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 3mkq h THR 426 Cb 1.10 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3mkq h THR 426 CO 0.91 0.17 -0.10 0.77 -0.25 0.00 0.00 175.52 177.02 3mkq h SER 427 N 0.14 0.00 -3.56 5.36 4.64 -1.99 -3.43 113.55 114.72 3mkq h SER 427 Ca 0.03 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.84 3mkq h SER 427 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3mkq h SER 427 CO 0.01 0.10 0.48 0.86 -0.87 0.00 0.00 176.83 177.42 3mkq s TRP 428 N -3.92 3.58 0.09 4.77 -0.00 -0.98 -5.04 118.94 117.44 3mkq s TRP 428 Ca -0.01 1.59 -0.16 0.00 -0.00 0.00 0.00 56.10 57.52 3mkq s TRP 428 Cb 0.11 -3.28 0.03 0.00 -0.00 0.00 0.00 33.47 30.33 3mkq s TRP 428 CO 0.57 -0.63 0.39 -1.54 -0.00 0.00 0.00 176.95 175.73 3mkq s SER 429 N -0.09 -0.22 -0.45 5.86 1.04 -1.26 -4.84 113.70 113.73 3mkq s SER 429 Ca 0.50 -0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.78 3mkq s SER 429 Cb -0.29 0.44 0.21 0.00 0.10 0.00 0.00 66.02 66.47 3mkq s SER 429 CO 0.35 -0.75 0.60 0.52 0.98 0.00 0.00 173.24 174.93 3mkq n VAL 430 N 0.13 -0.52 -1.70 5.02 0.31 -1.26 -4.62 118.33 115.68 3mkq n VAL 430 Ca -0.17 -2.45 -0.42 0.00 -0.01 0.00 0.00 64.34 61.29 3mkq n VAL 430 Cb 0.62 -0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 3mkq n VAL 430 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3mkq s PRO 431 N 0.18 4.14 -0.16 5.55 0.02 -1.26 -4.73 135.00 138.73 3mkq s PRO 431 Ca 0.32 2.60 0.01 0.00 0.02 0.00 0.00 61.00 63.95 3mkq s PRO 431 Cb 0.09 -3.81 0.02 0.00 0.02 0.00 0.00 34.50 30.82 3mkq s PRO 431 CO -0.15 -0.88 -0.18 1.41 -0.33 0.00 0.00 177.00 176.86 3mkq s MET 432 N 3.39 2.78 0.00 5.54 1.75 -1.26 -5.06 119.30 126.44 3mkq s MET 432 Ca 0.84 -0.75 0.00 0.00 -1.25 0.00 0.00 55.69 54.53 3mkq s MET 432 Cb -0.45 -2.41 0.00 0.00 2.84 0.00 0.00 34.83 34.82 3mkq s MET 432 CO 0.38 -0.19 0.56 0.72 -0.65 0.00 0.00 175.02 175.84 3mkq n HIS 433 N 4.59 0.00 -0.39 4.11 8.25 -1.26 -4.77 115.22 125.75 3mkq n HIS 433 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3mkq n HIS 433 Cb 0.50 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3mkq n HIS 433 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3mkq n SER 434 N -0.99 -0.38 -4.81 0.41 3.41 -1.26 -5.03 113.62 104.98 3mkq n SER 434 Ca 0.00 -0.39 -0.38 0.00 -0.26 0.00 0.00 58.87 57.84 3mkq n SER 434 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3mkq n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mkq s ALA 435 N -3.35 3.51 -0.11 7.33 0.00 -1.26 -5.05 121.76 122.84 3mkq s ALA 435 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3mkq s ALA 435 Cb 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 3mkq s ALA 435 CO 0.00 0.36 0.96 0.42 0.00 0.00 0.00 175.76 177.51 3mkq s ILE 436 N -1.26 4.82 -0.04 0.00 -1.09 -1.26 -4.38 121.20 117.98 3mkq s ILE 436 Ca 0.35 1.95 -0.15 0.00 -2.23 0.00 0.00 60.65 60.57 3mkq s ILE 436 Cb -0.19 -4.27 -0.31 0.00 -1.58 0.00 0.00 42.46 36.10 3mkq s ILE 436 CO 0.21 0.03 0.75 0.44 -1.23 0.00 0.00 174.94 175.14 3mkq h ASP 437 N 7.10 0.59 -5.32 3.58 3.45 -0.35 -3.49 116.42 121.98 3mkq h ASP 437 Ca -0.32 -0.92 0.33 0.00 0.43 0.00 0.00 57.03 56.56 3mkq h ASP 437 Cb 1.15 -0.19 -0.15 0.00 -0.56 0.00 0.00 39.33 39.58 3mkq h ASP 437 CO 0.84 1.66 0.88 0.00 -1.57 0.00 0.00 179.24 181.05 3mkq s ARG 438 N -2.53 0.25 0.28 3.56 1.70 -1.22 -5.01 118.95 115.99 3mkq s ARG 438 Ca -0.15 -0.13 0.08 0.00 -0.47 0.00 0.00 55.73 55.06 3mkq s ARG 438 Cb 0.04 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 3mkq s ARG 438 CO 0.85 -0.12 0.15 -0.51 -1.08 0.00 0.00 175.30 174.60 3mkq s LEU 439 N -2.72 3.53 -0.01 -1.89 1.43 -1.26 -1.40 118.68 116.36 3mkq s LEU 439 Ca 0.13 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3mkq s LEU 439 Cb 0.04 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3mkq s LEU 439 CO -0.04 -0.12 -0.05 -0.36 0.23 0.00 0.00 176.35 176.00 3mkq s PHE 440 N -2.26 0.56 0.67 0.29 0.40 0.21 -4.94 117.98 112.91 3mkq s PHE 440 Ca 0.35 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.60 3mkq s PHE 440 Cb -0.06 -0.41 0.13 0.00 0.51 0.00 0.00 43.02 43.18 3mkq s PHE 440 CO 0.24 -0.05 0.92 -1.13 0.70 0.00 0.00 175.22 175.89 3mkq n SER 441 N 3.23 1.63 0.00 1.36 3.41 -1.26 -0.70 113.62 121.29 3mkq n SER 441 Ca -0.16 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 3mkq n SER 441 Cb 0.56 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.38 0.68 0.36 5.00 0.00 -1.26 -4.76 105.19 102.83 3mkq n GLY 442 Ca 0.16 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 1.44 -2.14 4.61 0.00 -1.91 -3.40 119.26 117.85 3mkq h ALA 443 Ca 0.00 0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.40 3mkq h ALA 443 Cb 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 17.42 3mkq h ALA 443 CO 0.00 0.29 -0.72 -0.51 0.00 0.00 0.00 179.25 178.31 3mkq s LEU 444 N -10.22 2.56 -0.24 0.00 1.02 -1.26 -4.79 118.68 105.75 3mkq s LEU 444 Ca -0.12 -1.09 -0.29 0.00 0.02 0.00 0.00 54.13 52.65 3mkq s LEU 444 Cb 0.21 -0.79 0.01 0.00 0.02 0.00 0.00 46.19 45.64 3mkq s LEU 444 CO 0.81 -0.18 1.04 -0.22 0.02 0.00 0.00 176.35 177.82 3mkq s LEU 445 N -3.43 4.08 -0.11 1.79 2.96 -0.22 -4.67 118.68 119.07 3mkq s LEU 445 Ca 0.27 1.33 -0.08 0.00 -0.22 0.00 0.00 54.13 55.43 3mkq s LEU 445 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3mkq s LEU 445 CO 0.11 -0.70 0.18 -0.83 -1.32 0.00 0.00 176.35 173.79 3mkq s GLY 446 N 1.26 2.19 -0.06 7.98 0.00 0.12 -0.09 107.32 118.73 3mkq s GLY 446 Ca 0.44 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 3mkq s GLY 446 CO 0.07 -0.25 0.11 0.54 0.00 0.00 0.00 173.10 173.57 3mkq s VAL 447 N -0.88 -0.14 -0.16 1.40 0.11 -0.48 0.66 120.40 120.92 3mkq s VAL 447 Ca 0.16 0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 59.33 3mkq s VAL 447 Cb -0.13 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3mkq s VAL 447 CO 0.05 0.13 0.50 -0.75 -3.33 0.00 0.00 175.10 171.69 3mkq s LYS 448 N 1.79 4.26 -0.28 1.54 2.20 -0.49 -0.63 119.74 128.13 3mkq s LYS 448 Ca -0.01 0.43 -0.19 0.00 -0.36 0.00 0.00 55.97 55.83 3mkq s LYS 448 Cb -0.12 -3.50 0.08 0.00 -1.51 0.00 0.00 37.83 32.78 3mkq s LYS 448 CO -0.05 0.00 0.74 0.45 -0.36 0.00 0.00 175.35 176.13 3mkq s SER 449 N 0.90 -0.83 -1.34 1.43 0.15 -0.68 0.50 113.70 113.82 3mkq s SER 449 Ca 0.25 1.42 -0.06 0.00 0.70 0.00 0.00 55.95 58.25 3mkq s SER 449 Cb -0.15 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.55 3mkq s SER 449 CO 0.10 -0.23 1.05 0.47 1.20 0.00 0.00 173.24 175.83 3mkq n ASP 450 N 3.67 -4.38 -2.24 5.45 9.92 -1.26 -1.74 116.55 125.97 3mkq n ASP 450 Ca -0.18 -0.63 -0.18 0.00 -0.53 0.00 0.00 54.79 53.27 3mkq n ASP 450 Cb 0.58 -4.76 -0.02 0.00 -0.64 0.00 0.00 41.12 36.27 3mkq n ASP 450 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mkq n GLY 451 N -1.68 -0.08 3.28 0.44 0.00 -1.26 -4.95 105.19 100.94 3mkq n GLY 451 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.83 1.36 -0.13 1.61 2.99 -0.71 -2.56 117.98 117.70 3mkq s PHE 452 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 56.93 56.10 3mkq s PHE 452 Cb 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 43.02 42.31 3mkq s PHE 452 CO 0.00 0.02 -0.13 0.08 -0.00 0.00 0.00 175.22 175.19 3mkq s VAL 453 N -3.38 1.44 -0.19 -0.44 1.01 -0.69 -1.69 120.40 116.45 3mkq s VAL 453 Ca 0.21 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3mkq s VAL 453 Cb 0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3mkq s VAL 453 CO 0.03 0.44 -0.01 -0.31 0.00 0.00 0.00 175.10 175.25 3mkq s TYR 454 N 1.47 3.03 -0.19 5.22 1.51 0.20 0.14 117.35 128.74 3mkq s TYR 454 Ca 0.03 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.55 3mkq s TYR 454 Cb -0.13 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 3mkq s TYR 454 CO -0.09 -0.22 0.12 -0.06 -1.11 0.00 0.00 175.55 174.19 3mkq s PHE 455 N 0.92 3.40 0.31 2.71 0.08 -0.46 -1.38 117.98 123.56 3mkq s PHE 455 Ca 0.01 0.30 0.11 0.00 0.12 0.00 0.00 56.93 57.46 3mkq s PHE 455 Cb -0.14 -2.12 -0.06 0.00 -0.57 0.00 0.00 43.02 40.13 3mkq s PHE 455 CO 0.02 0.31 -0.13 -0.06 -0.10 0.00 0.00 175.22 175.26 3mkq s PHE 456 N 0.22 2.39 -0.23 0.36 0.40 0.87 -0.78 117.98 121.21 3mkq s PHE 456 Ca 0.08 -0.40 -0.28 0.00 -0.60 0.00 0.00 56.93 55.73 3mkq s PHE 456 Cb -0.11 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.22 3mkq s PHE 456 CO -0.01 0.64 1.01 0.34 0.70 0.00 0.00 175.22 177.90 3mkq s ASP 457 N -3.58 7.07 0.20 1.36 -1.08 -0.17 -1.06 116.67 119.41 3mkq s ASP 457 Ca 0.32 1.34 -0.10 0.00 -0.52 0.00 0.00 52.55 53.58 3mkq s ASP 457 Cb -0.02 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.17 3mkq s ASP 457 CO 0.16 -0.64 1.76 -0.50 0.52 0.00 0.00 175.17 176.47 3mkq h TRP 458 N 7.47 0.45 0.30 -5.34 4.06 -1.91 0.25 115.95 121.24 3mkq h TRP 458 Ca -0.20 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.78 3mkq h TRP 458 Cb 1.07 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 3mkq h TRP 458 CO 0.75 0.15 -0.25 -0.44 -3.56 0.00 0.00 178.44 175.09 3mkq h ASP 459 N 0.46 -0.65 0.00 -3.49 5.19 -1.98 -3.37 116.42 112.58 3mkq h ASP 459 Ca 0.29 0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.61 3mkq h ASP 459 Cb 0.32 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3mkq h ASP 459 CO -0.26 -0.37 -1.75 -0.46 -3.12 0.00 0.00 179.24 173.27 3mkq n ASN 460 N -5.37 2.01 0.00 6.45 6.94 -1.21 -5.02 115.26 119.06 3mkq n ASN 460 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 3mkq n ASN 460 Cb 0.28 1.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.77 3mkq n ASN 460 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mkq n GLY 461 N 2.08 1.04 3.74 4.83 0.00 0.86 -4.43 105.19 113.32 3mkq n GLY 461 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3mkq n GLY 461 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mkq s THR 462 N -2.00 3.78 0.16 2.61 2.01 -1.25 -4.61 115.64 116.33 3mkq s THR 462 Ca 0.00 1.57 -0.31 0.00 0.31 0.00 0.00 61.69 63.25 3mkq s THR 462 Cb 0.00 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 3mkq s THR 462 CO 0.00 0.28 1.50 -0.22 -0.69 0.00 0.00 174.62 175.49 3mkq s LEU 463 N -0.51 4.37 -0.20 4.42 2.96 -1.26 -1.00 118.68 127.46 3mkq s LEU 463 Ca 0.49 2.53 0.16 0.00 -0.22 0.00 0.00 54.13 57.09 3mkq s LEU 463 Cb -0.30 -3.59 -0.24 0.00 0.50 0.00 0.00 46.19 42.56 3mkq s LEU 463 CO 0.36 -0.76 0.04 0.52 -1.32 0.00 0.00 176.35 175.20 3mkq n VAL 464 N 3.78 1.37 0.00 1.68 0.31 0.04 -4.72 118.33 120.79 3mkq n VAL 464 Ca 0.12 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 3mkq n VAL 464 Cb 0.40 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 3mkq n VAL 464 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3mkq n ARG 465 N -2.77 0.00 -5.05 5.55 3.00 -1.20 -0.53 116.66 115.66 3mkq n ARG 465 Ca -0.33 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.19 3mkq n ARG 465 Cb 1.13 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 33.44 3mkq n ARG 465 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3mkq s ARG 466 N -2.00 2.98 -0.12 -0.14 3.52 -0.41 -1.35 118.95 121.42 3mkq s ARG 466 Ca 0.00 -0.80 -0.03 0.00 -0.13 0.00 0.00 55.73 54.76 3mkq s ARG 466 Cb 0.00 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 3mkq s ARG 466 CO 0.00 0.29 0.01 0.42 -0.81 0.00 0.00 175.30 175.21 3mkq s ILE 467 N 0.10 4.34 -1.24 4.11 -1.09 0.12 -4.97 121.20 122.56 3mkq s ILE 467 Ca -0.09 -0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 58.00 3mkq s ILE 467 Cb -0.15 -2.87 0.18 0.00 -1.58 0.00 0.00 42.46 38.03 3mkq s ILE 467 CO 0.06 0.55 1.68 0.47 -1.23 0.00 0.00 174.94 176.47 3mkq n ASP 468 N 2.72 5.21 -3.34 3.58 9.92 -1.26 -1.71 116.55 131.67 3mkq n ASP 468 Ca -0.18 -3.08 0.02 0.00 -0.53 0.00 0.00 54.79 51.03 3mkq n ASP 468 Cb 0.53 -1.50 -0.03 0.00 -0.64 0.00 0.00 41.12 39.48 3mkq n ASP 468 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3mkq s VAL 469 N 0.62 -0.64 -0.76 2.53 0.11 -1.24 -5.04 120.40 115.99 3mkq s VAL 469 Ca 0.40 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 3mkq s VAL 469 Cb 0.05 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 3mkq s VAL 469 CO 0.01 0.00 1.50 0.54 -3.33 0.00 0.00 175.10 173.82 3mkq s ASN 470 N 2.71 5.91 0.69 3.54 6.03 -1.06 -4.14 114.94 128.63 3mkq s ASN 470 Ca 0.02 -0.40 -0.11 0.00 -1.03 0.00 0.00 52.86 51.34 3mkq s ASN 470 Cb -0.10 -2.55 0.02 0.00 -3.03 0.00 0.00 41.25 35.59 3mkq s ASN 470 CO -0.17 -2.00 1.07 0.00 -2.03 0.00 0.00 177.10 173.98 3mkq s ALA 471 N 6.80 2.94 -0.69 3.54 0.00 -1.26 -2.89 121.76 130.20 3mkq s ALA 471 Ca 0.47 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.14 3mkq s ALA 471 Cb -0.08 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 3mkq s ALA 471 CO 0.12 -1.12 0.54 0.36 0.00 0.00 0.00 175.76 175.66 3mkq n LYS 472 N -2.96 2.91 -3.54 0.00 2.85 -0.26 -4.72 118.16 112.44 3mkq n LYS 472 Ca 0.07 -0.18 -0.11 0.00 -1.05 0.00 0.00 58.31 57.03 3mkq n LYS 472 Cb 0.57 -1.06 -0.04 0.00 -0.65 0.00 0.00 35.03 33.85 3mkq n LYS 472 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3mkq s ASP 473 N -1.92 -0.42 -0.09 -5.58 2.15 -1.22 -5.03 116.67 104.57 3mkq s ASP 473 Ca 0.06 0.30 -0.01 0.00 0.43 0.00 0.00 52.55 53.33 3mkq s ASP 473 Cb 0.09 0.37 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 3mkq s ASP 473 CO 0.42 -0.49 0.00 -0.69 -0.17 0.00 0.00 175.17 174.24 3mkq s VAL 474 N -1.87 0.43 -0.16 1.11 1.01 -1.26 -1.79 120.40 117.88 3mkq s VAL 474 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3mkq s VAL 474 Cb -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3mkq s VAL 474 CO -0.01 0.22 -0.20 -0.63 0.00 0.00 0.00 175.10 174.48 3mkq s ILE 475 N 1.95 1.96 0.09 2.22 1.01 -0.38 -4.81 121.20 123.25 3mkq s ILE 475 Ca 0.04 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3mkq s ILE 475 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3mkq s ILE 475 CO -0.06 0.53 0.20 0.26 0.00 0.00 0.00 174.94 175.87 3mkq s TRP 476 N 1.11 3.42 0.56 3.97 0.52 -1.26 -0.06 118.94 127.20 3mkq s TRP 476 Ca -0.01 0.16 -0.08 0.00 0.02 0.00 0.00 56.10 56.20 3mkq s TRP 476 Cb -0.14 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3mkq s TRP 476 CO -0.08 0.55 0.92 -1.54 0.02 0.00 0.00 176.95 176.82 3mkq s SER 477 N -2.70 6.11 0.13 2.95 1.04 -0.24 -4.63 113.70 116.36 3mkq s SER 477 Ca 0.33 1.11 -0.19 0.00 0.48 0.00 0.00 55.95 57.68 3mkq s SER 477 Cb -0.12 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 3mkq s SER 477 CO 0.27 -0.80 1.73 0.44 0.98 0.00 0.00 173.24 175.86 3mkq h ASP 478 N -0.09 -0.01 0.00 7.02 5.19 -1.85 -1.13 116.42 125.54 3mkq h ASP 478 Ca -0.45 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3mkq h ASP 478 Cb 1.21 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.77 3mkq h ASP 478 CO 0.62 0.02 0.00 -0.46 -3.12 0.00 0.00 179.24 176.30 3mkq n ASN 479 N -5.10 0.00 -2.01 6.45 0.23 -1.26 -4.81 115.26 108.77 3mkq n ASN 479 Ca -0.02 -0.66 -0.21 0.00 -0.53 0.00 0.00 54.58 53.16 3mkq n ASN 479 Cb 0.10 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.75 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 -0.03 0.66 0.07 4.83 0.00 -0.43 -4.86 105.19 105.44 3mkq n GLY 480 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.72 0.95 -4.52 1.61 1.02 -1.26 -4.79 120.64 110.93 3mkq n GLU 481 Ca -0.23 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.55 3mkq n GLU 481 Cb 0.68 -1.46 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 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 -5.07 2.77 -0.07 -4.62 1.43 -1.26 0.07 118.68 111.93 3mkq s LEU 482 Ca -0.08 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3mkq s LEU 482 Cb 0.07 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.69 3mkq s LEU 482 CO 0.75 0.24 0.18 0.54 0.23 0.00 0.00 176.35 178.29 3mkq s VAL 483 N -1.00 -0.00 -0.15 -1.59 0.11 -0.74 -1.08 120.40 115.95 3mkq s VAL 483 Ca 0.16 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 3mkq s VAL 483 Cb -0.11 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3mkq s VAL 483 CO 0.07 0.00 -0.03 -0.32 -3.33 0.00 0.00 175.10 171.50 3mkq s MET 484 N 0.12 3.61 -0.35 1.54 1.75 0.91 -0.81 119.30 126.07 3mkq s MET 484 Ca -0.00 -0.50 -0.03 0.00 -1.25 0.00 0.00 55.69 53.91 3mkq s MET 484 Cb -0.01 -2.91 0.07 0.00 2.84 0.00 0.00 34.83 34.81 3mkq s MET 484 CO 0.00 0.30 0.09 0.42 -0.65 0.00 0.00 175.02 175.18 3mkq s ILE 485 N 0.22 3.27 -0.23 10.11 1.01 0.24 -1.24 121.20 134.56 3mkq s ILE 485 Ca -0.02 -1.55 -0.29 0.00 0.00 0.00 0.00 60.65 58.79 3mkq s ILE 485 Cb -0.14 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.34 3mkq s ILE 485 CO 0.03 -0.32 1.16 -0.69 0.00 0.00 0.00 174.94 175.12 3mkq s VAL 486 N 1.25 4.44 0.35 2.92 1.01 -0.74 -0.45 120.40 129.18 3mkq s VAL 486 Ca 0.00 1.71 -0.25 0.00 0.00 0.00 0.00 61.98 63.44 3mkq s VAL 486 Cb -0.21 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 3mkq s VAL 486 CO -0.01 -0.26 0.98 0.21 0.00 0.00 0.00 175.10 176.01 3mkq s ASN 487 N 1.77 7.15 0.17 3.32 3.04 0.34 -1.10 114.94 129.62 3mkq s ASN 487 Ca 0.50 1.89 -0.12 0.00 0.04 0.00 0.00 52.86 55.17 3mkq s ASN 487 Cb -0.17 -2.58 0.07 0.00 -1.54 0.00 0.00 41.25 37.03 3mkq s ASN 487 CO 0.13 -0.21 1.70 0.74 -3.04 0.00 0.00 177.10 176.42 3mkq h THR 488 N 2.46 1.24 -6.60 -5.21 2.02 -1.81 -3.43 112.91 101.58 3mkq h THR 488 Ca -0.47 -0.81 -0.41 0.00 0.77 0.00 0.00 66.41 65.49 3mkq h THR 488 Cb 1.20 0.66 -0.11 0.00 -1.74 0.00 0.00 68.15 68.16 3mkq h THR 488 CO 0.64 0.30 -0.66 -3.20 0.37 0.00 0.00 175.52 172.97 3mkq n ASN 489 N -4.42 -0.25 -4.74 4.18 5.15 -1.26 -4.92 115.26 109.00 3mkq n ASN 489 Ca 0.03 -0.87 -0.29 0.00 -0.60 0.00 0.00 54.58 52.85 3mkq n ASN 489 Cb 0.20 -1.07 0.12 0.00 -0.53 0.00 0.00 39.78 38.51 3mkq n ASN 489 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3mkq s SER 490 N -3.95 3.82 0.00 1.20 0.15 -1.26 -3.95 113.70 109.70 3mkq s SER 490 Ca 0.09 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.54 3mkq s SER 490 Cb -0.05 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 3mkq s SER 490 CO 0.67 -2.34 0.00 -0.46 1.20 0.00 0.00 173.24 172.31 3mkq n ASN 491 N -3.60 0.00 0.00 5.45 6.94 -1.26 -4.61 115.26 118.18 3mkq n ASN 491 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 3mkq n ASN 491 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 3mkq n ASN 491 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mkq n GLY 492 N 0.00 2.32 0.00 4.83 0.00 -1.25 -5.13 105.19 105.96 3mkq n GLY 492 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3mkq n GLY 492 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mkq n ASP 493 N 0.00 0.00 -0.50 1.61 4.64 -1.26 -4.97 116.55 116.07 3mkq n ASP 493 Ca 0.00 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 53.43 3mkq n ASP 493 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 3mkq n ASP 493 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3mkq n GLU 494 N 0.00 -0.33 -2.90 -0.67 1.02 -1.26 -4.87 120.64 111.63 3mkq n GLU 494 Ca 0.00 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.08 3mkq n GLU 494 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 3mkq n GLU 494 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mkq s ALA 495 N -2.59 3.38 0.22 0.62 0.00 -1.26 -4.99 121.76 117.14 3mkq s ALA 495 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 51.96 51.81 3mkq s ALA 495 Cb 0.00 -2.65 0.28 0.00 0.00 0.00 0.00 23.12 20.75 3mkq s ALA 495 CO 0.00 0.00 1.56 0.66 0.00 0.00 0.00 175.76 177.98 3mkq h SER 496 N 1.25 0.00 -4.43 0.00 4.64 -1.54 -3.42 113.55 110.06 3mkq h SER 496 Ca -0.47 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.06 3mkq h SER 496 Cb 1.19 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 3mkq h SER 496 CO 0.64 0.66 0.71 -0.83 -0.87 0.00 0.00 176.83 177.14 3mkq s GLY 497 N -4.50 -0.35 0.01 -0.77 0.00 -1.26 -0.50 107.32 99.95 3mkq s GLY 497 Ca -0.01 1.37 0.06 0.00 0.00 0.00 0.00 44.72 46.15 3mkq s GLY 497 CO 0.77 0.45 -0.19 -0.19 0.00 0.00 0.00 173.10 173.94 3mkq s TYR 498 N -2.64 1.66 -0.21 1.90 1.51 0.41 -0.79 117.35 119.19 3mkq s TYR 498 Ca 0.08 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3mkq s TYR 498 Cb -0.01 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 3mkq s TYR 498 CO -0.06 0.01 -0.01 0.95 -1.11 0.00 0.00 175.55 175.33 3mkq s THR 499 N -0.58 3.70 0.21 -0.71 -4.23 -0.71 0.80 115.64 114.12 3mkq s THR 499 Ca 0.07 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.28 3mkq s THR 499 Cb -0.08 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 3mkq s THR 499 CO 0.00 0.41 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.69 3mkq s LEU 500 N 1.29 3.10 -0.19 4.79 1.43 0.01 -0.78 118.68 128.33 3mkq s LEU 500 Ca 0.04 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3mkq s LEU 500 Cb -0.15 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3mkq s LEU 500 CO -0.00 0.07 -0.05 -0.22 0.23 0.00 0.00 176.35 176.38 3mkq s LEU 501 N -3.13 2.98 -0.32 1.79 2.96 0.42 -1.79 118.68 121.59 3mkq s LEU 501 Ca 0.28 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.71 3mkq s LEU 501 Cb -0.08 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3mkq s LEU 501 CO 0.17 0.05 0.46 0.12 -1.32 0.00 0.00 176.35 175.83 3mkq s PHE 502 N 1.06 3.21 -0.88 5.38 5.36 0.11 -1.94 117.98 130.28 3mkq s PHE 502 Ca 0.01 0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 56.09 3mkq s PHE 502 Cb -0.15 -2.77 0.18 0.00 -0.34 0.00 0.00 43.02 39.94 3mkq s PHE 502 CO 0.00 -0.41 0.93 1.21 -1.46 0.00 0.00 175.22 175.49 3mkq s ASN 503 N 1.70 6.72 0.24 6.13 3.84 0.10 -4.75 114.94 128.92 3mkq s ASN 503 Ca 0.17 -2.43 -0.06 0.00 0.21 0.00 0.00 52.86 50.75 3mkq s ASN 503 Cb -0.16 -2.29 0.30 0.00 -0.55 0.00 0.00 41.25 38.55 3mkq s ASN 503 CO 0.12 -0.78 1.87 0.50 -2.79 0.00 0.00 177.10 176.01 3mkq h LYS 504 N 8.21 1.00 -0.74 0.43 3.64 -1.94 -2.48 116.57 124.69 3mkq h LYS 504 Ca 0.13 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3mkq h LYS 504 Cb 1.03 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3mkq h LYS 504 CO 0.91 0.66 0.28 -0.44 -2.27 0.00 0.00 179.45 178.59 3mkq h ASP 505 N 1.03 1.02 -1.00 4.20 5.19 -1.97 -1.66 116.42 123.22 3mkq h ASP 505 Ca 0.36 -0.16 0.09 0.00 -0.62 0.00 0.00 57.03 56.70 3mkq h ASP 505 Cb 0.09 -0.27 -0.07 0.00 0.18 0.00 0.00 39.33 39.26 3mkq h ASP 505 CO -0.14 0.92 0.64 0.00 -3.12 0.00 0.00 179.24 177.53 3mkq h ALA 506 N 1.23 1.46 -0.08 3.45 0.00 -1.77 -1.93 119.26 121.61 3mkq h ALA 506 Ca 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3mkq h ALA 506 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mkq h ALA 506 CO -0.02 0.36 -0.15 -0.92 0.00 0.00 0.00 179.25 178.52 3mkq h TYR 507 N 1.10 0.30 -0.89 0.00 3.20 -1.28 -3.03 116.97 116.38 3mkq h TYR 507 Ca 0.46 -0.11 0.12 0.00 3.14 0.00 0.00 58.73 62.34 3mkq h TYR 507 Cb 0.29 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 3mkq h TYR 507 CO -0.00 0.75 0.57 -0.07 -1.64 0.00 0.00 178.16 177.77 3mkq h LEU 508 N -0.23 0.73 0.35 2.82 3.38 -0.89 0.02 115.31 121.49 3mkq h LEU 508 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3mkq h LEU 508 Cb 0.73 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3mkq h LEU 508 CO 0.03 0.41 -0.17 -0.33 0.09 0.00 0.00 178.44 178.47 3mkq h GLU 509 N 0.80 -0.45 -0.51 1.13 5.08 -1.39 0.90 114.58 120.14 3mkq h GLU 509 Ca 0.43 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.91 3mkq h GLU 509 Cb 0.54 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 3mkq h GLU 509 CO -0.19 -0.19 0.08 0.00 -1.00 0.00 0.00 179.01 177.71 3mkq h ALA 510 N -0.10 0.56 -0.52 3.43 0.00 -1.30 0.54 119.26 121.87 3mkq h ALA 510 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mkq h ALA 510 Cb 0.47 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3mkq h ALA 510 CO 0.08 -0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.33 3mkq h ALA 511 N 1.42 1.61 0.00 0.00 0.00 -0.90 -0.39 119.26 121.00 3mkq h ALA 511 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3mkq h ALA 511 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3mkq h ALA 511 CO -0.36 0.35 -0.46 -0.97 0.00 0.00 0.00 179.25 177.81 3mkq h ASN 512 N 0.70 0.00 1.27 0.00 -0.73 0.22 -2.55 115.58 114.49 3mkq h ASN 512 Ca 0.19 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.26 3mkq h ASN 512 Cb -0.07 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 3mkq h ASN 512 CO -0.04 0.46 -0.45 0.78 -0.37 0.00 0.00 177.43 177.81 3mkq h ASN 513 N 0.00 0.00 -0.14 1.15 2.35 0.12 -3.47 115.58 115.59 3mkq h ASN 513 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3mkq h ASN 513 Cb 1.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3mkq h ASN 513 CO 0.06 0.45 -0.04 0.61 -1.65 0.00 0.00 177.43 176.87 3mkq n GLY 514 N 0.88 0.44 1.28 2.83 0.00 -0.28 -4.98 105.19 105.36 3mkq n GLY 514 Ca 0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 3mkq n GLY 514 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mkq n ASN 515 N 1.71 2.54 -4.76 1.61 2.04 -1.20 -5.05 115.26 112.15 3mkq n ASN 515 Ca -0.02 -3.49 -0.40 0.00 -0.44 0.00 0.00 54.58 50.23 3mkq n ASN 515 Cb 0.22 -0.44 -0.04 0.00 -2.53 0.00 0.00 39.78 36.98 3mkq n ASN 515 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3mkq s ILE 516 N -3.27 3.52 -0.26 1.53 1.01 -1.26 -4.98 121.20 117.49 3mkq s ILE 516 Ca 0.40 1.48 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 3mkq s ILE 516 Cb 0.38 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 3mkq s ILE 516 CO -0.05 0.32 1.33 -0.62 0.00 0.00 0.00 174.94 175.92 3mkq s ASP 517 N -0.98 6.69 0.45 3.58 -1.08 -1.24 -4.92 116.67 119.17 3mkq s ASP 517 Ca 0.46 1.35 0.23 0.00 -0.52 0.00 0.00 52.55 54.07 3mkq s ASP 517 Cb -0.31 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 39.84 3mkq s ASP 517 CO 0.39 -1.04 1.81 0.44 0.52 0.00 0.00 175.17 177.29 3mkq h ASP 518 N 9.24 0.30 0.18 -0.34 5.19 -1.94 0.42 116.42 129.48 3mkq h ASP 518 Ca -0.27 0.05 -0.28 0.00 -0.62 0.00 0.00 57.03 55.91 3mkq h ASP 518 Cb 1.10 -0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.63 3mkq h ASP 518 CO 1.02 0.08 -1.28 0.28 -3.12 0.00 0.00 179.24 176.21 3mkq h SER 519 N 0.28 0.60 0.00 6.45 0.02 -2.00 -3.42 113.55 115.47 3mkq h SER 519 Ca 0.54 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3mkq h SER 519 Cb 1.60 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3mkq h SER 519 CO -0.18 1.60 -0.05 -0.62 -1.14 0.00 0.00 176.83 176.43 3mkq n GLU 520 N -3.88 6.32 0.00 3.45 1.02 -1.09 -4.77 120.64 121.68 3mkq n GLU 520 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3mkq n GLU 520 Cb 0.97 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 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 1.03 -0.31 3.33 0.62 0.00 0.15 -1.29 105.19 108.72 3mkq n GLY 521 Ca 0.00 -1.25 -0.46 0.00 0.00 0.00 0.00 46.02 44.31 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 5.14 0.31 1.61 1.01 0.32 -3.66 120.40 125.12 3mkq s VAL 522 Ca 0.00 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.69 3mkq s VAL 522 Cb 0.00 -4.34 0.35 0.00 0.00 0.00 0.00 36.38 32.39 3mkq s VAL 522 CO 0.00 -0.88 1.62 -0.78 0.00 0.00 0.00 175.10 175.06 3mkq h ASP 523 N 8.93 -0.08 0.41 3.32 1.82 -1.86 0.15 116.42 129.12 3mkq h ASP 523 Ca -0.30 0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 3mkq h ASP 523 Cb 1.10 0.33 0.00 0.00 0.68 0.00 0.00 39.33 41.43 3mkq h ASP 523 CO 1.03 -0.25 0.00 -0.62 -1.61 0.00 0.00 179.24 177.79 3mkq n GLU 524 N -5.30 0.24 -0.03 0.28 4.71 -1.26 -3.91 120.64 115.36 3mkq n GLU 524 Ca 0.24 0.11 -0.14 0.00 -0.01 0.00 0.00 57.16 57.37 3mkq n GLU 524 Cb 0.79 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.63 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 2.88 0.10 -3.60 0.62 0.00 -0.96 -3.43 119.26 114.87 3mkq h ALA 525 Ca 0.00 -0.36 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 3mkq h ALA 525 Cb 0.21 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.82 3mkq h ALA 525 CO 0.00 0.01 -0.74 -0.06 0.00 0.00 0.00 179.25 178.46 3mkq s PHE 526 N -3.85 2.75 -0.02 0.00 0.40 -1.25 0.02 117.98 116.01 3mkq s PHE 526 Ca -0.15 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3mkq s PHE 526 Cb 0.03 -1.46 0.03 0.00 0.51 0.00 0.00 43.02 42.12 3mkq s PHE 526 CO 0.73 0.40 0.01 -0.51 0.70 0.00 0.00 175.22 176.56 3mkq s ASP 527 N -2.01 0.22 0.07 1.36 1.01 -0.82 -4.93 116.67 111.57 3mkq s ASP 527 Ca 0.20 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.16 3mkq s ASP 527 Cb -0.11 -0.13 -0.05 0.00 1.01 0.00 0.00 42.92 43.63 3mkq s ASP 527 CO 0.12 -0.11 1.13 -0.69 0.21 0.00 0.00 175.17 175.83 3mkq s VAL 528 N 0.97 4.19 -0.17 -1.27 1.01 -1.26 -0.44 120.40 123.43 3mkq s VAL 528 Ca -0.09 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 3mkq s VAL 528 Cb -0.12 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 3mkq s VAL 528 CO -0.02 0.16 -0.17 0.18 0.00 0.00 0.00 175.10 175.25 3mkq n LEU 529 N 3.60 2.64 -3.85 3.92 4.32 0.03 -4.95 117.00 122.72 3mkq n LEU 529 Ca 0.07 -0.03 -0.09 0.00 -0.02 0.00 0.00 56.01 55.95 3mkq n LEU 529 Cb 0.47 -0.58 -0.04 0.00 -1.62 0.00 0.00 43.42 41.65 3mkq n LEU 529 CO 0.54 0.70 0.30 -0.31 -1.22 0.00 0.00 177.39 177.40 3mkq s TYR 530 N -2.34 0.01 -0.21 -1.77 1.51 -1.21 -4.99 117.35 108.36 3mkq s TYR 530 Ca -0.23 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 3mkq s TYR 530 Cb 0.07 0.42 0.09 0.00 -0.11 0.00 0.00 41.96 42.43 3mkq s TYR 530 CO 0.38 -1.03 0.22 -1.83 -1.11 0.00 0.00 175.55 172.18 3mkq s GLU 531 N -3.93 0.19 1.15 -0.62 -1.05 -1.26 -1.74 118.70 111.43 3mkq s GLU 531 Ca 0.14 0.14 -0.13 0.00 -0.15 0.00 0.00 54.97 54.97 3mkq s GLU 531 Cb -0.02 -1.21 0.27 0.00 -0.44 0.00 0.00 34.13 32.73 3mkq s GLU 531 CO 0.03 -0.70 1.04 -0.51 0.95 0.00 0.00 175.26 176.08 3mkq s LEU 532 N 2.31 0.94 0.00 1.83 2.01 0.03 -4.88 118.68 120.93 3mkq s LEU 532 Ca 0.07 1.50 0.00 0.00 0.01 0.00 0.00 54.13 55.71 3mkq s LEU 532 Cb -0.16 -3.45 0.00 0.00 0.01 0.00 0.00 46.19 42.60 3mkq s LEU 532 CO -0.14 -4.10 0.00 -1.54 1.01 0.00 0.00 176.35 171.58 3mkq n SER 533 N -4.85 4.06 -4.77 2.29 3.41 -1.26 -1.81 113.62 110.69 3mkq n SER 533 Ca 0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.26 3mkq n SER 533 Cb 0.54 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.79 3mkq n SER 533 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3mkq s GLU 534 N -1.85 4.20 0.36 4.33 2.02 -1.26 -4.26 118.70 122.23 3mkq s GLU 534 Ca 0.00 1.75 -0.28 0.00 0.02 0.00 0.00 54.97 56.45 3mkq s GLU 534 Cb 0.00 -2.74 -0.11 0.00 0.10 0.00 0.00 34.13 31.38 3mkq s GLU 534 CO 0.00 -0.17 1.41 -1.54 0.02 0.00 0.00 175.26 174.98 3mkq s SER 535 N -1.20 6.51 -0.27 -0.19 1.04 -1.26 -4.64 113.70 113.69 3mkq s SER 535 Ca 0.55 2.91 -0.01 0.00 0.48 0.00 0.00 55.95 59.87 3mkq s SER 535 Cb -0.29 -2.66 0.04 0.00 0.10 0.00 0.00 66.02 63.21 3mkq s SER 535 CO 0.36 -0.74 -0.04 -0.63 0.98 0.00 0.00 173.24 173.17 3mkq s ILE 536 N -1.13 2.83 -0.10 -1.02 1.01 -1.26 -4.06 121.20 117.48 3mkq s ILE 536 Ca 0.51 -1.28 0.16 0.00 0.00 0.00 0.00 60.65 60.04 3mkq s ILE 536 Cb -0.44 -2.56 -0.19 0.00 0.01 0.00 0.00 42.46 39.29 3mkq s ILE 536 CO 0.59 0.03 0.67 0.41 0.00 0.00 0.00 174.94 176.64 3mkq n THR 537 N 4.62 1.32 -3.59 2.92 -1.04 0.78 -4.96 114.28 114.33 3mkq n THR 537 Ca -0.15 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.05 61.04 3mkq n THR 537 Cb 0.45 -0.79 -0.05 0.00 -1.82 0.00 0.00 70.33 68.12 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 -5.81 -0.29 0.07 8.00 1.04 -1.24 -4.96 113.70 110.51 3mkq s SER 538 Ca -0.04 0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.42 3mkq s SER 538 Cb 0.08 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.51 3mkq s SER 538 CO 0.82 -0.29 0.60 -0.83 0.98 0.00 0.00 173.24 174.52 3mkq s GLY 539 N -1.24 -0.55 -0.08 7.32 0.00 -1.26 0.03 107.32 111.54 3mkq s GLY 539 Ca 0.01 0.74 -0.07 0.00 0.00 0.00 0.00 44.72 45.40 3mkq s GLY 539 CO -0.01 0.41 0.20 0.54 0.00 0.00 0.00 173.10 174.24 3mkq s LYS 540 N -2.71 0.23 -0.07 2.90 -0.14 -0.62 -5.00 119.74 114.33 3mkq s LYS 540 Ca -0.04 0.31 -0.18 0.00 -1.36 0.00 0.00 55.97 54.70 3mkq s LYS 540 Cb -0.01 0.08 -0.05 0.00 -1.68 0.00 0.00 37.83 36.18 3mkq s LYS 540 CO -0.04 -0.04 0.49 -1.58 -0.76 0.00 0.00 175.35 173.42 3mkq s TRP 541 N 0.24 3.59 -0.31 3.18 0.52 -1.26 -1.02 118.94 123.88 3mkq s TRP 541 Ca -0.01 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.12 3mkq s TRP 541 Cb -0.03 -2.51 0.09 0.00 -1.15 0.00 0.00 33.47 29.87 3mkq s TRP 541 CO -0.01 0.30 0.01 0.08 0.02 0.00 0.00 176.95 177.36 3mkq s VAL 542 N 0.11 2.14 0.00 4.03 1.01 0.15 -4.74 120.40 123.10 3mkq s VAL 542 Ca 0.27 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.16 3mkq s VAL 542 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3mkq s VAL 542 CO 0.12 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3mkq n GLY 543 N 4.34 2.17 1.72 4.51 0.00 -1.26 -1.66 105.19 115.02 3mkq n GLY 543 Ca -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 4.05 5.44 -4.58 1.61 10.43 -1.26 -4.74 116.55 127.50 3mkq n ASP 544 Ca 0.00 -2.95 -0.37 0.00 2.57 0.00 0.00 54.79 54.04 3mkq n ASP 544 Cb 0.00 -0.66 -0.11 0.00 1.84 0.00 0.00 41.12 42.19 3mkq n ASP 544 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3mkq s VAL 545 N -2.78 5.01 -0.49 2.53 1.01 -0.67 -4.75 120.40 120.26 3mkq s VAL 545 Ca 0.53 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 3mkq s VAL 545 Cb 0.41 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 33.51 3mkq s VAL 545 CO 0.15 0.33 0.50 0.12 0.00 0.00 0.00 175.10 176.20 3mkq s PHE 546 N 1.30 3.16 0.26 5.22 5.36 -0.98 -0.67 117.98 131.63 3mkq s PHE 546 Ca 0.06 -0.77 -0.19 0.00 -0.96 0.00 0.00 56.93 55.07 3mkq s PHE 546 Cb -0.14 -3.35 -0.09 0.00 -0.34 0.00 0.00 43.02 39.10 3mkq s PHE 546 CO 0.06 -0.91 0.76 0.42 -1.46 0.00 0.00 175.22 174.09 3mkq s ILE 547 N 2.08 4.55 0.09 3.12 -1.09 -0.19 -0.43 121.20 129.32 3mkq s ILE 547 Ca 0.09 1.28 -0.25 0.00 -2.23 0.00 0.00 60.65 59.54 3mkq s ILE 547 Cb -0.22 -3.81 0.07 0.00 -1.58 0.00 0.00 42.46 36.91 3mkq s ILE 547 CO 0.09 0.10 0.61 0.72 -1.23 0.00 0.00 174.94 175.23 3mkq s PHE 548 N -1.65 -0.55 0.03 3.97 -0.12 0.55 -1.59 117.98 118.62 3mkq s PHE 548 Ca 0.47 0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 57.85 3mkq s PHE 548 Cb -0.15 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 3mkq s PHE 548 CO 0.20 -0.76 0.26 0.99 -0.05 0.00 0.00 175.22 175.86 3mkq s THR 549 N -2.92 5.32 0.27 -4.49 2.01 0.10 -1.28 115.64 114.65 3mkq s THR 549 Ca -0.03 0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.11 3mkq s THR 549 Cb -0.01 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3mkq s THR 549 CO -0.06 0.29 -0.12 0.28 -0.69 0.00 0.00 174.62 174.32 3mkq s THR 550 N -1.38 2.90 -0.23 -0.82 -1.32 -0.60 -0.15 115.64 114.04 3mkq s THR 550 Ca 0.30 -2.19 0.28 0.00 -1.21 0.00 0.00 61.69 58.87 3mkq s THR 550 Cb -0.13 -2.53 0.31 0.00 -1.51 0.00 0.00 72.50 68.64 3mkq s THR 550 CO 0.19 -0.39 1.83 0.00 -2.21 0.00 0.00 174.62 174.05 3mkq h ALA 551 N 2.11 1.00 -0.57 11.08 0.00 -1.90 -1.20 119.26 129.79 3mkq h ALA 551 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.60 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.10 3mkq n THR 552 N -2.63 1.92 -2.81 0.00 -2.24 -1.26 -4.93 114.28 102.34 3mkq n THR 552 Ca 0.02 -1.12 -0.17 0.00 -2.27 0.00 0.00 64.05 60.50 3mkq n THR 552 Cb 0.27 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.87 -4.99 -4.77 3.42 3.02 -0.45 -4.79 115.26 107.56 3mkq n ASN 553 Ca 0.24 -0.21 -0.30 0.00 -0.03 0.00 0.00 54.58 54.29 3mkq n ASN 553 Cb 0.91 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 3mkq n ASN 553 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3mkq s ARG 554 N -5.38 2.86 -0.28 3.52 0.52 -1.26 -0.03 118.95 118.90 3mkq s ARG 554 Ca 0.22 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 3mkq s ARG 554 Cb -0.10 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.69 3mkq s ARG 554 CO 0.27 0.55 0.05 -1.17 0.02 0.00 0.00 175.30 175.02 3mkq s LEU 555 N -2.52 3.69 0.39 2.53 2.96 0.15 -1.55 118.68 124.32 3mkq s LEU 555 Ca 0.29 -0.69 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3mkq s LEU 555 Cb -0.12 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 3mkq s LEU 555 CO 0.22 -0.17 0.05 0.20 -1.32 0.00 0.00 176.35 175.33 3mkq s ASN 556 N 1.48 3.10 -0.01 3.68 0.02 -0.41 0.80 114.94 123.60 3mkq s ASN 556 Ca 0.03 -1.46 -0.01 0.00 -1.02 0.00 0.00 52.86 50.39 3mkq s ASN 556 Cb -0.17 0.01 0.00 0.00 0.02 0.00 0.00 41.25 41.11 3mkq s ASN 556 CO 0.01 -0.65 0.03 -0.72 0.02 0.00 0.00 177.10 175.79 3mkq s TYR 557 N -3.06 -0.02 -0.18 2.20 -0.85 -0.53 -0.33 117.35 114.58 3mkq s TYR 557 Ca 0.30 0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.89 3mkq s TYR 557 Cb 0.07 -0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.41 3mkq s TYR 557 CO 0.14 -0.03 -0.14 0.12 -1.52 0.00 0.00 175.55 174.12 3mkq s PHE 558 N -0.08 2.83 -0.09 -3.49 5.36 0.43 -1.28 117.98 121.66 3mkq s PHE 558 Ca -0.01 -1.21 0.01 0.00 -0.96 0.00 0.00 56.93 54.75 3mkq s PHE 558 Cb -0.01 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.74 3mkq s PHE 558 CO 0.00 -0.60 -0.08 0.14 -1.46 0.00 0.00 175.22 173.21 3mkq s VAL 559 N 1.14 0.96 -1.59 3.12 -7.23 -0.35 -2.31 120.40 114.14 3mkq s VAL 559 Ca 0.01 -0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 3mkq s VAL 559 Cb -0.14 -0.95 0.13 0.00 0.56 0.00 0.00 36.38 35.98 3mkq s VAL 559 CO -0.05 0.34 0.33 0.61 -0.31 0.00 0.00 175.10 176.02 3mkq n GLY 560 N 4.47 -0.26 0.00 2.32 0.00 -1.26 -0.73 105.19 109.73 3mkq n GLY 560 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.56 3.02 3.93 -0.02 0.00 -1.26 -5.03 105.19 104.27 3mkq n GLY 561 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.44 3.50 -0.05 1.61 -0.14 0.09 -5.08 119.74 119.23 3mkq s LYS 562 Ca 0.00 -0.41 0.04 0.00 -1.36 0.00 0.00 55.97 54.24 3mkq s LYS 562 Cb 0.00 -2.87 -0.00 0.00 -1.68 0.00 0.00 37.83 33.27 3mkq s LYS 562 CO 0.00 0.43 -0.17 0.99 -0.76 0.00 0.00 175.35 175.84 3mkq s THR 563 N -1.83 1.44 -0.05 2.17 2.01 -1.26 -1.21 115.64 116.90 3mkq s THR 563 Ca 0.37 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.69 3mkq s THR 563 Cb -0.11 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.16 3mkq s THR 563 CO 0.29 0.42 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.18 3mkq s TYR 564 N 0.10 1.54 0.50 4.92 1.51 -0.40 -4.99 117.35 120.52 3mkq s TYR 564 Ca -0.05 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.31 3mkq s TYR 564 Cb -0.12 -1.08 -0.08 0.00 -0.11 0.00 0.00 41.96 40.58 3mkq s TYR 564 CO 0.03 -0.21 1.06 1.21 -1.11 0.00 0.00 175.55 176.52 3mkq s ASN 565 N 0.31 6.19 0.00 2.29 3.84 -1.26 -1.46 114.94 124.85 3mkq s ASN 565 Ca -0.09 1.98 0.00 0.00 0.21 0.00 0.00 52.86 54.96 3mkq s ASN 565 Cb -0.13 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 3mkq s ASN 565 CO 0.03 -0.89 0.00 -0.11 -2.79 0.00 0.00 177.10 173.34 3mkq n LEU 566 N -1.08 2.44 -3.54 3.21 7.94 0.24 -4.89 117.00 121.31 3mkq n LEU 566 Ca 0.10 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.91 3mkq n LEU 566 Cb 0.52 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 3mkq n LEU 566 CO 0.40 0.40 0.75 0.00 -1.11 0.00 0.00 177.39 177.83 3mkq s ALA 567 N -1.98 -1.89 -0.13 1.96 0.00 -0.80 -4.97 121.76 113.96 3mkq s ALA 567 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 3mkq s ALA 567 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3mkq s ALA 567 CO 0.00 -0.52 -0.11 -1.01 0.00 0.00 0.00 175.76 174.12 3mkq s HIS 568 N -2.19 2.85 0.27 0.00 3.76 -1.26 0.29 115.29 119.02 3mkq s HIS 568 Ca 0.02 -0.55 0.09 0.00 -0.15 0.00 0.00 55.06 54.48 3mkq s HIS 568 Cb -0.01 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 3mkq s HIS 568 CO -0.04 -0.16 0.02 0.71 -0.85 0.00 0.00 174.74 174.43 3mkq s TYR 569 N 0.31 2.72 -0.10 1.40 1.51 0.96 -5.00 117.35 119.16 3mkq s TYR 569 Ca -0.09 -0.23 0.13 0.00 -1.01 0.00 0.00 57.07 55.87 3mkq s TYR 569 Cb -0.15 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3mkq s TYR 569 CO 0.05 0.59 1.42 1.15 -1.11 0.00 0.00 175.55 177.64 3mkq h THR 570 N 1.83 1.03 -2.46 -0.71 2.02 -1.96 -3.45 112.91 109.21 3mkq h THR 570 Ca -0.44 -2.44 -0.59 0.00 0.77 0.00 0.00 66.41 63.71 3mkq h THR 570 Cb 1.25 2.50 -0.13 0.00 -1.74 0.00 0.00 68.15 70.03 3mkq h THR 570 CO 0.61 0.58 -0.50 -1.59 0.37 0.00 0.00 175.52 175.00 3mkq s LYS 571 N -2.92 2.01 0.07 6.66 -2.85 -1.26 -5.09 119.74 116.35 3mkq s LYS 571 Ca 0.03 -2.24 -0.30 0.00 -1.00 0.00 0.00 55.97 52.46 3mkq s LYS 571 Cb 0.08 -0.63 -0.05 0.00 -2.06 0.00 0.00 37.83 35.17 3mkq s LYS 571 CO 0.76 -0.52 1.05 -1.21 0.10 0.00 0.00 175.35 175.52 3mkq s GLU 572 N -3.67 4.57 0.27 1.78 2.02 -1.26 -4.73 118.70 117.67 3mkq s GLU 572 Ca 0.21 1.56 0.09 0.00 0.02 0.00 0.00 54.97 56.85 3mkq s GLU 572 Cb 0.01 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3mkq s GLU 572 CO 0.14 -0.01 0.01 -1.64 0.02 0.00 0.00 175.26 173.78 3mkq s MET 573 N 0.54 2.34 -0.05 1.61 -1.94 -1.26 -4.07 119.30 116.46 3mkq s MET 573 Ca 0.52 -1.40 -0.00 0.00 -1.71 0.00 0.00 55.69 53.09 3mkq s MET 573 Cb -0.25 -2.18 0.03 0.00 2.01 0.00 0.00 34.83 34.43 3mkq s MET 573 CO 0.30 0.36 -0.00 0.71 -0.01 0.00 0.00 175.02 176.37 3mkq s TYR 574 N -2.32 0.47 0.21 -0.03 2.02 0.78 -4.84 117.35 113.64 3mkq s TYR 574 Ca 0.32 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 3mkq s TYR 574 Cb -0.06 -0.58 -0.09 0.00 -0.40 0.00 0.00 41.96 40.83 3mkq s TYR 574 CO 0.20 -0.20 1.42 -0.51 -1.57 0.00 0.00 175.55 174.89 3mkq s LEU 575 N 1.40 4.39 -0.27 -1.29 1.43 -1.26 0.00 118.68 123.07 3mkq s LEU 575 Ca -0.04 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 55.47 3mkq s LEU 575 Cb -0.13 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.36 3mkq s LEU 575 CO -0.03 -0.67 -0.35 0.18 0.23 0.00 0.00 176.35 175.71 3mkq n LEU 576 N 2.87 1.92 0.00 1.79 4.32 0.19 -4.91 117.00 123.19 3mkq n LEU 576 Ca 0.08 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 3mkq n LEU 576 Cb 0.41 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 3mkq n LEU 576 CO 0.60 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.95 3mkq n GLY 577 N 1.30 -0.55 3.19 -0.72 0.00 -1.18 -4.57 105.19 102.65 3mkq n GLY 577 Ca -0.54 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.00 2.81 -0.48 1.61 5.04 -1.26 -0.12 117.35 122.95 3mkq s TYR 578 Ca 0.00 -1.38 -0.14 0.00 -2.44 0.00 0.00 57.07 53.11 3mkq s TYR 578 Cb 0.00 -1.95 0.09 0.00 0.35 0.00 0.00 41.96 40.45 3mkq s TYR 578 CO 0.00 -0.69 0.39 -0.51 -1.34 0.00 0.00 175.55 173.40 3mkq s LEU 579 N 1.23 5.67 0.26 6.97 1.43 -0.14 -4.93 118.68 129.17 3mkq s LEU 579 Ca 0.03 -1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 51.62 3mkq s LEU 579 Cb -0.14 -2.15 0.54 0.00 0.03 0.00 0.00 46.19 44.47 3mkq s LEU 579 CO -0.08 -0.68 1.71 0.00 0.23 0.00 0.00 176.35 177.53 3mkq h ALA 580 N 8.71 1.14 -0.83 4.21 0.00 -1.95 0.00 119.26 130.54 3mkq h ALA 580 Ca -0.27 0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.99 3mkq h ALA 580 Cb 1.10 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 3mkq h ALA 580 CO 0.89 -0.28 0.16 -0.09 0.00 0.00 0.00 179.25 179.93 3mkq h ARG 581 N 0.38 0.19 -0.02 0.00 2.43 -1.95 0.12 114.38 115.54 3mkq h ARG 581 Ca 0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3mkq h ARG 581 Cb 0.77 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3mkq h ARG 581 CO -0.47 0.12 -0.29 -0.25 -1.51 0.00 0.00 179.97 177.57 3mkq n ASP 582 N -5.25 1.80 -2.52 -3.80 8.00 -0.20 -4.93 116.55 109.65 3mkq n ASP 582 Ca 0.18 -1.39 -0.19 0.00 0.71 0.00 0.00 54.79 54.10 3mkq n ASP 582 Cb 0.59 0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 0.01 -5.37 -4.17 -2.24 3.02 0.03 -4.91 115.26 101.63 3mkq n ASN 583 Ca 0.12 -0.01 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 3mkq n ASN 583 Cb 0.44 -4.47 -0.11 0.00 -0.61 0.00 0.00 39.78 35.03 3mkq n ASN 583 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mkq s LYS 584 N -5.16 0.83 -0.02 3.52 1.02 -1.15 -0.16 119.74 118.62 3mkq s LYS 584 Ca 0.05 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 54.97 3mkq s LYS 584 Cb -0.02 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 3mkq s LYS 584 CO 0.06 0.12 0.03 0.54 -0.92 0.00 0.00 175.35 175.18 3mkq s VAL 585 N -1.97 4.36 -0.03 3.17 0.11 -0.72 -0.97 120.40 124.36 3mkq s VAL 585 Ca 0.02 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 3mkq s VAL 585 Cb -0.06 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.82 3mkq s VAL 585 CO 0.01 0.41 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.72 3mkq s TYR 586 N -1.09 2.64 0.24 1.54 1.51 0.83 -1.78 117.35 121.25 3mkq s TYR 586 Ca 0.19 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 3mkq s TYR 586 Cb -0.12 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 3mkq s TYR 586 CO 0.10 0.17 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.19 3mkq s LEU 587 N -0.82 2.25 -0.06 -1.29 1.43 -0.22 0.57 118.68 120.53 3mkq s LEU 587 Ca 0.12 -1.22 -0.09 0.00 -1.03 0.00 0.00 54.13 51.92 3mkq s LEU 587 Cb -0.11 -0.35 0.02 0.00 0.03 0.00 0.00 46.19 45.78 3mkq s LEU 587 CO 0.01 -0.48 0.22 0.00 0.23 0.00 0.00 176.35 176.33 3mkq s ALA 588 N -3.33 -0.54 0.79 4.21 0.00 0.10 -1.09 121.76 121.90 3mkq s ALA 588 Ca 0.29 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 3mkq s ALA 588 Cb 0.05 -0.23 0.15 0.00 0.00 0.00 0.00 23.12 23.09 3mkq s ALA 588 CO 0.09 -0.14 1.09 0.16 0.00 0.00 0.00 175.76 176.96 3mkq s ASP 589 N -0.32 3.97 0.25 0.00 1.47 -1.06 -0.15 116.67 120.82 3mkq s ASP 589 Ca -0.04 -0.24 -0.06 0.00 1.18 0.00 0.00 52.55 53.38 3mkq s ASP 589 Cb -0.03 -0.02 0.45 0.00 -0.34 0.00 0.00 42.92 42.98 3mkq s ASP 589 CO 0.01 -2.13 1.64 -0.09 0.68 0.00 0.00 175.17 175.28 3mkq h ARG 590 N -0.84 0.12 -0.29 2.11 2.43 -1.92 -0.73 114.38 115.25 3mkq h ARG 590 Ca -0.38 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3mkq h ARG 590 Cb 1.26 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3mkq h ARG 590 CO 0.38 0.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.32 3mkq n GLU 591 N -5.32 1.53 -2.97 0.20 1.02 -1.26 -4.26 120.64 109.59 3mkq n GLU 591 Ca 0.14 -0.72 -0.12 0.00 -0.02 0.00 0.00 57.16 56.44 3mkq n GLU 591 Cb 0.48 -1.23 0.05 0.00 -0.02 0.00 0.00 31.44 30.73 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 0.09 -3.02 -3.42 2.62 0.31 -0.28 -4.27 118.33 110.36 3mkq n VAL 592 Ca 0.07 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.81 3mkq n VAL 592 Cb 0.21 -3.68 -0.06 0.00 -0.91 0.00 0.00 33.84 29.40 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 -3.21 3.72 -0.13 3.52 3.76 -1.26 -4.90 115.29 116.79 3mkq s HIS 593 Ca 0.12 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 56.04 3mkq s HIS 593 Cb -0.05 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 3mkq s HIS 593 CO 0.44 0.57 0.01 0.08 -0.85 0.00 0.00 174.74 174.99 3mkq s VAL 594 N -0.88 4.35 0.19 -0.90 1.01 -1.26 -2.57 120.40 120.35 3mkq s VAL 594 Ca 0.25 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.11 3mkq s VAL 594 Cb -0.17 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3mkq s VAL 594 CO 0.14 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.30 3mkq s TYR 595 N -0.18 1.80 0.33 5.22 1.51 -0.25 0.72 117.35 126.49 3mkq s TYR 595 Ca 0.05 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 3mkq s TYR 595 Cb -0.12 -0.86 -0.07 0.00 -0.11 0.00 0.00 41.96 40.80 3mkq s TYR 595 CO 0.02 0.37 0.01 0.20 -1.11 0.00 0.00 175.55 175.04 3mkq s GLY 596 N -3.03 2.10 -0.28 0.71 0.00 -1.26 -1.06 107.32 104.49 3mkq s GLY 596 Ca 0.20 -2.07 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 3mkq s GLY 596 CO 0.07 -1.89 0.56 -0.47 0.00 0.00 0.00 173.10 171.37 3mkq s TYR 597 N -3.07 -1.38 0.16 1.90 6.14 -0.73 -4.86 117.35 115.51 3mkq s TYR 597 Ca 0.34 1.64 -0.31 0.00 0.64 0.00 0.00 57.07 59.38 3mkq s TYR 597 Cb 0.07 0.49 -0.09 0.00 0.42 0.00 0.00 41.96 42.85 3mkq s TYR 597 CO 0.15 -0.80 1.47 -2.00 0.64 0.00 0.00 175.55 175.02 3mkq s GLU 598 N 2.79 4.27 -0.10 4.97 2.12 -1.26 -1.75 118.70 129.75 3mkq s GLU 598 Ca 0.14 2.23 -0.03 0.00 0.36 0.00 0.00 54.97 57.68 3mkq s GLU 598 Cb -0.14 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.10 3mkq s GLU 598 CO -0.19 -0.50 0.06 0.42 -0.54 0.00 0.00 175.26 174.50 3mkq s ILE 599 N 0.94 0.01 -0.11 -3.70 1.01 0.77 -4.95 121.20 115.16 3mkq s ILE 599 Ca 0.66 0.12 -0.37 0.00 0.00 0.00 0.00 60.65 61.07 3mkq s ILE 599 Cb -0.41 -0.40 -0.14 0.00 0.01 0.00 0.00 42.46 41.52 3mkq s ILE 599 CO 0.33 0.01 1.74 -0.24 0.00 0.00 0.00 174.94 176.77 3mkq n SER 600 N 5.25 2.81 -0.14 3.58 2.88 -1.26 -4.44 113.62 122.29 3mkq n SER 600 Ca -0.05 1.04 -0.00 0.00 -1.33 0.00 0.00 58.87 58.53 3mkq n SER 600 Cb 0.49 -1.27 0.26 0.00 -0.75 0.00 0.00 64.21 62.94 3mkq n SER 600 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3mkq h LEU 601 N 7.57 0.75 -0.45 2.46 5.85 -1.93 -2.19 115.31 127.37 3mkq h LEU 601 Ca -0.47 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.08 3mkq h LEU 601 Cb 1.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3mkq h LEU 601 CO 0.93 0.62 -0.14 -0.33 -0.34 0.00 0.00 178.44 179.18 3mkq h GLU 602 N 0.85 0.90 -0.26 1.25 4.39 -1.94 -1.61 114.58 118.16 3mkq h GLU 602 Ca 0.22 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3mkq h GLU 602 Cb 0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3mkq h GLU 602 CO -0.03 1.01 0.15 0.28 -1.16 0.00 0.00 179.01 179.26 3mkq h VAL 603 N 0.73 1.10 -0.61 3.13 2.07 -1.86 -0.35 116.25 120.47 3mkq h VAL 603 Ca 0.11 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3mkq h VAL 603 Cb 0.69 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3mkq h VAL 603 CO 0.05 0.10 0.36 -0.07 0.02 0.00 0.00 177.57 178.03 3mkq h LEU 604 N 0.32 0.56 -0.68 2.57 4.07 -1.31 -1.39 115.31 119.46 3mkq h LEU 604 Ca 0.09 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.95 3mkq h LEU 604 Cb 0.03 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3mkq h LEU 604 CO -0.02 0.38 -0.19 -0.08 -1.08 0.00 0.00 178.44 177.46 3mkq h GLU 605 N 0.69 0.83 -0.03 1.13 4.57 -1.06 -0.71 114.58 120.00 3mkq h GLU 605 Ca 0.26 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3mkq h GLU 605 Cb 0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3mkq h GLU 605 CO -0.13 0.95 -0.10 0.35 -1.18 0.00 0.00 179.01 178.90 3mkq h PHE 606 N 0.73 -0.26 -0.88 0.92 3.57 -0.41 -1.04 116.94 119.56 3mkq h PHE 606 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3mkq h PHE 606 Cb 0.71 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3mkq h PHE 606 CO 0.04 -0.16 0.59 1.96 -2.23 0.00 0.00 178.31 178.51 3mkq h GLN 607 N -0.16 1.15 0.16 1.11 4.20 -1.06 -0.59 115.11 119.91 3mkq h GLN 607 Ca 0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3mkq h GLN 607 Cb 0.23 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3mkq h GLN 607 CO -0.13 0.76 -0.08 1.15 -0.67 0.00 0.00 178.83 179.87 3mkq h THR 608 N 1.19 0.85 -0.33 -0.54 2.02 -0.60 0.13 112.91 115.62 3mkq h THR 608 Ca 0.33 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 3mkq h THR 608 Cb -0.12 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3mkq h THR 608 CO -0.08 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 175.92 3mkq h LEU 609 N -0.22 0.42 -0.76 2.58 3.38 -0.99 -1.35 115.31 118.38 3mkq h LEU 609 Ca -0.02 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3mkq h LEU 609 Cb 0.17 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3mkq h LEU 609 CO 0.04 0.40 0.45 0.74 0.09 0.00 0.00 178.44 180.16 3mkq h THR 610 N 0.41 1.00 0.00 0.22 2.02 -0.93 0.24 112.91 115.87 3mkq h THR 610 Ca 0.12 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3mkq h THR 610 Cb 0.08 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3mkq h THR 610 CO -0.02 0.15 -0.15 -0.07 0.37 0.00 0.00 175.52 175.80 3mkq h LEU 611 N 0.82 0.00 -0.88 2.58 3.38 -0.30 -1.79 115.31 119.13 3mkq h LEU 611 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3mkq h LEU 611 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mkq h LEU 611 CO -0.18 0.15 0.00 0.54 0.09 0.00 0.00 178.44 179.04 3mkq n ARG 612 N -3.54 1.59 -0.68 1.13 1.74 -0.19 -4.90 116.66 111.81 3mkq n ARG 612 Ca -0.01 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 3mkq n ARG 612 Cb 0.30 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3mkq n ARG 612 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mkq n GLY 613 N 1.12 0.58 2.32 -0.13 0.00 -0.67 -4.99 105.19 103.43 3mkq n GLY 613 Ca 0.18 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.68 3.45 0.01 1.61 1.02 0.67 -4.80 120.64 119.92 3mkq n GLU 614 Ca 0.00 -4.29 -0.10 0.00 -0.02 0.00 0.00 57.16 52.74 3mkq n GLU 614 Cb 0.00 -2.26 -0.04 0.00 -0.02 0.00 0.00 31.44 29.12 3mkq n GLU 614 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3mkq h ILE 615 N 2.35 0.35 -0.68 -3.67 5.03 -1.80 0.22 117.51 119.30 3mkq h ILE 615 Ca 0.35 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 65.24 3mkq h ILE 615 Cb 1.11 0.35 -0.11 0.00 -3.03 0.00 0.00 36.82 35.14 3mkq h ILE 615 CO 0.87 0.00 0.08 -0.33 -0.68 0.00 0.00 178.15 178.09 3mkq h GLU 616 N -0.37 0.18 -0.53 2.37 4.39 -1.95 1.98 114.58 120.65 3mkq h GLU 616 Ca 0.09 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3mkq h GLU 616 Cb 0.51 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 3mkq h GLU 616 CO -0.32 0.12 0.31 1.49 -1.16 0.00 0.00 179.01 179.45 3mkq h GLU 617 N 0.18 0.74 -0.45 2.33 4.22 -1.65 -0.24 114.58 119.71 3mkq h GLU 617 Ca 0.37 -0.08 -0.11 0.00 0.08 0.00 0.00 59.36 59.63 3mkq h GLU 617 Cb 0.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3mkq h GLU 617 CO -0.54 0.55 -0.14 0.00 -2.18 0.00 0.00 179.01 176.71 3mkq h ALA 618 N 1.14 0.62 -0.09 2.92 0.00 0.28 -0.27 119.26 123.87 3mkq h ALA 618 Ca 0.19 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3mkq h ALA 618 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mkq h ALA 618 CO -0.03 0.54 -0.20 0.82 0.00 0.00 0.00 179.25 180.38 3mkq h ILE 619 N 0.72 1.19 0.03 0.00 2.04 0.32 0.15 117.51 121.95 3mkq h ILE 619 Ca 0.11 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3mkq h ILE 619 Cb 0.69 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3mkq h ILE 619 CO 0.05 0.26 -0.01 -0.08 0.00 0.00 0.00 178.15 178.36 3mkq h GLU 620 N 0.13 -0.04 0.04 2.37 4.81 -0.79 -3.37 114.58 117.73 3mkq h GLU 620 Ca 0.02 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.96 3mkq h GLU 620 Cb 0.43 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3mkq h GLU 620 CO 0.03 -0.01 -1.66 -0.91 -0.73 0.00 0.00 179.01 175.72 3mkq h ASN 621 N -1.01 0.12 0.02 1.04 2.35 -1.12 -3.40 115.58 113.57 3mkq h ASN 621 Ca -0.00 -0.23 -0.29 0.00 -0.55 0.00 0.00 56.30 55.23 3mkq h ASN 621 Cb 0.04 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3mkq h ASN 621 CO 0.01 1.20 -1.60 0.52 -1.65 0.00 0.00 177.43 175.91 3mkq n VAL 622 N -3.20 1.57 -0.24 2.81 0.31 -0.38 -4.52 118.33 114.68 3mkq n VAL 622 Ca -0.18 -0.19 0.04 0.00 -0.01 0.00 0.00 64.34 64.00 3mkq n VAL 622 Cb 1.04 -1.96 0.14 0.00 -0.91 0.00 0.00 33.84 32.16 3mkq n VAL 622 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3mkq h LEU 623 N -0.81 -0.30 -2.00 7.52 5.85 -0.93 -0.73 115.31 123.90 3mkq h LEU 623 Ca -0.42 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.58 3mkq h LEU 623 Cb 1.48 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3mkq h LEU 623 CO -0.19 -0.15 0.41 -0.65 -0.34 0.00 0.00 178.44 177.52 3mkq h PRO 624 N 0.12 0.00 -0.13 5.25 0.11 -1.78 -1.16 132.00 134.42 3mkq h PRO 624 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3mkq h PRO 624 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3mkq h PRO 624 CO -0.61 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.27 3mkq n ASN 625 N -3.66 2.90 -3.71 -2.05 5.03 -0.29 -4.72 115.26 108.76 3mkq n ASN 625 Ca 0.06 -1.89 -0.42 0.00 0.87 0.00 0.00 54.58 53.21 3mkq n ASN 625 Cb 0.57 -0.07 -0.00 0.00 -1.02 0.00 0.00 39.78 39.26 3mkq n ASN 625 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3mkq n VAL 626 N 1.21 4.33 -2.24 2.41 0.31 -0.44 -4.98 118.33 118.93 3mkq n VAL 626 Ca 0.14 -3.92 -0.39 0.00 -0.01 0.00 0.00 64.34 60.16 3mkq n VAL 626 Cb 0.53 -2.38 -0.02 0.00 -0.91 0.00 0.00 33.84 31.06 3mkq n VAL 626 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3mkq s GLU 627 N 0.83 4.04 0.00 5.55 0.41 -1.26 -4.66 118.70 123.61 3mkq s GLU 627 Ca 0.47 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 56.94 3mkq s GLU 627 Cb 0.13 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 3mkq s GLU 627 CO -0.04 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 174.78 3mkq n GLY 628 N 0.65 3.17 0.43 -1.39 0.00 -1.26 -4.80 105.19 102.00 3mkq n GLY 628 Ca 0.04 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 3mkq n GLY 628 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mkq h LYS 629 N 0.00 -0.59 0.00 1.61 3.11 -1.99 0.19 116.57 118.89 3mkq h LYS 629 Ca 0.00 0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.82 3mkq h LYS 629 Cb 0.00 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 3mkq h LYS 629 CO 0.00 -0.40 -0.28 0.38 -2.81 0.00 0.00 179.45 176.34 3mkq h ASP 630 N -0.62 0.00 -0.76 4.20 2.03 -1.98 0.74 116.42 120.03 3mkq h ASP 630 Ca 0.03 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.29 3mkq h ASP 630 Cb 0.69 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.15 3mkq h ASP 630 CO -0.33 0.28 0.31 0.28 -1.03 0.00 0.00 179.24 178.75 3mkq h SER 631 N 0.00 1.06 -0.44 4.15 0.02 -1.56 0.92 113.55 117.69 3mkq h SER 631 Ca -0.00 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.64 3mkq h SER 631 Cb 0.62 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3mkq h SER 631 CO 0.04 0.94 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.37 3mkq h LEU 632 N 1.11 0.98 -0.04 5.07 3.38 0.32 0.32 115.31 126.44 3mkq h LEU 632 Ca 0.25 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3mkq h LEU 632 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3mkq h LEU 632 CO -0.02 1.16 0.02 0.74 0.09 0.00 0.00 178.44 180.43 3mkq h THR 633 N 0.82 1.09 0.20 0.22 2.02 0.16 0.00 112.91 117.43 3mkq h THR 633 Ca 0.11 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3mkq h THR 633 Cb 0.80 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3mkq h THR 633 CO 0.07 0.08 -0.29 0.11 0.37 0.00 0.00 175.52 175.86 3mkq h LYS 634 N -0.04 -0.53 -0.89 6.66 1.57 0.10 -0.43 116.57 123.01 3mkq h LYS 634 Ca 0.01 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 3mkq h LYS 634 Cb 0.11 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 3mkq h LYS 634 CO -0.00 -0.35 0.48 0.82 -0.57 0.00 0.00 179.45 179.82 3mkq h ILE 635 N -0.55 0.73 -0.66 1.86 2.04 -0.78 0.54 117.51 120.69 3mkq h ILE 635 Ca 0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3mkq h ILE 635 Cb 0.54 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3mkq h ILE 635 CO -0.11 0.12 0.36 0.00 0.00 0.00 0.00 178.15 178.52 3mkq h ALA 636 N 1.58 0.85 0.00 1.87 0.00 -0.19 0.73 119.26 124.09 3mkq h ALA 636 Ca 0.49 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 3mkq h ALA 636 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3mkq h ALA 636 CO -0.36 0.37 -0.49 0.00 0.00 0.00 0.00 179.25 178.77 3mkq h ARG 637 N 0.91 0.00 0.01 0.00 3.08 0.18 -0.76 114.38 117.79 3mkq h ARG 637 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3mkq h ARG 637 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3mkq h ARG 637 CO -0.04 0.49 -0.01 0.35 -1.07 0.00 0.00 179.97 179.70 3mkq h PHE 638 N 0.00 -0.01 -0.44 3.04 3.57 -0.48 -1.04 116.94 121.58 3mkq h PHE 638 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3mkq h PHE 638 Cb 1.07 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 3mkq h PHE 638 CO 0.00 0.43 0.15 -0.07 -2.23 0.00 0.00 178.31 176.59 3mkq h LEU 639 N -0.46 0.16 -0.87 0.59 4.07 -0.73 -1.10 115.31 116.97 3mkq h LEU 639 Ca -0.00 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 3mkq h LEU 639 Cb 0.45 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3mkq h LEU 639 CO 0.00 0.12 0.26 -0.08 -1.08 0.00 0.00 178.44 177.67 3mkq h GLU 640 N 0.32 1.09 0.00 1.13 4.81 -1.09 -0.49 114.58 120.34 3mkq h GLU 640 Ca 0.21 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3mkq h GLU 640 Cb 0.20 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3mkq h GLU 640 CO -0.21 0.91 -0.13 0.78 -0.73 0.00 0.00 179.01 179.62 3mkq h GLY 641 N 1.10 0.00 -0.57 1.92 0.00 -0.39 -1.37 103.07 103.77 3mkq h GLY 641 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3mkq h GLY 641 CO -0.01 0.00 -0.10 -0.18 0.00 0.00 0.00 176.54 176.24 3mkq n GLN 642 N -3.48 1.53 -0.92 4.80 -0.06 -0.49 -4.96 117.38 113.81 3mkq n GLN 642 Ca -0.01 -1.01 0.00 0.00 -2.00 0.00 0.00 57.00 53.98 3mkq n GLN 642 Cb 0.29 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 3mkq n GLN 642 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3mkq n GLU 643 N 0.14 0.00 -2.70 3.69 1.02 -0.51 -4.97 120.64 117.31 3mkq n GLU 643 Ca 0.16 0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 57.28 3mkq n GLU 643 Cb 0.40 -3.56 0.01 0.00 -0.02 0.00 0.00 31.44 28.27 3mkq n GLU 643 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mkq n TYR 644 N -2.92 2.55 -0.27 -0.32 4.02 -0.29 -4.79 117.16 115.15 3mkq n TYR 644 Ca 0.00 -2.60 -0.04 0.00 -0.01 0.00 0.00 57.90 55.25 3mkq n TYR 644 Cb 0.00 -1.32 0.07 0.00 -0.02 0.00 0.00 39.34 38.07 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 4.80 0.92 -0.01 -0.72 -1.99 -1.86 0.29 116.97 118.39 3mkq h TYR 645 Ca 0.42 0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.18 3mkq h TYR 645 Cb 0.45 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3mkq h TYR 645 CO 1.24 0.56 -0.06 1.49 -0.00 0.00 0.00 178.16 181.39 3mkq h GLU 646 N 0.98 -0.10 -0.49 4.88 4.81 -1.94 0.33 114.58 123.05 3mkq h GLU 646 Ca 0.28 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 3mkq h GLU 646 Cb -0.07 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3mkq h GLU 646 CO -0.08 -0.06 -0.12 0.93 -0.73 0.00 0.00 179.01 178.95 3mkq h GLU 647 N -0.10 0.91 -0.54 1.92 3.07 -1.92 -2.45 114.58 115.46 3mkq h GLU 647 Ca 0.03 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.59 3mkq h GLU 647 Cb 0.14 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3mkq h GLU 647 CO -0.07 0.97 0.32 0.00 -1.40 0.00 0.00 179.01 178.83 3mkq h ALA 648 N 1.05 0.70 -0.40 3.43 0.00 0.10 -2.12 119.26 122.01 3mkq h ALA 648 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3mkq h ALA 648 Cb 0.65 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3mkq h ALA 648 CO 0.05 0.02 0.11 1.25 0.00 0.00 0.00 179.25 180.67 3mkq h LEU 649 N 0.62 0.07 -1.26 0.00 5.85 -0.02 -0.20 115.31 120.37 3mkq h LEU 649 Ca 0.22 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3mkq h LEU 649 Cb 0.05 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3mkq h LEU 649 CO -0.11 0.08 0.10 0.78 -0.34 0.00 0.00 178.44 178.95 3mkq h ASN 650 N 0.25 0.56 0.12 1.25 4.21 -0.98 -3.28 115.58 117.71 3mkq h ASN 650 Ca 0.19 -0.08 -0.26 0.00 1.21 0.00 0.00 56.30 57.36 3mkq h ASN 650 Cb 0.20 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3mkq h ASN 650 CO -0.22 0.56 -1.28 0.40 -1.29 0.00 0.00 177.43 175.59 3mkq h ILE 651 N 0.59 1.14 -1.67 2.81 1.08 -1.03 -3.48 117.51 116.95 3mkq h ILE 651 Ca 0.14 -2.44 -0.68 0.00 -0.39 0.00 0.00 64.86 61.49 3mkq h ILE 651 Cb 0.22 2.83 0.05 0.00 -3.07 0.00 0.00 36.82 36.86 3mkq h ILE 651 CO -0.00 0.71 0.45 -0.24 -0.69 0.00 0.00 178.15 178.37 3mkq n SER 652 N -3.96 1.62 -1.02 1.72 2.88 -0.12 -4.88 113.62 109.86 3mkq n SER 652 Ca -0.22 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.54 3mkq n SER 652 Cb 0.89 -1.19 0.19 0.00 -0.75 0.00 0.00 64.21 63.35 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 2.50 2.33 -3.14 -1.46 -0.04 -1.26 -4.86 135.00 129.07 3mkq n PRO 653 Ca 0.18 -2.14 -0.44 0.00 -0.04 0.00 0.00 63.50 61.07 3mkq n PRO 653 Cb 0.19 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.39 6.23 0.30 3.54 -1.08 -1.26 -4.95 116.67 118.06 3mkq s ASP 654 Ca 0.34 -0.90 0.04 0.00 -0.52 0.00 0.00 52.55 51.51 3mkq s ASP 654 Cb 0.20 -2.30 0.64 0.00 -1.46 0.00 0.00 42.92 40.00 3mkq s ASP 654 CO 0.28 -0.91 1.84 1.56 0.52 0.00 0.00 175.17 178.46 3mkq h GLN 655 N 9.02 0.88 0.31 4.34 7.50 -1.99 0.22 115.11 135.38 3mkq h GLN 655 Ca -0.27 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 58.81 3mkq h GLN 655 Cb 1.09 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.43 3mkq h GLN 655 CO 0.97 0.58 -0.15 -0.44 -1.50 0.00 0.00 178.83 178.30 3mkq h ASP 656 N 0.90 -0.35 -0.78 1.46 3.32 -1.98 -2.21 116.42 116.78 3mkq h ASP 656 Ca 0.49 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.49 3mkq h ASP 656 Cb 0.58 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 3mkq h ASP 656 CO -0.26 -0.04 0.51 -0.61 -1.72 0.00 0.00 179.24 177.12 3mkq h GLN 657 N -0.68 0.70 -0.73 3.56 4.15 -1.87 -0.15 115.11 120.09 3mkq h GLN 657 Ca -0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3mkq h GLN 657 Cb 0.48 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3mkq h GLN 657 CO 0.07 0.46 0.46 0.87 -1.93 0.00 0.00 178.83 178.76 3mkq h LYS 658 N 0.72 0.97 -0.01 1.69 1.57 -0.76 0.14 116.57 120.89 3mkq h LYS 658 Ca 0.35 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3mkq h LYS 658 Cb 0.42 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3mkq h LYS 658 CO -0.13 0.66 -0.00 0.35 -0.57 0.00 0.00 179.45 179.76 3mkq h PHE 659 N 0.99 0.02 -0.59 -1.35 3.57 -0.41 0.15 116.94 119.33 3mkq h PHE 659 Ca 0.26 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3mkq h PHE 659 Cb -0.07 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3mkq h PHE 659 CO 0.00 0.34 0.19 0.93 -2.23 0.00 0.00 178.31 177.54 3mkq h GLU 660 N -0.30 0.90 -0.03 1.11 5.08 -1.11 -2.23 114.58 118.00 3mkq h GLU 660 Ca 0.00 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3mkq h GLU 660 Cb 0.33 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3mkq h GLU 660 CO 0.00 0.80 0.01 -0.07 -1.00 0.00 0.00 179.01 178.76 3mkq h LEU 661 N 0.82 0.04 -0.33 1.33 3.38 -0.69 -1.85 115.31 118.00 3mkq h LEU 661 Ca 0.19 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3mkq h LEU 661 Cb 0.27 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3mkq h LEU 661 CO -0.01 0.14 -0.22 0.00 0.09 0.00 0.00 178.44 178.43 3mkq h ALA 662 N 0.90 -0.02 -0.99 1.53 0.00 -0.77 -0.11 119.26 119.80 3mkq h ALA 662 Ca 0.01 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3mkq h ALA 662 Cb 0.11 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3mkq h ALA 662 CO -0.00 -0.62 0.65 -0.07 0.00 0.00 0.00 179.25 179.22 3mkq h LEU 663 N -0.18 1.12 -1.47 0.00 3.38 -1.32 0.12 115.31 116.96 3mkq h LEU 663 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3mkq h LEU 663 Cb 0.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3mkq h LEU 663 CO -0.44 0.80 -0.24 0.50 0.09 0.00 0.00 178.44 179.15 3mkq h LYS 664 N 1.32 0.04 0.00 1.13 1.63 -0.37 -3.09 116.57 117.23 3mkq h LYS 664 Ca 0.37 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.12 3mkq h LYS 664 Cb -0.12 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3mkq h LYS 664 CO -0.09 0.28 -1.49 1.55 -3.45 0.00 0.00 179.45 176.25 3mkq n VAL 665 N -4.24 0.49 0.00 2.00 3.14 -0.17 -4.99 118.33 114.55 3mkq n VAL 665 Ca -0.02 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 3mkq n VAL 665 Cb 0.30 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 3mkq n VAL 665 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mkq n GLY 666 N 1.26 0.65 3.03 7.55 0.00 0.33 -4.99 105.19 113.02 3mkq n GLY 666 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.50 3.26 0.17 1.61 6.02 -0.81 -4.73 117.38 121.39 3mkq n GLN 667 Ca 0.00 -3.23 -0.14 0.00 -0.01 0.00 0.00 57.00 53.62 3mkq n GLN 667 Cb 0.00 -3.16 -0.08 0.00 1.02 0.00 0.00 30.24 28.02 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 9.61 -0.32 -0.83 1.08 3.38 -1.93 -1.78 115.31 124.52 3mkq h LEU 668 Ca 0.45 -0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.56 3mkq h LEU 668 Cb 0.71 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 3mkq h LEU 668 CO 1.63 -0.15 0.27 0.74 0.09 0.00 0.00 178.44 181.03 3mkq h THR 669 N -0.47 0.46 0.01 0.22 2.02 -1.98 0.67 112.91 113.84 3mkq h THR 669 Ca -0.04 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3mkq h THR 669 Cb 0.36 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3mkq h THR 669 CO 0.06 0.06 -0.00 0.25 0.37 0.00 0.00 175.52 176.26 3mkq h LEU 670 N 0.31 -0.01 -0.12 2.58 5.85 -1.91 -1.76 115.31 120.25 3mkq h LEU 670 Ca 0.50 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.09 3mkq h LEU 670 Cb 0.92 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3mkq h LEU 670 CO -0.55 0.16 -0.19 0.00 -0.34 0.00 0.00 178.44 177.53 3mkq h ALA 671 N 0.81 -0.13 -0.84 1.25 0.00 -0.10 -1.64 119.26 118.62 3mkq h ALA 671 Ca -0.00 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.16 3mkq h ALA 671 Cb 0.18 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 3mkq h ALA 671 CO 0.00 -0.64 0.07 -0.09 0.00 0.00 0.00 179.25 178.59 3mkq h ARG 672 N -0.24 0.11 0.00 0.00 1.12 0.47 0.10 114.38 115.95 3mkq h ARG 672 Ca 0.10 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.92 3mkq h ARG 672 Cb 0.38 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 3mkq h ARG 672 CO -0.26 0.08 -0.19 -0.44 -3.11 0.00 0.00 179.97 176.04 3mkq h ASP 673 N 0.12 0.00 0.98 -3.80 3.32 -0.40 -2.33 116.42 114.30 3mkq h ASP 673 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3mkq h ASP 673 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3mkq h ASP 673 CO -0.71 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.18 3mkq n LEU 674 N -3.37 0.46 -0.01 1.55 4.77 0.34 -4.15 117.00 116.59 3mkq n LEU 674 Ca 0.00 0.57 -0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3mkq n LEU 674 Cb 0.40 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3mkq n LEU 674 CO 0.32 -0.27 -0.02 -0.07 -1.33 0.00 0.00 177.39 176.02 3mkq h LEU 675 N 0.00 0.00 0.00 2.23 3.38 -1.28 -3.45 115.31 116.19 3mkq h LEU 675 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mkq h LEU 675 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3mkq h LEU 675 CO 0.00 0.12 0.00 0.41 0.09 0.00 0.00 178.44 179.06 3mkq n THR 676 N -2.62 0.00 -1.56 0.22 -1.04 -1.24 0.38 114.28 108.42 3mkq n THR 676 Ca -0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3mkq n THR 676 Cb 0.02 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.57 3mkq n THR 676 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3mkq n ASP 677 N 7.40 7.42 0.00 8.00 2.03 -1.26 -4.67 116.55 135.46 3mkq n ASP 677 Ca 0.00 -3.69 0.00 0.00 0.52 0.00 0.00 54.79 51.62 3mkq n ASP 677 Cb 0.00 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 3mkq n ASP 677 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3mkq n GLU 678 N -0.48 0.00 0.00 -0.67 -0.58 0.16 -4.81 120.64 114.26 3mkq n GLU 678 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 3mkq n GLU 678 Cb 0.46 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3mkq n GLU 678 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3mkq n SER 679 N -0.88 0.00 -0.29 1.62 3.41 -1.26 -4.83 113.62 111.39 3mkq n SER 679 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mkq n SER 679 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 10.85 -0.55 -0.23 7.33 0.00 -1.26 -4.59 120.51 132.06 3mkq n ALA 680 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.74 3mkq n ALA 680 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 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 0.52 0.04 -0.72 0.00 5.08 -1.90 0.75 114.58 118.34 3mkq h GLU 681 Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3mkq h GLU 681 Cb 0.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3mkq h GLU 681 CO 0.00 0.02 0.47 1.98 -1.00 0.00 0.00 179.01 180.49 3mkq h MET 682 N 0.04 0.56 -0.14 2.33 4.05 -1.92 0.47 114.93 120.32 3mkq h MET 682 Ca 0.48 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.82 3mkq h MET 682 Cb 1.84 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 32.51 3mkq h MET 682 CO -0.03 0.37 -0.07 0.87 0.23 0.00 0.00 176.91 178.28 3mkq h LYS 683 N 0.58 0.29 -0.73 0.39 1.57 0.26 0.31 116.57 119.25 3mkq h LYS 683 Ca 0.33 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3mkq h LYS 683 Cb 0.53 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3mkq h LYS 683 CO -0.12 0.63 0.38 -1.49 -0.57 0.00 0.00 179.45 178.28 3mkq h TRP 684 N -0.05 1.02 -0.89 -1.35 4.06 -1.21 -0.98 115.95 116.55 3mkq h TRP 684 Ca 0.03 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 3mkq h TRP 684 Cb 0.54 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.34 3mkq h TRP 684 CO 0.07 0.74 0.51 -0.09 -3.56 0.00 0.00 178.44 176.10 3mkq h ARG 685 N 1.01 1.23 -0.65 0.49 2.43 0.09 0.12 114.38 119.10 3mkq h ARG 685 Ca 0.25 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3mkq h ARG 685 Cb 0.07 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3mkq h ARG 685 CO -0.04 0.88 0.24 0.00 -1.51 0.00 0.00 179.97 179.54 3mkq h ALA 686 N 1.28 1.19 -0.23 2.80 0.00 0.33 -2.28 119.26 122.34 3mkq h ALA 686 Ca 0.32 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3mkq h ALA 686 Cb -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3mkq h ALA 686 CO -0.05 0.58 -0.53 1.25 0.00 0.00 0.00 179.25 180.50 3mkq h LEU 687 N 0.95 0.73 -0.20 0.00 5.85 -0.24 -2.61 115.31 119.79 3mkq h LEU 687 Ca 0.22 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3mkq h LEU 687 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3mkq h LEU 687 CO -0.02 1.12 0.11 1.23 -0.34 0.00 0.00 178.44 180.54 3mkq h GLY 688 N 0.95 0.27 0.93 3.75 0.00 -0.30 0.58 103.07 109.25 3mkq h GLY 688 Ca 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3mkq h GLY 688 CO 0.11 0.07 0.05 -0.55 0.00 0.00 0.00 176.54 176.22 3mkq h ASP 689 N 0.23 0.61 -0.88 0.19 3.32 -1.46 0.62 116.42 119.06 3mkq h ASP 689 Ca 0.08 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 56.91 3mkq h ASP 689 Cb 0.01 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 3mkq h ASP 689 CO -0.05 0.73 0.56 0.00 -1.72 0.00 0.00 179.24 178.76 3mkq h ALA 690 N 0.91 1.18 -0.21 3.45 0.00 -1.28 -0.25 119.26 123.06 3mkq h ALA 690 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3mkq h ALA 690 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3mkq h ALA 690 CO 0.01 0.35 -0.02 0.77 0.00 0.00 0.00 179.25 180.36 3mkq h SER 691 N 1.05 0.38 -0.34 0.00 0.02 -0.49 -2.92 113.55 111.24 3mkq h SER 691 Ca 0.37 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3mkq h SER 691 Cb 0.09 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3mkq h SER 691 CO -0.15 0.63 0.14 0.25 -1.14 0.00 0.00 176.83 176.56 3mkq h LEU 692 N 0.12 0.52 -1.30 5.07 5.85 -0.43 -0.37 115.31 124.76 3mkq h LEU 692 Ca 0.06 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3mkq h LEU 692 Cb 0.45 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3mkq h LEU 692 CO 0.02 0.49 -0.35 1.56 -0.34 0.00 0.00 178.44 179.82 3mkq h GLN 693 N 0.57 0.00 -0.67 1.25 4.20 -0.92 -2.58 115.11 116.96 3mkq h GLN 693 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3mkq h GLN 693 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3mkq h GLN 693 CO -0.01 0.35 0.00 0.54 -0.67 0.00 0.00 178.83 179.03 3mkq n ARG 694 N -4.06 2.99 -2.15 1.46 1.74 -0.81 -4.94 116.66 110.88 3mkq n ARG 694 Ca -0.02 -2.54 -0.17 0.00 -0.77 0.00 0.00 57.85 54.35 3mkq n ARG 694 Cb 0.39 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 3mkq n ARG 694 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3mkq n PHE 695 N 1.30 -0.64 -2.92 -1.55 3.01 -0.93 -4.92 117.46 110.82 3mkq n PHE 695 Ca 0.23 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.26 3mkq n PHE 695 Cb 0.69 -3.29 0.00 0.00 -0.01 0.00 0.00 39.48 36.87 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 -1.10 5.72 -0.08 4.37 2.85 -0.21 -4.81 115.26 121.99 3mkq n ASN 696 Ca -0.19 -3.19 0.06 0.00 -0.11 0.00 0.00 54.58 51.15 3mkq n ASN 696 Cb 0.63 -1.39 0.41 0.00 1.24 0.00 0.00 39.78 40.67 3mkq n ASN 696 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3mkq h PHE 697 N 6.05 0.59 -0.66 1.20 -1.00 -1.91 -1.57 116.94 119.63 3mkq h PHE 697 Ca 0.26 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.04 3mkq h PHE 697 Cb 0.72 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 3mkq h PHE 697 CO 1.02 0.34 0.35 -0.22 -1.61 0.00 0.00 178.31 178.19 3mkq h LYS 698 N 0.61 0.94 -0.11 1.51 3.64 -1.96 -1.67 116.57 119.53 3mkq h LYS 698 Ca 0.22 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 59.26 3mkq h LYS 698 Cb 0.13 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3mkq h LYS 698 CO -0.06 0.72 -0.80 -0.07 -2.27 0.00 0.00 179.45 176.97 3mkq h LEU 699 N 0.91 0.81 -0.36 5.20 3.38 -1.84 -3.00 115.31 120.42 3mkq h LEU 699 Ca 0.23 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.68 3mkq h LEU 699 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3mkq h LEU 699 CO -0.03 1.33 0.19 0.00 0.09 0.00 0.00 178.44 180.02 3mkq h ALA 700 N 0.64 0.44 0.05 1.53 0.00 -1.12 -0.10 119.26 120.71 3mkq h ALA 700 Ca -0.06 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mkq h ALA 700 Cb 1.42 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3mkq h ALA 700 CO 0.16 -0.17 -0.21 0.82 0.00 0.00 0.00 179.25 179.84 3mkq h ILE 701 N 0.39 0.51 -0.30 0.00 1.08 -1.32 -0.85 117.51 117.02 3mkq h ILE 701 Ca 0.15 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.63 3mkq h ILE 701 Cb 0.04 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3mkq h ILE 701 CO -0.09 0.00 0.17 -0.08 -0.69 0.00 0.00 178.15 177.46 3mkq h GLU 702 N -0.37 0.34 0.64 2.37 4.81 -1.35 -0.65 114.58 120.38 3mkq h GLU 702 Ca 0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3mkq h GLU 702 Cb 0.42 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.73 3mkq h GLU 702 CO -0.16 0.23 -0.31 0.00 -0.73 0.00 0.00 179.01 178.04 3mkq h ALA 703 N 1.13 -0.86 -0.56 2.92 0.00 -0.80 -0.41 119.26 120.68 3mkq h ALA 703 Ca 0.12 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3mkq h ALA 703 Cb -0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3mkq h ALA 703 CO -0.05 -0.96 0.38 0.74 0.00 0.00 0.00 179.25 179.35 3mkq h PHE 704 N -0.90 0.29 -0.28 0.00 0.05 -1.15 0.25 116.94 115.19 3mkq h PHE 704 Ca -0.09 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.68 3mkq h PHE 704 Cb 0.67 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 3mkq h PHE 704 CO -0.02 0.13 0.07 1.15 -0.18 0.00 0.00 178.31 179.46 3mkq h THR 705 N 0.26 1.21 0.00 -1.55 2.02 -0.57 -1.63 112.91 112.66 3mkq h THR 705 Ca 0.26 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3mkq h THR 705 Cb 0.68 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3mkq h THR 705 CO -0.06 0.23 -0.20 0.78 0.37 0.00 0.00 175.52 176.64 3mkq h ASN 706 N 0.29 0.00 0.72 4.18 2.35 0.75 -2.55 115.58 121.31 3mkq h ASN 706 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3mkq h ASN 706 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3mkq h ASN 706 CO 0.00 0.20 -0.18 0.00 -1.65 0.00 0.00 177.43 175.81 3mkq n ALA 707 N -2.23 2.79 -2.27 -0.83 0.00 0.65 -4.90 120.51 113.73 3mkq n ALA 707 Ca -0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 3mkq n ALA 707 Cb 0.40 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.40 -1.01 -2.75 0.00 8.25 -0.66 -4.86 115.22 112.80 3mkq n HIS 708 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 3mkq n HIS 708 Cb 0.32 -3.43 -0.01 0.00 1.12 0.00 0.00 29.99 27.99 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 -2.11 6.82 0.38 0.41 -1.08 -0.95 -4.84 116.67 115.29 3mkq s ASP 709 Ca 0.00 -2.37 0.06 0.00 -0.52 0.00 0.00 52.55 49.71 3mkq s ASP 709 Cb 0.00 -2.49 0.76 0.00 -1.46 0.00 0.00 42.92 39.73 3mkq s ASP 709 CO 0.00 -1.08 2.00 -0.07 0.52 0.00 0.00 175.17 176.54 3mkq h LEU 710 N 11.37 0.52 -0.69 -1.34 4.07 -1.89 -1.95 115.31 125.40 3mkq h LEU 710 Ca 0.32 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.18 3mkq h LEU 710 Cb 0.92 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 3mkq h LEU 710 CO 1.33 0.43 0.19 -0.33 -1.08 0.00 0.00 178.44 178.98 3mkq h GLU 711 N 0.59 1.09 -0.01 1.13 3.07 -1.98 -1.28 114.58 117.19 3mkq h GLU 711 Ca 0.15 -0.25 -0.15 0.00 -0.50 0.00 0.00 59.36 58.61 3mkq h GLU 711 Cb 0.03 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3mkq h GLU 711 CO -0.02 0.95 -0.60 0.77 -1.40 0.00 0.00 179.01 178.71 3mkq h SER 712 N 1.03 0.54 -0.41 1.42 0.02 -1.93 -3.01 113.55 111.20 3mkq h SER 712 Ca 0.22 -0.75 0.04 0.00 -0.84 0.00 0.00 61.79 60.46 3mkq h SER 712 Cb 0.34 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3mkq h SER 712 CO -0.00 1.22 0.28 0.25 -1.14 0.00 0.00 176.83 177.43 3mkq h LEU 713 N -0.09 0.34 -0.64 5.07 5.85 -1.34 -1.38 115.31 123.12 3mkq h LEU 713 Ca -0.07 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 3mkq h LEU 713 Cb 1.31 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3mkq h LEU 713 CO 0.12 0.23 -0.18 0.15 -0.34 0.00 0.00 178.44 178.42 3mkq h PHE 714 N 0.39 0.99 -0.26 1.25 3.57 -1.19 -1.36 116.94 120.33 3mkq h PHE 714 Ca 0.17 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3mkq h PHE 714 Cb 0.20 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3mkq h PHE 714 CO -0.00 0.98 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.98 3mkq h LEU 715 N 0.77 0.36 0.20 0.59 3.38 -1.12 -1.89 115.31 117.61 3mkq h LEU 715 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3mkq h LEU 715 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3mkq h LEU 715 CO 0.05 0.43 -0.10 -0.07 0.09 0.00 0.00 178.44 178.85 3mkq h LEU 716 N 0.38 -0.23 -1.78 1.67 3.38 -1.20 -2.44 115.31 115.08 3mkq h LEU 716 Ca 0.09 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3mkq h LEU 716 Cb 0.27 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3mkq h LEU 716 CO 0.01 0.21 0.26 0.45 0.09 0.00 0.00 178.44 179.45 3mkq h HIS 717 N -1.02 0.27 0.00 1.13 3.86 -1.32 0.12 115.15 118.18 3mkq h HIS 717 Ca -0.03 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.07 3mkq h HIS 717 Cb 0.21 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3mkq h HIS 717 CO 0.00 0.15 -0.54 0.66 0.86 0.00 0.00 177.93 179.06 3mkq h SER 718 N 0.27 0.00 0.02 2.45 4.64 -1.46 0.19 113.55 119.66 3mkq h SER 718 Ca 0.17 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 3mkq h SER 718 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3mkq h SER 718 CO -0.03 0.54 -0.56 0.28 -0.87 0.00 0.00 176.83 176.19 3mkq h SER 719 N 0.00 0.46 -0.07 4.97 0.02 -0.45 -3.25 113.55 115.23 3mkq h SER 719 Ca -0.01 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 3mkq h SER 719 Cb 1.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3mkq h SER 719 CO 0.07 1.20 0.00 0.49 -1.14 0.00 0.00 176.83 177.45 3mkq n PHE 720 N -4.26 0.08 -3.68 3.45 3.01 0.19 -4.96 117.46 111.29 3mkq n PHE 720 Ca -0.11 -0.04 -0.22 0.00 1.01 0.00 0.00 57.45 58.10 3mkq n PHE 720 Cb 0.66 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.17 3mkq n PHE 720 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3mkq n ASN 721 N 0.00 -1.68 -4.44 4.37 3.02 0.46 -4.92 115.26 112.08 3mkq n ASN 721 Ca 0.18 -0.83 -0.44 0.00 -0.03 0.00 0.00 54.58 53.46 3mkq n ASN 721 Cb 0.29 -4.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.36 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 -4.26 6.66 0.22 6.41 3.84 0.08 -4.91 114.94 122.98 3mkq s ASN 722 Ca 0.05 -2.16 -0.14 0.00 0.21 0.00 0.00 52.86 50.83 3mkq s ASN 722 Cb -0.01 -2.38 0.27 0.00 -0.55 0.00 0.00 41.25 38.58 3mkq s ASN 722 CO 0.81 -0.99 1.60 0.50 -2.79 0.00 0.00 177.10 176.23 3mkq h LYS 723 N 8.64 -0.03 -0.32 0.43 3.64 -1.91 0.16 116.57 127.18 3mkq h LYS 723 Ca 0.16 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3mkq h LYS 723 Cb 1.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 3mkq h LYS 723 CO 1.07 -0.02 -0.07 1.49 -2.27 0.00 0.00 179.45 179.65 3mkq h GLU 724 N -0.03 0.52 -0.16 1.90 4.81 -1.97 -1.59 114.58 118.05 3mkq h GLU 724 Ca 0.33 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3mkq h GLU 724 Cb 0.55 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3mkq h GLU 724 CO -0.76 0.60 -0.02 0.78 -0.73 0.00 0.00 179.01 178.88 3mkq h GLY 725 N 0.89 0.33 1.00 1.92 0.00 -1.21 -2.26 103.07 103.73 3mkq h GLY 725 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3mkq h GLY 725 CO 0.02 0.24 0.20 1.41 0.00 0.00 0.00 176.54 178.41 3mkq h LEU 726 N 0.03 0.35 -0.11 3.11 3.38 -0.53 -0.22 115.31 121.31 3mkq h LEU 726 Ca 0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3mkq h LEU 726 Cb 0.43 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3mkq h LEU 726 CO 0.01 0.25 0.03 0.58 0.09 0.00 0.00 178.44 179.41 3mkq h VAL 727 N 0.41 0.97 -0.50 1.22 2.07 -1.31 0.43 116.25 119.54 3mkq h VAL 727 Ca 0.11 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3mkq h VAL 727 Cb -0.05 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3mkq h VAL 727 CO -0.02 0.02 0.28 0.74 0.02 0.00 0.00 177.57 178.60 3mkq h THR 728 N 0.09 1.02 -0.95 2.57 2.02 -1.24 -1.08 112.91 115.34 3mkq h THR 728 Ca 0.05 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3mkq h THR 728 Cb 0.03 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 3mkq h THR 728 CO -0.05 0.10 0.61 0.25 0.37 0.00 0.00 175.52 176.80 3mkq h LEU 729 N 0.56 1.11 -0.47 2.58 6.46 -0.39 -1.29 115.31 123.86 3mkq h LEU 729 Ca 0.21 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 3mkq h LEU 729 Cb 0.06 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 3mkq h LEU 729 CO -0.11 0.82 0.17 0.00 -0.62 0.00 0.00 178.44 178.69 3mkq h ALA 730 N 1.38 0.62 -0.61 1.25 0.00 0.59 0.16 119.26 122.64 3mkq h ALA 730 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mkq h ALA 730 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3mkq h ALA 730 CO -0.07 0.25 0.29 0.87 0.00 0.00 0.00 179.25 180.59 3mkq h LYS 731 N 0.63 0.87 -0.27 0.00 1.57 -0.69 -0.24 116.57 118.43 3mkq h LYS 731 Ca 0.15 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 3mkq h LYS 731 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3mkq h LYS 731 CO -0.01 0.68 -0.50 -0.44 -0.57 0.00 0.00 179.45 178.61 3mkq h ASP 732 N 0.87 0.91 -0.61 0.86 3.32 -0.89 -1.89 116.42 118.99 3mkq h ASP 732 Ca 0.21 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 3mkq h ASP 732 Cb 0.10 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3mkq h ASP 732 CO -0.03 1.27 0.22 0.00 -1.72 0.00 0.00 179.24 178.99 3mkq h ALA 733 N 0.66 1.18 -0.75 3.45 0.00 -0.55 -1.57 119.26 121.69 3mkq h ALA 733 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3mkq h ALA 733 Cb 1.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3mkq h ALA 733 CO 0.11 0.58 0.29 0.93 0.00 0.00 0.00 179.25 181.16 3mkq h GLU 734 N 0.94 1.14 -0.19 0.00 5.08 -0.93 0.26 114.58 120.87 3mkq h GLU 734 Ca 0.21 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3mkq h GLU 734 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3mkq h GLU 734 CO -0.01 0.94 -0.22 1.15 -1.00 0.00 0.00 179.01 179.87 3mkq h THR 735 N 1.10 1.24 -0.60 1.13 2.02 -0.62 -2.94 112.91 114.23 3mkq h THR 735 Ca 0.25 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 3mkq h THR 735 Cb 0.23 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3mkq h THR 735 CO -0.02 0.34 0.05 0.35 0.37 0.00 0.00 175.52 176.62 3mkq n THR 736 N -4.17 2.80 -0.32 3.16 -2.24 -0.66 -4.95 114.28 107.90 3mkq n THR 736 Ca -0.00 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 3mkq n THR 736 Cb 0.35 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3mkq n THR 736 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mkq n GLY 737 N 0.42 2.04 3.47 3.38 0.00 -0.81 -4.94 105.19 108.74 3mkq n GLY 737 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 3.18 -0.03 1.61 4.01 0.87 -4.79 118.16 121.01 3mkq n LYS 738 Ca 0.00 -3.26 -0.10 0.00 -0.51 0.00 0.00 58.31 54.44 3mkq n LYS 738 Cb 0.00 -3.43 0.04 0.00 -0.51 0.00 0.00 35.03 31.13 3mkq n LYS 738 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 3mkq h PHE 739 N 7.34 0.82 0.00 2.13 0.05 -1.92 -1.93 116.94 123.43 3mkq h PHE 739 Ca 0.45 -0.27 -0.11 0.00 3.82 0.00 0.00 57.97 61.86 3mkq h PHE 739 Cb 0.84 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 3mkq h PHE 739 CO 1.40 1.03 -0.50 -0.97 -0.18 0.00 0.00 178.31 179.09 3mkq h ASN 740 N 0.52 0.00 -0.16 2.17 -0.00 -1.96 -1.16 115.58 114.99 3mkq h ASN 740 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.28 3mkq h ASN 740 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.37 3mkq h ASN 740 CO 0.10 0.50 -0.04 0.25 -0.00 0.00 0.00 177.43 178.24 3mkq h LEU 741 N 0.00 0.32 -0.91 0.34 6.46 -1.93 -1.96 115.31 117.62 3mkq h LEU 741 Ca -0.01 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.36 3mkq h LEU 741 Cb 0.90 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 3mkq h LEU 741 CO 0.07 0.62 0.43 0.00 -0.62 0.00 0.00 178.44 178.93 3mkq h ALA 742 N 0.71 1.16 0.09 1.25 0.00 -1.16 -0.88 119.26 120.42 3mkq h ALA 742 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mkq h ALA 742 Cb 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mkq h ALA 742 CO 0.02 0.65 -0.04 0.35 0.00 0.00 0.00 179.25 180.23 3mkq h PHE 743 N 1.20 -0.11 -0.48 0.00 3.57 -1.09 -0.02 116.94 120.02 3mkq h PHE 743 Ca 0.29 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3mkq h PHE 743 Cb 0.08 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3mkq h PHE 743 CO 0.01 0.03 0.31 -0.91 -2.23 0.00 0.00 178.31 175.52 3mkq h ASN 744 N -0.23 0.55 0.06 0.41 -0.26 -1.16 0.17 115.58 115.13 3mkq h ASN 744 Ca -0.01 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3mkq h ASN 744 Cb 0.19 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3mkq h ASN 744 CO 0.02 0.41 -0.03 0.00 -1.06 0.00 0.00 177.43 176.77 3mkq h ALA 745 N 1.69 -0.08 0.12 -0.83 0.00 -0.84 -2.11 119.26 117.21 3mkq h ALA 745 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mkq h ALA 745 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mkq h ALA 745 CO -0.04 -0.37 -0.18 1.88 0.00 0.00 0.00 179.25 180.55 3mkq h TYR 746 N -0.44 -0.47 -0.77 0.00 0.05 -0.49 -2.35 116.97 112.50 3mkq h TYR 746 Ca -0.01 0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.96 3mkq h TYR 746 Cb 0.39 0.19 -0.12 0.00 1.01 0.00 0.00 36.73 38.20 3mkq h TYR 746 CO 0.04 -0.27 0.15 2.35 -1.05 0.00 0.00 178.16 179.38 3mkq h TRP 747 N -0.36 0.21 -0.00 4.88 2.91 -0.64 -0.63 115.95 122.31 3mkq h TRP 747 Ca 0.02 0.05 -0.15 0.00 1.13 0.00 0.00 58.89 59.94 3mkq h TRP 747 Cb 0.37 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 3mkq h TRP 747 CO -0.17 -0.15 -0.71 0.82 -1.03 0.00 0.00 178.44 177.20 3mkq h ILE 748 N 0.21 1.50 0.00 2.65 2.04 -1.23 -2.68 117.51 120.01 3mkq h ILE 748 Ca 0.45 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.91 3mkq h ILE 748 Cb 0.80 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3mkq h ILE 748 CO -0.58 0.69 0.00 0.00 0.00 0.00 0.00 178.15 178.25 3mkq h ALA 749 N 1.27 1.00 0.00 1.87 0.00 -0.61 -3.46 119.26 119.33 3mkq h ALA 749 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mkq h ALA 749 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mkq h ALA 749 CO 0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3mkq n GLY 750 N 0.24 0.75 2.71 0.00 0.00 -0.58 -4.91 105.19 103.39 3mkq n GLY 750 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.36 0.32 1.61 -0.08 -0.86 -4.67 116.55 117.23 3mkq n ASP 751 Ca 0.00 -2.79 0.21 0.00 -1.51 0.00 0.00 54.79 50.70 3mkq n ASP 751 Cb 0.00 -1.59 1.08 0.00 2.34 0.00 0.00 41.12 42.95 3mkq n ASP 751 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3mkq h ILE 752 N 3.91 0.07 -0.20 5.18 2.10 -1.90 -1.66 117.51 125.01 3mkq h ILE 752 Ca 0.59 -0.13 -0.12 0.00 1.08 0.00 0.00 64.86 66.29 3mkq h ILE 752 Cb 0.59 1.11 -0.00 0.00 -1.09 0.00 0.00 36.82 37.44 3mkq h ILE 752 CO 1.88 0.01 -0.34 -0.61 -1.08 0.00 0.00 178.15 178.01 3mkq h GLN 753 N 0.00 0.58 -0.15 2.19 5.75 -1.96 -0.86 115.11 120.65 3mkq h GLN 753 Ca -0.00 -0.36 -0.16 0.00 -0.15 0.00 0.00 58.65 57.98 3mkq h GLN 753 Cb 0.11 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3mkq h GLN 753 CO 0.00 0.97 -0.58 0.78 -2.65 0.00 0.00 178.83 177.35 3mkq h GLY 754 N 0.25 0.52 0.92 2.39 0.00 -1.72 -1.86 103.07 103.57 3mkq h GLY 754 Ca 0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3mkq h GLY 754 CO 0.08 0.56 0.09 0.00 0.00 0.00 0.00 176.54 177.27 3mkq h ALA 755 N 1.01 0.47 0.14 3.60 0.00 -1.38 -0.56 119.26 122.55 3mkq h ALA 755 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3mkq h ALA 755 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3mkq h ALA 755 CO 0.10 0.14 -0.07 -0.22 0.00 0.00 0.00 179.25 179.21 3mkq h LYS 756 N 0.43 -0.18 -0.26 0.00 3.64 -1.06 -1.42 116.57 117.72 3mkq h LYS 756 Ca 0.11 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3mkq h LYS 756 Cb 0.30 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3mkq h LYS 756 CO 0.00 -0.03 0.18 -0.44 -2.27 0.00 0.00 179.45 176.89 3mkq h ASP 757 N -0.29 0.17 -0.31 4.20 3.32 -1.27 0.26 116.42 122.50 3mkq h ASP 757 Ca -0.02 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3mkq h ASP 757 Cb 0.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3mkq h ASP 757 CO 0.03 0.12 -0.34 0.25 -1.72 0.00 0.00 179.24 177.58 3mkq h LEU 758 N 0.19 0.89 -0.95 1.55 5.85 -0.63 0.25 115.31 122.47 3mkq h LEU 758 Ca 0.11 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 3mkq h LEU 758 Cb 0.21 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3mkq h LEU 758 CO -0.02 1.15 -0.13 -0.07 -0.34 0.00 0.00 178.44 179.03 3mkq h LEU 759 N 0.71 0.61 -0.32 2.25 3.38 0.07 -2.93 115.31 119.07 3mkq h LEU 759 Ca 0.07 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3mkq h LEU 759 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3mkq h LEU 759 CO 0.08 0.77 -0.20 0.40 0.09 0.00 0.00 178.44 179.57 3mkq h ILE 760 N 0.57 1.29 -0.14 1.22 2.04 -0.82 -0.26 117.51 121.41 3mkq h ILE 760 Ca 0.10 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.67 3mkq h ILE 760 Cb 0.55 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3mkq h ILE 760 CO 0.03 0.43 0.18 0.11 0.00 0.00 0.00 178.15 178.91 3mkq h LYS 761 N 0.48 0.00 -0.71 2.37 1.57 -0.82 -1.06 116.57 118.40 3mkq h LYS 761 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3mkq h LYS 761 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3mkq h LYS 761 CO 0.06 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.37 3mkq n SER 762 N -3.67 4.00 -1.21 0.86 7.64 -1.02 -4.93 113.62 115.28 3mkq n SER 762 Ca 0.01 -2.08 -0.14 0.00 1.01 0.00 0.00 58.87 57.67 3mkq n SER 762 Cb 0.29 -0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 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 1.52 -1.00 -1.96 1.43 3.00 -0.40 -4.90 117.38 115.06 3mkq n GLN 763 Ca 0.24 0.89 -0.38 0.00 -0.01 0.00 0.00 57.00 57.74 3mkq n GLN 763 Cb 0.65 -5.03 0.02 0.00 0.00 0.00 0.00 30.24 25.88 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 -2.52 3.15 -0.19 -1.09 1.74 -0.14 -4.79 116.66 112.83 3mkq n ARG 764 Ca -0.15 -3.51 -0.05 0.00 -0.77 0.00 0.00 57.85 53.38 3mkq n ARG 764 Cb 0.50 -2.29 0.05 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 3.23 0.62 -0.76 -1.55 -1.00 -1.88 -2.34 116.94 113.26 3mkq h PHE 765 Ca 0.54 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.35 3mkq h PHE 765 Cb 0.18 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 3mkq h PHE 765 CO 1.26 0.35 0.50 0.66 -1.61 0.00 0.00 178.31 179.47 3mkq h SER 766 N 0.66 0.87 0.86 2.17 4.64 -1.94 0.16 113.55 120.97 3mkq h SER 766 Ca 0.22 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.40 3mkq h SER 766 Cb 0.03 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3mkq h SER 766 CO -0.10 0.63 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.59 3mkq h GLU 767 N 1.03 0.00 -0.01 4.77 5.08 -1.92 -1.89 114.58 121.64 3mkq h GLU 767 Ca 0.28 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3mkq h GLU 767 Cb -0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3mkq h GLU 767 CO -0.06 0.58 -0.57 0.00 -1.00 0.00 0.00 179.01 177.96 3mkq h ALA 768 N 1.42 1.04 -0.20 3.43 0.00 -0.71 -1.92 119.26 122.32 3mkq h ALA 768 Ca -0.01 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 3mkq h ALA 768 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3mkq h ALA 768 CO 0.07 0.71 -0.44 0.00 0.00 0.00 0.00 179.25 179.59 3mkq h ALA 769 N 1.40 0.33 0.23 0.00 0.00 -0.57 -1.71 119.26 118.94 3mkq h ALA 769 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3mkq h ALA 769 Cb 1.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3mkq h ALA 769 CO 0.08 0.46 -0.23 0.74 0.00 0.00 0.00 179.25 180.29 3mkq h PHE 770 N 0.35 -0.61 -0.21 0.00 0.05 -1.19 -0.66 116.94 114.68 3mkq h PHE 770 Ca 0.00 0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.83 3mkq h PHE 770 Cb 1.05 0.24 -0.06 0.00 2.00 0.00 0.00 35.95 39.18 3mkq h PHE 770 CO 0.09 -0.34 -0.43 1.25 -0.18 0.00 0.00 178.31 178.69 3mkq h LEU 771 N -0.50 -1.41 -1.04 1.54 6.46 -1.35 0.29 115.31 119.30 3mkq h LEU 771 Ca -0.00 0.18 0.24 0.00 -0.12 0.00 0.00 57.88 58.17 3mkq h LEU 771 Cb 0.46 0.56 -0.12 0.00 -0.73 0.00 0.00 40.66 40.83 3mkq h LEU 771 CO -0.05 -0.35 0.60 1.23 -0.62 0.00 0.00 178.44 179.25 3mkq h GLY 772 N -0.39 1.84 1.35 3.75 0.00 -1.09 -0.15 103.07 108.39 3mkq h GLY 772 Ca 0.04 -0.31 -0.32 0.00 0.00 0.00 0.00 47.33 46.75 3mkq h GLY 772 CO -0.40 -0.22 -1.43 1.48 0.00 0.00 0.00 176.54 175.97 3mkq h SER 773 N 0.58 0.67 -0.66 0.19 4.64 -0.11 1.00 113.55 119.86 3mkq h SER 773 Ca 0.64 -0.74 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3mkq h SER 773 Cb 1.22 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 3mkq h SER 773 CO -0.45 1.59 0.22 0.74 -0.87 0.00 0.00 176.83 178.06 3mkq h THR 774 N 0.12 1.25 -0.73 2.95 2.02 0.51 -2.77 112.91 116.25 3mkq h THR 774 Ca -0.22 -0.83 -0.25 0.00 0.77 0.00 0.00 66.41 65.87 3mkq h THR 774 Cb 2.10 0.54 -0.15 0.00 -1.74 0.00 0.00 68.15 68.90 3mkq h THR 774 CO 0.24 0.32 0.32 -1.22 0.37 0.00 0.00 175.52 175.55 3mkq n TYR 775 N -4.36 2.40 -4.00 3.16 4.01 -0.16 -4.97 117.16 113.24 3mkq n TYR 775 Ca 0.05 -1.23 -0.42 0.00 -0.16 0.00 0.00 57.90 56.13 3mkq n TYR 775 Cb 0.21 -0.70 0.02 0.00 -0.31 0.00 0.00 39.34 38.56 3mkq n TYR 775 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mkq n GLY 776 N -0.25 -0.92 0.00 2.72 0.00 -1.05 -4.85 105.19 100.84 3mkq n GLY 776 Ca 0.41 0.39 0.14 0.00 0.00 0.00 0.00 46.02 46.96 3mkq n GLY 776 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mkq n LEU 777 N -4.63 0.00 0.00 0.99 4.77 0.33 -5.00 117.00 113.46 3mkq n LEU 777 Ca -0.14 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3mkq n LEU 777 Cb 0.58 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3mkq n LEU 777 CO 0.72 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3mkq n GLY 778 N 0.99 0.70 0.37 -0.72 0.00 -1.26 -4.39 105.19 100.88 3mkq n GLY 778 Ca 0.18 -1.61 0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 0.62 0.51 1.61 3.32 -1.96 -2.24 116.42 118.27 3mkq h ASP 779 Ca 0.00 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3mkq h ASP 779 Cb 0.00 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.55 3mkq h ASP 779 CO 0.00 0.16 -0.25 0.78 -1.72 0.00 0.00 179.24 178.21 3mkq h ASN 780 N 0.57 -0.58 -0.31 6.45 4.21 -1.99 -0.89 115.58 123.04 3mkq h ASN 780 Ca 0.59 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 58.07 3mkq h ASN 780 Cb 1.20 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.54 3mkq h ASN 780 CO -0.37 -0.35 0.17 -0.33 -1.29 0.00 0.00 177.43 175.27 3mkq h GLU 781 N -0.79 0.43 -0.79 0.81 5.08 -1.67 -0.44 114.58 117.20 3mkq h GLU 781 Ca -0.07 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3mkq h GLU 781 Cb 0.57 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3mkq h GLU 781 CO 0.12 0.37 0.50 0.28 -1.00 0.00 0.00 179.01 179.27 3mkq h VAL 782 N 0.38 1.11 0.00 3.13 2.07 -1.44 0.43 116.25 121.93 3mkq h VAL 782 Ca 0.11 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3mkq h VAL 782 Cb 0.06 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3mkq h VAL 782 CO -0.02 0.18 -0.29 0.78 0.02 0.00 0.00 177.57 178.24 3mkq h ASN 783 N 0.98 0.00 -0.11 0.57 -0.26 -0.86 0.16 115.58 116.07 3mkq h ASN 783 Ca 0.32 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.85 3mkq h ASN 783 Cb 0.02 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.29 3mkq h ASN 783 CO -0.12 0.29 -0.74 -0.78 -1.06 0.00 0.00 177.43 175.02 3mkq h ASP 784 N 0.00 0.83 -0.39 5.81 3.58 0.79 -2.11 116.42 124.93 3mkq h ASP 784 Ca -0.00 -0.66 -0.04 0.00 0.42 0.00 0.00 57.03 56.75 3mkq h ASP 784 Cb 0.55 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3mkq h ASP 784 CO 0.04 1.36 0.10 0.40 -2.88 0.00 0.00 179.24 178.26 3mkq h ILE 785 N 0.37 1.23 -0.39 2.25 2.04 0.27 -1.84 117.51 121.43 3mkq h ILE 785 Ca -0.06 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3mkq h ILE 785 Cb 1.38 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3mkq h ILE 785 CO 0.15 0.27 0.18 0.58 0.00 0.00 0.00 178.15 179.33 3mkq h VAL 786 N 0.49 1.14 -0.15 1.67 2.07 -0.69 -0.28 116.25 120.50 3mkq h VAL 786 Ca 0.12 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3mkq h VAL 786 Cb 0.30 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3mkq h VAL 786 CO 0.00 0.16 -0.03 0.74 0.02 0.00 0.00 177.57 178.46 3mkq h THR 787 N 0.55 1.29 -0.99 2.57 2.02 -1.06 0.75 112.91 118.03 3mkq h THR 787 Ca 0.14 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.38 3mkq h THR 787 Cb 0.07 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3mkq h THR 787 CO -0.02 0.29 0.65 0.11 0.37 0.00 0.00 175.52 176.92 3mkq h LYS 788 N -0.02 1.20 -0.25 6.66 1.57 -0.80 0.23 116.57 125.16 3mkq h LYS 788 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3mkq h LYS 788 Cb 0.46 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3mkq h LYS 788 CO 0.01 0.79 0.11 2.35 -0.57 0.00 0.00 179.45 182.15 3mkq h TRP 789 N 1.24 0.37 -0.26 -1.35 7.01 -0.83 0.59 115.95 122.72 3mkq h TRP 789 Ca 0.40 -0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.24 3mkq h TRP 789 Cb 0.04 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 3mkq h TRP 789 CO -0.00 0.37 -0.42 0.87 -2.79 0.00 0.00 178.44 176.46 3mkq h LYS 790 N 0.27 0.63 -0.42 2.65 1.57 -0.28 -1.41 116.57 119.58 3mkq h LYS 790 Ca 0.09 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 3mkq h LYS 790 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3mkq h LYS 790 CO -0.01 0.94 -0.29 1.49 -0.57 0.00 0.00 179.45 181.00 3mkq h GLU 791 N 0.51 0.93 -0.26 3.15 4.57 -0.37 -2.82 114.58 120.29 3mkq h GLU 791 Ca 0.04 -0.43 -0.14 0.00 -1.18 0.00 0.00 59.36 57.64 3mkq h GLU 791 Cb 0.95 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3mkq h GLU 791 CO 0.09 1.09 -0.43 -0.97 -1.18 0.00 0.00 179.01 177.61 3mkq h ASN 792 N 0.78 0.69 -0.95 1.04 -1.24 -0.75 -2.65 115.58 112.50 3mkq h ASN 792 Ca 0.09 -0.32 0.08 0.00 0.71 0.00 0.00 56.30 56.85 3mkq h ASN 792 Cb 0.87 -0.20 -0.07 0.00 0.73 0.00 0.00 38.32 39.65 3mkq h ASN 792 CO 0.08 1.03 0.60 -0.07 -1.29 0.00 0.00 177.43 177.78 3mkq h LEU 793 N 0.53 0.93 -0.68 0.34 4.07 -1.14 -0.30 115.31 119.06 3mkq h LEU 793 Ca 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3mkq h LEU 793 Cb 0.96 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 3mkq h LEU 793 CO 0.09 0.57 0.25 0.40 -1.08 0.00 0.00 178.44 178.67 3mkq h ILE 794 N 1.05 1.25 0.00 1.22 2.04 -1.23 -1.05 117.51 120.78 3mkq h ILE 794 Ca 0.43 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3mkq h ILE 794 Cb 0.26 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3mkq h ILE 794 CO -0.20 0.31 0.00 0.18 0.00 0.00 0.00 178.15 178.44 3mkq n LEU 795 N -4.37 0.00 -0.42 1.44 4.32 -0.16 -0.85 117.00 116.96 3mkq n LEU 795 Ca 0.05 0.07 0.07 0.00 -0.02 0.00 0.00 56.01 56.18 3mkq n LEU 795 Cb 0.19 -0.07 0.16 0.00 -1.62 0.00 0.00 43.42 42.08 3mkq n LEU 795 CO 0.40 -0.05 0.43 0.59 -1.22 0.00 0.00 177.39 177.54 3mkq n ASN 796 N -1.07 1.86 -3.82 -1.43 3.02 -0.49 -4.99 115.26 108.33 3mkq n ASN 796 Ca 0.07 -3.36 -0.25 0.00 -0.03 0.00 0.00 54.58 51.01 3mkq n ASN 796 Cb 0.05 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.78 3mkq n ASN 796 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mkq n GLY 797 N -1.11 -0.35 2.54 7.41 0.00 -0.03 -4.92 105.19 108.73 3mkq n GLY 797 Ca 0.16 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.43 1.90 0.27 1.61 5.02 -0.64 -4.88 118.16 117.01 3mkq n LYS 798 Ca -0.18 -3.80 0.11 0.00 -2.02 0.00 0.00 58.31 52.42 3mkq n LYS 798 Cb 0.63 -1.73 0.74 0.00 -0.02 0.00 0.00 35.03 34.64 3mkq n LYS 798 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3mkq h ASN 799 N 2.91 0.00 0.90 4.39 -0.73 -1.87 -1.93 115.58 119.25 3mkq h ASN 799 Ca 0.07 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 3mkq h ASN 799 Cb 0.96 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.56 3mkq h ASN 799 CO 0.62 0.03 -0.43 0.71 -0.37 0.00 0.00 177.43 177.99 3mkq h THR 800 N 0.00 0.11 -0.70 -3.57 1.35 -1.95 -2.23 112.91 105.92 3mkq h THR 800 Ca -0.00 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 3mkq h THR 800 Cb 0.07 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 66.57 3mkq h THR 800 CO 0.00 0.00 0.26 -0.37 -0.25 0.00 0.00 175.52 175.17 3mkq h VAL 801 N -1.22 1.24 -0.98 6.82 -1.51 -1.95 -2.95 116.25 115.71 3mkq h VAL 801 Ca -0.12 -0.78 0.27 0.00 -1.23 0.00 0.00 66.70 64.83 3mkq h VAL 801 Cb 0.92 0.43 -0.13 0.00 -2.13 0.00 0.00 31.29 30.38 3mkq h VAL 801 CO 0.20 0.31 0.53 -1.28 -1.23 0.00 0.00 177.57 176.11 3mkq h SER 802 N 1.01 0.53 0.36 4.19 0.87 -1.10 0.17 113.55 119.58 3mkq h SER 802 Ca 0.23 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3mkq h SER 802 Cb 0.22 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3mkq h SER 802 CO -0.02 -0.01 -0.24 -0.62 -0.53 0.00 0.00 176.83 175.42 3mkq n GLU 803 N -4.99 0.61 0.02 2.24 1.02 -0.86 -3.97 120.64 114.71 3mkq n GLU 803 Ca 0.27 -0.30 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3mkq n GLU 803 Cb 0.81 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.59 3mkq n GLU 803 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mkq h ARG 804 N 0.74 0.19 -6.55 3.49 2.47 -0.68 -3.47 114.38 110.57 3mkq h ARG 804 Ca 0.00 -0.32 -0.53 0.00 -1.26 0.00 0.00 59.98 57.87 3mkq h ARG 804 Cb 0.46 0.12 0.03 0.00 -1.65 0.00 0.00 29.97 28.93 3mkq h ARG 804 CO 0.00 0.98 0.88 0.54 0.56 0.00 0.00 179.97 182.93 3mkq s VAL 805 N -2.60 2.87 0.42 2.04 0.11 -1.07 -5.01 120.40 117.16 3mkq s VAL 805 Ca -0.12 0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 59.44 3mkq s VAL 805 Cb 0.07 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 3mkq s VAL 805 CO 0.82 0.03 0.71 0.00 -3.33 0.00 0.00 175.10 173.33 3mkq n GLY 807 N -1.82 -0.32 0.57 0.00 0.00 -1.26 -4.84 105.19 97.51 3mkq n GLY 807 Ca -0.00 -1.88 0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.15 3.22 0.00 4.61 0.00 -1.84 0.34 119.26 124.44 3mkq h ALA 808 Ca -0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3mkq h ALA 808 Cb 1.13 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mkq h ALA 808 CO 0.31 -1.68 -0.03 1.05 0.00 0.00 0.00 179.25 178.90 3mkq h GLU 809 N 0.05 0.00 0.00 0.00 -0.00 -1.94 -2.00 114.58 110.70 3mkq h GLU 809 Ca 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 60.09 3mkq h GLU 809 Cb 2.72 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 31.47 3mkq h GLU 809 CO -0.10 0.03 0.00 0.41 -0.00 0.00 0.00 179.01 179.35 3mkq n GLY 810 N -1.37 -0.60 3.22 1.06 0.00 0.12 -4.70 105.19 102.93 3mkq n GLY 810 Ca -0.03 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.72 2.36 0.00 0.99 1.43 -0.75 -5.05 118.68 115.94 3mkq s LEU 811 Ca 0.21 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3mkq s LEU 811 Cb 0.09 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.75 3mkq s LEU 811 CO 0.16 -0.11 0.35 -0.81 0.23 0.00 0.00 176.35 176.17