#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkw s MET 2 N 0.00 4.74 0.23 -1.46 1.00 -1.26 -1.53 119.30 121.01 3hkw s MET 2 Ca 0.00 1.46 -0.07 0.00 0.00 0.00 0.00 55.69 57.08 3hkw s MET 2 Cb 0.00 -3.35 0.30 0.00 0.00 0.00 0.00 34.83 31.78 3hkw s MET 2 CO 0.00 0.29 1.84 0.66 0.00 0.00 0.00 175.02 177.81 3hkw h SER 3 N 5.24 0.76 -4.88 3.03 4.64 -1.45 -3.40 113.55 117.49 3hkw h SER 3 Ca -0.43 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 60.69 3hkw h SER 3 Cb 1.21 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 62.96 3hkw h SER 3 CO 0.71 0.49 -0.71 -0.31 -0.87 0.00 0.00 176.83 176.13 3hkw s TYR 4 N -6.07 0.51 0.13 4.77 2.02 -1.26 -0.63 117.35 116.81 3hkw s TYR 4 Ca -0.13 -0.58 0.11 0.00 -0.37 0.00 0.00 57.07 56.10 3hkw s TYR 4 Cb 0.18 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 3hkw s TYR 4 CO 0.78 -0.15 -0.27 -1.54 -1.57 0.00 0.00 175.55 172.80 3hkw s SER 5 N -1.73 3.28 0.04 2.29 1.04 -0.13 -4.83 113.70 113.67 3hkw s SER 5 Ca -0.10 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.65 3hkw s SER 5 Cb -0.08 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 3hkw s SER 5 CO -0.01 0.17 -0.18 0.26 0.98 0.00 0.00 173.24 174.46 3hkw s TRP 6 N -1.07 1.58 -0.20 5.02 0.52 -1.26 -0.77 118.94 122.76 3hkw s TRP 6 Ca 0.14 -0.36 0.20 0.00 0.02 0.00 0.00 56.10 56.10 3hkw s TRP 6 Cb -0.10 -0.94 -0.03 0.00 -1.15 0.00 0.00 33.47 31.25 3hkw s TRP 6 CO 0.06 0.07 1.01 1.79 0.02 0.00 0.00 176.95 179.90 3hkw h THR 7 N 4.41 0.19 0.00 2.01 1.35 -1.42 -3.47 112.91 115.98 3hkw h THR 7 Ca -0.41 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3hkw h THR 7 Cb 1.17 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3hkw h THR 7 CO 0.44 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3hkw n GLY 8 N 1.25 2.07 3.76 5.82 0.00 -1.26 -5.06 105.19 111.76 3hkw n GLY 8 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3hkw n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw s ALA 9 N -2.24 2.55 0.37 4.61 0.00 -1.26 -5.00 121.76 120.78 3hkw s ALA 9 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 3hkw s ALA 9 Cb 0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3hkw s ALA 9 CO 0.00 -1.13 0.75 -0.51 0.00 0.00 0.00 175.76 174.86 3hkw s LEU 10 N -4.10 3.93 -0.16 0.00 1.02 -1.26 -4.86 118.68 113.25 3hkw s LEU 10 Ca 0.76 1.18 -0.29 0.00 0.02 0.00 0.00 54.13 55.80 3hkw s LEU 10 Cb -0.29 -4.02 -0.01 0.00 0.02 0.00 0.00 46.19 41.89 3hkw s LEU 10 CO 0.33 -0.31 1.17 -0.69 0.02 0.00 0.00 176.35 176.87 3hkw s VAL 11 N -2.20 4.42 0.15 -1.59 1.01 -1.26 -4.81 120.40 116.12 3hkw s VAL 11 Ca 0.52 1.72 0.07 0.00 0.00 0.00 0.00 61.98 64.29 3hkw s VAL 11 Cb -0.10 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3hkw s VAL 11 CO 0.25 -0.12 -0.04 0.42 0.00 0.00 0.00 175.10 175.61 3hkw s THR 12 N 3.13 3.58 0.66 3.92 -4.23 -1.26 -4.84 115.64 116.60 3hkw s THR 12 Ca 0.51 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 3hkw s THR 12 Cb -0.20 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3hkw s THR 12 CO 0.13 -0.03 1.05 -2.16 -0.54 0.00 0.00 174.62 173.08 3hkw s PRO 13 N -2.67 3.26 0.00 3.99 0.04 -1.26 -4.35 135.00 134.01 3hkw s PRO 13 Ca 0.25 0.77 0.14 0.00 0.04 0.00 0.00 61.00 62.20 3hkw s PRO 13 Cb -0.10 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3hkw s PRO 13 CO 0.17 -0.82 0.68 0.00 0.04 0.00 0.00 177.00 177.07 3hkw s ALA 15 N -2.02 -0.17 0.49 0.00 0.00 -1.26 -5.14 121.76 113.66 3hkw s ALA 15 Ca 0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 3hkw s ALA 15 Cb 0.11 0.93 -0.08 0.00 0.00 0.00 0.00 23.12 24.08 3hkw s ALA 15 CO 0.46 -0.90 1.11 0.00 0.00 0.00 0.00 175.76 176.43 3hkw n ALA 16 N -0.51 0.65 -3.93 0.00 0.00 -1.26 -4.99 120.51 110.47 3hkw n ALA 16 Ca -0.03 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3hkw n ALA 16 Cb 0.61 -2.17 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 3hkw n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hkw s GLU 17 N -2.40 1.61 -0.16 0.00 2.02 -1.26 -5.11 118.70 113.40 3hkw s GLU 17 Ca 0.68 -0.84 -0.18 0.00 0.02 0.00 0.00 54.97 54.64 3hkw s GLU 17 Cb -0.48 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 3hkw s GLU 17 CO 0.53 -0.54 0.50 -2.00 0.02 0.00 0.00 175.26 173.77 3hkw s GLU 18 N 1.47 4.26 -0.08 1.61 2.12 -1.26 -4.96 118.70 121.85 3hkw s GLU 18 Ca -0.03 0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.76 3hkw s GLU 18 Cb -0.18 -3.50 -0.25 0.00 0.26 0.00 0.00 34.13 30.47 3hkw s GLU 18 CO -0.07 -0.00 0.50 1.04 -0.54 0.00 0.00 175.26 176.19 3hkw n GLN 19 N 4.25 0.70 -4.02 4.30 6.02 -1.26 -4.48 117.38 122.89 3hkw n GLN 19 Ca -0.06 0.27 -0.36 0.00 -0.01 0.00 0.00 57.00 56.85 3hkw n GLN 19 Cb 0.51 -1.75 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 3hkw n GLN 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hkw s LYS 20 N -2.58 3.30 -0.07 -1.09 1.02 -1.26 -1.19 119.74 117.87 3hkw s LYS 20 Ca -0.14 -0.25 -0.32 0.00 0.02 0.00 0.00 55.97 55.28 3hkw s LYS 20 Cb 0.07 -3.06 -0.10 0.00 -0.52 0.00 0.00 37.83 34.22 3hkw s LYS 20 CO 0.80 0.74 1.96 -0.11 -0.92 0.00 0.00 175.35 177.81 3hkw n LEU 21 N 1.85 3.62 -4.73 3.17 7.94 -1.17 -4.92 117.00 122.75 3hkw n LEU 21 Ca -0.18 0.86 -0.38 0.00 -1.11 0.00 0.00 56.01 55.20 3hkw n LEU 21 Cb 0.54 -1.43 0.05 0.00 0.53 0.00 0.00 43.42 43.11 3hkw n LEU 21 CO 0.32 -0.05 0.93 -2.65 -1.11 0.00 0.00 177.39 174.84 3hkw n PRO 22 N 7.19 1.45 -3.03 1.96 -0.02 -1.26 -4.94 135.00 136.36 3hkw n PRO 22 Ca 0.23 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 3hkw n PRO 22 Cb 0.34 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 3hkw n PRO 22 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 23 N -1.33 5.02 -0.19 4.25 1.01 -1.26 -4.93 121.20 123.77 3hkw s ILE 23 Ca 0.76 1.44 -0.14 0.00 0.00 0.00 0.00 60.65 62.70 3hkw s ILE 23 Cb -0.40 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.08 3hkw s ILE 23 CO 0.46 0.21 0.49 0.21 0.00 0.00 0.00 174.94 176.31 3hkw s ASN 24 N 0.89 -0.57 0.22 3.58 2.47 -1.26 -5.06 114.94 115.21 3hkw s ASN 24 Ca 0.37 1.03 -0.07 0.00 0.42 0.00 0.00 52.86 54.60 3hkw s ASN 24 Cb -0.17 0.98 0.19 0.00 -1.45 0.00 0.00 41.25 40.79 3hkw s ASN 24 CO 0.16 -0.19 1.83 0.00 -3.72 0.00 0.00 177.10 175.18 3hkw h ALA 25 N 6.15 1.11 -0.52 1.71 0.00 -1.98 0.61 119.26 126.35 3hkw h ALA 25 Ca -0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3hkw h ALA 25 Cb 1.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hkw h ALA 25 CO 0.22 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 180.06 3hkw h LEU 26 N 1.23 0.90 -0.14 0.00 3.38 -1.97 -1.47 115.31 117.22 3hkw h LEU 26 Ca 0.30 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hkw h LEU 26 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hkw h LEU 26 CO -0.04 0.99 0.08 -1.28 0.09 0.00 0.00 178.44 178.28 3hkw h SER 27 N 0.78 0.17 -0.05 -0.43 0.87 -1.77 -2.76 113.55 110.37 3hkw h SER 27 Ca 0.15 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3hkw h SER 27 Cb 0.53 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3hkw h SER 27 CO 0.03 0.18 0.04 -1.13 -0.53 0.00 0.00 176.83 175.42 3hkw h ASN 28 N 0.15 0.00 0.50 6.23 -1.24 -0.72 0.62 115.58 121.11 3hkw h ASN 28 Ca 0.05 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.00 3hkw h ASN 28 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3hkw h ASN 28 CO -0.01 0.00 -0.28 0.77 -1.29 0.00 0.00 177.43 176.62 3hkw h SER 29 N 0.00 0.00 0.05 1.15 4.64 -0.96 -2.98 113.55 115.44 3hkw h SER 29 Ca 0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 3hkw h SER 29 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3hkw h SER 29 CO -0.00 0.28 -0.36 0.25 -0.87 0.00 0.00 176.83 176.13 3hkw h LEU 30 N 0.00 0.24 -7.17 5.97 5.85 -0.90 -3.43 115.31 115.87 3hkw h LEU 30 Ca -0.00 -0.92 -0.22 0.00 0.84 0.00 0.00 57.88 57.58 3hkw h LEU 30 Cb 0.61 -0.08 -0.32 0.00 0.37 0.00 0.00 40.66 41.24 3hkw h LEU 30 CO 0.04 1.13 -0.53 -0.22 -0.34 0.00 0.00 178.44 178.52 3hkw s LEU 31 N -8.19 -0.31 -0.00 2.25 0.20 -0.74 -4.19 118.68 107.70 3hkw s LEU 31 Ca -0.16 0.56 0.18 0.00 0.69 0.00 0.00 54.13 55.41 3hkw s LEU 31 Cb -0.00 0.71 -0.19 0.00 -0.43 0.00 0.00 46.19 46.28 3hkw s LEU 31 CO 0.76 -0.24 0.61 0.54 -0.29 0.00 0.00 176.35 177.73 3hkw n ARG 32 N 5.35 0.64 -1.57 1.98 1.74 0.30 -4.10 116.66 121.00 3hkw n ARG 32 Ca -0.06 0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 3hkw n ARG 32 Cb 0.50 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 3hkw n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hkw n HIS 33 N -2.72 2.89 0.26 -1.55 8.25 -0.56 -4.72 115.22 117.07 3hkw n HIS 33 Ca -0.13 -3.02 0.10 0.00 -0.26 0.00 0.00 57.72 54.41 3hkw n HIS 33 Cb 0.83 -2.46 0.67 0.00 1.12 0.00 0.00 29.99 30.16 3hkw n HIS 33 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3hkw h HIS 34 N 5.40 0.00 0.00 4.41 2.07 -1.85 -1.38 115.15 123.80 3hkw h HIS 34 Ca 0.72 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.24 3hkw h HIS 34 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 3hkw h HIS 34 CO 1.67 0.10 0.00 0.09 -3.07 0.00 0.00 177.93 176.72 3hkw n ASN 35 N -4.10 0.01 0.21 3.10 5.03 -1.26 -1.77 115.26 116.48 3hkw n ASN 35 Ca -0.03 0.50 0.12 0.00 0.87 0.00 0.00 54.58 56.05 3hkw n ASN 35 Cb 0.18 -0.50 0.19 0.00 -1.02 0.00 0.00 39.78 38.63 3hkw n ASN 35 CO 0.00 0.00 0.00 0.24 -1.83 0.00 0.00 177.26 175.67 3hkw h MET 36 N 0.00 0.00 -5.27 3.52 2.86 -1.65 -3.46 114.93 110.93 3hkw h MET 36 Ca 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 3hkw h MET 36 Cb 0.29 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.77 3hkw h MET 36 CO 0.00 0.00 -0.60 0.08 1.06 0.00 0.00 176.91 177.45 3hkw s VAL 37 N -3.20 4.50 0.07 -2.22 1.01 -0.73 -0.31 120.40 119.52 3hkw s VAL 37 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 3hkw s VAL 37 Cb 0.06 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3hkw s VAL 37 CO 0.66 0.46 -0.03 -0.72 0.00 0.00 0.00 175.10 175.48 3hkw s TYR 38 N 0.42 0.66 -0.09 5.22 1.13 -0.42 -3.06 117.35 121.20 3hkw s TYR 38 Ca 0.01 -1.05 -0.01 0.00 -1.41 0.00 0.00 57.07 54.61 3hkw s TYR 38 Cb -0.13 -0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 40.27 3hkw s TYR 38 CO 0.01 -0.34 -0.05 0.45 -2.51 0.00 0.00 175.55 173.11 3hkw s SER 39 N -2.97 4.75 0.65 -0.18 0.15 -0.33 -1.09 113.70 114.67 3hkw s SER 39 Ca 0.10 -0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.55 3hkw s SER 39 Cb 0.07 -1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 63.00 3hkw s SER 39 CO -0.07 0.31 1.19 0.42 1.20 0.00 0.00 173.24 176.28 3hkw s THR 40 N -0.49 2.67 0.27 6.45 -4.23 -0.11 -4.66 115.64 115.53 3hkw s THR 40 Ca 0.08 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 3hkw s THR 40 Cb -0.12 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3hkw s THR 40 CO 0.02 -0.14 0.30 0.42 -0.54 0.00 0.00 174.62 174.68 3hkw s THR 41 N -1.86 0.00 0.28 3.99 -4.23 -1.26 -3.97 115.64 108.58 3hkw s THR 41 Ca 0.74 -1.81 0.34 0.00 -1.18 0.00 0.00 61.69 59.79 3hkw s THR 41 Cb -0.28 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.43 3hkw s THR 41 CO 0.38 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 177.28 3hkw h SER 42 N 2.34 0.00 -0.15 3.99 4.64 -1.87 -2.47 113.55 120.03 3hkw h SER 42 Ca -0.30 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 3hkw h SER 42 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3hkw h SER 42 CO 0.43 0.00 0.13 0.03 -0.87 0.00 0.00 176.83 176.55 3hkw h ARG 43 N 0.00 0.00 -0.58 4.77 3.08 -1.96 -1.86 114.38 117.83 3hkw h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkw h ARG 43 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hkw h ARG 43 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3hkw n SER 44 N -4.17 3.64 -0.18 7.04 3.41 -0.93 -4.61 113.62 117.82 3hkw n SER 44 Ca 0.01 -2.04 -0.01 0.00 -0.26 0.00 0.00 58.87 56.57 3hkw n SER 44 Cb 0.25 -0.40 0.23 0.00 -0.26 0.00 0.00 64.21 64.03 3hkw n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkw h ALA 45 N 3.43 1.38 -0.63 7.33 0.00 -1.48 -2.35 119.26 126.93 3hkw h ALA 45 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hkw h ALA 45 Cb 0.93 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3hkw h ALA 45 CO 0.02 0.51 0.42 0.00 0.00 0.00 0.00 179.25 180.19 3hkw h GLN 47 N 0.83 0.92 -0.43 0.00 4.20 -1.77 -1.77 115.11 117.11 3hkw h GLN 47 Ca 0.24 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3hkw h GLN 47 Cb -0.06 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3hkw h GLN 47 CO -0.05 0.87 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.68 3hkw h ARG 48 N 0.82 0.90 -0.79 1.46 9.65 -1.30 -2.72 114.38 122.39 3hkw h ARG 48 Ca 0.18 -0.39 0.11 0.00 -1.10 0.00 0.00 59.98 58.77 3hkw h ARG 48 Cb 0.38 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.85 3hkw h ARG 48 CO 0.01 1.04 0.42 1.96 2.80 0.00 0.00 179.97 186.20 3hkw h GLN 49 N 0.72 0.66 -0.07 0.20 4.20 -0.56 -1.43 115.11 118.83 3hkw h GLN 49 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hkw h GLN 49 Cb 0.78 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3hkw h GLN 49 CO 0.06 0.44 0.04 -0.22 -0.67 0.00 0.00 178.83 178.48 3hkw h LYS 50 N 0.68 0.08 -0.79 1.46 3.64 -1.18 -2.81 116.57 117.65 3hkw h LYS 50 Ca 0.40 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 3hkw h LYS 50 Cb 0.44 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3hkw h LYS 50 CO -0.29 0.05 0.38 -0.22 -2.27 0.00 0.00 179.45 177.11 3hkw h LYS 51 N 0.08 1.13 -0.01 1.90 3.64 -1.04 -2.90 116.57 119.38 3hkw h LYS 51 Ca 0.02 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3hkw h LYS 51 Cb -0.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3hkw h LYS 51 CO -0.01 0.87 -0.06 1.33 -2.27 0.00 0.00 179.45 179.31 3hkw n VAL 52 N -4.32 0.00 -3.64 2.00 0.24 -0.61 -4.74 118.33 107.26 3hkw n VAL 52 Ca 0.08 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 3hkw n VAL 52 Cb 0.14 0.06 -0.11 0.00 -1.47 0.00 0.00 33.84 32.45 3hkw n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hkw s THR 53 N -2.20 4.52 0.17 3.34 2.01 -1.07 -4.67 115.64 117.73 3hkw s THR 53 Ca 0.36 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.45 3hkw s THR 53 Cb 0.21 -3.42 0.06 0.00 0.01 0.00 0.00 72.50 69.36 3hkw s THR 53 CO 0.41 -0.08 0.79 0.72 -0.69 0.00 0.00 174.62 175.76 3hkw s PHE 54 N 1.57 -0.28 0.20 4.92 -0.71 -1.26 -4.96 117.98 117.45 3hkw s PHE 54 Ca 0.03 -0.02 -0.26 0.00 -1.04 0.00 0.00 56.93 55.64 3hkw s PHE 54 Cb -0.18 0.63 -0.08 0.00 -1.21 0.00 0.00 43.02 42.17 3hkw s PHE 54 CO 0.06 -0.91 0.83 0.34 -1.34 0.00 0.00 175.22 174.20 3hkw s ASP 55 N -2.81 7.45 -0.17 1.98 2.15 -1.26 -1.19 116.67 122.82 3hkw s ASP 55 Ca 0.08 1.73 -0.06 0.00 0.43 0.00 0.00 52.55 54.73 3hkw s ASP 55 Cb -0.03 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 3hkw s ASP 55 CO -0.02 0.18 0.02 -0.13 -0.17 0.00 0.00 175.17 175.05 3hkw s ARG 56 N -1.23 3.84 -0.13 4.34 3.00 -0.59 -4.96 118.95 123.21 3hkw s ARG 56 Ca 0.38 -0.41 -0.01 0.00 0.00 0.00 0.00 55.73 55.69 3hkw s ARG 56 Cb -0.23 -3.08 -0.02 0.00 0.00 0.00 0.00 34.95 31.61 3hkw s ARG 56 CO 0.28 0.27 -0.12 -0.48 0.00 0.00 0.00 175.30 175.25 3hkw s LEU 57 N 0.33 2.79 -0.04 2.53 0.05 -1.26 -4.32 118.68 118.76 3hkw s LEU 57 Ca 0.00 -0.30 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 3hkw s LEU 57 Cb -0.13 -1.63 0.03 0.00 -2.05 0.00 0.00 46.19 42.40 3hkw s LEU 57 CO 0.01 0.17 0.01 -1.58 -0.55 0.00 0.00 176.35 174.42 3hkw s GLN 58 N 0.33 0.28 -0.14 1.48 0.74 -1.26 -3.76 119.66 117.33 3hkw s GLN 58 Ca -0.10 0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.46 3hkw s GLN 58 Cb -0.16 -0.60 0.04 0.00 1.10 0.00 0.00 33.01 33.39 3hkw s GLN 58 CO 0.05 -0.22 -0.04 0.08 -0.55 0.00 0.00 175.29 174.61 3hkw s VAL 59 N 1.51 0.91 -0.12 1.34 1.01 0.05 -5.02 120.40 120.08 3hkw s VAL 59 Ca -0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3hkw s VAL 59 Cb -0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3hkw s VAL 59 CO -0.03 0.18 0.12 -0.76 0.00 0.00 0.00 175.10 174.62 3hkw s LEU 60 N 1.73 4.29 0.00 3.92 1.43 -1.26 -4.20 118.68 124.59 3hkw s LEU 60 Ca 0.02 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3hkw s LEU 60 Cb -0.14 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3hkw s LEU 60 CO -0.07 0.39 0.02 -0.90 0.23 0.00 0.00 176.35 176.01 3hkw n ASP 61 N 2.13 2.65 0.02 2.29 5.75 -1.26 -5.00 116.55 123.12 3hkw n ASP 61 Ca -0.20 -2.12 0.02 0.00 -0.01 0.00 0.00 54.79 52.48 3hkw n ASP 61 Cb 0.55 0.16 0.36 0.00 -1.03 0.00 0.00 41.12 41.16 3hkw n ASP 61 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3hkw h SER 62 N 0.60 0.44 -0.52 -1.12 4.64 -1.99 -1.63 113.55 113.97 3hkw h SER 62 Ca -0.21 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3hkw h SER 62 Cb 0.65 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3hkw h SER 62 CO 0.35 0.45 0.19 0.45 -0.87 0.00 0.00 176.83 177.40 3hkw h HIS 63 N 0.48 0.80 -0.31 4.77 3.86 -1.96 0.11 115.15 122.89 3hkw h HIS 63 Ca 0.11 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3hkw h HIS 63 Cb 0.19 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3hkw h HIS 63 CO 0.01 0.67 0.20 -0.92 0.86 0.00 0.00 177.93 178.74 3hkw h TYR 64 N 0.70 0.39 -0.24 2.45 5.03 -1.76 -1.28 116.97 122.26 3hkw h TYR 64 Ca 0.17 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.39 3hkw h TYR 64 Cb 0.22 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 3hkw h TYR 64 CO 0.01 0.26 -0.26 1.96 -1.32 0.00 0.00 178.16 178.81 3hkw h GLN 65 N 0.41 0.46 -0.34 1.82 1.08 -1.04 -0.55 115.11 116.94 3hkw h GLN 65 Ca 0.11 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3hkw h GLN 65 Cb -0.03 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3hkw h GLN 65 CO -0.02 0.68 0.05 -0.44 -0.95 0.00 0.00 178.83 178.16 3hkw h ASP 66 N 0.41 0.54 -0.57 1.46 3.32 -0.49 -1.63 116.42 119.46 3hkw h ASP 66 Ca 0.06 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 3hkw h ASP 66 Cb 0.67 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3hkw h ASP 66 CO 0.05 0.67 0.01 0.58 -1.72 0.00 0.00 179.24 178.82 3hkw h VAL 67 N 0.40 1.26 -0.98 -1.35 2.07 -0.95 -2.67 116.25 114.03 3hkw h VAL 67 Ca 0.10 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.51 3hkw h VAL 67 Cb 0.35 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3hkw h VAL 67 CO 0.01 0.40 0.64 0.25 0.02 0.00 0.00 177.57 178.89 3hkw h LEU 68 N 0.89 1.14 -0.72 2.57 5.85 -0.97 -1.33 115.31 122.74 3hkw h LEU 68 Ca 0.16 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hkw h LEU 68 Cb 0.53 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3hkw h LEU 68 CO 0.03 0.83 0.46 0.11 -0.34 0.00 0.00 178.44 179.53 3hkw h LYS 69 N 1.33 0.89 -0.53 1.25 1.57 -1.07 -0.63 116.57 119.38 3hkw h LYS 69 Ca 0.36 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3hkw h LYS 69 Cb -0.14 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 31.94 3hkw h LYS 69 CO -0.08 0.59 0.34 0.93 -0.57 0.00 0.00 179.45 180.66 3hkw h GLU 70 N 0.91 0.66 -0.48 3.15 5.08 -1.05 -1.36 114.58 121.50 3hkw h GLU 70 Ca 0.28 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3hkw h GLU 70 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3hkw h GLU 70 CO -0.09 0.44 0.18 0.28 -1.00 0.00 0.00 179.01 178.81 3hkw h VAL 71 N 0.68 1.22 -0.41 3.13 2.07 -0.66 -0.66 116.25 121.62 3hkw h VAL 71 Ca 0.20 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 3hkw h VAL 71 Cb -0.04 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3hkw h VAL 71 CO -0.07 0.25 -0.18 0.11 0.02 0.00 0.00 177.57 177.70 3hkw h LYS 72 N 0.63 0.78 -0.53 1.57 1.57 -0.96 -0.27 116.57 119.37 3hkw h LYS 72 Ca 0.16 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3hkw h LYS 72 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3hkw h LYS 72 CO -0.01 0.91 0.24 0.00 -0.57 0.00 0.00 179.45 180.02 3hkw h ALA 73 N 1.10 0.68 -0.61 3.86 0.00 -1.00 -2.14 119.26 121.15 3hkw h ALA 73 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3hkw h ALA 73 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hkw h ALA 73 CO 0.05 0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.61 3hkw h ALA 74 N 1.08 0.93 -0.02 0.00 0.00 -0.80 -2.77 119.26 117.67 3hkw h ALA 74 Ca 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hkw h ALA 74 Cb 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hkw h ALA 74 CO -0.02 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.79 3hkw h ALA 75 N 1.08 1.81 0.00 0.00 0.00 -0.86 -2.65 119.26 118.63 3hkw h ALA 75 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hkw h ALA 75 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hkw h ALA 75 CO 0.02 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 3hkw n SER 76 N -4.41 0.53 0.00 0.00 3.41 -0.82 -1.32 113.62 111.01 3hkw n SER 76 Ca -0.02 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 3hkw n SER 76 Cb 0.18 -0.76 0.47 0.00 -0.26 0.00 0.00 64.21 63.84 3hkw n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hkw n LYS 77 N -2.11 0.01 -3.10 4.33 5.02 -1.00 -4.70 118.16 116.61 3hkw n LYS 77 Ca 0.01 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 3hkw n LYS 77 Cb 0.17 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 3hkw n LYS 77 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hkw s VAL 78 N -3.00 4.69 -0.13 -0.18 1.01 -0.44 -4.98 120.40 117.36 3hkw s VAL 78 Ca 0.13 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.59 3hkw s VAL 78 Cb 0.18 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3hkw s VAL 78 CO 0.60 0.45 -0.17 -0.75 0.00 0.00 0.00 175.10 175.23 3hkw s LYS 79 N -0.56 3.22 0.06 2.72 2.20 -1.26 -0.70 119.74 125.42 3hkw s LYS 79 Ca 0.34 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 55.24 3hkw s LYS 79 Cb -0.20 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 3hkw s LYS 79 CO 0.22 0.12 -0.16 0.00 -0.36 0.00 0.00 175.35 175.16 3hkw s ALA 80 N 0.56 1.37 0.18 3.13 0.00 -0.63 -4.96 121.76 121.40 3hkw s ALA 80 Ca -0.10 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3hkw s ALA 80 Cb -0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3hkw s ALA 80 CO 0.04 0.25 0.08 -0.80 0.00 0.00 0.00 175.76 175.34 3hkw s ASN 81 N -1.47 5.21 0.47 0.00 0.01 -1.26 -4.29 114.94 113.61 3hkw s ASN 81 Ca 0.02 -0.25 -0.22 0.00 -0.71 0.00 0.00 52.86 51.70 3hkw s ASN 81 Cb -0.09 -1.26 -0.07 0.00 0.41 0.00 0.00 41.25 40.23 3hkw s ASN 81 CO 0.02 0.07 1.14 -0.76 -1.51 0.00 0.00 177.10 176.06 3hkw s LEU 82 N -3.10 3.97 0.08 0.60 1.43 -1.26 -4.47 118.68 115.94 3hkw s LEU 82 Ca 0.30 2.22 -0.10 0.00 -1.03 0.00 0.00 54.13 55.52 3hkw s LEU 82 Cb -0.10 -4.31 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 3hkw s LEU 82 CO 0.22 -0.90 0.41 -0.76 0.23 0.00 0.00 176.35 175.54 3hkw s LEU 83 N -3.14 4.35 0.85 1.79 1.02 -0.19 -5.05 118.68 118.30 3hkw s LEU 83 Ca 0.65 0.81 -0.11 0.00 0.02 0.00 0.00 54.13 55.50 3hkw s LEU 83 Cb -0.26 -3.00 0.10 0.00 0.02 0.00 0.00 46.19 43.05 3hkw s LEU 83 CO 0.31 0.17 1.10 -0.94 0.02 0.00 0.00 176.35 177.01 3hkw s SER 84 N -1.76 3.78 0.20 2.29 1.04 -1.26 -4.60 113.70 113.38 3hkw s SER 84 Ca 0.33 1.85 -0.11 0.00 0.48 0.00 0.00 55.95 58.50 3hkw s SER 84 Cb -0.14 -2.46 0.24 0.00 0.10 0.00 0.00 66.02 63.76 3hkw s SER 84 CO 0.18 -2.50 1.74 0.58 0.98 0.00 0.00 173.24 174.22 3hkw h VAL 85 N -1.45 0.79 -0.22 5.02 2.07 -1.99 -0.74 116.25 119.73 3hkw h VAL 85 Ca -0.45 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3hkw h VAL 85 Cb 1.25 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3hkw h VAL 85 CO 0.49 0.07 -0.00 -0.08 0.02 0.00 0.00 177.57 178.07 3hkw h GLU 86 N 0.39 0.06 -0.50 1.57 4.81 -1.99 0.12 114.58 119.04 3hkw h GLU 86 Ca 0.28 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3hkw h GLU 86 Cb 0.33 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3hkw h GLU 86 CO -0.29 0.04 0.33 0.93 -0.73 0.00 0.00 179.01 179.29 3hkw h GLU 87 N 0.06 0.64 -0.56 1.92 5.08 -1.85 -2.22 114.58 117.66 3hkw h GLU 87 Ca 0.10 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3hkw h GLU 87 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hkw h GLU 87 CO -0.18 0.43 -0.02 0.00 -1.00 0.00 0.00 179.01 178.23 3hkw h ALA 88 N 1.19 0.89 -0.94 3.43 0.00 -0.70 -2.62 119.26 120.52 3hkw h ALA 88 Ca 0.19 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hkw h ALA 88 Cb -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3hkw h ALA 88 CO -0.05 0.65 0.62 0.00 0.00 0.00 0.00 179.25 180.47 3hkw n SER 90 N -4.42 0.00 -0.56 0.00 7.64 -0.86 -1.88 113.62 113.54 3hkw n SER 90 Ca 0.12 -0.32 0.13 0.00 1.01 0.00 0.00 58.87 59.81 3hkw n SER 90 Cb 0.06 -0.22 0.41 0.00 -1.01 0.00 0.00 64.21 63.45 3hkw n SER 90 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hkw n LEU 91 N -1.22 1.78 -4.69 -3.43 4.77 -0.94 -4.86 117.00 108.40 3hkw n LEU 91 Ca 0.16 -0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 3hkw n LEU 91 Cb 0.21 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3hkw n LEU 91 CO 0.22 0.30 0.59 -0.89 -1.33 0.00 0.00 177.39 176.27 3hkw s THR 92 N -2.06 4.91 0.45 -5.08 2.01 -0.79 -0.52 115.64 114.56 3hkw s THR 92 Ca 0.34 1.72 -0.25 0.00 0.31 0.00 0.00 61.69 63.81 3hkw s THR 92 Cb 0.21 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 3hkw s THR 92 CO 0.35 0.11 1.36 -2.84 -0.69 0.00 0.00 174.62 172.92 3hkw s PRO 93 N 1.52 3.71 0.55 4.92 0.02 -1.26 -4.77 135.00 139.69 3hkw s PRO 93 Ca 0.42 2.26 0.27 0.00 0.02 0.00 0.00 61.00 63.97 3hkw s PRO 93 Cb -0.18 -2.62 1.46 0.00 0.02 0.00 0.00 34.50 33.18 3hkw s PRO 93 CO 0.18 -0.75 1.98 -1.35 -0.33 0.00 0.00 177.00 176.74 3hkw h PRO 94 N 2.30 0.00 -0.25 5.54 0.11 -1.95 -1.61 132.00 136.14 3hkw h PRO 94 Ca -0.50 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3hkw h PRO 94 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3hkw h PRO 94 CO 0.61 0.00 -0.13 0.72 -0.21 0.00 0.00 178.00 178.99 3hkw n HIS 95 N -4.14 0.79 -1.67 0.65 8.25 -1.26 -4.34 115.22 113.51 3hkw n HIS 95 Ca 0.09 -1.41 -0.39 0.00 -0.26 0.00 0.00 57.72 55.75 3hkw n HIS 95 Cb 0.60 -0.39 0.04 0.00 1.12 0.00 0.00 29.99 31.36 3hkw n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkw n SER 96 N -1.05 1.63 -4.72 0.41 2.88 -0.61 -4.88 113.62 107.28 3hkw n SER 96 Ca 0.27 0.91 -0.42 0.00 -1.33 0.00 0.00 58.87 58.30 3hkw n SER 96 Cb 0.92 -1.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 3hkw n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkw n ALA 97 N -1.28 2.73 -1.68 -1.46 0.00 -1.26 -4.25 120.51 113.32 3hkw n ALA 97 Ca 0.12 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 3hkw n ALA 97 Cb 0.45 -2.51 0.05 0.00 0.00 0.00 0.00 19.45 17.44 3hkw n ALA 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hkw n ARG 98 N 3.71 1.30 -2.10 0.00 0.63 -1.26 -4.51 116.66 114.44 3hkw n ARG 98 Ca 0.15 0.49 -0.34 0.00 -0.92 0.00 0.00 57.85 57.23 3hkw n ARG 98 Cb 0.35 -2.36 0.01 0.00 0.45 0.00 0.00 32.46 30.91 3hkw n ARG 98 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3hkw s SER 99 N -1.06 5.64 0.05 6.15 0.15 -0.03 -4.69 113.70 119.92 3hkw s SER 99 Ca 0.73 2.00 0.21 0.00 0.70 0.00 0.00 55.95 59.59 3hkw s SER 99 Cb -0.43 -2.56 0.85 0.00 -1.71 0.00 0.00 66.02 62.17 3hkw s SER 99 CO 0.48 -1.27 1.65 0.29 1.20 0.00 0.00 173.24 175.59 3hkw n LYS 100 N -1.77 0.05 -1.04 5.44 5.02 -1.26 -3.71 118.16 120.89 3hkw n LYS 100 Ca 0.10 0.21 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 3hkw n LYS 100 Cb 0.52 -1.58 0.22 0.00 -0.02 0.00 0.00 35.03 34.17 3hkw n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hkw n PHE 101 N -1.66 2.33 -1.36 2.13 3.72 -1.26 -4.94 117.46 116.42 3hkw n PHE 101 Ca 0.04 -1.59 0.00 0.00 -0.05 0.00 0.00 57.45 55.86 3hkw n PHE 101 Cb 0.24 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 3hkw n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hkw n GLY 102 N -0.87 0.69 3.33 1.37 0.00 -1.24 -5.03 105.19 103.43 3hkw n GLY 102 Ca 0.47 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3hkw n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkw s TYR 103 N -2.00 -0.01 0.15 1.61 1.13 -1.26 -4.98 117.35 111.98 3hkw s TYR 103 Ca 0.00 -0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 3hkw s TYR 103 Cb 0.00 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 41.01 3hkw s TYR 103 CO 0.00 -0.70 0.05 0.41 -2.51 0.00 0.00 175.55 172.80 3hkw n GLY 104 N -0.20 3.81 0.32 5.49 0.00 -1.26 -0.85 105.19 112.50 3hkw n GLY 104 Ca -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 43.86 3hkw n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw h ALA 105 N 1.23 1.10 -0.83 4.61 0.00 -1.84 -1.60 119.26 121.93 3hkw h ALA 105 Ca -0.11 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hkw h ALA 105 Cb 0.43 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3hkw h ALA 105 CO 0.18 0.36 0.52 -0.22 0.00 0.00 0.00 179.25 180.09 3hkw h LYS 106 N 1.04 0.94 -0.55 0.00 3.64 -1.89 0.48 116.57 120.23 3hkw h LYS 106 Ca 0.33 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 3hkw h LYS 106 Cb 0.01 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3hkw h LYS 106 CO -0.12 0.62 0.17 -0.44 -2.27 0.00 0.00 179.45 177.42 3hkw h ASP 107 N 0.97 0.81 -0.10 4.20 3.32 -1.77 -1.84 116.42 122.00 3hkw h ASP 107 Ca 0.35 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hkw h ASP 107 Cb 0.11 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3hkw h ASP 107 CO -0.15 0.80 0.06 0.58 -1.72 0.00 0.00 179.24 178.81 3hkw h VAL 108 N 0.77 1.08 0.00 -1.35 2.07 -0.71 0.48 116.25 118.59 3hkw h VAL 108 Ca 0.18 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3hkw h VAL 108 Cb 0.29 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hkw h VAL 108 CO -0.00 0.07 -0.20 0.03 0.02 0.00 0.00 177.57 177.49 3hkw h ARG 109 N 0.08 0.00 -0.32 1.57 3.08 -0.78 -1.30 114.38 116.71 3hkw h ARG 109 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hkw h ARG 109 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hkw h ARG 109 CO -0.01 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.09 3hkw n HIS 111 N 0.97 -2.52 -1.84 0.00 8.25 -0.49 -4.93 115.22 114.66 3hkw n HIS 111 Ca 0.18 0.95 -0.39 0.00 -0.26 0.00 0.00 57.72 58.20 3hkw n HIS 111 Cb 0.48 -4.59 0.03 0.00 1.12 0.00 0.00 29.99 27.02 3hkw n HIS 111 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkw s ALA 112 N -3.35 3.01 0.20 -1.41 0.00 0.08 -4.76 121.76 115.53 3hkw s ALA 112 Ca 0.51 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.65 3hkw s ALA 112 Cb -0.24 -3.56 0.18 0.00 0.00 0.00 0.00 23.12 19.50 3hkw s ALA 112 CO 0.78 -1.22 1.61 -0.09 0.00 0.00 0.00 175.76 176.84 3hkw h ARG 113 N 1.90 -0.08 -0.36 0.00 2.43 -1.91 -0.20 114.38 116.15 3hkw h ARG 113 Ca -0.51 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3hkw h ARG 113 Cb 1.28 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3hkw h ARG 113 CO 0.59 -0.05 0.22 -0.22 -1.51 0.00 0.00 179.97 179.00 3hkw h LYS 114 N -0.08 0.50 0.05 0.20 3.64 -1.96 0.23 116.57 119.15 3hkw h LYS 114 Ca 0.27 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3hkw h LYS 114 Cb 0.50 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3hkw h LYS 114 CO -0.64 0.37 -0.03 0.00 -2.27 0.00 0.00 179.45 176.89 3hkw h ALA 115 N 1.09 -0.07 -0.41 5.00 0.00 -1.73 -2.44 119.26 120.70 3hkw h ALA 115 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hkw h ALA 115 Cb 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hkw h ALA 115 CO -0.02 -0.50 -0.11 0.28 0.00 0.00 0.00 179.25 178.90 3hkw h VAL 116 N -0.16 1.25 -0.19 0.00 2.07 -0.79 -0.33 116.25 118.09 3hkw h VAL 116 Ca -0.01 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3hkw h VAL 116 Cb 0.14 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hkw h VAL 116 CO 0.01 0.39 0.12 0.74 0.02 0.00 0.00 177.57 178.85 3hkw h THR 117 N 0.66 1.04 -0.50 2.57 2.02 -0.47 -0.87 112.91 117.35 3hkw h THR 117 Ca 0.11 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3hkw h THR 117 Cb 0.57 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3hkw h THR 117 CO 0.04 0.05 0.15 -0.74 0.37 0.00 0.00 175.52 175.38 3hkw h HIS 118 N 0.25 0.82 -0.43 3.16 6.17 -1.10 -2.27 115.15 121.75 3hkw h HIS 118 Ca 0.07 -0.09 -0.00 0.00 0.71 0.00 0.00 60.37 61.06 3hkw h HIS 118 Cb -0.02 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.65 3hkw h HIS 118 CO -0.07 0.71 0.26 0.82 0.71 0.00 0.00 177.93 180.36 3hkw h ILE 119 N 0.69 1.14 -0.90 6.26 2.04 -0.77 -0.31 117.51 125.65 3hkw h ILE 119 Ca 0.16 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hkw h ILE 119 Cb 0.29 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3hkw h ILE 119 CO -0.00 0.14 0.59 0.78 0.00 0.00 0.00 178.15 179.66 3hkw h ASN 120 N 0.57 0.91 0.00 1.72 2.35 -1.06 -0.59 115.58 119.49 3hkw h ASN 120 Ca 0.15 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 3hkw h ASN 120 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3hkw h ASN 120 CO -0.03 0.59 -0.38 0.77 -1.65 0.00 0.00 177.43 176.73 3hkw h SER 121 N 1.04 0.52 -0.30 5.81 4.64 -0.75 -1.23 113.55 123.28 3hkw h SER 121 Ca 0.39 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3hkw h SER 121 Cb 0.18 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3hkw h SER 121 CO -0.14 0.86 -0.03 0.58 -0.87 0.00 0.00 176.83 177.23 3hkw h VAL 122 N 0.42 1.27 -0.30 0.95 2.07 -0.32 -1.38 116.25 118.96 3hkw h VAL 122 Ca 0.04 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3hkw h VAL 122 Cb 0.86 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3hkw h VAL 122 CO 0.07 0.32 0.18 -0.25 0.02 0.00 0.00 177.57 177.91 3hkw h TRP 123 N 0.32 0.33 -0.71 1.57 2.91 -0.97 0.04 115.95 119.45 3hkw h TRP 123 Ca 0.08 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.14 3hkw h TRP 123 Cb 0.49 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.99 3hkw h TRP 123 CO 0.04 0.20 0.45 -0.22 -1.03 0.00 0.00 178.44 177.88 3hkw h LYS 124 N 0.36 0.86 -0.43 2.65 3.64 -1.16 -1.76 116.57 120.72 3hkw h LYS 124 Ca 0.11 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3hkw h LYS 124 Cb -0.01 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3hkw h LYS 124 CO -0.05 0.57 0.01 0.22 -2.27 0.00 0.00 179.45 177.93 3hkw h ASP 125 N 0.88 0.66 -0.13 4.20 1.82 -0.79 -1.37 116.42 121.70 3hkw h ASP 125 Ca 0.28 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 3hkw h ASP 125 Cb -0.01 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 3hkw h ASP 125 CO -0.10 0.73 -0.06 -0.07 -1.61 0.00 0.00 179.24 178.13 3hkw h LEU 126 N 0.66 0.40 -0.59 2.28 3.38 -0.33 0.38 115.31 121.49 3hkw h LEU 126 Ca 0.13 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3hkw h LEU 126 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hkw h LEU 126 CO 0.01 0.52 -0.39 -0.07 0.09 0.00 0.00 178.44 178.60 3hkw h LEU 127 N 0.41 0.00 0.00 1.67 3.38 -0.48 -3.34 115.31 116.95 3hkw h LEU 127 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3hkw h LEU 127 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hkw h LEU 127 CO 0.02 0.39 -1.99 -0.62 0.09 0.00 0.00 178.44 176.33 3hkw n GLU 128 N -3.37 0.67 -3.85 1.13 1.02 -0.60 -4.89 120.64 110.74 3hkw n GLU 128 Ca 0.01 -0.15 -0.27 0.00 -0.02 0.00 0.00 57.16 56.73 3hkw n GLU 128 Cb 0.58 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 30.36 3hkw n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hkw s ASP 129 N -4.51 2.47 -0.02 1.62 -1.08 0.09 -5.00 116.67 110.24 3hkw s ASP 129 Ca -0.08 -0.49 0.13 0.00 -0.52 0.00 0.00 52.55 51.59 3hkw s ASP 129 Cb 0.11 -0.78 0.38 0.00 -1.46 0.00 0.00 42.92 41.18 3hkw s ASP 129 CO 0.82 -0.18 1.32 -1.54 0.52 0.00 0.00 175.17 176.11 3hkw n SER 130 N 4.96 3.20 0.00 -0.34 3.41 -1.26 -4.52 113.62 119.07 3hkw n SER 130 Ca -0.11 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3hkw n SER 130 Cb 0.49 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3hkw n SER 130 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hkw n VAL 131 N 0.59 0.00 -2.22 -3.33 0.24 -1.26 -4.51 118.33 107.84 3hkw n VAL 131 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 3hkw n VAL 131 Cb 0.50 -0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 32.36 3hkw n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hkw s THR 132 N -1.64 3.92 0.32 3.34 2.01 -1.26 -4.70 115.64 117.63 3hkw s THR 132 Ca 0.00 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.81 3hkw s THR 132 Cb 0.00 -3.77 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 3hkw s THR 132 CO 0.00 -0.17 1.24 -2.65 -0.69 0.00 0.00 174.62 172.35 3hkw n PRO 133 N 7.05 1.94 -3.23 4.92 -0.02 -1.26 -4.75 135.00 139.66 3hkw n PRO 133 Ca 0.16 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.94 3hkw n PRO 133 Cb 0.44 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3hkw n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 134 N -0.99 4.93 0.53 4.25 1.01 0.63 -4.95 121.20 126.61 3hkw s ILE 134 Ca 0.57 1.21 -0.21 0.00 0.00 0.00 0.00 60.65 62.22 3hkw s ILE 134 Cb -0.61 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3hkw s ILE 134 CO 0.61 0.42 1.26 -0.62 0.00 0.00 0.00 174.94 176.61 3hkw s ASP 135 N -0.19 5.51 0.13 3.58 2.15 -1.26 -4.36 116.67 122.22 3hkw s ASP 135 Ca 0.30 2.53 0.06 0.00 0.43 0.00 0.00 52.55 55.87 3hkw s ASP 135 Cb -0.18 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 3hkw s ASP 135 CO 0.17 -1.39 -0.13 0.42 -0.17 0.00 0.00 175.17 174.07 3hkw s THR 136 N -1.45 1.31 -0.08 1.71 -4.23 -1.02 -4.34 115.64 107.55 3hkw s THR 136 Ca 0.71 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 59.31 3hkw s THR 136 Cb -0.34 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 3hkw s THR 136 CO 0.40 -0.50 0.23 -0.89 -0.54 0.00 0.00 174.62 173.32 3hkw s THR 137 N -2.43 5.34 -0.18 3.99 2.01 0.58 -0.67 115.64 124.28 3hkw s THR 137 Ca 0.11 0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 3hkw s THR 137 Cb -0.03 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3hkw s THR 137 CO 0.03 0.60 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.02 3hkw s ILE 138 N -1.04 3.75 0.11 1.82 2.07 -0.60 -1.22 121.20 126.09 3hkw s ILE 138 Ca 0.18 -0.39 0.06 0.00 -1.41 0.00 0.00 60.65 59.09 3hkw s ILE 138 Cb -0.14 -2.67 -0.04 0.00 0.13 0.00 0.00 42.46 39.75 3hkw s ILE 138 CO 0.07 0.45 -0.15 -0.04 -1.91 0.00 0.00 174.94 173.37 3hkw s MET 139 N 0.85 1.00 -0.17 3.50 -1.94 -0.61 -4.38 119.30 117.55 3hkw s MET 139 Ca -0.01 -1.18 -0.19 0.00 -1.71 0.00 0.00 55.69 52.61 3hkw s MET 139 Cb -0.14 -0.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.71 3hkw s MET 139 CO 0.02 0.19 0.54 0.00 -0.01 0.00 0.00 175.02 175.76 3hkw s ALA 140 N -1.85 3.51 0.34 3.03 0.00 -1.26 -1.11 121.76 124.42 3hkw s ALA 140 Ca 0.07 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 3hkw s ALA 140 Cb -0.06 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 3hkw s ALA 140 CO 0.03 -0.33 1.21 0.15 0.00 0.00 0.00 175.76 176.82 3hkw s LYS 141 N 1.37 4.32 -0.52 0.00 1.02 0.54 -4.71 119.74 121.75 3hkw s LYS 141 Ca 0.26 1.99 -0.16 0.00 0.02 0.00 0.00 55.97 58.08 3hkw s LYS 141 Cb -0.16 -2.96 0.11 0.00 -0.52 0.00 0.00 37.83 34.30 3hkw s LYS 141 CO 0.10 -0.14 0.48 -0.80 -0.92 0.00 0.00 175.35 174.07 3hkw s ASN 142 N -0.80 6.18 0.04 2.83 0.02 -1.26 -4.33 114.94 117.62 3hkw s ASN 142 Ca 0.51 -1.61 0.07 0.00 -1.02 0.00 0.00 52.86 50.80 3hkw s ASN 142 Cb -0.35 -2.21 -0.02 0.00 0.02 0.00 0.00 41.25 38.69 3hkw s ASN 142 CO 0.45 -0.80 -0.19 -1.61 0.02 0.00 0.00 177.10 174.97 3hkw s GLU 143 N 1.67 1.28 -0.09 -0.60 2.02 -1.25 -4.87 118.70 116.87 3hkw s GLU 143 Ca 0.04 -0.90 -0.10 0.00 0.02 0.00 0.00 54.97 54.03 3hkw s GLU 143 Cb -0.28 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 3hkw s GLU 143 CO 0.04 0.35 0.23 0.08 0.02 0.00 0.00 175.26 175.99 3hkw s VAL 144 N -0.81 5.34 0.26 2.63 1.01 -1.26 -0.94 120.40 126.64 3hkw s VAL 144 Ca 0.06 0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 3hkw s VAL 144 Cb -0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3hkw s VAL 144 CO 0.02 0.59 0.35 -0.36 0.00 0.00 0.00 175.10 175.70 3hkw s PHE 145 N -0.94 0.87 -0.10 5.22 0.08 -0.25 -4.70 117.98 118.16 3hkw s PHE 145 Ca 0.18 -1.13 -0.05 0.00 0.12 0.00 0.00 56.93 56.05 3hkw s PHE 145 Cb -0.14 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 3hkw s PHE 145 CO 0.07 -0.90 0.09 0.00 -0.10 0.00 0.00 175.22 174.38 3hkw s VAL 147 N -0.99 2.09 -0.41 0.00 -7.23 0.57 -4.98 120.40 109.45 3hkw s VAL 147 Ca 0.15 0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.39 3hkw s VAL 147 Cb -0.12 -2.20 0.17 0.00 0.56 0.00 0.00 36.38 34.80 3hkw s VAL 147 CO 0.04 -0.03 0.34 -1.58 -0.31 0.00 0.00 175.10 173.56 3hkw s GLN 148 N -4.48 0.92 -0.91 4.82 2.00 -1.26 -5.00 119.66 115.74 3hkw s GLN 148 Ca 0.69 -2.11 -0.24 0.00 -2.00 0.00 0.00 55.36 51.70 3hkw s GLN 148 Cb -0.25 -1.44 0.05 0.00 0.80 0.00 0.00 33.01 32.18 3hkw s GLN 148 CO 0.55 -1.39 1.35 -1.25 -0.50 0.00 0.00 175.29 174.06 3hkw s PRO 149 N 0.06 3.45 0.00 1.67 0.05 -1.26 -4.81 135.00 134.15 3hkw s PRO 149 Ca 0.33 -0.90 0.00 0.00 0.05 0.00 0.00 61.00 60.48 3hkw s PRO 149 Cb 0.03 -4.92 0.00 0.00 0.05 0.00 0.00 34.50 29.67 3hkw s PRO 149 CO -0.20 -2.14 0.00 0.41 0.05 0.00 0.00 177.00 175.13 3hkw n GLY 153 N 6.25 1.18 3.17 0.56 0.00 -1.26 -5.31 105.19 109.78 3hkw n GLY 153 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3hkw n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkw s ARG 154 N 1.82 1.41 0.31 1.61 0.52 -1.26 -4.59 118.95 118.77 3hkw s ARG 154 Ca 0.00 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 3hkw s ARG 154 Cb 0.00 -1.37 -0.10 0.00 0.52 0.00 0.00 34.95 34.00 3hkw s ARG 154 CO 0.00 0.38 1.21 0.15 0.02 0.00 0.00 175.30 177.06 3hkw s LYS 155 N -0.47 4.48 0.72 3.54 1.02 -1.26 -5.03 119.74 122.75 3hkw s LYS 155 Ca 0.07 2.03 -0.12 0.00 0.02 0.00 0.00 55.97 57.97 3hkw s LYS 155 Cb -0.07 -3.12 0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3hkw s LYS 155 CO -0.01 -0.01 1.08 -1.25 -0.92 0.00 0.00 175.35 174.25 3hkw s PRO 156 N -1.64 2.61 0.35 -1.68 0.04 -1.26 -4.82 135.00 128.60 3hkw s PRO 156 Ca 0.47 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 3hkw s PRO 156 Cb -0.36 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 3hkw s PRO 156 CO 0.48 -1.36 1.52 0.00 0.04 0.00 0.00 177.00 177.67 3hkw n ALA 157 N -3.15 2.43 -1.75 8.56 0.00 -1.26 -4.97 120.51 120.37 3hkw n ALA 157 Ca 0.09 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 3hkw n ALA 157 Cb 0.53 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 3hkw n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hkw s ARG 158 N -1.61 3.54 -0.06 0.00 0.52 -1.26 -4.66 118.95 115.42 3hkw s ARG 158 Ca 0.56 1.40 -0.03 0.00 -0.52 0.00 0.00 55.73 57.15 3hkw s ARG 158 Cb -0.48 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3hkw s ARG 158 CO 0.59 -0.66 0.11 -0.51 0.02 0.00 0.00 175.30 174.86 3hkw s LEU 159 N -3.82 4.13 -0.05 2.53 1.43 -1.26 -0.34 118.68 121.30 3hkw s LEU 159 Ca 0.68 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.14 3hkw s LEU 159 Cb -0.19 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 3hkw s LEU 159 CO 0.26 0.33 -0.23 -0.51 0.23 0.00 0.00 176.35 176.43 3hkw s ILE 160 N -1.13 2.23 -0.15 -0.59 1.10 -0.27 -4.90 121.20 117.50 3hkw s ILE 160 Ca 0.20 -1.01 0.00 0.00 -0.51 0.00 0.00 60.65 59.33 3hkw s ILE 160 Cb -0.12 -1.81 0.03 0.00 0.15 0.00 0.00 42.46 40.70 3hkw s ILE 160 CO 0.10 0.57 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.69 3hkw s VAL 161 N -0.32 1.45 -0.04 4.00 1.01 -1.26 -1.57 120.40 123.68 3hkw s VAL 161 Ca 0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3hkw s VAL 161 Cb -0.13 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3hkw s VAL 161 CO 0.02 0.39 0.18 0.72 0.00 0.00 0.00 175.10 176.42 3hkw s PHE 162 N 1.53 -0.11 0.86 5.22 -0.71 -0.36 -0.51 117.98 123.90 3hkw s PHE 162 Ca 0.04 0.23 -0.11 0.00 -1.04 0.00 0.00 56.93 56.05 3hkw s PHE 162 Cb -0.13 0.03 0.15 0.00 -1.21 0.00 0.00 43.02 41.85 3hkw s PHE 162 CO -0.10 -0.21 1.20 -1.25 -1.34 0.00 0.00 175.22 173.52 3hkw s PRO 163 N -0.65 1.28 0.66 1.99 0.04 -1.26 -0.30 135.00 136.76 3hkw s PRO 163 Ca -0.07 -0.40 -0.17 0.00 0.04 0.00 0.00 61.00 60.40 3hkw s PRO 163 Cb -0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3hkw s PRO 163 CO 0.01 -1.93 1.19 0.34 0.04 0.00 0.00 177.00 176.65 3hkw s ASP 164 N -4.75 4.77 0.30 6.66 2.15 -1.26 -4.72 116.67 119.81 3hkw s ASP 164 Ca 0.68 2.32 0.04 0.00 0.43 0.00 0.00 52.55 56.02 3hkw s ASP 164 Cb -0.06 -2.59 0.76 0.00 -0.30 0.00 0.00 42.92 40.73 3hkw s ASP 164 CO 0.50 -1.88 1.64 0.25 -0.17 0.00 0.00 175.17 175.52 3hkw h LEU 165 N 0.27 0.04 -0.87 -1.34 5.85 -1.83 -0.09 115.31 117.34 3hkw h LEU 165 Ca -0.49 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 3hkw h LEU 165 Cb 1.29 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.54 3hkw h LEU 165 CO 0.53 -0.16 0.48 1.23 -0.34 0.00 0.00 178.44 180.18 3hkw h GLY 166 N 0.21 1.29 1.11 3.75 0.00 -1.95 -1.38 103.07 106.11 3hkw h GLY 166 Ca 0.58 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 3hkw h GLY 166 CO -0.66 0.56 -0.04 -2.08 0.00 0.00 0.00 176.54 174.32 3hkw h VAL 167 N 1.21 1.27 -0.57 4.60 2.07 -1.41 -2.63 116.25 120.79 3hkw h VAL 167 Ca 0.31 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3hkw h VAL 167 Cb 0.02 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3hkw h VAL 167 CO -0.05 0.43 0.23 0.03 0.02 0.00 0.00 177.57 178.23 3hkw h ARG 168 N 0.95 0.83 -0.46 1.57 3.08 -0.50 0.15 114.38 119.99 3hkw h ARG 168 Ca 0.16 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3hkw h ARG 168 Cb 0.60 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3hkw h ARG 168 CO 0.04 0.68 0.13 0.28 -1.07 0.00 0.00 179.97 180.03 3hkw h VAL 169 N 0.82 1.23 -0.27 2.04 2.07 -1.14 -2.51 116.25 118.49 3hkw h VAL 169 Ca 0.20 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3hkw h VAL 169 Cb 0.16 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3hkw h VAL 169 CO -0.02 0.28 -0.07 0.00 0.02 0.00 0.00 177.57 177.78 3hkw h GLU 171 N 0.40 0.82 -0.33 0.00 5.08 -0.48 -1.50 114.58 118.57 3hkw h GLU 171 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hkw h GLU 171 Cb 0.38 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3hkw h GLU 171 CO 0.02 0.54 0.21 0.87 -1.00 0.00 0.00 179.01 179.65 3hkw h LYS 172 N 0.84 0.45 -0.30 2.33 1.57 -0.98 0.88 116.57 121.37 3hkw h LYS 172 Ca 0.25 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 3hkw h LYS 172 Cb -0.04 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 3hkw h LYS 172 CO -0.08 0.32 -0.10 0.52 -0.57 0.00 0.00 179.45 179.53 3hkw h MET 173 N 0.44 -0.04 -0.01 3.15 2.86 -0.91 -0.61 114.93 119.82 3hkw h MET 173 Ca 0.12 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 3hkw h MET 173 Cb -0.02 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hkw h MET 173 CO -0.02 -0.03 -0.88 0.00 1.06 0.00 0.00 176.91 177.04 3hkw h ALA 174 N 1.23 0.46 0.00 6.32 0.00 -1.01 -0.49 119.26 125.77 3hkw h ALA 174 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hkw h ALA 174 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hkw h ALA 174 CO -0.33 0.83 0.00 1.28 0.00 0.00 0.00 179.25 181.03 3hkw n LEU 175 N -3.74 0.13 -0.16 0.00 4.77 0.28 -4.75 117.00 113.53 3hkw n LEU 175 Ca -0.05 -0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 55.63 3hkw n LEU 175 Cb 0.80 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.94 3hkw n LEU 175 CO 0.49 0.03 1.03 0.22 -1.33 0.00 0.00 177.39 177.84 3hkw h TYR 176 N 0.00 0.49 -0.62 -1.77 3.20 -1.18 -0.07 116.97 117.02 3hkw h TYR 176 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3hkw h TYR 176 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3hkw h TYR 176 CO 0.00 0.25 0.04 0.22 -1.64 0.00 0.00 178.16 177.03 3hkw h ASP 177 N 0.52 1.03 0.22 -2.11 3.58 -1.79 -1.96 116.42 115.92 3hkw h ASP 177 Ca 0.21 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 3hkw h ASP 177 Cb 0.10 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.87 3hkw h ASP 177 CO -0.13 1.06 -0.11 0.58 -2.88 0.00 0.00 179.24 177.76 3hkw h VAL 178 N 0.98 0.82 0.00 2.25 2.07 -1.67 -2.12 116.25 118.57 3hkw h VAL 178 Ca 0.18 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hkw h VAL 178 Cb 0.51 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hkw h VAL 178 CO 0.02 0.04 0.00 -0.37 0.02 0.00 0.00 177.57 177.29 3hkw h VAL 179 N -0.39 0.00 0.06 2.57 -1.51 -0.94 0.39 116.25 116.43 3hkw h VAL 179 Ca -0.03 -0.32 -0.25 0.00 -1.23 0.00 0.00 66.70 64.87 3hkw h VAL 179 Cb 0.30 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 3hkw h VAL 179 CO 0.05 0.00 -1.21 0.28 -1.23 0.00 0.00 177.57 175.46 3hkw h SER 180 N 0.00 0.18 0.00 4.19 0.02 -1.14 -3.41 113.55 113.40 3hkw h SER 180 Ca 0.00 -0.21 -0.33 0.00 -0.84 0.00 0.00 61.79 60.40 3hkw h SER 180 Cb 0.46 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 3hkw h SER 180 CO 0.00 1.17 -2.25 0.29 -1.14 0.00 0.00 176.83 174.90 3hkw n LYS 181 N -3.39 0.90 -0.07 3.45 5.02 -0.82 -4.67 118.16 118.57 3hkw n LYS 181 Ca -0.06 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3hkw n LYS 181 Cb 0.99 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 34.48 3hkw n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hkw h LEU 182 N 0.00 0.55 -0.52 -0.35 5.85 -1.15 -2.78 115.31 116.90 3hkw h LEU 182 Ca -0.49 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 57.81 3hkw h LEU 182 Cb 1.99 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.82 3hkw h LEU 182 CO -0.01 0.90 0.25 -0.65 -0.34 0.00 0.00 178.44 178.60 3hkw h PRO 183 N 0.20 0.48 -0.23 5.25 0.11 -1.80 -0.58 132.00 135.42 3hkw h PRO 183 Ca 0.04 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 3hkw h PRO 183 Cb 0.74 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3hkw h PRO 183 CO 0.05 0.32 -0.35 0.37 -0.21 0.00 0.00 178.00 178.17 3hkw h GLN 184 N 0.49 0.50 -0.74 1.05 -0.00 -1.87 -0.55 115.11 113.99 3hkw h GLN 184 Ca 0.24 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3hkw h GLN 184 Cb 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.60 3hkw h GLN 184 CO -0.18 0.78 0.44 0.00 0.00 0.00 0.00 178.83 179.88 3hkw h ALA 185 N 1.20 1.39 0.21 3.38 0.00 -1.09 0.52 119.26 124.87 3hkw h ALA 185 Ca 0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 3hkw h ALA 185 Cb 0.82 -0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hkw h ALA 185 CO 0.07 0.53 -1.31 0.28 0.00 0.00 0.00 179.25 178.81 3hkw h VAL 186 N 1.01 1.30 -0.01 0.00 2.07 -0.68 -3.41 116.25 116.54 3hkw h VAL 186 Ca 0.26 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3hkw h VAL 186 Cb -0.04 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3hkw h VAL 186 CO -0.05 0.78 -0.10 0.23 0.02 0.00 0.00 177.57 178.45 3hkw n MET 187 N -3.84 1.53 0.00 1.57 2.81 -0.26 -4.90 117.12 114.03 3hkw n MET 187 Ca -0.17 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.06 3hkw n MET 187 Cb 1.01 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.48 3hkw n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hkw n GLY 188 N 0.66 3.04 0.31 3.03 0.00 0.17 -1.31 105.19 111.09 3hkw n GLY 188 Ca 0.03 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.17 3hkw n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hkw h SER 189 N 0.83 0.00 0.93 1.61 4.64 -1.96 -2.05 113.55 117.54 3hkw h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hkw h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hkw h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3hkw n SER 190 N -2.94 0.33 -4.61 4.97 7.64 -0.42 -4.70 113.62 113.89 3hkw n SER 190 Ca -0.03 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 59.98 3hkw n SER 190 Cb 0.07 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 3hkw n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hkw s TYR 191 N -3.09 2.86 0.30 1.43 5.04 -0.77 -0.55 117.35 122.57 3hkw s TYR 191 Ca 0.09 0.80 0.16 0.00 -2.44 0.00 0.00 57.07 55.69 3hkw s TYR 191 Cb 0.13 -4.30 0.73 0.00 0.35 0.00 0.00 41.96 38.87 3hkw s TYR 191 CO 0.45 -1.20 1.79 0.78 -1.34 0.00 0.00 175.55 176.02 3hkw h GLY 192 N 11.04 0.00 1.44 8.97 0.00 -1.43 -3.17 103.07 119.92 3hkw h GLY 192 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3hkw h GLY 192 CO 1.11 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.34 3hkw n PHE 193 N -3.82 0.00 1.30 5.60 3.72 -1.26 -2.33 117.46 120.66 3hkw n PHE 193 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 3hkw n PHE 193 Cb 0.45 -0.22 0.72 0.00 -0.94 0.00 0.00 39.48 39.49 3hkw n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkw n GLN 194 N -1.22 0.30 -4.28 -1.08 10.64 -1.20 -3.30 117.38 117.24 3hkw n GLN 194 Ca 0.13 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.95 3hkw n GLN 194 Cb 0.17 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.95 3hkw n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hkw s TYR 195 N -2.70 3.19 0.98 2.61 2.02 -0.98 -4.70 117.35 117.77 3hkw s TYR 195 Ca 0.24 0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.96 3hkw s TYR 195 Cb 0.20 -1.87 0.18 0.00 -0.40 0.00 0.00 41.96 40.07 3hkw s TYR 195 CO 0.48 0.38 1.09 -1.54 -1.57 0.00 0.00 175.55 174.38 3hkw s SER 196 N -0.54 2.69 0.22 2.29 1.04 -1.26 -4.74 113.70 113.39 3hkw s SER 196 Ca 0.09 1.36 -0.08 0.00 0.48 0.00 0.00 55.95 57.80 3hkw s SER 196 Cb -0.12 -2.04 0.31 0.00 0.10 0.00 0.00 66.02 64.27 3hkw s SER 196 CO 0.02 -3.12 1.76 -0.65 0.98 0.00 0.00 173.24 172.24 3hkw h PRO 197 N -1.88 0.48 -0.77 4.02 0.11 -1.91 0.16 132.00 132.21 3hkw h PRO 197 Ca -0.53 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3hkw h PRO 197 Cb 1.31 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3hkw h PRO 197 CO 0.55 0.32 0.42 0.78 -0.21 0.00 0.00 178.00 179.86 3hkw h GLY 198 N 0.50 1.15 1.79 -0.55 0.00 -1.45 -1.55 103.07 102.97 3hkw h GLY 198 Ca 0.33 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3hkw h GLY 198 CO -0.29 0.50 -0.55 1.46 0.00 0.00 0.00 176.54 177.66 3hkw h GLN 199 N 1.08 0.22 -0.22 4.80 4.20 -1.61 -2.18 115.11 121.40 3hkw h GLN 199 Ca 0.27 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3hkw h GLN 199 Cb 0.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3hkw h GLN 199 CO -0.04 0.71 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.62 3hkw h ARG 200 N 0.17 0.47 -0.78 1.46 2.43 -0.18 0.37 114.38 118.32 3hkw h ARG 200 Ca 0.00 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 3hkw h ARG 200 Cb 1.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 3hkw h ARG 200 CO 0.08 0.76 0.32 -0.24 -1.51 0.00 0.00 179.97 179.38 3hkw h VAL 201 N 0.17 1.26 -0.48 0.20 3.04 -1.31 -1.64 116.25 117.49 3hkw h VAL 201 Ca 0.05 -0.79 0.04 0.00 -1.01 0.00 0.00 66.70 64.98 3hkw h VAL 201 Cb 0.62 0.32 -0.04 0.00 -2.01 0.00 0.00 31.29 30.19 3hkw h VAL 201 CO 0.04 0.32 0.25 -0.08 -1.01 0.00 0.00 177.57 177.09 3hkw h GLU 202 N 1.12 0.48 -0.24 4.17 4.81 -1.23 -0.49 114.58 123.20 3hkw h GLU 202 Ca 0.26 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 3hkw h GLU 202 Cb 0.20 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3hkw h GLU 202 CO -0.02 0.32 -0.03 0.35 -0.73 0.00 0.00 179.01 178.89 3hkw h PHE 203 N 0.49 -0.07 -0.39 0.92 3.57 -0.51 0.31 116.94 121.27 3hkw h PHE 203 Ca 0.21 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3hkw h PHE 203 Cb 0.10 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3hkw h PHE 203 CO -0.10 -0.07 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.83 3hkw h LEU 204 N 0.04 0.69 -0.34 0.59 3.38 -0.84 0.68 115.31 119.50 3hkw h LEU 204 Ca 0.12 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 3hkw h LEU 204 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hkw h LEU 204 CO -0.22 0.84 -0.08 0.58 0.09 0.00 0.00 178.44 179.64 3hkw h VAL 205 N 0.52 1.28 -0.75 1.22 2.07 -1.00 -0.61 116.25 118.97 3hkw h VAL 205 Ca 0.11 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 3hkw h VAL 205 Cb 0.50 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hkw h VAL 205 CO 0.02 0.37 0.28 1.56 0.02 0.00 0.00 177.57 179.82 3hkw h GLN 206 N 0.44 1.14 -0.50 1.57 4.20 -0.82 -0.26 115.11 120.88 3hkw h GLN 206 Ca 0.09 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3hkw h GLN 206 Cb 0.58 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3hkw h GLN 206 CO 0.03 0.95 0.27 0.00 -0.67 0.00 0.00 178.83 179.41 3hkw h ALA 207 N 1.14 0.65 -0.35 3.87 0.00 -0.65 -1.57 119.26 122.34 3hkw h ALA 207 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hkw h ALA 207 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hkw h ALA 207 CO -0.02 0.18 0.15 2.35 0.00 0.00 0.00 179.25 181.91 3hkw h TRP 208 N 0.67 0.52 0.00 0.00 2.91 -0.75 -2.43 115.95 116.86 3hkw h TRP 208 Ca 0.18 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.16 3hkw h TRP 208 Cb 0.07 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 3hkw h TRP 208 CO -0.01 0.47 0.00 0.87 -1.03 0.00 0.00 178.44 178.74 3hkw h LYS 209 N 0.41 0.00 0.00 2.65 1.57 -0.85 -3.08 116.57 117.28 3hkw h LYS 209 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hkw h LYS 209 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hkw h LYS 209 CO -0.01 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.74 3hkw n SER 210 N -2.99 0.00 -4.86 0.86 3.41 -0.61 -4.77 113.62 104.66 3hkw n SER 210 Ca 0.00 -0.15 -0.33 0.00 -0.26 0.00 0.00 58.87 58.13 3hkw n SER 210 Cb 0.25 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 3hkw n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hkw s LYS 211 N -2.57 3.31 0.05 4.33 -0.14 -1.16 -5.01 119.74 118.54 3hkw s LYS 211 Ca 0.29 -0.38 -0.24 0.00 -1.36 0.00 0.00 55.97 54.27 3hkw s LYS 211 Cb 0.20 -3.02 -0.17 0.00 -1.68 0.00 0.00 37.83 33.17 3hkw s LYS 211 CO 0.46 0.66 1.55 0.87 -0.76 0.00 0.00 175.35 178.14 3hkw h LYS 212 N 3.87 -0.05 -2.78 1.68 1.57 -1.89 -3.38 116.57 115.60 3hkw h LYS 212 Ca -0.49 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.70 3hkw h LYS 212 Cb 1.18 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 3hkw h LYS 212 CO 0.67 0.14 -0.80 0.45 -0.57 0.00 0.00 179.45 179.34 3hkw s SER 213 N -5.32 3.23 0.41 0.86 0.15 -1.26 -5.08 113.70 106.69 3hkw s SER 213 Ca -0.14 -2.50 -0.24 0.00 0.70 0.00 0.00 55.95 53.77 3hkw s SER 213 Cb 0.04 -0.74 -0.08 0.00 -1.71 0.00 0.00 66.02 63.54 3hkw s SER 213 CO 0.66 -0.27 1.15 -2.16 1.20 0.00 0.00 173.24 173.81 3hkw s PRO 214 N 0.60 4.00 0.01 5.44 0.04 -1.26 -0.33 135.00 143.49 3hkw s PRO 214 Ca 0.19 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.02 3hkw s PRO 214 Cb -0.21 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 3hkw s PRO 214 CO -0.01 -0.35 -0.09 1.41 0.04 0.00 0.00 177.00 178.00 3hkw s MET 215 N -2.43 0.70 0.07 4.56 1.75 -0.42 -4.71 119.30 118.83 3hkw s MET 215 Ca 0.59 -0.46 -0.08 0.00 -1.25 0.00 0.00 55.69 54.49 3hkw s MET 215 Cb -0.29 -0.65 -0.00 0.00 2.84 0.00 0.00 34.83 36.73 3hkw s MET 215 CO 0.36 0.17 0.16 0.20 -0.65 0.00 0.00 175.02 175.26 3hkw s GLY 216 N -0.60 0.12 0.13 2.11 0.00 -0.29 -0.17 107.32 108.62 3hkw s GLY 216 Ca 0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 43.95 3hkw s GLY 216 CO 0.00 -0.80 0.41 -0.11 0.00 0.00 0.00 173.10 172.60 3hkw s PHE 217 N -3.62 -0.17 -0.01 1.90 -0.71 -0.25 -0.40 117.98 114.72 3hkw s PHE 217 Ca 0.03 -0.15 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 3hkw s PHE 217 Cb 0.04 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 3hkw s PHE 217 CO -0.10 -0.72 -0.02 -1.54 -1.34 0.00 0.00 175.22 171.50 3hkw s SER 218 N -2.82 4.97 -0.21 1.98 1.04 -1.26 -1.41 113.70 115.99 3hkw s SER 218 Ca 0.04 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 3hkw s SER 218 Cb 0.02 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.87 3hkw s SER 218 CO -0.11 0.29 -0.09 -0.47 0.98 0.00 0.00 173.24 173.84 3hkw s TYR 219 N -1.04 2.91 -0.51 5.02 6.14 -0.61 -4.61 117.35 124.65 3hkw s TYR 219 Ca 0.18 -1.16 -0.14 0.00 0.64 0.00 0.00 57.07 56.59 3hkw s TYR 219 Cb -0.11 -2.05 0.12 0.00 0.42 0.00 0.00 41.96 40.33 3hkw s TYR 219 CO 0.09 -0.63 0.43 0.34 0.64 0.00 0.00 175.55 176.42 3hkw s ASP 220 N 1.42 6.04 0.15 4.32 2.15 -1.26 -4.17 116.67 125.32 3hkw s ASP 220 Ca 0.05 -1.73 -0.30 0.00 0.43 0.00 0.00 52.55 51.01 3hkw s ASP 220 Cb -0.14 -2.15 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 3hkw s ASP 220 CO -0.06 -0.77 1.13 -0.89 -0.17 0.00 0.00 175.17 174.41 3hkw s THR 221 N 1.54 3.87 -0.18 1.71 2.01 -1.26 -1.10 115.64 122.23 3hkw s THR 221 Ca 0.04 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.29 3hkw s THR 221 Cb -0.28 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 3hkw s THR 221 CO 0.03 0.23 1.38 -0.60 -0.69 0.00 0.00 174.62 174.97 3hkw s ARG 222 N -0.05 4.10 -0.91 4.92 3.00 -0.29 -4.01 118.95 125.72 3hkw s ARG 222 Ca 0.52 1.66 -0.08 0.00 -1.00 0.00 0.00 55.73 56.83 3hkw s ARG 222 Cb -0.30 -3.86 0.01 0.00 0.00 0.00 0.00 34.95 30.80 3hkw s ARG 222 CO 0.34 -0.89 0.64 0.00 0.00 0.00 0.00 175.30 175.39 3hkw h PHE 224 N -0.77 0.15 -0.82 0.00 3.04 -1.96 -1.12 116.94 115.46 3hkw h PHE 224 Ca -0.59 0.04 0.11 0.00 3.98 0.00 0.00 57.97 61.51 3hkw h PHE 224 Cb 1.36 0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.82 3hkw h PHE 224 CO 0.26 -0.06 0.46 -0.44 -2.02 0.00 0.00 178.31 176.51 3hkw h ASP 225 N 0.23 0.63 0.48 0.41 3.32 -1.91 0.57 116.42 120.14 3hkw h ASP 225 Ca 0.31 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 3hkw h ASP 225 Cb 0.47 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3hkw h ASP 225 CO -0.42 0.34 -0.13 0.28 -1.72 0.00 0.00 179.24 177.58 3hkw h SER 226 N 0.74 0.00 1.76 6.45 0.02 -1.51 -2.42 113.55 118.58 3hkw h SER 226 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3hkw h SER 226 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3hkw h SER 226 CO -0.28 0.13 -0.04 0.71 -1.14 0.00 0.00 176.83 176.21 3hkw h THR 227 N 0.00 0.00 -2.87 -2.27 1.35 -0.53 -3.44 112.91 105.15 3hkw h THR 227 Ca -0.00 -0.80 -0.55 0.00 -0.55 0.00 0.00 66.41 64.50 3hkw h THR 227 Cb 0.41 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 3hkw h THR 227 CO 0.02 0.00 0.89 -0.69 -0.25 0.00 0.00 175.52 175.49 3hkw s VAL 228 N -3.17 3.96 0.51 6.82 1.01 -1.06 -4.79 120.40 123.68 3hkw s VAL 228 Ca 0.08 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.32 3hkw s VAL 228 Cb 0.08 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3hkw s VAL 228 CO 0.65 -0.06 0.73 0.42 0.00 0.00 0.00 175.10 176.83 3hkw s THR 229 N 3.10 3.08 0.21 3.92 -4.23 -1.26 -3.88 115.64 116.58 3hkw s THR 229 Ca 0.61 -0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 3hkw s THR 229 Cb -0.27 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.59 3hkw s THR 229 CO 0.22 -0.10 1.86 -0.33 -0.54 0.00 0.00 174.62 175.74 3hkw h GLU 230 N 0.21 1.07 -0.54 3.99 5.08 -1.87 -1.71 114.58 120.81 3hkw h GLU 230 Ca -0.43 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 57.80 3hkw h GLU 230 Cb 1.28 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3hkw h GLU 230 CO 0.53 0.74 0.18 0.66 -1.00 0.00 0.00 179.01 180.12 3hkw h SER 231 N 1.08 0.74 -0.60 1.42 4.64 -1.95 -0.49 113.55 118.39 3hkw h SER 231 Ca 0.29 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3hkw h SER 231 Cb -0.06 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 3hkw h SER 231 CO -0.06 0.69 0.37 0.44 -0.87 0.00 0.00 176.83 177.41 3hkw h ASP 232 N 0.79 0.62 -0.09 4.97 3.32 -1.75 0.14 116.42 124.42 3hkw h ASP 232 Ca 0.18 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 3hkw h ASP 232 Cb 0.21 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hkw h ASP 232 CO -0.01 0.44 -0.67 0.40 -1.72 0.00 0.00 179.24 177.68 3hkw h ILE 233 N 0.74 1.30 -0.08 0.35 2.04 -0.90 -0.94 117.51 120.03 3hkw h ILE 233 Ca 0.23 -1.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.12 3hkw h ILE 233 Cb -0.01 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3hkw h ILE 233 CO -0.09 0.60 -0.27 0.03 0.00 0.00 0.00 178.15 178.43 3hkw h ARG 234 N 0.52 0.14 -0.57 2.37 3.08 -0.89 -2.18 114.38 116.85 3hkw h ARG 234 Ca -0.02 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 3hkw h ARG 234 Cb 1.27 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 3hkw h ARG 234 CO 0.13 0.41 -0.07 1.15 -1.07 0.00 0.00 179.97 180.52 3hkw h THR 235 N 0.13 1.27 -0.91 2.04 2.02 -0.38 -1.75 112.91 115.33 3hkw h THR 235 Ca 0.02 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3hkw h THR 235 Cb 0.55 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3hkw h THR 235 CO 0.04 0.44 0.57 1.05 0.37 0.00 0.00 175.52 177.99 3hkw h GLU 236 N 0.94 1.23 -0.61 6.66 4.11 -0.85 -0.61 114.58 125.44 3hkw h GLU 236 Ca 0.15 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 3hkw h GLU 236 Cb 0.64 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3hkw h GLU 236 CO 0.04 0.84 0.31 1.49 0.07 0.00 0.00 179.01 181.77 3hkw h GLU 237 N 1.25 0.86 -0.61 1.06 4.22 -1.11 -0.11 114.58 120.14 3hkw h GLU 237 Ca 0.33 -0.11 -0.05 0.00 0.08 0.00 0.00 59.36 59.61 3hkw h GLU 237 Cb -0.09 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 3hkw h GLU 237 CO -0.07 0.68 0.19 0.00 -2.18 0.00 0.00 179.01 177.63 3hkw h ALA 238 N 1.14 1.19 -0.19 2.92 0.00 -0.46 -1.49 119.26 122.37 3hkw h ALA 238 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hkw h ALA 238 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hkw h ALA 238 CO -0.03 0.57 0.05 0.82 0.00 0.00 0.00 179.25 180.66 3hkw h ILE 239 N 0.89 1.20 -0.82 0.00 2.04 -0.68 -2.88 117.51 117.26 3hkw h ILE 239 Ca 0.20 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.54 3hkw h ILE 239 Cb 0.25 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3hkw h ILE 239 CO -0.01 0.20 0.43 1.88 0.00 0.00 0.00 178.15 180.65 3hkw h TYR 240 N 0.13 0.77 0.00 1.37 0.05 -0.66 -1.21 116.97 117.42 3hkw h TYR 240 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3hkw h TYR 240 Cb 0.26 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3hkw h TYR 240 CO 0.01 0.24 0.00 1.04 -1.05 0.00 0.00 178.16 178.40 3hkw n GLN 241 N -4.83 0.02 0.25 4.88 1.13 -0.60 -2.10 117.38 116.13 3hkw n GLN 241 Ca 0.15 0.21 0.14 0.00 -1.94 0.00 0.00 57.00 55.56 3hkw n GLN 241 Cb 0.36 -1.50 0.60 0.00 0.11 0.00 0.00 30.24 29.81 3hkw n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkw s ASP 244 N -3.39 6.66 0.14 0.00 2.15 0.13 -4.98 116.67 117.39 3hkw s ASP 244 Ca 0.61 0.52 0.07 0.00 0.43 0.00 0.00 52.55 54.18 3hkw s ASP 244 Cb -0.17 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 3hkw s ASP 244 CO 0.55 -1.20 -0.15 -0.76 -0.17 0.00 0.00 175.17 173.44 3hkw s LEU 245 N 4.33 2.43 0.44 -1.34 1.43 -1.26 -1.60 118.68 123.11 3hkw s LEU 245 Ca 0.47 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 3hkw s LEU 245 Cb -0.08 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.42 3hkw s LEU 245 CO 0.30 -0.12 1.32 -0.62 0.23 0.00 0.00 176.35 177.46 3hkw s ASP 246 N -2.63 6.08 0.27 2.29 2.15 -1.26 -4.85 116.67 118.71 3hkw s ASP 246 Ca 0.13 2.68 0.00 0.00 0.43 0.00 0.00 52.55 55.79 3hkw s ASP 246 Cb -0.04 -2.64 0.59 0.00 -0.30 0.00 0.00 42.92 40.53 3hkw s ASP 246 CO 0.04 -1.01 1.73 -0.65 -0.17 0.00 0.00 175.17 175.11 3hkw h PRO 247 N 2.39 0.48 -0.11 4.34 0.11 -2.00 -0.82 132.00 136.40 3hkw h PRO 247 Ca -0.50 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 3hkw h PRO 247 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hkw h PRO 247 CO 0.61 0.32 -0.50 1.96 -0.21 0.00 0.00 178.00 180.19 3hkw h GLN 248 N 0.50 0.28 -0.77 1.05 4.20 -2.00 -2.84 115.11 115.53 3hkw h GLN 248 Ca 0.49 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 3hkw h GLN 248 Cb 0.80 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 3hkw h GLN 248 CO -0.44 0.72 0.44 0.00 -0.67 0.00 0.00 178.83 178.88 3hkw h ALA 249 N 1.26 0.98 -0.89 3.87 0.00 -1.56 -0.90 119.26 122.03 3hkw h ALA 249 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hkw h ALA 249 Cb 0.96 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3hkw h ALA 249 CO 0.08 0.48 0.48 0.00 0.00 0.00 0.00 179.25 180.29 3hkw h ARG 250 N 1.06 1.24 -0.09 0.00 3.08 -1.05 -0.06 114.38 118.55 3hkw h ARG 250 Ca 0.27 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3hkw h ARG 250 Cb 0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 3hkw h ARG 250 CO -0.05 0.91 0.00 0.28 -1.07 0.00 0.00 179.97 180.05 3hkw h VAL 251 N 1.24 1.24 -0.66 2.04 2.07 -1.26 -2.66 116.25 118.26 3hkw h VAL 251 Ca 0.31 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3hkw h VAL 251 Cb 0.04 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3hkw h VAL 251 CO -0.05 0.22 0.31 0.00 0.02 0.00 0.00 177.57 178.07 3hkw h ALA 252 N 0.74 1.30 -0.56 1.67 0.00 -0.92 -0.76 119.26 120.73 3hkw h ALA 252 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hkw h ALA 252 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hkw h ALA 252 CO 0.00 0.54 0.03 0.82 0.00 0.00 0.00 179.25 180.65 3hkw h ILE 253 N 0.94 1.26 -0.26 0.00 2.04 -1.00 0.15 117.51 120.64 3hkw h ILE 253 Ca 0.23 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 3hkw h ILE 253 Cb 0.11 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3hkw h ILE 253 CO -0.03 0.39 0.02 0.50 0.00 0.00 0.00 178.15 179.03 3hkw h LYS 254 N 0.86 0.45 -0.43 2.37 1.63 -1.10 -0.61 116.57 119.74 3hkw h LYS 254 Ca 0.16 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3hkw h LYS 254 Cb 0.50 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 3hkw h LYS 254 CO 0.02 0.60 0.23 0.77 -3.45 0.00 0.00 179.45 177.62 3hkw h SER 255 N 0.24 0.54 -0.91 4.20 0.02 -0.93 -0.41 113.55 116.30 3hkw h SER 255 Ca 0.08 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hkw h SER 255 Cb 0.38 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3hkw h SER 255 CO 0.01 0.48 0.57 -0.07 -1.14 0.00 0.00 176.83 176.68 3hkw h LEU 256 N 0.55 1.07 0.09 5.07 3.38 -0.65 0.15 115.31 124.97 3hkw h LEU 256 Ca 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hkw h LEU 256 Cb 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3hkw h LEU 256 CO -0.02 0.80 -0.04 0.74 0.09 0.00 0.00 178.44 180.01 3hkw h THR 257 N 1.25 1.05 -0.01 0.22 2.02 -0.68 0.62 112.91 117.37 3hkw h THR 257 Ca 0.33 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 3hkw h THR 257 Cb -0.09 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3hkw h THR 257 CO -0.07 0.13 -0.70 -0.33 0.37 0.00 0.00 175.52 174.92 3hkw h GLU 258 N -0.36 0.07 0.00 6.66 4.39 -0.86 -0.75 114.58 123.73 3hkw h GLU 258 Ca -0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hkw h GLU 258 Cb 0.30 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3hkw h GLU 258 CO 0.02 0.74 -1.58 0.54 -1.16 0.00 0.00 179.01 177.57 3hkw n ARG 259 N -3.74 0.61 0.09 2.33 1.74 0.52 -4.70 116.66 113.50 3hkw n ARG 259 Ca -0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3hkw n ARG 259 Cb 0.68 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3hkw n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hkw n LEU 260 N -2.38 0.36 -0.12 0.55 7.94 -0.12 -0.27 117.00 122.97 3hkw n LEU 260 Ca -0.02 0.30 -0.08 0.00 -1.11 0.00 0.00 56.01 55.10 3hkw n LEU 260 Cb 0.55 0.07 0.09 0.00 0.53 0.00 0.00 43.42 44.65 3hkw n LEU 260 CO 0.44 -0.72 0.76 1.88 -1.11 0.00 0.00 177.39 178.63 3hkw h TYR 261 N 0.00 0.95 0.00 1.96 0.05 -0.77 -2.66 116.97 116.50 3hkw h TYR 261 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3hkw h TYR 261 Cb 0.05 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.56 3hkw h TYR 261 CO 0.00 0.93 0.00 1.55 -1.05 0.00 0.00 178.16 179.59 3hkw n VAL 262 N -4.15 0.66 0.00 -2.88 3.14 -0.30 -4.50 118.33 110.30 3hkw n VAL 262 Ca 0.01 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 3hkw n VAL 262 Cb 0.39 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 3hkw n VAL 262 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hkw n GLY 263 N 0.85 0.69 0.00 7.55 0.00 -1.00 -4.24 105.19 109.04 3hkw n GLY 263 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3hkw n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 264 N -1.33 0.82 3.80 -0.02 0.00 -0.68 -4.03 105.19 103.75 3hkw n GLY 264 Ca 0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3hkw n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hkw s PRO 265 N -1.98 3.44 -0.14 1.61 0.04 -1.26 -0.91 135.00 135.80 3hkw s PRO 265 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3hkw s PRO 265 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3hkw s PRO 265 CO 0.00 -0.72 -0.14 -0.51 0.04 0.00 0.00 177.00 175.67 3hkw s LEU 266 N -4.27 2.59 -0.05 -3.56 1.43 -0.04 -2.42 118.68 112.36 3hkw s LEU 266 Ca 0.64 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3hkw s LEU 266 Cb -0.16 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3hkw s LEU 266 CO 0.33 0.12 -0.23 -0.89 0.23 0.00 0.00 176.35 175.92 3hkw s THR 267 N 0.60 1.85 0.92 5.49 2.01 0.16 -0.22 115.64 126.45 3hkw s THR 267 Ca -0.08 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 3hkw s THR 267 Cb -0.16 -1.57 0.20 0.00 0.01 0.00 0.00 72.50 70.99 3hkw s THR 267 CO 0.03 0.52 1.26 0.54 -0.69 0.00 0.00 174.62 176.28 3hkw s ASN 268 N -0.19 3.23 0.60 3.53 2.20 0.00 -1.56 114.94 122.75 3hkw s ASN 268 Ca -0.01 -0.04 0.38 0.00 -0.94 0.00 0.00 52.86 52.25 3hkw s ASN 268 Cb -0.12 -0.01 1.80 0.00 -2.00 0.00 0.00 41.25 40.92 3hkw s ASN 268 CO 0.02 -2.63 2.14 0.77 -2.94 0.00 0.00 177.10 174.46 3hkw h SER 269 N -1.42 0.00 -0.06 3.54 4.64 -1.76 -1.13 113.55 117.36 3hkw h SER 269 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hkw h SER 269 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3hkw h SER 269 CO 0.34 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.59 3hkw n LYS 270 N -3.11 1.54 -0.89 4.77 5.02 -1.26 -4.92 118.16 119.32 3hkw n LYS 270 Ca -0.01 -0.80 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 3hkw n LYS 270 Cb 0.21 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3hkw n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkw n GLY 271 N 1.11 0.53 3.81 0.72 0.00 -0.43 -5.04 105.19 105.89 3hkw n GLY 271 Ca 0.18 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3hkw n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkw s GLU 272 N -0.54 4.23 -0.29 1.61 2.02 -1.26 -4.79 118.70 119.69 3hkw s GLU 272 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 55.51 3hkw s GLU 272 Cb 0.00 -3.02 -0.00 0.00 0.10 0.00 0.00 34.13 31.20 3hkw s GLU 272 CO 0.00 0.49 1.37 1.21 0.02 0.00 0.00 175.26 178.35 3hkw s ASN 273 N -1.47 6.60 0.09 -0.19 3.04 -1.26 -0.82 114.94 120.93 3hkw s ASN 273 Ca 0.38 1.28 0.22 0.00 0.04 0.00 0.00 52.86 54.78 3hkw s ASN 273 Cb -0.18 -2.54 -0.15 0.00 -1.54 0.00 0.00 41.25 36.84 3hkw s ASN 273 CO 0.21 -1.13 0.79 0.00 -3.04 0.00 0.00 177.10 173.93 3hkw n GLY 275 N 1.23 0.22 2.90 0.00 0.00 -1.20 -1.16 105.19 107.18 3hkw n GLY 275 Ca -0.02 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 3hkw n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hkw s TYR 276 N -3.08 -0.05 -0.11 1.61 5.04 0.05 -0.86 117.35 119.95 3hkw s TYR 276 Ca 0.00 0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.75 3hkw s TYR 276 Cb 0.00 -0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.25 3hkw s TYR 276 CO 0.00 -0.05 0.05 0.50 -1.34 0.00 0.00 175.55 174.72 3hkw s ARG 277 N 0.28 3.26 -0.10 4.97 3.52 -0.09 -0.96 118.95 129.83 3hkw s ARG 277 Ca -0.02 -0.31 0.15 0.00 -0.13 0.00 0.00 55.73 55.42 3hkw s ARG 277 Cb -0.03 -2.97 0.34 0.00 -1.56 0.00 0.00 34.95 30.73 3hkw s ARG 277 CO -0.01 0.67 1.16 0.54 -0.81 0.00 0.00 175.30 176.86 3hkw n ARG 278 N 2.27 0.84 -2.13 5.12 1.74 0.19 -1.69 116.66 123.00 3hkw n ARG 278 Ca -0.19 -2.47 -0.02 0.00 -0.77 0.00 0.00 57.85 54.40 3hkw n ARG 278 Cb 0.54 -0.95 -0.01 0.00 -1.02 0.00 0.00 32.46 31.02 3hkw n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkw s ARG 280 N -2.12 4.13 0.05 0.00 6.06 -0.93 -4.55 118.95 121.59 3hkw s ARG 280 Ca 0.04 2.58 -0.30 0.00 -2.50 0.00 0.00 55.73 55.54 3hkw s ARG 280 Cb 0.00 -3.07 -0.05 0.00 0.06 0.00 0.00 34.95 31.89 3hkw s ARG 280 CO 0.03 -0.72 1.11 0.00 -2.50 0.00 0.00 175.30 173.22 3hkw s ALA 281 N 0.99 3.31 -0.25 6.12 0.00 -1.26 -4.77 121.76 125.91 3hkw s ALA 281 Ca 0.73 0.74 0.27 0.00 0.00 0.00 0.00 51.96 53.70 3hkw s ALA 281 Cb -0.49 -3.40 0.81 0.00 0.00 0.00 0.00 23.12 20.04 3hkw s ALA 281 CO 0.34 -0.34 1.77 0.66 0.00 0.00 0.00 175.76 178.20 3hkw h SER 282 N 6.63 0.00 -1.58 0.00 4.64 -1.91 -3.35 113.55 117.98 3hkw h SER 282 Ca -0.42 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.32 3hkw h SER 282 Cb 1.22 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.89 3hkw h SER 282 CO 0.78 0.00 -0.73 0.61 -0.87 0.00 0.00 176.83 176.62 3hkw n GLY 283 N 0.64 5.92 3.49 -0.77 0.00 0.33 -4.50 105.19 110.30 3hkw n GLY 283 Ca 0.03 -2.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.06 3hkw n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hkw s VAL 284 N -5.42 1.87 0.45 1.61 -7.23 -1.19 -4.36 120.40 106.14 3hkw s VAL 284 Ca 0.48 -2.14 0.12 0.00 -1.81 0.00 0.00 61.98 58.63 3hkw s VAL 284 Cb 0.39 -2.60 0.23 0.00 0.56 0.00 0.00 36.38 34.96 3hkw s VAL 284 CO -0.18 -0.22 2.05 0.25 -0.31 0.00 0.00 175.10 176.69 3hkw h LEU 285 N 2.12 0.18 -0.92 1.32 5.85 -1.80 -2.60 115.31 119.46 3hkw h LEU 285 Ca -0.41 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3hkw h LEU 285 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3hkw h LEU 285 CO 0.70 0.21 0.00 0.35 -0.34 0.00 0.00 178.44 179.35 3hkw n THR 286 N -4.43 0.07 -0.03 1.05 -2.24 -1.26 -4.32 114.28 103.12 3hkw n THR 286 Ca -0.01 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 3hkw n THR 286 Cb 0.14 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 3hkw n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hkw h THR 287 N 2.08 1.03 0.02 4.28 2.02 -1.72 0.18 112.91 120.80 3hkw h THR 287 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hkw h THR 287 Cb 0.45 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3hkw h THR 287 CO 0.00 0.04 -0.01 -1.28 0.37 0.00 0.00 175.52 174.64 3hkw h SER 288 N 0.22 -0.03 -0.22 4.18 0.87 -1.75 -0.67 113.55 116.15 3hkw h SER 288 Ca 0.07 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3hkw h SER 288 Cb -0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3hkw h SER 288 CO -0.03 0.35 0.10 0.00 -0.53 0.00 0.00 176.83 176.72 3hkw h GLY 290 N 0.21 -0.05 1.02 0.00 0.00 -0.67 0.72 103.07 104.29 3hkw h GLY 290 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3hkw h GLY 290 CO -0.01 -0.10 0.41 3.43 0.00 0.00 0.00 176.54 180.27 3hkw h ASN 291 N -0.13 1.01 -0.00 0.19 2.35 -0.97 -0.10 115.58 117.92 3hkw h ASN 291 Ca 0.06 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3hkw h ASN 291 Cb 0.22 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hkw h ASN 291 CO -0.14 0.84 0.00 0.74 -1.65 0.00 0.00 177.43 177.21 3hkw h THR 292 N 1.11 1.15 -0.09 2.81 2.02 -0.87 0.11 112.91 119.15 3hkw h THR 292 Ca 0.28 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hkw h THR 292 Cb 0.07 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3hkw h THR 292 CO -0.04 0.12 0.02 -0.07 0.37 0.00 0.00 175.52 175.91 3hkw h LEU 293 N -0.19 0.01 -0.50 2.58 3.38 -0.66 -0.52 115.31 119.40 3hkw h LEU 293 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3hkw h LEU 293 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hkw h LEU 293 CO -0.00 0.02 -0.03 0.74 0.09 0.00 0.00 178.44 179.25 3hkw h THR 294 N 0.06 1.27 -0.42 0.22 2.02 -0.94 -0.65 112.91 114.46 3hkw h THR 294 Ca 0.04 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3hkw h THR 294 Cb 0.03 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3hkw h THR 294 CO -0.05 0.40 0.28 0.00 0.37 0.00 0.00 175.52 176.52 3hkw h TYR 296 N 0.57 0.37 0.08 0.00 5.03 -0.78 0.71 116.97 122.95 3hkw h TYR 296 Ca 0.15 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 3hkw h TYR 296 Cb -0.06 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.10 3hkw h TYR 296 CO -0.05 0.23 -0.04 0.82 -1.32 0.00 0.00 178.16 177.80 3hkw h ILE 297 N 0.40 0.97 -0.49 1.81 2.04 -1.05 0.94 117.51 122.13 3hkw h ILE 297 Ca 0.12 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hkw h ILE 297 Cb -0.03 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3hkw h ILE 297 CO -0.04 0.04 0.22 0.11 0.00 0.00 0.00 178.15 178.49 3hkw h LYS 298 N -0.19 0.71 -0.44 2.37 1.57 -1.30 -1.94 116.57 117.36 3hkw h LYS 298 Ca -0.01 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3hkw h LYS 298 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3hkw h LYS 298 CO 0.02 0.61 -0.00 0.00 -0.57 0.00 0.00 179.45 179.51 3hkw h ALA 299 N 1.07 0.59 -0.62 3.86 0.00 -0.73 0.39 119.26 123.83 3hkw h ALA 299 Ca 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hkw h ALA 299 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hkw h ALA 299 CO -0.02 0.39 0.04 -0.09 0.00 0.00 0.00 179.25 179.56 3hkw h ARG 300 N 0.62 1.07 -0.37 0.00 2.43 -0.70 -0.76 114.38 116.67 3hkw h ARG 300 Ca 0.12 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3hkw h ARG 300 Cb 0.49 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3hkw h ARG 300 CO 0.02 1.02 0.05 0.00 -1.51 0.00 0.00 179.97 179.56 3hkw h ALA 301 N 1.00 0.49 -0.40 2.80 0.00 -1.25 -3.04 119.26 118.86 3hkw h ALA 301 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hkw h ALA 301 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hkw h ALA 301 CO 0.02 0.20 0.20 0.00 0.00 0.00 0.00 179.25 179.67 3hkw h ALA 302 N 0.91 1.61 -0.67 0.00 0.00 -0.60 -1.53 119.26 118.97 3hkw h ALA 302 Ca 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hkw h ALA 302 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hkw h ALA 302 CO 0.01 0.32 0.26 0.00 0.00 0.00 0.00 179.25 179.84 3hkw h ARG 304 N 0.97 0.23 -0.84 0.00 3.08 -1.22 -2.36 114.38 114.23 3hkw h ARG 304 Ca 0.22 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3hkw h ARG 304 Cb 0.20 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3hkw h ARG 304 CO -0.02 0.56 0.54 0.00 -1.07 0.00 0.00 179.97 179.98 3hkw h ALA 305 N 0.67 1.36 0.00 0.04 0.00 -1.11 -2.44 119.26 117.78 3hkw h ALA 305 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hkw h ALA 305 Cb 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hkw h ALA 305 CO 0.01 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3hkw n ALA 306 N -2.41 2.08 -2.01 0.00 0.00 0.08 -4.91 120.51 113.34 3hkw n ALA 306 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 3hkw n ALA 306 Cb 0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 3hkw n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 307 N 0.92 0.23 3.75 0.00 0.00 -0.92 -4.67 105.19 104.50 3hkw n GLY 307 Ca 0.05 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3hkw n GLY 307 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkw s LEU 308 N -3.23 4.49 -0.17 0.99 1.43 -0.93 -5.02 118.68 116.24 3hkw s LEU 308 Ca 0.00 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 55.29 3hkw s LEU 308 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3hkw s LEU 308 CO 0.00 -0.28 0.09 -1.10 0.23 0.00 0.00 176.35 175.29 3hkw s GLN 309 N -0.86 3.91 -1.23 1.70 -1.52 -1.26 -4.62 119.66 115.78 3hkw s GLN 309 Ca 0.49 -0.29 -0.02 0.00 -1.95 0.00 0.00 55.36 53.60 3hkw s GLN 309 Cb -0.33 -3.24 -0.01 0.00 -0.22 0.00 0.00 33.01 29.21 3hkw s GLN 309 CO 0.40 0.37 0.85 -3.47 -0.25 0.00 0.00 175.29 173.19 3hkw n ASP 310 N 3.25 -2.25 -4.75 5.90 2.03 -1.26 -1.04 116.55 118.43 3hkw n ASP 310 Ca -0.17 -0.73 -0.40 0.00 0.52 0.00 0.00 54.79 54.00 3hkw n ASP 310 Cb 0.53 -4.59 -0.05 0.00 -0.72 0.00 0.00 41.12 36.29 3hkw n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hkw s THR 312 N -1.03 2.79 0.05 0.00 2.01 0.98 -4.98 115.64 115.46 3hkw s THR 312 Ca 0.45 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.78 3hkw s THR 312 Cb -0.31 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3hkw s THR 312 CO 0.39 0.53 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.60 3hkw s MET 313 N 0.50 1.96 -0.12 4.92 -1.94 -1.26 -0.71 119.30 122.65 3hkw s MET 313 Ca -0.10 -1.04 -0.01 0.00 -1.71 0.00 0.00 55.69 52.83 3hkw s MET 313 Cb -0.16 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.58 3hkw s MET 313 CO 0.05 0.52 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.36 3hkw s LEU 314 N -1.50 1.14 -0.12 -0.03 2.96 -0.05 -4.30 118.68 116.79 3hkw s LEU 314 Ca 0.14 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3hkw s LEU 314 Cb -0.10 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.83 3hkw s LEU 314 CO 0.05 -0.15 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.04 3hkw s VAL 315 N 1.75 1.86 -0.33 1.68 1.01 0.28 -1.54 120.40 125.11 3hkw s VAL 315 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3hkw s VAL 315 Cb -0.13 -1.65 0.11 0.00 0.00 0.00 0.00 36.38 34.71 3hkw s VAL 315 CO -0.08 0.51 0.12 0.00 0.00 0.00 0.00 175.10 175.66 3hkw n GLY 317 N 4.68 3.85 0.36 0.00 0.00 -1.26 -0.89 105.19 111.93 3hkw n GLY 317 Ca -0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3hkw n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hkw n ASP 318 N 6.30 1.11 -4.68 1.61 5.75 -1.26 -3.75 116.55 121.62 3hkw n ASP 318 Ca 0.00 -1.46 -0.41 0.00 -0.01 0.00 0.00 54.79 52.92 3hkw n ASP 318 Cb 0.00 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 3hkw n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hkw s ASP 319 N -1.83 6.92 -0.07 -1.12 2.15 -0.07 -4.66 116.67 117.99 3hkw s ASP 319 Ca 0.37 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.48 3hkw s ASP 319 Cb 0.19 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.41 3hkw s ASP 319 CO 0.31 -0.28 -0.05 -0.22 -0.17 0.00 0.00 175.17 174.76 3hkw s LEU 320 N 1.62 1.14 -0.08 -1.34 2.96 -1.26 -0.83 118.68 120.89 3hkw s LEU 320 Ca 0.36 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3hkw s LEU 320 Cb -0.17 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 3hkw s LEU 320 CO 0.14 -0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.19 3hkw s VAL 321 N 1.36 2.52 -0.08 1.68 1.01 -0.59 -1.58 120.40 124.72 3hkw s VAL 321 Ca -0.03 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3hkw s VAL 321 Cb -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3hkw s VAL 321 CO -0.03 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 3hkw s VAL 322 N -0.11 1.78 -0.10 2.92 1.01 -0.50 -0.87 120.40 124.53 3hkw s VAL 322 Ca -0.04 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3hkw s VAL 322 Cb -0.14 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3hkw s VAL 322 CO 0.04 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.78 3hkw s ILE 323 N 0.26 2.02 0.28 2.22 1.01 0.11 -1.09 121.20 126.01 3hkw s ILE 323 Ca -0.13 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.56 3hkw s ILE 323 Cb -0.16 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3hkw s ILE 323 CO 0.06 0.55 0.24 0.00 0.00 0.00 0.00 174.94 175.79 3hkw s GLU 325 N -3.70 4.31 0.29 0.00 0.41 -0.20 -1.30 118.70 118.50 3hkw s GLU 325 Ca 0.39 1.15 -0.30 0.00 -0.41 0.00 0.00 54.97 55.81 3hkw s GLU 325 Cb 0.04 -3.59 -0.11 0.00 -1.78 0.00 0.00 34.13 28.69 3hkw s GLU 325 CO 0.21 -0.40 1.52 0.45 -0.49 0.00 0.00 175.26 176.55 3hkw s SER 326 N 1.17 6.47 -0.00 -0.19 0.15 0.55 -4.42 113.70 117.42 3hkw s SER 326 Ca 0.41 2.87 0.19 0.00 0.70 0.00 0.00 55.95 60.12 3hkw s SER 326 Cb -0.17 -2.64 0.55 0.00 -1.71 0.00 0.00 66.02 62.06 3hkw s SER 326 CO 0.12 -0.83 1.46 0.00 1.20 0.00 0.00 173.24 175.19 3hkw n ALA 327 N 1.95 2.34 0.00 5.45 0.00 -1.26 -4.91 120.51 124.09 3hkw n ALA 327 Ca 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3hkw n ALA 327 Cb 0.39 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3hkw n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 328 N 1.29 2.97 0.14 0.00 0.00 -1.26 -4.61 105.19 103.73 3hkw n GLY 328 Ca 0.21 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 3hkw n GLY 328 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hkw h VAL 329 N 0.00 1.09 -0.15 1.61 2.07 -1.99 0.10 116.25 118.98 3hkw h VAL 329 Ca 0.00 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3hkw h VAL 329 Cb 0.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3hkw h VAL 329 CO 0.00 0.09 -0.34 1.56 0.02 0.00 0.00 177.57 178.90 3hkw h GLN 330 N 0.39 0.49 -0.43 1.57 7.50 -2.00 -2.31 115.11 120.32 3hkw h GLN 330 Ca 0.11 -0.33 0.04 0.00 0.50 0.00 0.00 58.65 58.97 3hkw h GLN 330 Cb -0.02 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.51 3hkw h GLN 330 CO -0.02 0.94 0.18 0.93 -1.50 0.00 0.00 178.83 179.36 3hkw h GLU 331 N 0.11 0.36 -0.43 1.46 3.07 -1.79 -1.43 114.58 115.94 3hkw h GLU 331 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3hkw h GLU 331 Cb 0.94 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 3hkw h GLU 331 CO 0.07 0.24 0.28 -0.44 -1.40 0.00 0.00 179.01 177.77 3hkw h ASP 332 N 0.37 0.49 -0.58 1.42 3.32 -0.76 0.14 116.42 120.83 3hkw h ASP 332 Ca 0.19 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3hkw h ASP 332 Cb 0.15 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3hkw h ASP 332 CO -0.17 0.35 0.29 0.00 -1.72 0.00 0.00 179.24 178.00 3hkw h ALA 333 N 1.16 0.74 -0.48 3.45 0.00 -1.09 -0.83 119.26 122.21 3hkw h ALA 333 Ca 0.16 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hkw h ALA 333 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hkw h ALA 333 CO -0.04 0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.34 3hkw h ALA 334 N 1.12 0.80 -0.29 0.00 0.00 -0.90 -2.17 119.26 117.82 3hkw h ALA 334 Ca 0.20 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3hkw h ALA 334 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hkw h ALA 334 CO -0.03 0.66 -0.20 0.66 0.00 0.00 0.00 179.25 180.34 3hkw h SER 335 N 0.82 0.53 -0.30 0.00 4.64 -0.41 -0.73 113.55 118.10 3hkw h SER 335 Ca 0.12 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 3hkw h SER 335 Cb 0.72 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3hkw h SER 335 CO 0.06 0.74 -0.21 0.25 -0.87 0.00 0.00 176.83 176.79 3hkw h LEU 336 N 0.48 0.78 -0.71 5.97 5.85 -0.96 0.13 115.31 126.84 3hkw h LEU 336 Ca 0.08 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 3hkw h LEU 336 Cb 0.62 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3hkw h LEU 336 CO 0.04 0.98 0.08 0.03 -0.34 0.00 0.00 178.44 179.23 3hkw h ARG 337 N 0.68 1.07 -0.68 1.25 3.08 -0.93 -0.43 114.38 118.41 3hkw h ARG 337 Ca 0.10 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3hkw h ARG 337 Cb 0.72 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3hkw h ARG 337 CO 0.05 0.99 0.28 0.00 -1.07 0.00 0.00 179.97 180.23 3hkw h ALA 338 N 1.08 0.88 -0.17 0.04 0.00 -0.81 -0.11 119.26 120.17 3hkw h ALA 338 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hkw h ALA 338 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hkw h ALA 338 CO 0.02 0.49 0.07 0.35 0.00 0.00 0.00 179.25 180.18 3hkw h PHE 339 N 0.95 0.13 -0.99 0.00 3.04 -0.39 -1.03 116.94 118.66 3hkw h PHE 339 Ca 0.23 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.21 3hkw h PHE 339 Cb 0.19 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 3hkw h PHE 339 CO 0.01 0.07 0.65 1.15 -2.02 0.00 0.00 178.31 178.17 3hkw h THR 340 N 0.16 1.20 -0.52 4.41 2.02 -0.85 -0.43 112.91 118.90 3hkw h THR 340 Ca 0.07 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3hkw h THR 340 Cb 0.03 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.22 3hkw h THR 340 CO -0.06 0.23 0.15 -0.33 0.37 0.00 0.00 175.52 175.89 3hkw h GLU 341 N 1.28 0.82 -0.01 6.66 5.08 -0.53 -0.73 114.58 127.14 3hkw h GLU 341 Ca 0.38 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hkw h GLU 341 Cb -0.05 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3hkw h GLU 341 CO -0.11 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 3hkw h ALA 342 N 1.02 0.01 -0.82 3.43 0.00 -0.83 -0.52 119.26 121.54 3hkw h ALA 342 Ca 0.17 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hkw h ALA 342 Cb 0.30 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3hkw h ALA 342 CO -0.00 -0.45 0.49 0.52 0.00 0.00 0.00 179.25 179.82 3hkw h MET 343 N -0.08 0.85 -0.62 0.00 2.86 -0.97 -1.00 114.93 115.98 3hkw h MET 343 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3hkw h MET 343 Cb 0.09 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 3hkw h MET 343 CO -0.00 0.56 0.38 1.15 1.06 0.00 0.00 176.91 180.06 3hkw h THR 344 N 0.88 1.18 -0.65 2.22 2.02 -0.84 0.19 112.91 117.91 3hkw h THR 344 Ca 0.37 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hkw h THR 344 Cb 0.23 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3hkw h THR 344 CO -0.20 0.19 0.41 0.03 0.37 0.00 0.00 175.52 176.31 3hkw h ARG 345 N 0.84 0.87 0.00 6.66 3.08 -0.34 -1.45 114.38 124.05 3hkw h ARG 345 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3hkw h ARG 345 Cb -0.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3hkw h ARG 345 CO -0.04 0.60 0.00 0.66 -1.07 0.00 0.00 179.97 180.12 3hkw n TYR 346 N -4.41 0.00 -2.52 3.04 4.01 -0.45 -0.77 117.16 116.05 3hkw n TYR 346 Ca 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 3hkw n TYR 346 Cb 0.06 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 3hkw n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hkw n SER 347 N -0.63 -4.71 -2.83 7.72 2.88 -0.54 -4.88 113.62 110.62 3hkw n SER 347 Ca 0.06 -0.41 -0.11 0.00 -1.33 0.00 0.00 58.87 57.08 3hkw n SER 347 Cb 0.03 -3.25 0.04 0.00 -0.75 0.00 0.00 64.21 60.28 3hkw n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkw n ALA 348 N -2.50 -0.51 -1.47 -1.46 0.00 0.59 -4.60 120.51 110.56 3hkw n ALA 348 Ca -0.04 -1.80 -0.30 0.00 0.00 0.00 0.00 53.44 51.29 3hkw n ALA 348 Cb 0.57 -1.19 0.09 0.00 0.00 0.00 0.00 19.45 18.92 3hkw n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkw s PRO 349 N 0.10 2.19 0.53 0.00 0.04 -1.26 -3.88 135.00 132.72 3hkw s PRO 349 Ca 0.30 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 3hkw s PRO 349 Cb 0.25 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.88 3hkw s PRO 349 CO -0.15 -1.59 0.81 -1.25 0.04 0.00 0.00 177.00 174.86 3hkw s PRO 350 N -5.07 3.04 0.00 0.56 0.04 -1.26 -1.13 135.00 131.18 3hkw s PRO 350 Ca 0.61 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.50 3hkw s PRO 350 Cb -0.15 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.01 3hkw s PRO 350 CO 0.55 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3hkw n GLY 351 N -2.38 0.43 3.71 0.56 0.00 -0.26 -4.29 105.19 102.97 3hkw n GLY 351 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3hkw n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkw s ASP 352 N -1.73 7.28 0.44 1.61 1.01 -1.26 -4.99 116.67 119.02 3hkw s ASP 352 Ca 0.00 1.54 -0.25 0.00 0.71 0.00 0.00 52.55 54.55 3hkw s ASP 352 Cb 0.00 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 3hkw s ASP 352 CO 0.00 -0.20 1.34 -2.16 0.21 0.00 0.00 175.17 174.37 3hkw s PRO 353 N 0.84 3.75 0.52 8.23 0.04 -1.26 -4.54 135.00 142.58 3hkw s PRO 353 Ca 0.48 2.23 -0.21 0.00 0.04 0.00 0.00 61.00 63.54 3hkw s PRO 353 Cb -0.20 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.64 3hkw s PRO 353 CO 0.25 -0.70 1.17 -1.25 0.04 0.00 0.00 177.00 176.51 3hkw s PRO 354 N -2.43 3.44 -0.08 0.56 0.04 -1.26 -5.02 135.00 130.24 3hkw s PRO 354 Ca 0.61 1.74 0.04 0.00 0.04 0.00 0.00 61.00 63.42 3hkw s PRO 354 Cb -0.40 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 3hkw s PRO 354 CO 0.50 -0.81 -0.21 -0.65 0.04 0.00 0.00 177.00 175.87 3hkw s GLN 355 N -3.06 2.84 0.25 4.56 -1.52 -1.26 -4.97 119.66 116.50 3hkw s GLN 355 Ca 0.70 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 3hkw s GLN 355 Cb -0.27 -2.31 -0.09 0.00 -0.22 0.00 0.00 33.01 30.11 3hkw s GLN 355 CO 0.32 0.32 1.26 -2.14 -0.25 0.00 0.00 175.29 174.79 3hkw s PRO 356 N 0.01 4.44 -0.02 2.91 0.02 -1.26 -4.56 135.00 136.53 3hkw s PRO 356 Ca -0.08 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.06 3hkw s PRO 356 Cb -0.15 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 3hkw s PRO 356 CO 0.05 -0.13 -0.25 -1.21 -0.33 0.00 0.00 177.00 175.14 3hkw s GLU 357 N -0.87 2.04 -0.05 5.54 0.41 0.46 -4.96 118.70 121.26 3hkw s GLU 357 Ca 0.52 -0.88 0.11 0.00 -0.41 0.00 0.00 54.97 54.31 3hkw s GLU 357 Cb -0.36 -1.95 0.32 0.00 -1.78 0.00 0.00 34.13 30.36 3hkw s GLU 357 CO 0.43 0.52 1.26 0.66 -0.49 0.00 0.00 175.26 177.63 3hkw n TYR 358 N 2.51 0.50 -3.77 1.61 4.02 -1.26 -1.14 117.16 119.62 3hkw n TYR 358 Ca -0.16 -0.63 -0.24 0.00 -0.01 0.00 0.00 57.90 56.86 3hkw n TYR 358 Cb 0.51 -0.11 -0.17 0.00 -0.02 0.00 0.00 39.34 39.55 3hkw n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hkw s ASP 359 N -1.36 1.76 0.44 7.72 -1.08 -1.26 -4.99 116.67 117.89 3hkw s ASP 359 Ca 0.25 -0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.27 3hkw s ASP 359 Cb 0.17 -0.48 1.07 0.00 -1.46 0.00 0.00 42.92 42.23 3hkw s ASP 359 CO 0.11 -0.20 1.95 0.25 0.52 0.00 0.00 175.17 177.80 3hkw h LEU 360 N 8.31 0.35 -1.29 -1.34 5.85 -1.97 -1.16 115.31 124.05 3hkw h LEU 360 Ca -0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3hkw h LEU 360 Cb 1.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3hkw h LEU 360 CO 0.28 0.19 0.00 -0.33 -0.34 0.00 0.00 178.44 178.24 3hkw h GLU 361 N 0.38 0.00 -0.01 1.25 5.08 -1.97 -2.74 114.58 116.57 3hkw h GLU 361 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3hkw h GLU 361 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3hkw h GLU 361 CO -0.09 0.00 -0.11 1.28 -1.00 0.00 0.00 179.01 179.09 3hkw n LEU 362 N -2.61 0.99 -4.70 1.33 4.32 -0.44 -4.51 117.00 111.39 3hkw n LEU 362 Ca 0.01 -0.27 -0.38 0.00 -0.02 0.00 0.00 56.01 55.35 3hkw n LEU 362 Cb 0.21 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 3hkw n LEU 362 CO 0.21 0.17 0.18 -0.63 -1.22 0.00 0.00 177.39 176.10 3hkw s ILE 363 N -2.27 5.17 -0.19 -0.08 1.01 -1.03 -5.03 121.20 118.78 3hkw s ILE 363 Ca 0.32 0.92 -0.05 0.00 0.00 0.00 0.00 60.65 61.84 3hkw s ILE 363 Cb 0.20 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3hkw s ILE 363 CO 0.43 0.28 -0.01 -0.89 0.00 0.00 0.00 174.94 174.75 3hkw s THR 364 N 0.98 3.95 -0.06 2.92 2.01 -1.26 -4.39 115.64 119.79 3hkw s THR 364 Ca 0.24 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3hkw s THR 364 Cb -0.15 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.62 3hkw s THR 364 CO 0.10 0.44 0.12 -0.55 -0.69 0.00 0.00 174.62 174.04 3hkw s SER 365 N 0.86 0.09 -1.44 3.53 0.15 0.07 -4.73 113.70 112.23 3hkw s SER 365 Ca 0.01 0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 3hkw s SER 365 Cb -0.14 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.34 3hkw s SER 365 CO 0.02 -0.16 0.69 0.00 1.20 0.00 0.00 173.24 174.98 3hkw n SER 367 N -2.93 -0.03 -4.43 0.00 7.64 -1.26 -4.96 113.62 107.65 3hkw n SER 367 Ca -0.18 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.44 3hkw n SER 367 Cb 0.62 -1.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.15 3hkw n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hkw s SER 368 N -2.38 3.41 0.08 6.43 0.01 -0.34 -4.47 113.70 116.45 3hkw s SER 368 Ca 0.00 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.38 3hkw s SER 368 Cb 0.00 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 3hkw s SER 368 CO 0.00 0.09 -0.08 0.54 0.41 0.00 0.00 173.24 174.20 3hkw s ASN 369 N -2.86 1.20 0.26 2.44 4.22 0.07 -0.75 114.94 119.52 3hkw s ASN 369 Ca 0.23 -0.81 -0.30 0.00 -2.14 0.00 0.00 52.86 49.84 3hkw s ASN 369 Cb -0.07 0.04 -0.09 0.00 1.28 0.00 0.00 41.25 42.41 3hkw s ASN 369 CO 0.11 -0.31 1.06 -0.69 -2.04 0.00 0.00 177.10 175.22 3hkw s VAL 370 N -2.56 3.68 0.29 3.54 1.01 -1.26 -0.86 120.40 124.24 3hkw s VAL 370 Ca 0.04 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.72 3hkw s VAL 370 Cb -0.02 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3hkw s VAL 370 CO -0.01 0.39 0.22 -0.55 0.00 0.00 0.00 175.10 175.14 3hkw s SER 371 N -0.88 1.22 0.02 3.32 0.15 -0.07 -4.41 113.70 113.04 3hkw s SER 371 Ca 0.44 -1.62 0.06 0.00 0.70 0.00 0.00 55.95 55.52 3hkw s SER 371 Cb -0.30 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 3hkw s SER 371 CO 0.38 -0.97 -0.17 -0.69 1.20 0.00 0.00 173.24 172.99 3hkw s VAL 372 N -3.68 1.34 0.12 4.45 1.01 -1.26 -1.97 120.40 120.41 3hkw s VAL 372 Ca 0.39 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3hkw s VAL 372 Cb 0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3hkw s VAL 372 CO 0.21 0.21 0.11 0.00 0.00 0.00 0.00 175.10 175.64 3hkw n ALA 373 N 2.21 0.18 -2.50 5.51 0.00 -0.59 -3.61 120.51 121.71 3hkw n ALA 373 Ca -0.16 -0.66 -0.25 0.00 0.00 0.00 0.00 53.44 52.37 3hkw n ALA 373 Cb 0.54 0.53 -0.14 0.00 0.00 0.00 0.00 19.45 20.38 3hkw n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hkw s HIS 374 N -2.83 1.79 0.55 0.00 3.76 -0.21 0.06 115.29 118.41 3hkw s HIS 374 Ca 0.13 -0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 3hkw s HIS 374 Cb 0.00 -1.05 0.12 0.00 1.11 0.00 0.00 32.58 32.76 3hkw s HIS 374 CO 0.09 0.11 0.74 -0.40 -0.85 0.00 0.00 174.74 174.44 3hkw n ASP 375 N 1.73 0.17 -0.01 1.40 5.68 -0.22 -0.83 116.55 124.46 3hkw n ASP 375 Ca -0.18 -1.34 0.14 0.00 -0.50 0.00 0.00 54.79 52.92 3hkw n ASP 375 Cb 0.53 -0.56 0.58 0.00 -1.14 0.00 0.00 41.12 40.53 3hkw n ASP 375 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3hkw h GLY 376 N -0.92 0.33 -1.81 6.12 0.00 -1.91 -0.88 103.07 104.00 3hkw h GLY 376 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hkw h GLY 376 CO 0.18 0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.78 3hkw n ALA 377 N -2.56 2.43 -0.74 3.60 0.00 -1.26 -4.94 120.51 117.04 3hkw n ALA 377 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3hkw n ALA 377 Cb 0.41 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3hkw n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 378 N 1.34 0.77 3.74 0.00 0.00 -0.33 -5.04 105.19 105.66 3hkw n GLY 378 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hkw n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkw s LYS 379 N -0.26 4.52 0.24 1.61 2.20 -1.26 -4.71 119.74 122.07 3hkw s LYS 379 Ca 0.00 1.87 -0.31 0.00 -0.36 0.00 0.00 55.97 57.16 3hkw s LYS 379 Cb 0.00 -3.23 -0.12 0.00 -1.51 0.00 0.00 37.83 32.97 3hkw s LYS 379 CO 0.00 -0.03 1.65 0.54 -0.36 0.00 0.00 175.35 177.15 3hkw n ARG 380 N 2.20 2.67 -4.47 4.03 1.74 -1.26 -1.06 116.66 120.52 3hkw n ARG 380 Ca 0.03 0.96 -0.26 0.00 -0.77 0.00 0.00 57.85 57.81 3hkw n ARG 380 Cb 0.45 -2.77 -0.17 0.00 -1.02 0.00 0.00 32.46 28.95 3hkw n ARG 380 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hkw s VAL 381 N 0.68 1.18 0.11 1.55 1.01 0.11 -4.89 120.40 120.15 3hkw s VAL 381 Ca 0.71 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 3hkw s VAL 381 Cb -0.52 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 3hkw s VAL 381 CO 0.39 0.37 0.55 -0.31 0.00 0.00 0.00 175.10 176.10 3hkw s TYR 382 N 0.88 3.69 0.13 5.22 2.02 -1.26 -1.54 117.35 126.50 3hkw s TYR 382 Ca -0.10 1.14 -0.13 0.00 -0.37 0.00 0.00 57.07 57.61 3hkw s TYR 382 Cb -0.15 -2.41 0.02 0.00 -0.40 0.00 0.00 41.96 39.01 3hkw s TYR 382 CO 0.01 0.51 0.34 1.52 -1.57 0.00 0.00 175.55 176.36 3hkw s TYR 383 N -1.30 0.02 -0.11 2.71 1.13 -0.83 -4.97 117.35 114.00 3hkw s TYR 383 Ca 0.33 -0.38 -0.10 0.00 -1.41 0.00 0.00 57.07 55.51 3hkw s TYR 383 Cb -0.17 0.14 -0.05 0.00 -1.10 0.00 0.00 41.96 40.78 3hkw s TYR 383 CO 0.19 -0.70 0.22 -0.51 -2.51 0.00 0.00 175.55 172.24 3hkw s LEU 384 N -2.86 4.36 0.38 -3.49 1.43 -1.26 -0.90 118.68 116.34 3hkw s LEU 384 Ca 0.07 0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 3hkw s LEU 384 Cb 0.02 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3hkw s LEU 384 CO -0.08 0.30 0.22 0.28 0.23 0.00 0.00 176.35 177.30 3hkw s THR 385 N -0.58 0.24 0.20 5.49 -1.32 -0.04 -4.76 115.64 114.87 3hkw s THR 385 Ca 0.16 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.44 3hkw s THR 385 Cb -0.13 -2.39 0.04 0.00 -1.51 0.00 0.00 72.50 68.51 3hkw s THR 385 CO 0.05 0.00 0.60 0.00 -2.21 0.00 0.00 174.62 173.06 3hkw s ARG 386 N -3.52 1.45 0.13 7.08 1.70 -1.26 -0.75 118.95 123.77 3hkw s ARG 386 Ca 0.32 -0.77 -0.31 0.00 -0.47 0.00 0.00 55.73 54.50 3hkw s ARG 386 Cb 0.02 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.86 3hkw s ARG 386 CO 0.22 -0.63 1.75 0.34 -1.08 0.00 0.00 175.30 175.90 3hkw s ASP 387 N -2.84 6.47 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.18 3hkw s ASP 387 Ca 0.07 2.70 0.16 0.00 -0.52 0.00 0.00 52.55 54.96 3hkw s ASP 387 Cb -0.02 -2.57 0.79 0.00 -1.46 0.00 0.00 42.92 39.66 3hkw s ASP 387 CO -0.04 -0.96 1.53 -0.81 0.52 0.00 0.00 175.17 175.42 3hkw n PRO 388 N 5.23 1.24 0.27 4.34 -0.04 -1.26 -4.35 135.00 140.42 3hkw n PRO 388 Ca 0.17 -0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.11 3hkw n PRO 388 Cb 0.38 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 3hkw n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hkw h THR 389 N 0.69 0.40 -0.21 0.52 2.02 -1.96 -0.39 112.91 113.98 3hkw h THR 389 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3hkw h THR 389 Cb 0.15 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3hkw h THR 389 CO 0.00 0.00 0.01 0.74 0.37 0.00 0.00 175.52 176.64 3hkw h THR 390 N -0.73 1.24 -0.83 3.16 2.02 -1.94 -0.85 112.91 114.98 3hkw h THR 390 Ca -0.05 -0.82 0.17 0.00 0.77 0.00 0.00 66.41 66.47 3hkw h THR 390 Cb 0.59 1.37 -0.10 0.00 -1.74 0.00 0.00 68.15 68.27 3hkw h THR 390 CO 0.05 0.25 0.37 -0.65 0.37 0.00 0.00 175.52 175.92 3hkw h PRO 391 N 0.14 0.47 -0.31 6.66 0.11 -1.80 -0.88 132.00 136.40 3hkw h PRO 391 Ca 0.06 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.97 3hkw h PRO 391 Cb 0.36 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3hkw h PRO 391 CO 0.01 0.31 -0.50 -0.07 -0.21 0.00 0.00 178.00 177.54 3hkw h LEU 392 N 0.48 0.97 -0.33 2.35 3.38 -0.67 -0.65 115.31 120.85 3hkw h LEU 392 Ca 0.48 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hkw h LEU 392 Cb 0.78 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3hkw h LEU 392 CO -0.44 1.30 0.20 0.00 0.09 0.00 0.00 178.44 179.60 3hkw h ALA 393 N 0.70 0.41 -0.65 1.53 0.00 -0.80 -0.78 119.26 119.67 3hkw h ALA 393 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hkw h ALA 393 Cb 1.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3hkw h ALA 393 CO 0.11 -0.09 0.20 0.00 0.00 0.00 0.00 179.25 179.48 3hkw h ARG 394 N 0.42 1.02 -0.94 0.00 3.08 -1.12 -2.45 114.38 114.39 3hkw h ARG 394 Ca 0.12 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hkw h ARG 394 Cb -0.00 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3hkw h ARG 394 CO -0.02 0.89 0.61 0.00 -1.07 0.00 0.00 179.97 180.38 3hkw h ALA 395 N 1.08 1.31 -0.42 0.04 0.00 -0.79 0.30 119.26 120.78 3hkw h ALA 395 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hkw h ALA 395 Cb 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hkw h ALA 395 CO -0.01 0.63 0.04 0.00 0.00 0.00 0.00 179.25 179.92 3hkw h ALA 396 N 1.40 0.57 -0.63 0.00 0.00 -0.90 -0.86 119.26 118.83 3hkw h ALA 396 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hkw h ALA 396 Cb -0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3hkw h ALA 396 CO -0.07 0.31 0.37 2.35 0.00 0.00 0.00 179.25 182.21 3hkw h TRP 397 N 0.57 0.85 0.00 0.00 2.91 -0.99 -1.58 115.95 117.71 3hkw h TRP 397 Ca 0.13 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.13 3hkw h TRP 397 Cb 0.42 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 3hkw h TRP 397 CO 0.03 0.59 -0.02 0.93 -1.03 0.00 0.00 178.44 178.95 3hkw h GLU 398 N 0.86 0.00 0.16 2.65 5.08 -0.70 -1.47 114.58 121.17 3hkw h GLU 398 Ca 0.23 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.28 3hkw h GLU 398 Cb 0.00 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.28 3hkw h GLU 398 CO -0.04 0.02 -1.31 1.15 -1.00 0.00 0.00 179.01 177.82 3hkw h THR 399 N 0.00 1.33 -0.22 1.13 2.02 -0.55 -3.37 112.91 113.25 3hkw h THR 399 Ca -0.00 -2.65 -0.15 0.00 0.77 0.00 0.00 66.41 64.38 3hkw h THR 399 Cb 0.44 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 3hkw h THR 399 CO 0.00 0.80 -0.46 0.00 0.37 0.00 0.00 175.52 176.22 3hkw h ALA 400 N 0.32 0.78 -3.31 6.16 0.00 -0.42 -3.44 119.26 119.35 3hkw h ALA 400 Ca -0.20 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.02 3hkw h ALA 400 Cb 2.00 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 19.45 3hkw h ALA 400 CO 0.24 0.66 -0.72 1.03 0.00 0.00 0.00 179.25 180.47 3hkw s ARG 401 N -4.14 0.27 -0.01 0.00 1.81 -0.64 -4.98 118.95 111.26 3hkw s ARG 401 Ca -0.07 -0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 53.21 3hkw s ARG 401 Cb 0.12 -0.03 -0.06 0.00 -0.45 0.00 0.00 34.95 34.53 3hkw s ARG 401 CO 0.83 -0.01 1.49 -1.58 -0.68 0.00 0.00 175.30 175.36 3hkw s HIS 402 N -0.91 2.60 0.02 -0.53 5.65 -1.26 -4.46 115.29 116.40 3hkw s HIS 402 Ca -0.09 0.61 0.08 0.00 0.25 0.00 0.00 55.06 55.91 3hkw s HIS 402 Cb -0.06 -3.76 -0.03 0.00 -1.18 0.00 0.00 32.58 27.55 3hkw s HIS 402 CO -0.00 -2.94 -0.21 0.95 -0.65 0.00 0.00 174.74 171.88 3hkw s THR 403 N 2.85 2.51 0.25 0.89 -4.23 -1.26 -5.04 115.64 111.60 3hkw s THR 403 Ca 0.67 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 3hkw s THR 403 Cb -0.33 -2.00 0.15 0.00 1.34 0.00 0.00 72.50 71.66 3hkw s THR 403 CO 0.27 0.41 1.79 1.55 -0.54 0.00 0.00 174.62 178.11 3hkw h PRO 404 N 4.85 1.00 -5.71 3.99 0.13 -1.95 -3.41 132.00 130.89 3hkw h PRO 404 Ca -0.46 -0.20 -0.68 0.00 -0.87 0.00 0.00 66.00 63.78 3hkw h PRO 404 Cb 1.15 -0.15 -0.31 0.00 0.13 0.00 0.00 31.00 31.82 3hkw h PRO 404 CO 0.46 0.86 -0.86 0.08 -0.23 0.00 0.00 178.00 178.32 3hkw s VAL 405 N -5.34 2.27 -0.45 1.56 1.01 -1.26 -4.44 120.40 113.74 3hkw s VAL 405 Ca -0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 3hkw s VAL 405 Cb 0.15 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.76 3hkw s VAL 405 CO 0.82 0.56 0.34 0.20 0.00 0.00 0.00 175.10 177.02 3hkw s ASN 406 N 0.04 5.85 0.42 3.32 0.01 0.01 -4.94 114.94 119.65 3hkw s ASN 406 Ca -0.09 -1.55 0.09 0.00 -0.71 0.00 0.00 52.86 50.61 3hkw s ASN 406 Cb -0.15 -2.07 0.90 0.00 0.41 0.00 0.00 41.25 40.34 3hkw s ASN 406 CO 0.06 -0.63 2.03 0.77 -1.51 0.00 0.00 177.10 177.82 3hkw h SER 407 N 8.56 0.34 -0.87 -1.22 4.64 -1.93 -2.70 113.55 120.38 3hkw h SER 407 Ca -0.25 -0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.12 3hkw h SER 407 Cb 1.09 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.03 3hkw h SER 407 CO 0.84 0.30 0.53 4.11 -0.87 0.00 0.00 176.83 181.74 3hkw h TRP 408 N 0.38 0.97 -0.28 4.77 5.08 -1.90 0.17 115.95 125.14 3hkw h TRP 408 Ca 0.10 0.03 -0.16 0.00 1.08 0.00 0.00 58.89 59.93 3hkw h TRP 408 Cb 0.07 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 25.92 3hkw h TRP 408 CO 0.00 0.45 -0.46 1.25 -1.28 0.00 0.00 178.44 178.41 3hkw h LEU 409 N 0.92 0.89 -0.98 0.11 5.85 -1.86 -0.47 115.31 119.77 3hkw h LEU 409 Ca 0.40 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hkw h LEU 409 Cb 0.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3hkw h LEU 409 CO -0.21 1.24 0.43 1.23 -0.34 0.00 0.00 178.44 180.80 3hkw h GLY 410 N 0.57 1.23 1.25 3.75 0.00 -1.42 -1.65 103.07 106.81 3hkw h GLY 410 Ca 0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 3hkw h GLY 410 CO 0.10 0.54 -0.15 3.43 0.00 0.00 0.00 176.54 180.47 3hkw h ASN 411 N 1.15 0.88 -0.58 0.19 2.35 -0.42 0.20 115.58 119.35 3hkw h ASN 411 Ca 0.29 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3hkw h ASN 411 Cb 0.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3hkw h ASN 411 CO -0.04 1.02 0.22 0.40 -1.65 0.00 0.00 177.43 177.38 3hkw h ILE 412 N 0.78 1.23 -0.15 2.81 2.04 -0.89 0.61 117.51 123.94 3hkw h ILE 412 Ca 0.12 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3hkw h ILE 412 Cb 0.67 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3hkw h ILE 412 CO 0.05 0.28 0.05 0.40 0.00 0.00 0.00 178.15 178.92 3hkw h ILE 413 N 0.80 1.18 0.00 -0.67 2.04 -1.06 0.29 117.51 120.10 3hkw h ILE 413 Ca 0.19 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 3hkw h ILE 413 Cb 0.21 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3hkw h ILE 413 CO -0.01 0.17 -0.64 0.24 0.00 0.00 0.00 178.15 177.90 3hkw h MET 414 N 0.06 0.00 -0.03 2.37 2.86 -0.89 -3.32 114.93 115.98 3hkw h MET 414 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3hkw h MET 414 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3hkw h MET 414 CO -0.00 0.45 -0.19 1.19 1.06 0.00 0.00 176.91 179.42 3hkw n PHE 415 N -3.16 0.11 -0.34 -0.22 3.72 0.20 -4.85 117.46 112.91 3hkw n PHE 415 Ca 0.00 -1.21 0.21 0.00 -0.05 0.00 0.00 57.45 56.41 3hkw n PHE 415 Cb 0.74 -0.21 0.44 0.00 -0.94 0.00 0.00 39.48 39.51 3hkw n PHE 415 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkw h ALA 416 N 0.51 1.90 0.00 4.37 0.00 -1.04 -0.63 119.26 124.37 3hkw h ALA 416 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hkw h ALA 416 Cb 1.06 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hkw h ALA 416 CO 0.03 -0.46 0.00 -2.30 0.00 0.00 0.00 179.25 176.53 3hkw n PRO 417 N -4.98 0.01 -2.26 0.00 -0.02 -1.26 -4.40 135.00 122.07 3hkw n PRO 417 Ca 0.30 0.15 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 3hkw n PRO 417 Cb 0.89 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.85 3hkw n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hkw s THR 418 N -3.01 3.84 0.28 3.45 -4.23 -0.24 -4.93 115.64 110.80 3hkw s THR 418 Ca 0.10 0.98 0.07 0.00 -1.18 0.00 0.00 61.69 61.65 3hkw s THR 418 Cb 0.14 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.56 3hkw s THR 418 CO 0.38 -0.41 1.65 0.17 -0.54 0.00 0.00 174.62 175.88 3hkw h LEU 419 N 0.91 0.21 -0.15 4.79 8.10 -1.89 -2.39 115.31 124.88 3hkw h LEU 419 Ca -0.48 -0.10 -0.23 0.00 0.11 0.00 0.00 57.88 57.18 3hkw h LEU 419 Cb 1.22 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 41.39 3hkw h LEU 419 CO 0.58 0.67 -0.84 4.11 -4.11 0.00 0.00 178.44 178.86 3hkw h TRP 420 N 0.16 1.01 -0.52 0.17 5.08 -1.92 -0.83 115.95 119.09 3hkw h TRP 420 Ca 0.01 -0.47 -0.09 0.00 1.08 0.00 0.00 58.89 59.42 3hkw h TRP 420 Cb 0.93 -0.15 -0.02 0.00 -3.00 0.00 0.00 29.16 26.92 3hkw h TRP 420 CO 0.01 1.30 -0.03 0.00 -1.28 0.00 0.00 178.44 178.44 3hkw h ALA 421 N 0.57 0.98 0.07 0.11 0.00 -1.77 -1.56 119.26 117.65 3hkw h ALA 421 Ca -0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hkw h ALA 421 Cb 1.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hkw h ALA 421 CO 0.17 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 180.00 3hkw h ARG 422 N 0.82 -0.09 0.07 0.00 3.08 -1.45 0.21 114.38 117.02 3hkw h ARG 422 Ca 0.15 0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.96 3hkw h ARG 422 Cb 0.53 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hkw h ARG 422 CO 0.03 0.48 -1.09 0.52 -1.07 0.00 0.00 179.97 178.85 3hkw h MET 423 N -0.80 0.28 0.00 0.04 2.86 -1.20 -3.32 114.93 112.79 3hkw h MET 423 Ca -0.01 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3hkw h MET 423 Cb 0.61 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3hkw h MET 423 CO 0.02 1.13 -0.80 -0.89 1.06 0.00 0.00 176.91 177.43 3hkw n ILE 424 N -3.60 1.42 -0.08 -1.22 5.41 -0.63 -4.23 119.36 116.44 3hkw n ILE 424 Ca -0.07 0.20 -0.10 0.00 1.00 0.00 0.00 62.75 63.78 3hkw n ILE 424 Cb 0.93 -2.19 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 3hkw n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hkw h LEU 425 N -0.80 0.38 -0.18 1.39 3.38 -1.25 0.49 115.31 118.72 3hkw h LEU 425 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hkw h LEU 425 Cb 0.80 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hkw h LEU 425 CO 0.00 0.45 0.06 0.24 0.09 0.00 0.00 178.44 179.28 3hkw h MET 426 N 0.28 0.28 0.02 1.13 2.86 -1.06 -0.67 114.93 117.78 3hkw h MET 426 Ca 0.09 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3hkw h MET 426 Cb 0.19 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3hkw h MET 426 CO -0.01 0.38 -0.03 1.15 1.06 0.00 0.00 176.91 179.46 3hkw h THR 427 N 0.13 0.92 0.09 2.22 2.02 -1.63 -0.69 112.91 115.97 3hkw h THR 427 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3hkw h THR 427 Cb 0.21 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3hkw h THR 427 CO -0.00 0.00 -0.04 -0.74 0.37 0.00 0.00 175.52 175.10 3hkw h HIS 428 N -0.07 -0.11 -0.10 3.16 6.17 -0.82 -1.61 115.15 121.77 3hkw h HIS 428 Ca 0.01 -0.00 -0.17 0.00 0.71 0.00 0.00 60.37 60.91 3hkw h HIS 428 Cb 0.08 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 3hkw h HIS 428 CO -0.10 -0.02 -0.66 0.74 0.71 0.00 0.00 177.93 178.60 3hkw h PHE 429 N -0.18 0.54 -0.38 5.26 0.04 -1.05 -0.05 116.94 121.12 3hkw h PHE 429 Ca -0.01 -0.22 -0.07 0.00 2.80 0.00 0.00 57.97 60.47 3hkw h PHE 429 Cb 0.14 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3hkw h PHE 429 CO -0.05 0.95 -0.06 0.74 -0.60 0.00 0.00 178.31 179.29 3hkw h PHE 430 N 0.29 0.68 -0.54 -0.55 -1.00 -1.15 0.16 116.94 114.84 3hkw h PHE 430 Ca -0.02 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 3hkw h PHE 430 Cb 1.22 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.56 3hkw h PHE 430 CO 0.04 0.69 0.31 1.03 -1.61 0.00 0.00 178.31 178.77 3hkw h SER 431 N 0.60 0.66 -0.38 2.17 0.87 -0.84 -1.34 113.55 115.28 3hkw h SER 431 Ca 0.11 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3hkw h SER 431 Cb 0.46 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3hkw h SER 431 CO 0.02 0.54 -0.13 0.58 -0.53 0.00 0.00 176.83 177.31 3hkw h VAL 432 N 0.73 1.28 -0.67 2.23 2.07 -0.70 -1.60 116.25 119.59 3hkw h VAL 432 Ca 0.19 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 3hkw h VAL 432 Cb 0.01 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3hkw h VAL 432 CO -0.03 0.41 0.10 -0.07 0.02 0.00 0.00 177.57 178.00 3hkw h LEU 433 N 0.57 1.06 0.17 2.57 3.38 -0.85 0.15 115.31 122.37 3hkw h LEU 433 Ca 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hkw h LEU 433 Cb 0.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hkw h LEU 433 CO 0.05 1.06 -0.11 0.40 0.09 0.00 0.00 178.44 179.92 3hkw h ILE 434 N 1.03 0.77 -0.67 1.22 2.04 -1.19 0.73 117.51 121.44 3hkw h ILE 434 Ca 0.20 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 3hkw h ILE 434 Cb 0.45 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3hkw h ILE 434 CO 0.01 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.52 3hkw h ALA 435 N 0.55 0.90 -0.06 1.87 0.00 -0.93 -2.08 119.26 119.51 3hkw h ALA 435 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hkw h ALA 435 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hkw h ALA 435 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 3hkw n ARG 436 N -4.82 1.62 -3.57 0.00 1.74 0.01 -4.94 116.66 106.70 3hkw n ARG 436 Ca 0.09 -0.91 -0.20 0.00 -0.77 0.00 0.00 57.85 56.05 3hkw n ARG 436 Cb 0.20 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 30.26 3hkw n ARG 436 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hkw n ASP 437 N 0.12 -2.47 -0.06 0.55 2.03 -0.40 -4.93 116.55 111.38 3hkw n ASP 437 Ca 0.18 -0.68 0.05 0.00 0.52 0.00 0.00 54.79 54.86 3hkw n ASP 437 Cb 0.32 -4.71 0.07 0.00 -0.72 0.00 0.00 41.12 36.08 3hkw n ASP 437 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hkw n GLN 438 N -4.32 1.87 -0.02 -0.67 6.02 0.11 -4.78 117.38 115.60 3hkw n GLN 438 Ca -0.24 -1.95 0.09 0.00 -0.01 0.00 0.00 57.00 54.89 3hkw n GLN 438 Cb 0.65 -1.19 0.49 0.00 1.02 0.00 0.00 30.24 31.21 3hkw n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hkw h LEU 439 N 0.00 0.36 -0.61 1.08 3.38 -1.92 -2.37 115.31 115.24 3hkw h LEU 439 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hkw h LEU 439 Cb 0.81 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hkw h LEU 439 CO 0.00 0.24 -0.17 -0.62 0.09 0.00 0.00 178.44 177.98 3hkw n GLU 440 N -4.48 1.06 -2.98 1.13 -0.58 -1.26 -4.24 120.64 109.30 3hkw n GLU 440 Ca 0.06 -0.61 -0.41 0.00 -0.42 0.00 0.00 57.16 55.78 3hkw n GLU 440 Cb 0.23 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.56 3hkw n GLU 440 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3hkw s GLN 441 N -2.35 4.25 0.47 3.49 2.00 -0.90 -4.99 119.66 121.64 3hkw s GLN 441 Ca 0.29 0.85 -0.23 0.00 -2.00 0.00 0.00 55.36 54.27 3hkw s GLN 441 Cb 0.20 -3.58 -0.07 0.00 0.80 0.00 0.00 33.01 30.36 3hkw s GLN 441 CO 0.46 -0.31 1.19 0.00 -0.50 0.00 0.00 175.29 176.13 3hkw s ALA 442 N 2.12 2.95 0.05 1.58 0.00 -1.26 -4.48 121.76 122.72 3hkw s ALA 442 Ca 0.34 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.33 3hkw s ALA 442 Cb -0.16 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3hkw s ALA 442 CO 0.11 -0.75 -0.13 -0.51 0.00 0.00 0.00 175.76 174.48 3hkw s LEU 443 N -3.11 2.22 0.05 0.00 1.43 0.17 -4.87 118.68 114.57 3hkw s LEU 443 Ca 0.65 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 53.01 3hkw s LEU 443 Cb -0.30 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 3hkw s LEU 443 CO 0.36 -0.03 0.65 -1.81 0.23 0.00 0.00 176.35 175.75 3hkw s ASP 444 N -1.39 7.11 0.34 2.29 1.01 -1.26 -0.67 116.67 124.11 3hkw s ASP 444 Ca -0.01 1.32 -0.01 0.00 0.71 0.00 0.00 52.55 54.56 3hkw s ASP 444 Cb -0.09 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 3hkw s ASP 444 CO 0.02 0.14 0.45 0.00 0.21 0.00 0.00 175.17 175.98 3hkw s GLU 446 N -3.08 1.75 -0.15 0.00 2.02 -1.26 -0.65 118.70 117.33 3hkw s GLU 446 Ca 0.32 -1.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 3hkw s GLU 446 Cb -0.00 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.41 3hkw s GLU 446 CO 0.22 0.49 -0.02 0.42 0.02 0.00 0.00 175.26 176.38 3hkw s ILE 447 N -0.75 0.83 -1.56 -1.63 1.01 -0.37 -4.62 121.20 114.10 3hkw s ILE 447 Ca 0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 3hkw s ILE 447 Cb -0.10 -1.07 0.10 0.00 0.01 0.00 0.00 42.46 41.40 3hkw s ILE 447 CO 0.01 0.08 0.91 -1.22 0.00 0.00 0.00 174.94 174.73 3hkw n TYR 448 N 4.97 -2.13 0.00 3.97 4.01 -1.26 -2.28 117.16 124.43 3hkw n TYR 448 Ca -0.10 0.87 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 3hkw n TYR 448 Cb 0.48 -3.74 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 3hkw n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkw n GLY 449 N -1.63 2.53 3.84 2.72 0.00 -1.26 -1.08 105.19 110.32 3hkw n GLY 449 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3hkw n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw s ALA 450 N -2.30 3.52 -0.05 4.61 0.00 -0.97 -4.13 121.76 122.44 3hkw s ALA 450 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 3hkw s ALA 450 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 3hkw s ALA 450 CO 0.00 0.43 0.48 0.00 0.00 0.00 0.00 175.76 176.67 3hkw s TYR 452 N -0.13 1.32 -0.38 0.00 1.51 0.18 -0.21 117.35 119.65 3hkw s TYR 452 Ca 0.26 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 3hkw s TYR 452 Cb -0.16 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 3hkw s TYR 452 CO 0.13 0.04 0.46 0.45 -1.11 0.00 0.00 175.55 175.52 3hkw s SER 453 N -1.08 6.24 -0.04 2.29 0.15 -1.26 -1.23 113.70 118.77 3hkw s SER 453 Ca 0.03 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.42 3hkw s SER 453 Cb -0.08 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3hkw s SER 453 CO 0.01 -0.50 -0.23 -0.63 1.20 0.00 0.00 173.24 173.09 3hkw s ILE 454 N 2.24 1.88 -0.29 6.45 -1.09 0.16 -4.86 121.20 125.69 3hkw s ILE 454 Ca 0.15 -0.99 -0.21 0.00 -2.23 0.00 0.00 60.65 57.38 3hkw s ILE 454 Cb -0.16 -1.58 -0.01 0.00 -1.58 0.00 0.00 42.46 39.13 3hkw s ILE 454 CO 0.13 0.53 0.65 -1.61 -1.23 0.00 0.00 174.94 173.41 3hkw s GLU 455 N -0.28 3.99 0.55 2.79 2.02 -1.26 -0.65 118.70 125.85 3hkw s GLU 455 Ca 0.01 0.43 0.28 0.00 0.02 0.00 0.00 54.97 55.71 3hkw s GLU 455 Cb -0.12 -3.70 1.45 0.00 0.10 0.00 0.00 34.13 31.87 3hkw s GLU 455 CO 0.02 -0.52 1.94 -1.35 0.02 0.00 0.00 175.26 175.37 3hkw h PRO 456 N 8.07 0.00 0.00 0.39 0.11 -1.80 -0.32 132.00 138.45 3hkw h PRO 456 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hkw h PRO 456 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hkw h PRO 456 CO 0.80 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.52 3hkw h LEU 457 N 0.00 0.00 -0.81 2.35 3.38 -1.93 -1.72 115.31 116.58 3hkw h LEU 457 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hkw h LEU 457 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hkw h LEU 457 CO -0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3hkw n ASP 458 N -2.52 1.22 -0.23 -0.43 8.00 -0.13 -4.50 116.55 117.96 3hkw n ASP 458 Ca 0.00 -1.62 -0.02 0.00 0.71 0.00 0.00 54.79 53.87 3hkw n ASP 458 Cb 0.18 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.30 3hkw n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hkw h LEU 459 N 1.63 0.55 0.19 0.64 3.38 -1.42 -2.49 115.31 117.79 3hkw h LEU 459 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hkw h LEU 459 Cb 0.36 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3hkw h LEU 459 CO 0.00 0.36 -0.28 -0.65 0.09 0.00 0.00 178.44 177.95 3hkw h PRO 460 N 0.68 -0.52 -0.37 1.13 0.11 -1.84 0.92 132.00 132.12 3hkw h PRO 460 Ca 0.29 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 3hkw h PRO 460 Cb 0.17 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3hkw h PRO 460 CO -0.17 -0.35 0.08 -1.00 -0.21 0.00 0.00 178.00 176.35 3hkw h PRO 461 N -0.54 0.54 -0.24 1.05 0.13 -1.88 -1.36 132.00 129.70 3hkw h PRO 461 Ca 0.01 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3hkw h PRO 461 Cb 0.54 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 3hkw h PRO 461 CO -0.12 0.51 0.14 0.82 -0.23 0.00 0.00 178.00 179.12 3hkw h ILE 462 N 0.53 1.03 -0.67 -3.56 2.04 -1.14 -1.96 117.51 113.78 3hkw h ILE 462 Ca 0.12 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3hkw h ILE 462 Cb 0.22 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hkw h ILE 462 CO -0.00 0.05 0.31 0.40 0.00 0.00 0.00 178.15 178.91 3hkw h ILE 463 N 0.29 1.23 -0.82 -0.67 2.04 -0.35 -1.75 117.51 117.48 3hkw h ILE 463 Ca 0.09 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3hkw h ILE 463 Cb -0.01 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 3hkw h ILE 463 CO -0.04 0.27 0.53 -0.61 0.00 0.00 0.00 178.15 178.30 3hkw h GLN 464 N 0.94 1.01 -0.30 2.37 4.15 -1.05 -0.42 115.11 121.82 3hkw h GLN 464 Ca 0.23 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 3hkw h GLN 464 Cb 0.14 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3hkw h GLN 464 CO -0.03 0.67 -0.33 0.00 -1.93 0.00 0.00 178.83 177.21 3hkw h ARG 465 N 1.04 0.64 0.00 1.69 2.47 -0.87 -0.68 114.38 118.67 3hkw h ARG 465 Ca 0.32 -0.29 -0.20 0.00 -1.26 0.00 0.00 59.98 58.55 3hkw h ARG 465 Cb -0.02 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 3hkw h ARG 465 CO -0.10 0.88 -1.21 -0.07 0.56 0.00 0.00 179.97 180.03 3hkw h LEU 466 N 0.54 0.00 0.00 3.04 4.07 -1.05 -3.42 115.31 118.49 3hkw h LEU 466 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3hkw h LEU 466 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 3hkw h LEU 466 CO 0.07 0.77 -0.62 1.41 -1.08 0.00 0.00 178.44 178.98 3hkw n HIS 467 N -3.10 0.00 0.00 1.13 8.25 -0.19 -1.08 115.22 120.22 3hkw n HIS 467 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3hkw n HIS 467 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 3hkw n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkw n GLY 468 N 1.59 1.40 0.27 -1.41 0.00 -0.26 -4.57 105.19 102.22 3hkw n GLY 468 Ca 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3hkw n GLY 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hkw h LEU 469 N 0.00 0.00 -2.23 0.99 5.85 -1.88 -2.05 115.31 116.00 3hkw h LEU 469 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3hkw h LEU 469 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hkw h LEU 469 CO 0.00 0.01 0.22 0.77 -0.34 0.00 0.00 178.44 179.10 3hkw h SER 470 N 0.00 0.00 -0.01 1.25 4.64 -1.96 -2.28 113.55 115.19 3hkw h SER 470 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hkw h SER 470 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hkw h SER 470 CO 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 176.83 176.02 3hkw h ALA 471 N 1.73 1.16 -0.11 5.18 0.00 -1.61 0.16 119.26 125.77 3hkw h ALA 471 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hkw h ALA 471 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hkw h ALA 471 CO -0.00 -0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.37 3hkw n PHE 472 N -3.18 0.12 -0.66 0.00 3.72 -0.86 -4.37 117.46 112.23 3hkw n PHE 472 Ca -0.03 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3hkw n PHE 472 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3hkw n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hkw n SER 473 N 0.70 0.56 -4.76 4.37 7.64 0.01 -4.54 113.62 117.60 3hkw n SER 473 Ca 0.17 -1.22 -0.39 0.00 1.01 0.00 0.00 58.87 58.44 3hkw n SER 473 Cb 0.45 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 3hkw n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hkw s LEU 474 N -0.22 4.08 0.00 -3.43 1.43 -0.97 -3.61 118.68 115.96 3hkw s LEU 474 Ca 0.00 2.70 -0.06 0.00 -1.03 0.00 0.00 54.13 55.74 3hkw s LEU 474 Cb 0.00 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.21 3hkw s LEU 474 CO 0.00 -1.10 0.45 0.00 0.23 0.00 0.00 176.35 175.93 3hkw n HIS 475 N -0.29 -1.61 -3.72 0.29 1.44 -0.01 -4.96 115.22 106.37 3hkw n HIS 475 Ca 0.06 -1.37 -0.25 0.00 -2.01 0.00 0.00 57.72 54.15 3hkw n HIS 475 Cb 0.44 0.52 0.03 0.00 0.12 0.00 0.00 29.99 31.10 3hkw n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3hkw n SER 476 N -1.52 -2.52 -4.73 4.39 7.64 -1.26 -1.04 113.62 114.56 3hkw n SER 476 Ca -0.03 -0.91 -0.31 0.00 1.01 0.00 0.00 58.87 58.63 3hkw n SER 476 Cb 0.39 -3.72 0.12 0.00 -1.01 0.00 0.00 64.21 59.99 3hkw n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hkw s TYR 477 N -3.66 2.34 0.43 1.43 1.51 -1.26 -4.15 117.35 114.00 3hkw s TYR 477 Ca 0.17 1.51 -0.23 0.00 -1.01 0.00 0.00 57.07 57.51 3hkw s TYR 477 Cb -0.05 -3.12 -0.08 0.00 -0.11 0.00 0.00 41.96 38.60 3hkw s TYR 477 CO 0.84 -2.15 1.09 -1.54 -1.11 0.00 0.00 175.55 172.68 3hkw s SER 478 N -3.27 6.48 0.32 2.29 1.04 -1.24 -4.87 113.70 114.45 3hkw s SER 478 Ca 0.63 2.13 0.05 0.00 0.48 0.00 0.00 55.95 59.23 3hkw s SER 478 Cb -0.18 -2.59 0.68 0.00 0.10 0.00 0.00 66.02 64.02 3hkw s SER 478 CO 0.57 -0.69 1.85 -0.65 0.98 0.00 0.00 173.24 175.30 3hkw h PRO 479 N 2.22 0.83 -0.66 4.02 0.11 -1.96 -0.70 132.00 135.86 3hkw h PRO 479 Ca -0.49 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3hkw h PRO 479 Cb 1.23 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3hkw h PRO 479 CO 0.61 0.55 0.18 0.78 -0.21 0.00 0.00 178.00 179.91 3hkw h GLY 480 N 0.86 1.11 0.68 -0.55 0.00 -1.99 0.53 103.07 103.71 3hkw h GLY 480 Ca 0.47 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3hkw h GLY 480 CO -0.24 0.62 -0.08 -2.09 0.00 0.00 0.00 176.54 174.75 3hkw h GLU 481 N 0.99 0.23 -0.48 4.80 4.57 -1.77 -1.13 114.58 121.80 3hkw h GLU 481 Ca 0.21 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3hkw h GLU 481 Cb 0.32 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3hkw h GLU 481 CO -0.00 0.63 0.28 0.82 -1.18 0.00 0.00 179.01 179.55 3hkw h ILE 482 N -0.16 1.04 -0.92 2.32 2.04 -1.01 -1.37 117.51 119.45 3hkw h ILE 482 Ca 0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3hkw h ILE 482 Cb 0.57 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3hkw h ILE 482 CO 0.02 0.10 0.58 0.78 0.00 0.00 0.00 178.15 179.64 3hkw h ASN 483 N 0.56 1.08 -0.35 1.72 -0.26 -0.84 -0.06 115.58 117.43 3hkw h ASN 483 Ca 0.19 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.85 3hkw h ASN 483 Cb 0.02 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 3hkw h ASN 483 CO -0.09 0.81 0.11 -0.09 -1.06 0.00 0.00 177.43 177.11 3hkw h ARG 484 N 1.26 0.55 -0.12 0.81 2.43 -0.66 -0.49 114.38 118.15 3hkw h ARG 484 Ca 0.33 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3hkw h ARG 484 Cb -0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3hkw h ARG 484 CO -0.07 0.57 0.05 0.28 -1.51 0.00 0.00 179.97 179.30 3hkw h VAL 485 N 0.41 1.13 -0.76 0.20 2.07 -1.00 -2.19 116.25 116.11 3hkw h VAL 485 Ca 0.11 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3hkw h VAL 485 Cb 0.26 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3hkw h VAL 485 CO -0.00 0.12 0.35 0.00 0.02 0.00 0.00 177.57 178.05 3hkw h ALA 486 N 0.92 1.17 -0.55 1.67 0.00 -0.80 -0.97 119.26 120.70 3hkw h ALA 486 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hkw h ALA 486 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hkw h ALA 486 CO -0.00 0.62 0.28 0.00 0.00 0.00 0.00 179.25 180.14 3hkw h ALA 487 N 1.29 0.70 -0.61 0.00 0.00 -1.04 -1.85 119.26 117.75 3hkw h ALA 487 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hkw h ALA 487 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hkw h ALA 487 CO -0.03 0.25 0.39 0.00 0.00 0.00 0.00 179.25 179.86 3hkw h LEU 489 N 0.80 0.57 -0.57 0.00 3.38 -0.84 -0.81 115.31 117.84 3hkw h LEU 489 Ca 0.23 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hkw h LEU 489 Cb -0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3hkw h LEU 489 CO -0.06 0.52 0.38 0.03 0.09 0.00 0.00 178.44 179.40 3hkw h ARG 490 N 0.57 0.75 -0.61 1.13 3.08 -1.20 -0.66 114.38 117.43 3hkw h ARG 490 Ca 0.15 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.19 3hkw h ARG 490 Cb 0.10 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3hkw h ARG 490 CO -0.02 0.49 0.36 -0.22 -1.07 0.00 0.00 179.97 179.51 3hkw h LYS 491 N 0.77 0.68 -0.01 0.04 3.64 -0.76 -3.19 116.57 117.75 3hkw h LYS 491 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3hkw h LYS 491 Cb -0.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 3hkw h LYS 491 CO -0.05 0.45 -0.52 1.28 -2.27 0.00 0.00 179.45 178.34 3hkw n LEU 492 N -4.76 1.05 -2.31 5.20 4.77 -0.36 -4.90 117.00 115.70 3hkw n LEU 492 Ca 0.06 -0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 55.59 3hkw n LEU 492 Cb 0.11 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3hkw n LEU 492 CO 0.31 0.22 0.11 0.61 -1.33 0.00 0.00 177.39 177.32 3hkw n GLY 493 N 1.43 0.06 3.77 -0.72 0.00 -0.38 -1.49 105.19 107.86 3hkw n GLY 493 Ca 0.08 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3hkw n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkw s VAL 494 N -3.19 5.25 0.63 1.61 1.01 -0.47 -0.54 120.40 124.70 3hkw s VAL 494 Ca 0.22 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 3hkw s VAL 494 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3hkw s VAL 494 CO 0.42 0.45 0.86 -2.65 0.00 0.00 0.00 175.10 174.17 3hkw n PRO 495 N 3.00 0.71 -1.11 2.72 -0.02 -1.26 -4.57 135.00 134.47 3hkw n PRO 495 Ca -0.13 0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 61.33 3hkw n PRO 495 Cb 0.52 -2.08 0.12 0.00 -0.02 0.00 0.00 33.50 32.05 3hkw n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hkw s PRO 496 N -2.77 1.71 0.37 0.52 0.04 -1.26 -4.78 135.00 128.83 3hkw s PRO 496 Ca 0.74 1.17 0.08 0.00 0.04 0.00 0.00 61.00 63.03 3hkw s PRO 496 Cb -0.40 -1.83 0.80 0.00 0.04 0.00 0.00 34.50 33.10 3hkw s PRO 496 CO 0.49 -2.03 1.94 -0.07 0.04 0.00 0.00 177.00 177.37 3hkw h LEU 497 N -1.41 0.63 -1.30 -3.56 3.38 -1.99 -1.11 115.31 109.95 3hkw h LEU 497 Ca -0.45 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3hkw h LEU 497 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3hkw h LEU 497 CO 0.50 0.38 -0.34 0.03 0.09 0.00 0.00 178.44 179.10 3hkw h ARG 498 N 0.70 0.00 -0.24 1.13 3.08 -1.99 -0.55 114.38 116.51 3hkw h ARG 498 Ca 0.34 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.31 3hkw h ARG 498 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3hkw h ARG 498 CO -0.13 0.34 -0.19 0.00 -1.07 0.00 0.00 179.97 178.92 3hkw h ALA 499 N 1.66 0.35 -0.93 0.04 0.00 -1.56 -1.99 119.26 116.82 3hkw h ALA 499 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3hkw h ALA 499 Cb 0.65 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3hkw h ALA 499 CO 0.04 0.28 0.60 -1.49 0.00 0.00 0.00 179.25 178.68 3hkw h TRP 500 N 0.26 1.11 -0.26 0.00 4.06 -1.02 -1.29 115.95 118.81 3hkw h TRP 500 Ca 0.04 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.03 3hkw h TRP 500 Cb 0.73 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 3hkw h TRP 500 CO 0.07 0.59 0.15 -0.09 -3.56 0.00 0.00 178.44 175.60 3hkw h ARG 501 N 1.11 0.30 -0.38 0.49 2.43 -1.02 0.20 114.38 117.51 3hkw h ARG 501 Ca 0.39 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 3hkw h ARG 501 Cb 0.12 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3hkw h ARG 501 CO -0.16 0.20 0.13 1.25 -1.51 0.00 0.00 179.97 179.88 3hkw h HIS 502 N 0.31 0.22 -0.53 2.20 2.76 -1.01 -2.43 115.15 116.68 3hkw h HIS 502 Ca 0.10 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3hkw h HIS 502 Cb 0.00 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3hkw h HIS 502 CO -0.08 0.09 0.23 -0.09 -1.30 0.00 0.00 177.93 176.77 3hkw h ARG 503 N 0.28 0.78 -0.64 5.26 9.65 -0.71 -2.67 114.38 126.33 3hkw h ARG 503 Ca 0.17 -0.13 0.12 0.00 -1.10 0.00 0.00 59.98 59.04 3hkw h ARG 503 Cb 0.16 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 3hkw h ARG 503 CO -0.18 0.67 0.43 0.00 2.80 0.00 0.00 179.97 183.69 3hkw h ALA 504 N 1.07 2.10 -0.62 2.80 0.00 -0.32 -1.64 119.26 122.65 3hkw h ALA 504 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hkw h ALA 504 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hkw h ALA 504 CO -0.02 -0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.15 3hkw h ARG 505 N 0.37 0.95 -0.15 0.00 3.08 -1.07 0.20 114.38 117.76 3hkw h ARG 505 Ca 0.30 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3hkw h ARG 505 Cb 0.69 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hkw h ARG 505 CO -0.08 0.83 -0.29 1.03 -1.07 0.00 0.00 179.97 180.39 3hkw h SER 506 N 0.91 0.52 -0.33 7.04 0.87 -1.39 -2.34 113.55 118.83 3hkw h SER 506 Ca 0.20 -0.55 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 3hkw h SER 506 Cb 0.30 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3hkw h SER 506 CO -0.00 0.97 0.21 0.58 -0.53 0.00 0.00 176.83 178.05 3hkw h VAL 507 N 0.09 1.07 -0.50 2.23 2.07 -1.12 -1.73 116.25 118.35 3hkw h VAL 507 Ca 0.01 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3hkw h VAL 507 Cb 0.88 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3hkw h VAL 507 CO 0.06 0.08 0.09 -0.09 0.02 0.00 0.00 177.57 177.73 3hkw h ARG 508 N 0.43 0.22 -0.64 1.57 2.43 -0.62 -0.45 114.38 117.32 3hkw h ARG 508 Ca 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3hkw h ARG 508 Cb -0.03 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3hkw h ARG 508 CO -0.04 0.14 0.28 0.00 -1.51 0.00 0.00 179.97 178.84 3hkw h ALA 509 N 1.40 0.82 -0.51 2.80 0.00 -1.07 -0.97 119.26 121.73 3hkw h ALA 509 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3hkw h ALA 509 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hkw h ALA 509 CO -0.34 0.42 -0.09 0.87 0.00 0.00 0.00 179.25 180.11 3hkw h LYS 510 N 0.89 0.93 -0.29 0.00 1.57 -0.87 -1.80 116.57 117.00 3hkw h LYS 510 Ca 0.22 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3hkw h LYS 510 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hkw h LYS 510 CO -0.02 0.97 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.73 3hkw h LEU 511 N 0.84 0.52 -1.10 2.94 3.38 -0.73 -2.83 115.31 118.32 3hkw h LEU 511 Ca 0.14 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hkw h LEU 511 Cb 0.61 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3hkw h LEU 511 CO 0.04 0.72 0.61 -0.07 0.09 0.00 0.00 178.44 179.84 3hkw h LEU 512 N 0.30 0.99 -1.77 1.67 3.38 -1.04 -2.17 115.31 116.67 3hkw h LEU 512 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hkw h LEU 512 Cb 0.47 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hkw h LEU 512 CO 0.02 0.66 -0.16 0.77 0.09 0.00 0.00 178.44 179.82 3hkw h SER 513 N 1.14 0.00 1.25 -0.43 4.64 -1.13 -2.66 113.55 116.35 3hkw h SER 513 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3hkw h SER 513 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hkw h SER 513 CO -0.13 0.16 -0.08 0.54 -0.87 0.00 0.00 176.83 176.45 3hkw n ARG 514 N -3.98 0.18 0.00 4.77 1.74 -0.84 -5.03 116.66 113.50 3hkw n ARG 514 Ca -0.02 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3hkw n ARG 514 Cb 0.25 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3hkw n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkw n GLY 515 N 1.37 -1.49 7.00 -0.13 0.00 -1.00 -4.82 105.19 106.12 3hkw n GLY 515 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3hkw n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 516 N 0.00 2.37 0.25 -0.02 0.00 -1.26 -1.34 105.19 105.19 3hkw n GLY 516 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hkw n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hkw h ARG 517 N 0.00 0.39 -0.43 1.61 3.08 -1.92 -2.60 114.38 114.51 3hkw h ARG 517 Ca 0.00 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3hkw h ARG 517 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3hkw h ARG 517 CO 0.00 0.53 0.24 0.00 -1.07 0.00 0.00 179.97 179.67 3hkw h ALA 518 N 1.49 0.54 -0.55 0.04 0.00 -1.73 -0.37 119.26 118.69 3hkw h ALA 518 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hkw h ALA 518 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hkw h ALA 518 CO 0.03 -0.10 0.28 0.00 0.00 0.00 0.00 179.25 179.46 3hkw h ALA 519 N 1.21 1.46 -0.60 0.00 0.00 -0.87 -0.07 119.26 120.38 3hkw h ALA 519 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3hkw h ALA 519 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hkw h ALA 519 CO -0.10 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.42 3hkw h ILE 520 N 0.77 1.26 -0.18 0.00 2.04 -1.05 -0.76 117.51 119.60 3hkw h ILE 520 Ca 0.19 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3hkw h ILE 520 Cb 0.06 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3hkw h ILE 520 CO -0.03 0.41 0.09 0.00 0.00 0.00 0.00 178.15 178.62 3hkw h GLY 522 N 0.20 0.69 0.69 0.00 0.00 -0.65 -0.38 103.07 103.61 3hkw h GLY 522 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3hkw h GLY 522 CO -0.05 0.02 -0.06 1.70 0.00 0.00 0.00 176.54 178.16 3hkw h LYS 523 N 0.38 -0.15 0.15 4.80 3.64 -0.99 -3.07 116.57 121.33 3hkw h LYS 523 Ca 0.25 0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.35 3hkw h LYS 523 Cb 0.25 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3hkw h LYS 523 CO -0.24 0.16 -1.43 1.88 -2.27 0.00 0.00 179.45 177.55 3hkw h TYR 524 N -0.47 0.56 0.00 1.91 -1.99 -1.22 -3.15 116.97 112.61 3hkw h TYR 524 Ca -0.02 -0.41 -0.06 0.00 2.00 0.00 0.00 58.73 60.25 3hkw h TYR 524 Cb 0.38 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 3hkw h TYR 524 CO 0.03 1.56 -0.27 -0.07 -0.00 0.00 0.00 178.16 179.41 3hkw h LEU 525 N -0.18 0.00 -2.78 3.88 3.38 -1.22 -3.32 115.31 115.07 3hkw h LEU 525 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hkw h LEU 525 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3hkw h LEU 525 CO 0.12 0.27 -0.10 0.49 0.09 0.00 0.00 178.44 179.31 3hkw n PHE 526 N -3.26 0.00 0.26 1.13 3.72 -1.16 -4.65 117.46 113.51 3hkw n PHE 526 Ca 0.02 -0.77 0.11 0.00 -0.05 0.00 0.00 57.45 56.75 3hkw n PHE 526 Cb 0.55 -0.12 0.72 0.00 -0.94 0.00 0.00 39.48 39.69 3hkw n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hkw h ASN 527 N 0.00 0.00 0.28 4.37 -1.24 -1.65 -1.69 115.58 115.64 3hkw h ASN 527 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3hkw h ASN 527 Cb 1.06 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.11 3hkw h ASN 527 CO 0.00 0.08 -0.10 4.11 -1.29 0.00 0.00 177.43 180.23 3hkw h TRP 528 N 0.00 0.00 -0.01 0.67 5.08 -1.83 -3.08 115.95 116.79 3hkw h TRP 528 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hkw h TRP 528 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 3hkw h TRP 528 CO 0.00 0.10 -0.09 0.00 -1.28 0.00 0.00 178.44 177.17 3hkw n ALA 529 N -2.30 2.75 -2.51 0.11 0.00 -0.64 -4.86 120.51 113.06 3hkw n ALA 529 Ca -0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 3hkw n ALA 529 Cb 0.20 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 3hkw n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hkw s VAL 530 N -2.26 1.80 -0.00 0.00 -7.23 -1.16 -4.78 120.40 106.77 3hkw s VAL 530 Ca 0.34 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.73 3hkw s VAL 530 Cb 0.20 -1.64 -0.34 0.00 0.56 0.00 0.00 36.38 35.16 3hkw s VAL 530 CO 0.42 -0.06 0.94 -0.09 -0.31 0.00 0.00 175.10 176.00 3hkw h ARG 531 N 3.98 0.46 -5.22 4.82 1.12 -1.89 -3.39 114.38 114.26 3hkw h ARG 531 Ca -0.47 -0.79 -0.68 0.00 -1.11 0.00 0.00 59.98 56.93 3hkw h ARG 531 Cb 1.18 0.29 -0.16 0.00 -0.01 0.00 0.00 29.97 31.28 3hkw h ARG 531 CO 0.40 1.38 1.12 0.99 -3.11 0.00 0.00 179.97 180.75 3hkw s THR 532 N -2.55 4.60 0.34 0.20 2.01 -1.26 -5.01 115.64 113.98 3hkw s THR 532 Ca -0.11 -1.63 -0.20 0.00 0.31 0.00 0.00 61.69 60.06 3hkw s THR 532 Cb 0.03 -4.88 -0.10 0.00 0.01 0.00 0.00 72.50 67.57 3hkw s THR 532 CO 0.91 -1.63 0.85 -0.54 -0.69 0.00 0.00 174.62 173.51 3hkw s LYS 533 N 2.99 4.24 0.42 4.92 1.02 -1.26 -5.07 119.74 127.00 3hkw s LYS 533 Ca 0.38 0.99 -0.13 0.00 0.02 0.00 0.00 55.97 57.23 3hkw s LYS 533 Cb -0.03 -2.49 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 3hkw s LYS 533 CO -0.07 0.16 0.82 -0.51 -0.92 0.00 0.00 175.35 174.83 3hkw s LEU 534 N -2.70 3.81 -0.22 3.17 1.02 -1.26 -5.04 118.68 117.46 3hkw s LEU 534 Ca 0.54 1.27 -0.29 0.00 0.02 0.00 0.00 54.13 55.67 3hkw s LEU 534 Cb -0.12 -4.15 0.01 0.00 0.02 0.00 0.00 46.19 41.94 3hkw s LEU 534 CO 0.18 -0.42 1.02 -0.54 0.02 0.00 0.00 176.35 176.61 3hkw s LYS 535 N -3.79 4.27 -0.52 1.70 1.02 -1.26 -4.99 119.74 116.18 3hkw s LYS 535 Ca 0.54 1.34 -0.16 0.00 0.02 0.00 0.00 55.97 57.70 3hkw s LYS 535 Cb -0.10 -3.63 0.10 0.00 -0.52 0.00 0.00 37.83 33.68 3hkw s LYS 535 CO 0.29 -0.59 0.50 -0.51 -0.92 0.00 0.00 175.35 174.12 3hkw s LEU 536 N 3.04 5.84 0.23 3.17 1.43 -1.26 -5.04 118.68 126.09 3hkw s LEU 536 Ca 0.44 -1.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 3hkw s LEU 536 Cb -0.15 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3hkw s LEU 536 CO 0.07 -0.82 0.27 0.42 0.23 0.00 0.00 176.35 176.52 3hkw s THR 537 N 1.81 4.89 0.07 5.49 -4.23 -1.26 -5.04 115.64 117.36 3hkw s THR 537 Ca 0.05 -1.13 -0.37 0.00 -1.18 0.00 0.00 61.69 59.05 3hkw s THR 537 Cb -0.27 -3.63 -0.17 0.00 1.34 0.00 0.00 72.50 69.77 3hkw s THR 537 CO 0.05 -0.30 1.30 -2.65 -0.54 0.00 0.00 174.62 172.48 3hkw n PRO 538 N -1.16 0.96 -2.52 3.99 -0.02 -1.26 -4.88 135.00 130.11 3hkw n PRO 538 Ca -0.08 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3hkw n PRO 538 Cb 0.57 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3hkw n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 539 N 0.43 4.35 0.18 4.25 1.01 -1.26 -4.94 121.20 125.22 3hkw s ILE 539 Ca 0.86 1.68 -0.13 0.00 0.00 0.00 0.00 60.65 63.06 3hkw s ILE 539 Cb -1.01 -4.08 0.08 0.00 0.01 0.00 0.00 42.46 37.46 3hkw s ILE 539 CO 0.49 0.08 1.78 0.00 0.00 0.00 0.00 174.94 177.29 3hkw h ALA 540 N 7.01 0.63 0.00 9.38 0.00 -2.03 -2.23 119.26 132.01 3hkw h ALA 540 Ca -0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hkw h ALA 540 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hkw h ALA 540 CO 0.82 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3hkw h ALA 541 N 1.28 1.00 -0.30 0.00 0.00 -2.00 -3.12 119.26 116.12 3hkw h ALA 541 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3hkw h ALA 541 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hkw h ALA 541 CO -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 3hkw h ALA 542 N 2.01 0.25 -0.40 0.00 0.00 -1.68 -2.56 119.26 116.88 3hkw h ALA 542 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hkw h ALA 542 Cb 0.12 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hkw h ALA 542 CO 0.00 -0.43 0.06 0.78 0.00 0.00 0.00 179.25 179.66 3hkw h GLY 543 N 0.06 0.66 2.00 0.00 0.00 -1.72 -2.96 103.07 101.11 3hkw h GLY 543 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3hkw h GLY 543 CO -0.27 0.35 0.00 -1.06 0.00 0.00 0.00 176.54 175.57 3hkw n GLN 544 N -4.29 0.26 -1.69 4.80 6.02 -1.03 -4.85 117.38 116.60 3hkw n GLN 544 Ca 0.02 0.25 -0.43 0.00 -0.01 0.00 0.00 57.00 56.83 3hkw n GLN 544 Cb 0.23 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 3hkw n GLN 544 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hkw n LEU 545 N -2.28 4.02 -4.50 1.08 4.77 -0.99 -4.93 117.00 114.18 3hkw n LEU 545 Ca 0.05 0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 56.59 3hkw n LEU 545 Cb 0.40 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 3hkw n LEU 545 CO 0.29 0.16 0.99 -0.62 -1.33 0.00 0.00 177.39 176.89 3hkw s ASP 546 N 2.82 6.25 -0.22 -1.43 2.15 -1.26 -4.80 116.67 120.18 3hkw s ASP 546 Ca 0.83 -0.96 0.15 0.00 0.43 0.00 0.00 52.55 52.99 3hkw s ASP 546 Cb -0.49 -2.48 0.73 0.00 -0.30 0.00 0.00 42.92 40.38 3hkw s ASP 546 CO 0.38 -1.55 1.65 0.18 -0.17 0.00 0.00 175.17 175.66 3hkw n LEU 547 N 8.28 5.15 -4.74 -1.34 4.77 -1.26 -4.97 117.00 122.89 3hkw n LEU 547 Ca 0.05 -2.95 -0.42 0.00 -0.03 0.00 0.00 56.01 52.67 3hkw n LEU 547 Cb 0.48 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 3hkw n LEU 547 CO 0.65 0.65 1.21 -0.94 -1.33 0.00 0.00 177.39 177.63 3hkw s SER 548 N -1.15 6.50 0.00 -1.43 1.04 -1.26 -2.10 113.70 115.30 3hkw s SER 548 Ca 0.51 2.79 0.00 0.00 0.48 0.00 0.00 55.95 59.73 3hkw s SER 548 Cb 0.39 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3hkw s SER 548 CO 0.14 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3hkw n GLY 549 N 2.67 1.62 0.26 7.32 0.00 -1.26 -4.93 105.19 110.88 3hkw n GLY 549 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3hkw n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hkw h TRP 550 N 0.00 1.01 -1.97 1.61 4.06 -1.81 -3.35 115.95 115.49 3hkw h TRP 550 Ca 0.00 -0.21 -0.53 0.00 2.06 0.00 0.00 58.89 60.21 3hkw h TRP 550 Cb 0.00 -0.25 -0.41 0.00 -1.00 0.00 0.00 29.16 27.50 3hkw h TRP 550 CO 0.00 0.98 -0.91 1.19 -3.56 0.00 0.00 178.44 176.14 3hkw n PHE 551 N -4.25 2.31 -0.09 0.49 3.72 -1.26 -4.75 117.46 113.62 3hkw n PHE 551 Ca 0.00 -3.72 -0.19 0.00 -0.05 0.00 0.00 57.45 53.49 3hkw n PHE 551 Cb 0.37 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 3hkw n PHE 551 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3hkw n THR 552 N -0.07 1.17 -3.87 4.37 -1.04 -1.21 -4.13 114.28 109.51 3hkw n THR 552 Ca 0.28 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.99 3hkw n THR 552 Cb 0.56 -1.84 -0.05 0.00 -1.82 0.00 0.00 70.33 67.18 3hkw n THR 552 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkw s ALA 553 N -2.42 -0.51 0.10 2.41 0.00 -1.25 -4.10 121.76 115.99 3hkw s ALA 553 Ca -0.27 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 3hkw s ALA 553 Cb 0.10 0.90 -0.06 0.00 0.00 0.00 0.00 23.12 24.06 3hkw s ALA 553 CO 0.35 -0.78 0.44 0.20 0.00 0.00 0.00 175.76 175.97 3hkw s GLY 554 N -2.94 2.36 -0.02 0.00 0.00 -1.26 -4.93 107.32 100.54 3hkw s GLY 554 Ca 0.15 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.56 3hkw s GLY 554 CO 0.01 -0.10 0.84 -1.72 0.00 0.00 0.00 173.10 172.13 3hkw n TYR 555 N 0.81 0.00 -1.66 1.90 4.01 -0.24 -4.59 117.16 117.39 3hkw n TYR 555 Ca -0.07 -0.17 -0.47 0.00 -0.16 0.00 0.00 57.90 57.04 3hkw n TYR 555 Cb 0.52 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.46 3hkw n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hkw n SER 556 N -0.22 2.93 0.00 7.72 2.88 -1.24 -0.25 113.62 125.44 3hkw n SER 556 Ca 0.02 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3hkw n SER 556 Cb 0.58 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 3hkw n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hkw n GLY 557 N 3.31 2.32 0.90 0.46 0.00 -1.26 -4.25 105.19 106.67 3hkw n GLY 557 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3hkw n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 558 N -2.00 1.21 3.52 -0.02 0.00 0.65 -3.16 105.19 105.39 3hkw n GLY 558 Ca 0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 3hkw n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hkw n ASP 559 N 0.94 -3.08 -4.50 1.61 2.03 -1.26 -4.50 116.55 107.79 3hkw n ASP 559 Ca 0.17 -0.63 -0.33 0.00 0.52 0.00 0.00 54.79 54.52 3hkw n ASP 559 Cb 0.44 -4.94 -0.12 0.00 -0.72 0.00 0.00 41.12 35.78 3hkw n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hkw s ILE 560 N -3.38 3.53 -0.13 5.18 -1.09 -1.26 -4.33 121.20 119.72 3hkw s ILE 560 Ca 0.17 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 3hkw s ILE 560 Cb -0.07 -2.48 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 3hkw s ILE 560 CO 0.74 0.55 -0.15 -0.47 -1.23 0.00 0.00 174.94 174.39 3hkw s TYR 561 N -0.22 2.06 -0.10 3.97 5.04 0.32 -0.66 117.35 127.76 3hkw s TYR 561 Ca 0.02 -1.05 0.20 0.00 -2.44 0.00 0.00 57.07 53.80 3hkw s TYR 561 Cb -0.13 -1.50 -0.29 0.00 0.35 0.00 0.00 41.96 40.39 3hkw s TYR 561 CO 0.03 -0.56 0.39 0.72 -1.34 0.00 0.00 175.55 174.79 3hkw n HIS 562 N 4.47 0.09 1.45 4.97 8.25 0.71 -4.48 115.22 130.68 3hkw n HIS 562 Ca -0.18 0.03 0.12 0.00 -0.26 0.00 0.00 57.72 57.43 3hkw n HIS 562 Cb 0.51 -0.71 0.69 0.00 1.12 0.00 0.00 29.99 31.60 3hkw n HIS 562 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41