#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hky n SER 1 N 0.00 -6.95 -4.77 6.43 2.88 -1.26 -4.26 113.62 105.69 3hky n SER 1 Ca 0.00 0.51 -0.38 0.00 -1.33 0.00 0.00 58.87 57.67 3hky n SER 1 Cb 0.00 -4.65 -0.05 0.00 -0.75 0.00 0.00 64.21 58.76 3hky n SER 1 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3hky s MET 2 N -2.25 4.47 0.30 -1.46 1.00 -1.26 -2.54 119.30 117.57 3hky s MET 2 Ca 0.19 1.51 -0.01 0.00 0.00 0.00 0.00 55.69 57.39 3hky s MET 2 Cb -0.05 -2.84 0.47 0.00 0.00 0.00 0.00 34.83 32.41 3hky s MET 2 CO 0.64 0.14 1.93 0.66 0.00 0.00 0.00 175.02 178.39 3hky h SER 3 N 3.17 0.84 -4.99 3.03 4.64 -1.46 -3.40 113.55 115.37 3hky h SER 3 Ca -0.47 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 60.63 3hky h SER 3 Cb 1.21 -0.21 -0.21 0.00 -0.31 0.00 0.00 62.40 62.88 3hky h SER 3 CO 0.65 0.68 -0.62 -0.31 -0.87 0.00 0.00 176.83 176.35 3hky s TYR 4 N -5.63 0.19 0.06 4.77 2.02 -1.26 -0.85 117.35 116.65 3hky s TYR 4 Ca -0.11 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 3hky s TYR 4 Cb 0.17 -0.14 -0.03 0.00 -0.40 0.00 0.00 41.96 41.56 3hky s TYR 4 CO 0.79 -0.24 -0.20 0.95 -1.57 0.00 0.00 175.55 175.28 3hky s THR 5 N -1.55 1.61 0.10 -0.71 -4.23 -0.20 -4.80 115.64 105.85 3hky s THR 5 Ca -0.15 -1.25 0.09 0.00 -1.18 0.00 0.00 61.69 59.20 3hky s THR 5 Cb -0.08 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 3hky s THR 5 CO -0.01 0.12 -0.22 0.26 -0.54 0.00 0.00 174.62 174.24 3hky s TRP 6 N -0.89 1.90 -0.12 3.99 0.52 -1.26 -0.62 118.94 122.46 3hky s TRP 6 Ca 0.06 -0.41 0.16 0.00 0.02 0.00 0.00 56.10 55.94 3hky s TRP 6 Cb -0.09 -1.05 -0.23 0.00 -1.15 0.00 0.00 33.47 30.95 3hky s TRP 6 CO 0.02 0.22 0.44 0.25 0.02 0.00 0.00 176.95 177.90 3hky n THR 7 N 1.16 1.38 0.00 2.01 -2.24 -0.67 -4.93 114.28 110.99 3hky n THR 7 Ca -0.19 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3hky n THR 7 Cb 0.53 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3hky n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hky n GLY 8 N 1.60 1.27 3.76 3.38 0.00 -1.26 -5.08 105.19 108.86 3hky n GLY 8 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3hky n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hky n ALA 9 N 0.00 2.03 -1.94 4.61 0.00 -1.26 -4.97 120.51 118.97 3hky n ALA 9 Ca 0.00 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 3hky n ALA 9 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 3hky n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hky s LEU 10 N -2.68 3.67 -0.22 0.00 1.43 -1.26 -4.88 118.68 114.75 3hky s LEU 10 Ca 0.61 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 3hky s LEU 10 Cb -0.45 -4.36 0.01 0.00 0.03 0.00 0.00 46.19 41.42 3hky s LEU 10 CO 0.57 -0.54 1.04 -0.63 0.23 0.00 0.00 176.35 177.02 3hky s ILE 11 N -2.57 4.69 0.15 -0.59 1.01 -1.26 -4.81 121.20 117.82 3hky s ILE 11 Ca 0.57 2.03 0.08 0.00 0.00 0.00 0.00 60.65 63.33 3hky s ILE 11 Cb -0.10 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 3hky s ILE 11 CO 0.32 -0.16 -0.10 0.42 0.00 0.00 0.00 174.94 175.42 3hky s THR 12 N 3.08 3.25 0.47 2.92 -4.23 -1.26 -4.92 115.64 114.94 3hky s THR 12 Ca 0.44 -1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 3hky s THR 12 Cb -0.15 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 3hky s THR 12 CO 0.07 -0.01 0.80 -2.16 -0.54 0.00 0.00 174.62 172.78 3hky s PRO 13 N -2.55 3.63 0.00 3.99 0.04 -1.26 -4.43 135.00 134.42 3hky s PRO 13 Ca 0.23 0.35 0.21 0.00 0.04 0.00 0.00 61.00 61.83 3hky s PRO 13 Cb -0.10 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 32.19 3hky s PRO 13 CO 0.14 -0.18 1.12 0.00 0.04 0.00 0.00 177.00 178.13 3hky s ALA 15 N -1.98 -1.01 0.51 0.00 0.00 -1.26 -5.15 121.76 112.87 3hky s ALA 15 Ca 0.22 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 3hky s ALA 15 Cb 0.17 0.78 -0.07 0.00 0.00 0.00 0.00 23.12 24.01 3hky s ALA 15 CO 0.36 -1.02 1.29 0.00 0.00 0.00 0.00 175.76 176.39 3hky n ALA 16 N -0.49 1.35 -3.44 0.00 0.00 -1.26 -5.00 120.51 111.67 3hky n ALA 16 Ca -0.06 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 3hky n ALA 16 Cb 0.59 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 17.58 3hky n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hky s GLU 17 N -2.64 3.08 0.02 0.00 2.02 -1.26 -5.11 118.70 114.81 3hky s GLU 17 Ca 0.68 -0.84 -0.23 0.00 0.02 0.00 0.00 54.97 54.61 3hky s GLU 17 Cb -0.45 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.30 3hky s GLU 17 CO 0.52 0.07 0.68 -2.00 0.02 0.00 0.00 175.26 174.56 3hky s GLU 18 N 0.62 4.41 0.00 1.61 2.12 -1.26 -4.97 118.70 121.23 3hky s GLU 18 Ca -0.11 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.12 3hky s GLU 18 Cb -0.16 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3hky s GLU 18 CO 0.03 0.32 0.00 -1.13 -0.54 0.00 0.00 175.26 173.93 3hky n SER 19 N 2.80 3.32 -4.62 -1.70 3.41 -1.26 -4.63 113.62 110.94 3hky n SER 19 Ca -0.04 -0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.11 3hky n SER 19 Cb 0.51 0.91 -0.10 0.00 -0.26 0.00 0.00 64.21 65.26 3hky n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hky s LYS 20 N -1.58 2.74 0.12 4.33 1.02 -1.26 -1.28 119.74 123.84 3hky s LYS 20 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 3hky s LYS 20 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 3hky s LYS 20 CO 0.00 0.65 1.52 -1.17 -0.92 0.00 0.00 175.35 175.43 3hky s LEU 21 N -1.07 4.37 0.91 3.17 2.96 -1.19 -4.97 118.68 122.86 3hky s LEU 21 Ca 0.15 2.48 -0.11 0.00 -0.22 0.00 0.00 54.13 56.42 3hky s LEU 21 Cb -0.11 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.13 3hky s LEU 21 CO 0.04 -0.78 1.10 -2.84 -1.32 0.00 0.00 176.35 172.55 3hky s PRO 22 N 1.47 1.10 -0.55 0.98 0.02 -1.26 -4.90 135.00 131.86 3hky s PRO 22 Ca 0.69 1.12 -0.16 0.00 0.02 0.00 0.00 61.00 62.67 3hky s PRO 22 Cb -0.40 -1.77 0.13 0.00 0.02 0.00 0.00 34.50 32.48 3hky s PRO 22 CO 0.31 -2.44 0.51 0.42 -0.33 0.00 0.00 177.00 175.47 3hky s ILE 23 N -2.78 5.22 -0.04 2.83 1.01 -1.26 -4.93 121.20 121.25 3hky s ILE 23 Ca 0.65 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hky s ILE 23 Cb -0.20 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 37.95 3hky s ILE 23 CO 0.58 -0.88 -0.04 0.21 0.00 0.00 0.00 174.94 174.81 3hky s ASN 24 N 3.52 0.81 0.41 3.58 3.84 -1.26 -5.05 114.94 120.79 3hky s ASN 24 Ca 0.04 -0.11 0.16 0.00 0.21 0.00 0.00 52.86 53.16 3hky s ASN 24 Cb -0.29 -0.36 1.04 0.00 -0.55 0.00 0.00 41.25 41.10 3hky s ASN 24 CO 0.02 -0.04 1.85 -0.65 -2.79 0.00 0.00 177.10 175.50 3hky h PRO 25 N 6.99 0.43 -0.19 0.43 0.11 -1.98 0.33 132.00 138.14 3hky h PRO 25 Ca -0.38 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 3hky h PRO 25 Cb 1.15 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hky h PRO 25 CO 0.48 0.29 -0.24 -0.07 -0.21 0.00 0.00 178.00 178.25 3hky h LEU 26 N 0.45 0.53 -0.23 2.35 3.38 -1.96 -2.59 115.31 117.24 3hky h LEU 26 Ca 0.47 -0.51 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3hky h LEU 26 Cb 1.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hky h LEU 26 CO -0.19 0.93 -0.75 0.77 0.09 0.00 0.00 178.44 179.29 3hky h SER 27 N 0.14 0.00 0.54 -0.43 4.64 -1.76 -3.28 113.55 113.41 3hky h SER 27 Ca 0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3hky h SER 27 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3hky h SER 27 CO 0.06 0.75 -0.30 -1.13 -0.87 0.00 0.00 176.83 175.34 3hky h ASN 28 N 0.00 0.00 1.17 4.97 -1.24 -0.83 -1.33 115.58 118.32 3hky h ASN 28 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3hky h ASN 28 Cb 1.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.53 3hky h ASN 28 CO 0.10 0.30 0.00 0.77 -1.29 0.00 0.00 177.43 177.31 3hky h SER 29 N 0.00 0.00 0.07 1.15 4.64 -1.52 -3.19 113.55 114.70 3hky h SER 29 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3hky h SER 29 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 3hky h SER 29 CO 0.04 0.00 -1.82 -0.11 -0.87 0.00 0.00 176.83 174.07 3hky n LEU 30 N -2.62 2.38 -3.52 5.97 7.94 -0.93 -4.71 117.00 121.52 3hky n LEU 30 Ca 0.03 0.26 -0.15 0.00 -1.11 0.00 0.00 56.01 55.04 3hky n LEU 30 Cb 0.34 -1.05 -0.12 0.00 0.53 0.00 0.00 43.42 43.12 3hky n LEU 30 CO 0.26 0.67 -0.16 -0.22 -1.11 0.00 0.00 177.39 176.83 3hky s LEU 31 N -7.30 -0.25 0.07 -1.96 0.20 -0.55 -4.15 118.68 104.75 3hky s LEU 31 Ca -0.26 0.08 0.15 0.00 0.69 0.00 0.00 54.13 54.80 3hky s LEU 31 Cb 0.07 0.59 -0.13 0.00 -0.43 0.00 0.00 46.19 46.29 3hky s LEU 31 CO 0.69 -0.30 0.89 0.03 -0.29 0.00 0.00 176.35 177.37 3hky h ARG 32 N 8.28 0.00 -3.62 1.98 -0.00 -1.00 -3.38 114.38 116.64 3hky h ARG 32 Ca -0.17 0.00 -0.72 0.00 -0.50 0.00 0.00 59.98 58.59 3hky h ARG 32 Cb 1.14 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.04 3hky h ARG 32 CO 0.24 0.38 2.82 0.72 0.00 0.00 0.00 179.97 184.13 3hky n HIS 33 N -2.98 3.14 0.21 3.04 8.25 -0.91 -4.77 115.22 121.21 3hky n HIS 33 Ca -0.09 -2.92 0.06 0.00 -0.26 0.00 0.00 57.72 54.50 3hky n HIS 33 Cb 0.87 -2.30 0.47 0.00 1.12 0.00 0.00 29.99 30.15 3hky n HIS 33 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3hky h HIS 34 N 5.70 0.00 0.00 4.41 2.07 -1.86 -1.99 115.15 123.48 3hky h HIS 34 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 3hky h HIS 34 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 3hky h HIS 34 CO 1.45 0.26 0.00 -0.91 -3.07 0.00 0.00 177.93 175.67 3hky h ASN 35 N 0.00 0.00 1.29 3.10 -0.26 -1.90 -2.28 115.58 115.53 3hky h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hky h ASN 35 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 3hky h ASN 35 CO 0.03 0.00 -0.05 0.23 -1.06 0.00 0.00 177.43 176.58 3hky n MET 36 N -2.65 0.19 -3.67 0.81 2.81 -0.75 -4.79 117.12 109.08 3hky n MET 36 Ca -0.00 0.15 -0.37 0.00 -1.81 0.00 0.00 57.70 55.66 3hky n MET 36 Cb 0.17 -1.71 -0.11 0.00 -0.71 0.00 0.00 33.22 30.86 3hky n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hky s VAL 37 N -3.08 5.07 0.16 2.03 1.01 -0.86 -0.22 120.40 124.51 3hky s VAL 37 Ca 0.11 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3hky s VAL 37 Cb 0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3hky s VAL 37 CO 0.59 0.30 -0.05 -0.72 0.00 0.00 0.00 175.10 175.22 3hky s TYR 38 N 1.50 1.22 0.02 5.22 1.13 -0.56 -3.14 117.35 122.74 3hky s TYR 38 Ca 0.07 -0.90 0.08 0.00 -1.41 0.00 0.00 57.07 54.91 3hky s TYR 38 Cb -0.15 -0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 40.01 3hky s TYR 38 CO 0.07 -0.07 -0.22 0.00 -2.51 0.00 0.00 175.55 172.82 3hky s ALA 39 N -3.50 2.41 0.61 9.51 0.00 -0.41 -1.19 121.76 129.19 3hky s ALA 39 Ca 0.20 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 3hky s ALA 39 Cb 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3hky s ALA 39 CO 0.02 0.55 1.14 0.95 0.00 0.00 0.00 175.76 178.41 3hky s THR 40 N -0.82 3.08 0.25 0.00 -4.23 -0.13 -4.57 115.64 109.22 3hky s THR 40 Ca 0.13 0.59 0.01 0.00 -1.18 0.00 0.00 61.69 61.23 3hky s THR 40 Cb -0.10 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 3hky s THR 40 CO 0.03 -0.22 0.22 0.42 -0.54 0.00 0.00 174.62 174.53 3hky s THR 41 N -1.99 0.00 0.62 3.99 -4.23 -1.26 -4.18 115.64 108.58 3hky s THR 41 Ca 0.71 -1.93 0.42 0.00 -1.18 0.00 0.00 61.69 59.71 3hky s THR 41 Cb -0.24 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.54 3hky s THR 41 CO 0.35 0.00 2.30 0.77 -0.54 0.00 0.00 174.62 177.49 3hky h SER 42 N 2.41 0.00 0.05 3.99 4.64 -1.90 -2.82 113.55 119.91 3hky h SER 42 Ca -0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3hky h SER 42 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hky h SER 42 CO 0.46 0.00 -0.01 0.03 -0.87 0.00 0.00 176.83 176.44 3hky h ARG 43 N 0.00 0.00 -0.57 4.77 3.08 -1.96 -0.36 114.38 119.34 3hky h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hky h ARG 43 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hky h ARG 43 CO 0.00 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 177.78 3hky n SER 44 N -3.58 3.67 -0.30 7.04 3.41 -1.06 -4.65 113.62 118.15 3hky n SER 44 Ca -0.03 -1.99 0.02 0.00 -0.26 0.00 0.00 58.87 56.61 3hky n SER 44 Cb 0.09 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 63.82 3hky n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hky h ALA 45 N 4.14 1.17 0.00 7.33 0.00 -1.21 -2.20 119.26 128.49 3hky h ALA 45 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hky h ALA 45 Cb 0.96 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hky h ALA 45 CO 0.00 0.19 -0.18 0.66 0.00 0.00 0.00 179.25 179.91 3hky h SER 46 N 0.88 0.00 -0.54 0.00 4.64 -1.83 0.60 113.55 117.31 3hky h SER 46 Ca 0.38 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 3hky h SER 46 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3hky h SER 46 CO -0.21 0.18 0.17 -0.07 -0.87 0.00 0.00 176.83 176.04 3hky h LEU 47 N 0.00 0.78 -0.40 5.97 3.38 -1.75 -2.14 115.31 121.15 3hky h LEU 47 Ca -0.00 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3hky h LEU 47 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hky h LEU 47 CO 0.02 0.78 -0.29 -0.09 0.09 0.00 0.00 178.44 178.95 3hky h ARG 48 N 0.74 0.90 -0.82 1.13 9.65 -1.24 -2.94 114.38 121.80 3hky h ARG 48 Ca 0.17 -0.43 0.10 0.00 -1.10 0.00 0.00 59.98 58.72 3hky h ARG 48 Cb 0.28 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 3hky h ARG 48 CO -0.01 1.09 0.46 1.96 2.80 0.00 0.00 179.97 186.27 3hky h GLN 49 N 0.71 0.75 -0.81 0.20 4.20 -0.78 -0.52 115.11 118.86 3hky h GLN 49 Ca 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3hky h GLN 49 Cb 0.87 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 3hky h GLN 49 CO 0.08 0.49 0.48 -0.22 -0.67 0.00 0.00 178.83 178.99 3hky h LYS 50 N 0.77 1.11 -0.43 1.46 3.64 -1.27 -2.88 116.57 118.98 3hky h LYS 50 Ca 0.40 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.53 3hky h LYS 50 Cb 0.39 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3hky h LYS 50 CO -0.26 0.80 -0.27 0.87 -2.27 0.00 0.00 179.45 178.31 3hky h LYS 51 N 1.12 0.94 -0.01 1.90 1.57 -0.97 -3.23 116.57 117.89 3hky h LYS 51 Ca 0.29 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3hky h LYS 51 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hky h LYS 51 CO -0.05 1.10 -0.03 1.33 -0.57 0.00 0.00 179.45 181.23 3hky n VAL 52 N -4.12 0.00 -3.71 0.50 0.24 -0.45 -4.76 118.33 106.03 3hky n VAL 52 Ca -0.01 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.34 61.80 3hky n VAL 52 Cb 0.49 -0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.71 3hky n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hky s THR 53 N -2.13 4.05 0.09 3.34 2.01 -1.10 -4.65 115.64 117.25 3hky s THR 53 Ca 0.39 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 3hky s THR 53 Cb 0.21 -3.24 0.08 0.00 0.01 0.00 0.00 72.50 69.56 3hky s THR 53 CO 0.39 -0.15 0.78 0.72 -0.69 0.00 0.00 174.62 175.67 3hky s PHE 54 N 1.46 -0.38 0.19 4.92 -0.71 -1.26 -4.96 117.98 117.24 3hky s PHE 54 Ca 0.00 0.18 -0.25 0.00 -1.04 0.00 0.00 56.93 55.82 3hky s PHE 54 Cb -0.19 0.57 -0.08 0.00 -1.21 0.00 0.00 43.02 42.11 3hky s PHE 54 CO 0.04 -0.73 0.80 0.34 -1.34 0.00 0.00 175.22 174.32 3hky s ASP 55 N -2.66 7.38 -0.11 1.98 -1.08 -1.26 -1.28 116.67 119.64 3hky s ASP 55 Ca 0.05 1.66 -0.02 0.00 -0.52 0.00 0.00 52.55 53.71 3hky s ASP 55 Cb -0.01 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 3hky s ASP 55 CO -0.08 0.17 -0.02 -0.13 0.52 0.00 0.00 175.17 175.63 3hky s ARG 56 N -1.29 3.23 -0.17 4.34 3.00 -1.05 -4.97 118.95 122.04 3hky s ARG 56 Ca 0.38 -0.47 -0.05 0.00 0.00 0.00 0.00 55.73 55.59 3hky s ARG 56 Cb -0.22 -2.82 -0.03 0.00 0.00 0.00 0.00 34.95 31.87 3hky s ARG 56 CO 0.26 0.51 0.01 -0.51 0.00 0.00 0.00 175.30 175.57 3hky s LEU 57 N -0.37 3.49 -0.06 2.53 1.43 -1.26 -4.88 118.68 119.55 3hky s LEU 57 Ca 0.07 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3hky s LEU 57 Cb -0.12 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.28 3hky s LEU 57 CO 0.02 0.17 0.13 -1.58 0.23 0.00 0.00 176.35 175.32 3hky s GLN 58 N 0.37 0.03 -0.20 1.70 0.74 -1.26 -3.38 119.66 117.66 3hky s GLN 58 Ca -0.01 0.43 -0.01 0.00 0.05 0.00 0.00 55.36 55.82 3hky s GLN 58 Cb -0.13 -0.27 0.06 0.00 1.10 0.00 0.00 33.01 33.77 3hky s GLN 58 CO 0.02 -0.25 -0.01 0.08 -0.55 0.00 0.00 175.29 174.58 3hky s VAL 59 N 1.75 1.00 0.46 1.34 1.01 -0.00 -5.02 120.40 120.94 3hky s VAL 59 Ca -0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3hky s VAL 59 Cb -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3hky s VAL 59 CO -0.05 -0.11 0.80 -0.76 0.00 0.00 0.00 175.10 174.97 3hky s LEU 60 N 1.64 3.67 0.00 3.92 1.43 -1.26 -4.37 118.68 123.72 3hky s LEU 60 Ca -0.03 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 3hky s LEU 60 Cb -0.17 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 3hky s LEU 60 CO -0.07 -0.54 0.25 -0.90 0.23 0.00 0.00 176.35 175.32 3hky n ASP 61 N -1.95 -0.67 -0.21 2.29 5.75 -1.26 -5.04 116.55 115.46 3hky n ASP 61 Ca 0.02 -2.29 -0.09 0.00 -0.01 0.00 0.00 54.79 52.41 3hky n ASP 61 Cb 0.55 1.35 0.02 0.00 -1.03 0.00 0.00 41.12 42.01 3hky n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hky h ASP 62 N 1.27 1.03 -0.55 -1.12 3.32 -1.99 -1.98 116.42 116.40 3hky h ASP 62 Ca -0.16 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.64 3hky h ASP 62 Cb 0.76 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 3hky h ASP 62 CO 0.23 1.08 0.28 0.45 -1.72 0.00 0.00 179.24 179.55 3hky h HIS 63 N 0.96 0.52 -0.24 4.55 3.86 -1.97 0.20 115.15 123.02 3hky h HIS 63 Ca 0.17 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3hky h HIS 63 Cb 0.54 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 3hky h HIS 63 CO 0.04 0.24 0.08 -0.92 0.86 0.00 0.00 177.93 178.23 3hky h TYR 64 N 0.54 0.14 -0.50 2.45 5.03 -1.81 -2.02 116.97 120.79 3hky h TYR 64 Ca 0.25 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.50 3hky h TYR 64 Cb 0.16 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 3hky h TYR 64 CO -0.10 0.06 0.03 0.00 -1.32 0.00 0.00 178.16 176.83 3hky h ARG 65 N 0.19 0.82 -0.34 1.82 3.08 -0.98 -1.27 114.38 117.70 3hky h ARG 65 Ca 0.10 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3hky h ARG 65 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3hky h ARG 65 CO -0.11 0.81 0.15 -0.44 -1.07 0.00 0.00 179.97 179.31 3hky h ASP 66 N 0.77 0.45 -0.48 7.04 3.32 -0.87 -2.07 116.42 124.59 3hky h ASP 66 Ca 0.15 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3hky h ASP 66 Cb 0.43 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3hky h ASP 66 CO 0.02 0.47 -0.00 0.58 -1.72 0.00 0.00 179.24 178.59 3hky h VAL 67 N 0.41 1.26 -0.27 -1.35 2.07 -1.18 -2.57 116.25 114.62 3hky h VAL 67 Ca 0.12 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.61 3hky h VAL 67 Cb 0.15 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3hky h VAL 67 CO -0.01 0.37 -0.02 0.25 0.02 0.00 0.00 177.57 178.18 3hky h LEU 68 N 0.71 -0.16 -0.87 2.57 6.46 -1.14 -0.53 115.31 122.36 3hky h LEU 68 Ca 0.14 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 3hky h LEU 68 Cb 0.51 0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.51 3hky h LEU 68 CO 0.03 -0.05 0.54 0.11 -0.62 0.00 0.00 178.44 178.45 3hky h LYS 69 N 0.05 0.95 -0.73 1.25 1.57 -1.28 0.14 116.57 118.53 3hky h LYS 69 Ca 0.13 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3hky h LYS 69 Cb 0.18 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3hky h LYS 69 CO -0.24 0.63 0.25 0.93 -0.57 0.00 0.00 179.45 180.45 3hky h GLU 70 N 0.98 1.12 -0.54 3.15 5.08 -0.99 -1.24 114.58 122.14 3hky h GLU 70 Ca 0.38 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3hky h GLU 70 Cb 0.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3hky h GLU 70 CO -0.18 0.95 -0.05 0.52 -1.00 0.00 0.00 179.01 179.25 3hky h MET 71 N 1.07 0.98 -0.68 2.33 2.86 -0.21 -2.91 114.93 118.36 3hky h MET 71 Ca 0.24 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3hky h MET 71 Cb 0.28 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3hky h MET 71 CO -0.01 1.01 0.15 0.87 1.06 0.00 0.00 176.91 179.99 3hky h LYS 72 N 0.85 1.10 -0.58 1.72 1.57 -0.49 -1.39 116.57 119.35 3hky h LYS 72 Ca 0.15 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3hky h LYS 72 Cb 0.60 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3hky h LYS 72 CO 0.04 0.98 0.38 0.00 -0.57 0.00 0.00 179.45 180.28 3hky h ALA 73 N 1.11 1.68 -0.08 3.86 0.00 -1.14 -1.08 119.26 123.62 3hky h ALA 73 Ca 0.21 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 3hky h ALA 73 Cb 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hky h ALA 73 CO 0.00 0.26 -0.89 0.87 0.00 0.00 0.00 179.25 179.49 3hky h LYS 74 N 0.69 0.74 -0.31 0.00 1.57 -1.26 -3.24 116.57 114.77 3hky h LYS 74 Ca 0.23 -0.69 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3hky h LYS 74 Cb 0.06 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3hky h LYS 74 CO -0.06 1.29 0.21 0.00 -0.57 0.00 0.00 179.45 180.32 3hky h ALA 75 N 0.47 1.95 0.00 3.86 0.00 -0.82 -2.45 119.26 122.27 3hky h ALA 75 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hky h ALA 75 Cb 1.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3hky h ALA 75 CO 0.18 0.00 0.02 0.43 0.00 0.00 0.00 179.25 179.89 3hky n SER 76 N -4.49 0.26 0.00 0.00 7.64 -0.45 -1.47 113.62 115.12 3hky n SER 76 Ca 0.03 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.63 3hky n SER 76 Cb 0.18 -0.63 0.27 0.00 -1.01 0.00 0.00 64.21 63.02 3hky n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hky n THR 77 N -1.84 0.02 -3.23 0.44 -2.24 -0.92 -4.85 114.28 101.65 3hky n THR 77 Ca -0.01 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 3hky n THR 77 Cb 0.04 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 3hky n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hky s VAL 78 N -3.01 4.77 -0.18 2.28 1.01 -0.54 -4.99 120.40 119.74 3hky s VAL 78 Ca 0.11 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3hky s VAL 78 Cb 0.17 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3hky s VAL 78 CO 0.69 0.51 -0.20 -0.75 0.00 0.00 0.00 175.10 175.35 3hky s LYS 79 N -0.80 2.94 0.02 2.72 2.20 -1.26 -0.54 119.74 125.02 3hky s LYS 79 Ca 0.30 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 3hky s LYS 79 Cb -0.19 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 3hky s LYS 79 CO 0.19 -0.20 -0.04 0.00 -0.36 0.00 0.00 175.35 174.94 3hky s ALA 80 N 1.28 3.14 0.09 3.13 0.00 -0.26 -4.90 121.76 124.24 3hky s ALA 80 Ca 0.04 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.01 3hky s ALA 80 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3hky s ALA 80 CO -0.12 0.64 0.13 -1.59 0.00 0.00 0.00 175.76 174.82 3hky s LYS 81 N -1.63 3.05 0.17 0.00 -2.85 -1.26 -4.48 119.74 112.73 3hky s LYS 81 Ca 0.19 -0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 54.20 3hky s LYS 81 Cb -0.11 -2.80 -0.08 0.00 -2.06 0.00 0.00 37.83 32.78 3hky s LYS 81 CO 0.10 0.56 1.16 -0.51 0.10 0.00 0.00 175.35 176.76 3hky s LEU 82 N -2.59 4.45 0.34 2.77 1.43 -1.26 -4.55 118.68 119.27 3hky s LEU 82 Ca 0.31 2.14 -0.25 0.00 -1.03 0.00 0.00 54.13 55.30 3hky s LEU 82 Cb -0.12 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 3hky s LEU 82 CO 0.24 -0.32 0.96 -0.76 0.23 0.00 0.00 176.35 176.69 3hky s LEU 83 N -0.12 4.29 0.89 1.79 1.02 -0.37 -5.05 118.68 121.12 3hky s LEU 83 Ca 0.52 1.85 -0.11 0.00 0.02 0.00 0.00 54.13 56.41 3hky s LEU 83 Cb -0.31 -4.07 0.13 0.00 0.02 0.00 0.00 46.19 41.96 3hky s LEU 83 CO 0.35 -0.13 1.09 -0.94 0.02 0.00 0.00 176.35 176.74 3hky s SER 84 N -1.65 3.47 0.29 2.29 1.04 -1.26 -4.74 113.70 113.14 3hky s SER 84 Ca 0.52 1.58 0.02 0.00 0.48 0.00 0.00 55.95 58.55 3hky s SER 84 Cb -0.18 -2.25 0.58 0.00 0.10 0.00 0.00 66.02 64.26 3hky s SER 84 CO 0.23 -2.66 1.84 0.40 0.98 0.00 0.00 173.24 174.04 3hky h ILE 85 N -1.56 0.92 -0.25 -1.02 2.04 -1.98 -1.57 117.51 114.08 3hky h ILE 85 Ca -0.49 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3hky h ILE 85 Cb 1.28 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3hky h ILE 85 CO 0.53 0.18 0.09 -0.08 0.00 0.00 0.00 178.15 178.87 3hky h GLU 86 N 0.97 0.39 -0.70 2.37 4.81 -1.99 -1.37 114.58 119.07 3hky h GLU 86 Ca 0.49 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3hky h GLU 86 Cb 0.50 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3hky h GLU 86 CO -0.26 0.45 0.21 0.93 -0.73 0.00 0.00 179.01 179.61 3hky h GLU 87 N 0.25 1.10 -0.52 1.92 5.08 -1.82 -1.96 114.58 118.64 3hky h GLU 87 Ca 0.08 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 3hky h GLU 87 Cb 0.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3hky h GLU 87 CO -0.00 0.95 0.01 0.00 -1.00 0.00 0.00 179.01 178.97 3hky h ALA 88 N 1.10 0.70 -0.35 3.43 0.00 -1.16 -2.51 119.26 120.46 3hky h ALA 88 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hky h ALA 88 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hky h ALA 88 CO -0.00 0.50 0.16 0.00 0.00 0.00 0.00 179.25 179.91 3hky n LYS 90 N -4.73 0.15 -0.00 0.00 5.02 -0.75 -0.68 118.16 117.17 3hky n LYS 90 Ca -0.01 0.49 0.15 0.00 -2.02 0.00 0.00 58.31 56.92 3hky n LYS 90 Cb 0.11 -1.86 0.79 0.00 -0.02 0.00 0.00 35.03 34.05 3hky n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hky n LEU 91 N -2.16 0.49 -4.70 -0.35 4.77 -0.96 -4.84 117.00 109.25 3hky n LEU 91 Ca 0.01 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.42 3hky n LEU 91 Cb 0.15 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3hky n LEU 91 CO 0.15 0.08 0.42 -0.89 -1.33 0.00 0.00 177.39 175.82 3hky s THR 92 N -2.00 5.02 0.42 -5.08 2.01 0.15 -1.15 115.64 115.00 3hky s THR 92 Ca 0.44 1.40 -0.26 0.00 0.31 0.00 0.00 61.69 63.57 3hky s THR 92 Cb 0.21 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 3hky s THR 92 CO 0.35 0.18 1.40 -2.84 -0.69 0.00 0.00 174.62 173.02 3hky s PRO 93 N 1.27 3.88 0.57 4.92 0.02 -1.26 -4.79 135.00 139.61 3hky s PRO 93 Ca 0.35 2.36 0.33 0.00 0.02 0.00 0.00 61.00 64.07 3hky s PRO 93 Cb -0.17 -2.77 1.71 0.00 0.02 0.00 0.00 34.50 33.30 3hky s PRO 93 CO 0.15 -0.64 2.15 -1.35 -0.33 0.00 0.00 177.00 176.98 3hky h PRO 94 N 2.61 0.00 -0.36 5.54 0.11 -1.96 -2.03 132.00 135.90 3hky h PRO 94 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hky h PRO 94 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hky h PRO 94 CO 0.62 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 179.19 3hky n HIS 95 N -3.42 1.27 -1.80 0.65 8.25 -1.26 -4.25 115.22 114.66 3hky n HIS 95 Ca -0.02 -0.82 -0.39 0.00 -0.26 0.00 0.00 57.72 56.24 3hky n HIS 95 Cb 0.20 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 30.97 3hky n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hky s SER 96 N -1.55 5.64 0.04 0.41 0.15 -0.77 -4.89 113.70 112.73 3hky s SER 96 Ca 0.45 2.85 -0.35 0.00 0.70 0.00 0.00 55.95 59.60 3hky s SER 96 Cb 0.36 -2.65 -0.14 0.00 -1.71 0.00 0.00 66.02 61.88 3hky s SER 96 CO 0.12 -1.33 1.62 0.00 1.20 0.00 0.00 173.24 174.85 3hky n ALA 97 N -0.53 0.62 -0.62 5.45 0.00 -1.26 -4.15 120.51 120.02 3hky n ALA 97 Ca 0.07 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 3hky n ALA 97 Cb 0.43 -2.32 0.19 0.00 0.00 0.00 0.00 19.45 17.75 3hky n ALA 97 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hky n LYS 98 N 4.24 -1.12 -3.02 0.00 2.85 -1.26 -4.53 118.16 115.31 3hky n LYS 98 Ca 0.20 -0.28 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 3hky n LYS 98 Cb 0.25 -2.25 -0.05 0.00 -0.65 0.00 0.00 35.03 32.33 3hky n LYS 98 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3hky s SER 99 N -2.49 6.69 0.25 -5.58 0.15 -0.17 -4.55 113.70 108.00 3hky s SER 99 Ca 0.66 1.24 0.22 0.00 0.70 0.00 0.00 55.95 58.78 3hky s SER 99 Cb -0.23 -2.36 0.97 0.00 -1.71 0.00 0.00 66.02 62.68 3hky s SER 99 CO 0.61 -0.28 1.67 0.29 1.20 0.00 0.00 173.24 176.74 3hky n LYS 100 N -0.70 0.17 -1.22 5.44 5.02 -1.26 -3.75 118.16 121.85 3hky n LYS 100 Ca 0.03 0.45 -0.24 0.00 -2.02 0.00 0.00 58.31 56.53 3hky n LYS 100 Cb 0.53 -1.85 0.16 0.00 -0.02 0.00 0.00 35.03 33.85 3hky n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hky n PHE 101 N -2.18 2.82 -0.54 2.13 3.72 -1.26 -4.90 117.46 117.24 3hky n PHE 101 Ca 0.02 -2.09 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 3hky n PHE 101 Cb 0.19 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 3hky n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hky n GLY 102 N -1.08 0.94 3.42 1.37 0.00 -1.25 -5.04 105.19 103.56 3hky n GLY 102 Ca 0.56 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3hky n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hky s TYR 103 N -2.00 -0.49 0.13 1.61 1.13 -1.26 -4.98 117.35 111.49 3hky s TYR 103 Ca 0.00 0.48 0.01 0.00 -1.41 0.00 0.00 57.07 56.14 3hky s TYR 103 Cb 0.00 0.43 -0.00 0.00 -1.10 0.00 0.00 41.96 41.29 3hky s TYR 103 CO 0.00 -0.72 0.03 0.41 -2.51 0.00 0.00 175.55 172.76 3hky n GLY 104 N 0.13 3.90 0.35 5.49 0.00 -1.26 -1.00 105.19 112.80 3hky n GLY 104 Ca -0.18 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.83 3hky n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hky h ALA 105 N 1.16 1.43 -0.41 4.61 0.00 -1.83 -1.67 119.26 122.54 3hky h ALA 105 Ca -0.11 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3hky h ALA 105 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hky h ALA 105 CO 0.17 0.16 -0.18 0.87 0.00 0.00 0.00 179.25 180.27 3hky h LYS 106 N 0.91 0.79 -0.68 0.00 1.57 -1.88 0.60 116.57 117.89 3hky h LYS 106 Ca 0.48 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3hky h LYS 106 Cb 0.49 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3hky h LYS 106 CO -0.27 0.92 0.37 -0.44 -0.57 0.00 0.00 179.45 179.46 3hky h ASP 107 N 0.70 0.85 -0.09 0.86 3.32 -1.76 -0.12 116.42 120.18 3hky h ASP 107 Ca 0.10 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hky h ASP 107 Cb 0.69 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3hky h ASP 107 CO 0.05 0.70 0.05 0.58 -1.72 0.00 0.00 179.24 178.90 3hky h VAL 108 N 0.93 1.10 -0.13 -1.35 2.07 -0.76 -1.43 116.25 116.68 3hky h VAL 108 Ca 0.24 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3hky h VAL 108 Cb 0.04 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3hky h VAL 108 CO -0.04 0.09 -0.25 0.03 0.02 0.00 0.00 177.57 177.42 3hky h ARG 109 N 0.04 0.22 -0.00 1.57 3.08 -0.81 -2.01 114.38 116.47 3hky h ARG 109 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hky h ARG 109 Cb 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hky h ARG 109 CO -0.00 0.47 -0.00 0.09 -1.07 0.00 0.00 179.97 179.45 3hky n ASN 110 N -4.17 0.02 -3.80 7.04 3.02 -0.07 -4.79 115.26 112.51 3hky n ASN 110 Ca -0.01 -0.81 -0.28 0.00 -0.03 0.00 0.00 54.58 53.45 3hky n ASN 110 Cb 0.36 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.51 3hky n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hky n LEU 111 N -1.05 -2.87 -4.76 3.41 4.77 -0.76 -4.93 117.00 110.81 3hky n LEU 111 Ca 0.22 -0.71 -0.38 0.00 -0.03 0.00 0.00 56.01 55.11 3hky n LEU 111 Cb 0.14 -2.72 0.01 0.00 -2.33 0.00 0.00 43.42 38.52 3hky n LEU 111 CO 0.19 0.52 0.91 -0.94 -1.33 0.00 0.00 177.39 176.74 3hky s SER 112 N -3.40 5.94 0.32 -1.43 1.04 -0.61 -4.80 113.70 110.77 3hky s SER 112 Ca 0.59 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.56 3hky s SER 112 Cb -0.28 -2.62 0.54 0.00 0.10 0.00 0.00 66.02 63.75 3hky s SER 112 CO 0.80 -1.09 1.99 0.77 0.98 0.00 0.00 173.24 176.68 3hky h SER 113 N 2.05 0.84 -0.40 7.02 4.64 -1.91 -0.21 113.55 125.58 3hky h SER 113 Ca -0.50 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.76 3hky h SER 113 Cb 1.26 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3hky h SER 113 CO 0.60 0.61 0.12 -0.09 -0.87 0.00 0.00 176.83 177.20 3hky h ARG 114 N 0.99 0.62 -0.06 4.77 2.43 -1.97 0.11 114.38 121.28 3hky h ARG 114 Ca 0.27 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3hky h ARG 114 Cb -0.10 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3hky h ARG 114 CO -0.06 0.63 0.02 0.00 -1.51 0.00 0.00 179.97 179.05 3hky h ALA 115 N 0.97 0.07 -0.56 2.80 0.00 -1.76 -2.44 119.26 118.35 3hky h ALA 115 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hky h ALA 115 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hky h ALA 115 CO -0.00 -0.34 0.31 0.28 0.00 0.00 0.00 179.25 179.49 3hky h VAL 116 N -0.07 1.18 -0.71 0.00 2.07 -0.92 -0.44 116.25 117.36 3hky h VAL 116 Ca 0.02 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3hky h VAL 116 Cb 0.17 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3hky h VAL 116 CO -0.00 0.20 0.43 0.78 0.02 0.00 0.00 177.57 179.00 3hky h ASN 117 N 0.75 0.68 -0.43 0.57 2.35 -0.79 0.11 115.58 118.82 3hky h ASN 117 Ca 0.20 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 3hky h ASN 117 Cb 0.05 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3hky h ASN 117 CO -0.03 0.46 -0.19 0.45 -1.65 0.00 0.00 177.43 176.47 3hky h HIS 118 N 0.82 1.02 -0.59 1.19 3.86 -1.09 -1.58 115.15 118.78 3hky h HIS 118 Ca 0.30 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3hky h HIS 118 Cb 0.09 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3hky h HIS 118 CO -0.05 1.03 0.30 0.82 0.86 0.00 0.00 177.93 180.89 3hky h ILE 119 N 0.71 1.20 -0.92 2.45 2.04 -0.61 -0.65 117.51 121.73 3hky h ILE 119 Ca 0.10 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hky h ILE 119 Cb 0.75 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3hky h ILE 119 CO 0.06 0.23 0.57 0.03 0.00 0.00 0.00 178.15 179.04 3hky h ARG 120 N 0.80 1.24 -0.37 2.37 3.08 -0.61 -1.21 114.38 119.67 3hky h ARG 120 Ca 0.20 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 3hky h ARG 120 Cb 0.09 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3hky h ARG 120 CO -0.03 0.85 -0.21 0.66 -1.07 0.00 0.00 179.97 180.18 3hky h SER 121 N 1.27 0.73 -0.47 7.04 4.64 -0.64 -2.03 113.55 124.08 3hky h SER 121 Ca 0.33 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3hky h SER 121 Cb -0.08 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 3hky h SER 121 CO -0.07 0.92 0.07 0.58 -0.87 0.00 0.00 176.83 177.47 3hky h VAL 122 N 0.63 1.25 -0.18 0.95 2.07 -0.78 -1.12 116.25 119.08 3hky h VAL 122 Ca 0.09 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3hky h VAL 122 Cb 0.69 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3hky h VAL 122 CO 0.05 0.32 0.08 -0.25 0.02 0.00 0.00 177.57 177.80 3hky h TRP 123 N 0.65 0.26 -0.31 1.57 2.91 -1.14 -2.03 115.95 117.86 3hky h TRP 123 Ca 0.14 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 3hky h TRP 123 Cb 0.39 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 3hky h TRP 123 CO 0.03 0.29 0.07 0.93 -1.03 0.00 0.00 178.44 178.74 3hky h GLU 124 N 0.15 0.45 -0.62 2.65 4.39 -1.23 -1.76 114.58 118.61 3hky h GLU 124 Ca 0.06 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3hky h GLU 124 Cb 0.14 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3hky h GLU 124 CO -0.01 0.42 0.19 0.22 -1.16 0.00 0.00 179.01 178.67 3hky h ASP 125 N 0.44 0.88 0.10 1.42 1.82 -1.02 -2.09 116.42 117.98 3hky h ASP 125 Ca 0.11 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.54 3hky h ASP 125 Cb 0.18 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 3hky h ASP 125 CO -0.00 0.84 -0.18 -0.07 -1.61 0.00 0.00 179.24 178.21 3hky h LEU 126 N 0.92 0.16 -0.37 2.28 3.38 -0.59 -0.35 115.31 120.74 3hky h LEU 126 Ca 0.20 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3hky h LEU 126 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hky h LEU 126 CO -0.01 0.36 -0.75 -0.07 0.09 0.00 0.00 178.44 178.06 3hky h LEU 127 N 0.16 0.00 0.04 1.67 3.38 -1.17 -3.37 115.31 116.01 3hky h LEU 127 Ca 0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 3hky h LEU 127 Cb 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3hky h LEU 127 CO 0.03 0.75 -2.21 -0.62 0.09 0.00 0.00 178.44 176.48 3hky n GLU 128 N -3.52 0.69 -3.81 1.13 1.02 -0.81 -4.90 120.64 110.44 3hky n GLU 128 Ca -0.00 0.17 -0.36 0.00 -0.02 0.00 0.00 57.16 56.95 3hky n GLU 128 Cb 0.76 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 30.43 3hky n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hky s ASP 129 N -6.41 4.89 0.00 1.62 -1.08 -0.15 -4.98 116.67 110.56 3hky s ASP 129 Ca -0.22 -0.66 0.21 0.00 -0.52 0.00 0.00 52.55 51.36 3hky s ASP 129 Cb 0.08 -1.83 0.10 0.00 -1.46 0.00 0.00 42.92 39.80 3hky s ASP 129 CO 0.73 -0.15 1.12 0.35 0.52 0.00 0.00 175.17 177.74 3hky n THR 130 N 4.83 0.00 0.00 1.71 -2.24 -1.26 -4.61 114.28 112.70 3hky n THR 130 Ca -0.15 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3hky n THR 130 Cb 0.48 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 70.08 3hky n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hky n GLU 131 N 0.69 0.61 -1.95 -0.78 1.02 -1.26 -4.63 120.64 114.33 3hky n GLU 131 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 3hky n GLU 131 Cb 0.50 -0.65 -0.03 0.00 -0.02 0.00 0.00 31.44 31.24 3hky n GLU 131 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hky s THR 132 N -1.30 3.43 0.35 2.62 2.01 -1.26 -4.68 115.64 116.82 3hky s THR 132 Ca 0.00 0.58 -0.28 0.00 0.31 0.00 0.00 61.69 62.29 3hky s THR 132 Cb 0.00 -3.37 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 3hky s THR 132 CO 0.00 -0.04 1.41 -2.65 -0.69 0.00 0.00 174.62 172.65 3hky n PRO 133 N 7.00 2.43 -3.32 4.92 -0.02 -1.26 -4.72 135.00 140.04 3hky n PRO 133 Ca 0.17 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 62.12 3hky n PRO 133 Cb 0.42 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 3hky n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hky s ILE 134 N -1.01 4.80 0.47 4.25 1.01 0.32 -4.93 121.20 126.11 3hky s ILE 134 Ca 0.55 1.14 -0.23 0.00 0.00 0.00 0.00 60.65 62.11 3hky s ILE 134 Cb -0.52 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 3hky s ILE 134 CO 0.62 0.56 1.21 -0.62 0.00 0.00 0.00 174.94 176.70 3hky s ASP 135 N -1.07 6.05 0.14 3.58 2.15 -1.26 -4.39 116.67 121.87 3hky s ASP 135 Ca 0.28 2.42 0.07 0.00 0.43 0.00 0.00 52.55 55.75 3hky s ASP 135 Cb -0.19 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 3hky s ASP 135 CO 0.18 -1.01 -0.16 0.42 -0.17 0.00 0.00 175.17 174.42 3hky s THR 136 N -1.47 1.58 -0.09 1.71 -4.23 -1.01 -4.41 115.64 107.72 3hky s THR 136 Ca 0.64 -1.80 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 3hky s THR 136 Cb -0.32 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 3hky s THR 136 CO 0.38 -0.34 0.23 -0.89 -0.54 0.00 0.00 174.62 173.46 3hky s THR 137 N -2.03 5.35 -0.12 3.99 2.01 -0.43 -0.88 115.64 123.53 3hky s THR 137 Ca 0.12 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 3hky s THR 137 Cb -0.06 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 3hky s THR 137 CO 0.05 0.58 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.97 3hky s ILE 138 N -0.88 3.57 0.05 1.82 2.07 -0.22 -2.15 121.20 125.47 3hky s ILE 138 Ca 0.17 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 58.93 3hky s ILE 138 Cb -0.13 -2.51 -0.03 0.00 0.13 0.00 0.00 42.46 39.91 3hky s ILE 138 CO 0.06 0.53 -0.06 -0.04 -1.91 0.00 0.00 174.94 173.53 3hky s MET 139 N 0.01 0.55 0.02 3.50 -1.94 -0.34 -4.36 119.30 116.74 3hky s MET 139 Ca -0.01 -0.90 -0.22 0.00 -1.71 0.00 0.00 55.69 52.84 3hky s MET 139 Cb -0.14 -0.10 -0.06 0.00 2.01 0.00 0.00 34.83 36.55 3hky s MET 139 CO 0.03 -0.01 0.66 0.00 -0.01 0.00 0.00 175.02 175.69 3hky s ALA 140 N -2.22 3.45 0.00 3.03 0.00 -1.26 -0.34 121.76 124.42 3hky s ALA 140 Ca -0.05 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 3hky s ALA 140 Cb -0.04 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 3hky s ALA 140 CO -0.02 0.15 0.72 0.21 0.00 0.00 0.00 175.76 176.82 3hky s LYS 141 N -0.23 4.45 -0.30 0.00 2.20 0.14 -4.82 119.74 121.18 3hky s LYS 141 Ca 0.33 0.96 -0.19 0.00 -0.36 0.00 0.00 55.97 56.71 3hky s LYS 141 Cb -0.19 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3hky s LYS 141 CO 0.19 0.23 0.59 0.45 -0.36 0.00 0.00 175.35 176.45 3hky s SER 142 N 0.19 6.46 0.02 1.43 0.15 -1.26 -4.25 113.70 116.45 3hky s SER 142 Ca 0.37 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.43 3hky s SER 142 Cb -0.19 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 3hky s SER 142 CO 0.21 -0.43 -0.04 -1.61 1.20 0.00 0.00 173.24 172.57 3hky s GLU 143 N 2.51 0.36 -0.20 5.44 2.02 -1.26 -4.90 118.70 122.67 3hky s GLU 143 Ca 0.24 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.47 3hky s GLU 143 Cb -0.15 0.05 -0.05 0.00 0.10 0.00 0.00 34.13 34.08 3hky s GLU 143 CO 0.11 -0.04 0.14 0.08 0.02 0.00 0.00 175.26 175.57 3hky s VAL 144 N -1.54 5.40 0.29 2.63 1.01 -1.26 -0.96 120.40 125.98 3hky s VAL 144 Ca -0.14 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3hky s VAL 144 Cb -0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3hky s VAL 144 CO -0.01 0.43 0.14 -0.36 0.00 0.00 0.00 175.10 175.30 3hky s PHE 145 N 0.40 1.58 -0.06 5.22 0.08 -0.33 -4.75 117.98 120.11 3hky s PHE 145 Ca 0.08 -1.31 -0.08 0.00 0.12 0.00 0.00 56.93 55.74 3hky s PHE 145 Cb -0.11 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 3hky s PHE 145 CO -0.01 -0.46 0.21 0.00 -0.10 0.00 0.00 175.22 174.86 3hky n VAL 147 N 1.69 2.46 -3.79 0.00 0.24 0.69 -4.97 118.33 114.65 3hky n VAL 147 Ca -0.16 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.35 3hky n VAL 147 Cb 0.54 -1.64 -0.12 0.00 -1.47 0.00 0.00 33.84 31.15 3hky n VAL 147 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hky s GLN 148 N -2.18 1.92 0.58 7.34 -0.21 -1.04 -4.97 119.66 121.09 3hky s GLN 148 Ca 0.60 -2.80 0.36 0.00 0.02 0.00 0.00 55.36 53.54 3hky s GLN 148 Cb -0.51 -2.88 1.67 0.00 1.00 0.00 0.00 33.01 32.29 3hky s GLN 148 CO 0.59 -1.25 2.10 -1.00 -2.12 0.00 0.00 175.29 173.61 3hky h PRO 149 N 5.84 0.00 0.17 2.91 0.13 -1.80 -1.07 132.00 138.18 3hky h PRO 149 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3hky h PRO 149 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3hky h PRO 149 CO 0.61 0.03 -0.08 0.93 -0.23 0.00 0.00 178.00 179.26 3hky h GLU 150 N 0.00 -0.21 -0.56 0.86 5.08 -1.96 -3.34 114.58 114.44 3hky h GLU 150 Ca -0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 3hky h GLU 150 Cb 0.35 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hky h GLU 150 CO 0.00 -0.14 0.43 0.87 -1.00 0.00 0.00 179.01 179.17 3hky h LYS 151 N -0.62 0.00 0.00 2.33 1.57 -1.99 -3.46 116.57 114.40 3hky h LYS 151 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hky h LYS 151 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hky h LYS 151 CO 0.04 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.33 3hky n GLY 152 N -1.62 -0.72 2.01 3.86 0.00 -0.41 -5.06 105.19 103.25 3hky n GLY 152 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3hky n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 153 N 0.00 -0.36 2.89 -0.02 0.00 -1.17 -3.74 105.19 102.79 3hky n GLY 153 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3hky n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hky s ARG 154 N -1.49 0.13 0.24 1.61 0.52 -1.26 -2.50 118.95 116.20 3hky s ARG 154 Ca 0.00 -0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 3hky s ARG 154 Cb 0.00 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.24 3hky s ARG 154 CO 0.00 0.02 1.01 0.15 0.02 0.00 0.00 175.30 176.50 3hky s LYS 155 N 0.06 4.74 0.70 3.54 1.02 -1.26 -5.04 119.74 123.50 3hky s LYS 155 Ca -0.00 1.62 -0.12 0.00 0.02 0.00 0.00 55.97 57.49 3hky s LYS 155 Cb -0.02 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3hky s LYS 155 CO -0.00 0.34 1.08 -2.14 -0.92 0.00 0.00 175.35 173.71 3hky s PRO 156 N -1.11 2.74 0.56 -1.68 0.02 -1.26 -4.87 135.00 129.40 3hky s PRO 156 Ca 0.43 1.12 -0.21 0.00 0.02 0.00 0.00 61.00 62.37 3hky s PRO 156 Cb -0.28 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3hky s PRO 156 CO 0.35 -1.26 1.33 0.00 -0.33 0.00 0.00 177.00 177.09 3hky s ALA 157 N -2.82 2.73 0.48 -1.55 0.00 -1.26 -4.96 121.76 114.37 3hky s ALA 157 Ca 0.61 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 3hky s ALA 157 Cb -0.16 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 3hky s ALA 157 CO 0.51 -1.37 0.95 1.03 0.00 0.00 0.00 175.76 176.87 3hky s ARG 158 N -3.01 3.99 -0.11 0.00 0.52 -1.26 -4.67 118.95 114.41 3hky s ARG 158 Ca 0.74 0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 56.84 3hky s ARG 158 Cb -0.39 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 3hky s ARG 158 CO 0.45 -0.18 0.03 -0.51 0.02 0.00 0.00 175.30 175.11 3hky s LEU 159 N -3.82 3.73 0.02 2.53 1.43 -1.26 0.28 118.68 121.58 3hky s LEU 159 Ca 0.59 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 3hky s LEU 159 Cb -0.10 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3hky s LEU 159 CO 0.27 0.34 -0.21 -0.51 0.23 0.00 0.00 176.35 176.47 3hky s ILE 160 N -0.66 2.53 -0.09 -0.59 1.10 0.53 -4.89 121.20 119.13 3hky s ILE 160 Ca 0.11 -1.16 0.00 0.00 -0.51 0.00 0.00 60.65 59.09 3hky s ILE 160 Cb -0.12 -2.00 0.02 0.00 0.15 0.00 0.00 42.46 40.51 3hky s ILE 160 CO 0.02 0.43 -0.07 -0.69 -2.11 0.00 0.00 174.94 172.52 3hky s VAL 161 N -0.81 0.88 -0.04 4.00 1.01 -1.26 -1.20 120.40 122.98 3hky s VAL 161 Ca 0.13 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 3hky s VAL 161 Cb -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3hky s VAL 161 CO 0.03 0.33 0.21 0.72 0.00 0.00 0.00 175.10 176.39 3hky s PHE 162 N 1.45 -0.13 0.93 5.22 -0.71 -0.91 -1.20 117.98 122.62 3hky s PHE 162 Ca -0.01 0.28 -0.13 0.00 -1.04 0.00 0.00 56.93 56.03 3hky s PHE 162 Cb -0.13 0.04 0.20 0.00 -1.21 0.00 0.00 43.02 41.92 3hky s PHE 162 CO -0.04 -0.24 1.27 -1.25 -1.34 0.00 0.00 175.22 173.62 3hky s PRO 163 N -0.71 0.68 0.68 1.99 0.04 -1.26 -1.31 135.00 135.10 3hky s PRO 163 Ca -0.08 -0.66 -0.15 0.00 0.04 0.00 0.00 61.00 60.15 3hky s PRO 163 Cb -0.04 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.57 3hky s PRO 163 CO 0.02 -2.32 1.15 0.34 0.04 0.00 0.00 177.00 176.22 3hky s ASP 164 N -4.91 4.77 0.28 6.66 2.15 -1.26 -4.76 116.67 119.60 3hky s ASP 164 Ca 0.74 2.15 0.03 0.00 0.43 0.00 0.00 52.55 55.90 3hky s ASP 164 Cb -0.03 -2.57 0.66 0.00 -0.30 0.00 0.00 42.92 40.68 3hky s ASP 164 CO 0.52 -1.87 1.74 0.25 -0.17 0.00 0.00 175.17 175.64 3hky h LEU 165 N -0.05 0.53 -0.98 -1.34 5.85 -1.80 -0.88 115.31 116.64 3hky h LEU 165 Ca -0.47 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3hky h LEU 165 Cb 1.27 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3hky h LEU 165 CO 0.52 0.16 0.40 1.23 -0.34 0.00 0.00 178.44 180.41 3hky h GLY 166 N 0.58 1.20 0.97 3.75 0.00 -1.95 -1.89 103.07 105.73 3hky h GLY 166 Ca 0.53 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3hky h GLY 166 CO -0.43 0.54 -0.12 -2.08 0.00 0.00 0.00 176.54 174.46 3hky h VAL 167 N 1.12 1.28 -0.74 4.60 2.07 -1.55 -2.70 116.25 120.32 3hky h VAL 167 Ca 0.28 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.64 3hky h VAL 167 Cb 0.08 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3hky h VAL 167 CO -0.04 0.40 0.44 0.03 0.02 0.00 0.00 177.57 178.42 3hky h ARG 168 N 0.54 0.80 -0.20 1.57 3.08 -0.92 0.36 114.38 119.59 3hky h ARG 168 Ca 0.09 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3hky h ARG 168 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3hky h ARG 168 CO 0.04 0.53 0.12 0.28 -1.07 0.00 0.00 179.97 179.87 3hky h VAL 169 N 0.82 1.03 -0.82 2.04 2.07 -1.30 -2.55 116.25 117.54 3hky h VAL 169 Ca 0.32 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.79 3hky h VAL 169 Cb 0.15 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3hky h VAL 169 CO -0.17 0.05 0.54 0.00 0.02 0.00 0.00 177.57 178.01 3hky h GLU 171 N 1.01 0.46 -0.24 0.00 5.08 -0.64 -2.23 114.58 118.02 3hky h GLU 171 Ca 0.33 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3hky h GLU 171 Cb 0.06 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3hky h GLU 171 CO -0.10 0.31 -0.09 0.87 -1.00 0.00 0.00 179.01 179.00 3hky h LYS 172 N 0.48 -0.04 -0.66 2.33 1.57 -0.95 0.85 116.57 120.14 3hky h LYS 172 Ca 0.19 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.10 3hky h LYS 172 Cb 0.08 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 3hky h LYS 172 CO -0.12 -0.03 0.19 0.52 -0.57 0.00 0.00 179.45 179.43 3hky h MET 173 N -0.05 0.31 0.12 3.15 2.86 -0.93 -0.68 114.93 119.71 3hky h MET 173 Ca 0.12 -0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.45 3hky h MET 173 Cb 0.23 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 3hky h MET 173 CO -0.27 0.21 -1.41 0.00 1.06 0.00 0.00 176.91 176.50 3hky h ALA 174 N 1.51 0.21 0.00 6.32 0.00 -1.16 -0.97 119.26 125.17 3hky h ALA 174 Ca 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3hky h ALA 174 Cb 0.53 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hky h ALA 174 CO -0.41 1.08 0.00 1.28 0.00 0.00 0.00 179.25 181.20 3hky n LEU 175 N -3.48 0.47 -0.07 0.00 4.77 0.27 -4.76 117.00 114.20 3hky n LEU 175 Ca -0.13 -0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 55.17 3hky n LEU 175 Cb 1.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.10 3hky n LEU 175 CO 0.52 0.12 0.97 0.22 -1.33 0.00 0.00 177.39 177.89 3hky h TYR 176 N 0.00 0.33 -0.04 -1.77 3.20 -1.23 -0.67 116.97 116.79 3hky h TYR 176 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3hky h TYR 176 Cb 0.10 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3hky h TYR 176 CO 0.00 0.23 -0.24 0.22 -1.64 0.00 0.00 178.16 176.73 3hky h ASP 177 N 0.34 0.07 0.02 -2.11 3.58 -1.80 -1.93 116.42 114.59 3hky h ASP 177 Ca 0.09 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3hky h ASP 177 Cb -0.02 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3hky h ASP 177 CO -0.02 0.31 -0.01 0.58 -2.88 0.00 0.00 179.24 177.22 3hky h VAL 178 N 0.06 1.31 0.00 2.25 2.07 -1.65 -2.64 116.25 117.66 3hky h VAL 178 Ca 0.01 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3hky h VAL 178 Cb 0.46 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3hky h VAL 178 CO 0.03 0.26 -0.02 -0.37 0.02 0.00 0.00 177.57 177.50 3hky h VAL 179 N -0.47 0.05 0.00 2.57 -1.51 -1.09 0.25 116.25 116.05 3hky h VAL 179 Ca -0.00 -0.56 -0.04 0.00 -1.23 0.00 0.00 66.70 64.87 3hky h VAL 179 Cb 0.45 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 3hky h VAL 179 CO 0.00 0.02 -0.69 0.28 -1.23 0.00 0.00 177.57 175.95 3hky h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.36 -3.43 113.55 112.98 3hky h SER 180 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3hky h SER 180 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hky h SER 180 CO 0.00 0.14 -1.09 0.41 -1.14 0.00 0.00 176.83 175.16 3hky n THR 181 N -2.90 0.09 -0.17 -2.27 -1.04 -1.00 -4.68 114.28 102.31 3hky n THR 181 Ca 0.00 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.05 61.89 3hky n THR 181 Cb 0.61 -0.60 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 3hky n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hky h LEU 182 N 0.00 0.67 -0.93 -4.42 6.46 -0.71 -3.05 115.31 113.34 3hky h LEU 182 Ca -0.03 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 3hky h LEU 182 Cb 1.05 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.76 3hky h LEU 182 CO -0.00 0.67 0.61 -0.65 -0.62 0.00 0.00 178.44 178.45 3hky h PRO 183 N 0.64 1.22 -0.73 5.25 0.11 -1.82 -1.70 132.00 134.97 3hky h PRO 183 Ca 0.16 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 3hky h PRO 183 Cb 0.22 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 3hky h PRO 183 CO -0.01 0.81 0.29 0.37 -0.21 0.00 0.00 178.00 179.25 3hky h GLN 184 N 1.26 1.09 -0.70 1.05 5.75 -1.88 0.94 115.11 122.62 3hky h GLN 184 Ca 0.34 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3hky h GLN 184 Cb -0.14 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.20 3hky h GLN 184 CO -0.07 0.90 0.36 0.00 -2.65 0.00 0.00 178.83 177.37 3hky h ALA 185 N 1.14 1.32 0.21 3.38 0.00 -1.29 -0.10 119.26 123.93 3hky h ALA 185 Ca 0.24 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 3hky h ALA 185 Cb 0.21 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hky h ALA 185 CO -0.02 0.54 -1.49 0.28 0.00 0.00 0.00 179.25 178.57 3hky h VAL 186 N 0.98 1.18 0.00 0.00 2.07 -1.06 -3.40 116.25 116.02 3hky h VAL 186 Ca 0.25 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3hky h VAL 186 Cb 0.06 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3hky h VAL 186 CO -0.04 0.81 -0.73 0.23 0.02 0.00 0.00 177.57 177.86 3hky n MET 187 N -3.74 2.36 0.00 1.57 2.81 0.30 -4.91 117.12 115.52 3hky n MET 187 Ca -0.20 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 3hky n MET 187 Cb 1.05 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 3hky n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hky n GLY 188 N 1.36 2.76 0.24 3.03 0.00 -0.05 -2.18 105.19 110.34 3hky n GLY 188 Ca 0.02 -0.33 0.17 0.00 0.00 0.00 0.00 46.02 45.88 3hky n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hky h SER 189 N 7.62 0.00 0.81 1.61 4.64 -1.96 -1.82 113.55 124.46 3hky h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hky h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hky h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3hky n SER 190 N -2.65 0.71 -4.61 4.97 7.64 -0.93 -4.72 113.62 114.03 3hky n SER 190 Ca -0.02 0.66 -0.43 0.00 1.01 0.00 0.00 58.87 60.09 3hky n SER 190 Cb 0.06 -0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 3hky n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hky s TYR 191 N -3.31 3.01 0.30 1.43 5.04 -0.69 -1.14 117.35 122.00 3hky s TYR 191 Ca 0.05 0.89 0.08 0.00 -2.44 0.00 0.00 57.07 55.65 3hky s TYR 191 Cb 0.10 -3.95 0.48 0.00 0.35 0.00 0.00 41.96 38.94 3hky s TYR 191 CO 0.42 -0.97 1.71 0.78 -1.34 0.00 0.00 175.55 176.15 3hky h GLY 192 N 10.49 0.19 1.14 8.97 0.00 -1.42 -3.20 103.07 119.25 3hky h GLY 192 Ca -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hky h GLY 192 CO 1.05 0.17 0.00 0.69 0.00 0.00 0.00 176.54 178.45 3hky n PHE 193 N -4.01 0.00 1.06 5.60 3.72 -1.26 -2.60 117.46 119.96 3hky n PHE 193 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 3hky n PHE 193 Cb 0.48 -0.07 0.60 0.00 -0.94 0.00 0.00 39.48 39.56 3hky n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hky n GLN 194 N -1.07 0.07 -4.08 -1.08 10.64 -1.21 -2.87 117.38 117.78 3hky n GLN 194 Ca 0.18 -0.01 -0.35 0.00 -1.83 0.00 0.00 57.00 54.99 3hky n GLN 194 Cb 0.12 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.89 3hky n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hky s TYR 195 N -2.94 3.15 1.18 2.61 2.02 -1.07 -4.68 117.35 117.61 3hky s TYR 195 Ca 0.16 -0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 3hky s TYR 195 Cb 0.19 -2.07 0.29 0.00 -0.40 0.00 0.00 41.96 39.97 3hky s TYR 195 CO 0.54 -0.01 1.02 -1.54 -1.57 0.00 0.00 175.55 173.99 3hky s SER 196 N 0.62 0.87 0.18 2.29 1.04 -1.26 -4.70 113.70 112.73 3hky s SER 196 Ca 0.01 1.47 -0.14 0.00 0.48 0.00 0.00 55.95 57.78 3hky s SER 196 Cb -0.13 -2.27 0.13 0.00 0.10 0.00 0.00 66.02 63.84 3hky s SER 196 CO 0.02 -4.26 1.78 -0.65 0.98 0.00 0.00 173.24 171.11 3hky h PRO 197 N -2.66 0.44 -0.12 4.02 0.11 -1.92 -0.19 132.00 131.67 3hky h PRO 197 Ca -0.62 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.40 3hky h PRO 197 Cb 1.34 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hky h PRO 197 CO 0.51 0.29 -0.20 1.57 -0.21 0.00 0.00 178.00 179.96 3hky h LYS 198 N 0.46 0.21 -0.04 1.05 2.10 -1.60 -2.16 116.57 116.59 3hky h LYS 198 Ca 0.21 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.64 3hky h LYS 198 Cb 0.14 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 3hky h LYS 198 CO -0.16 0.41 -0.74 1.96 -2.00 0.00 0.00 179.45 178.92 3hky h GLN 199 N 0.19 0.22 -0.17 0.07 4.20 -1.68 -2.20 115.11 115.74 3hky h GLN 199 Ca 0.03 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 3hky h GLN 199 Cb 0.47 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 3hky h GLN 199 CO 0.03 0.86 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.73 3hky h ARG 200 N 0.15 0.45 -0.73 1.46 2.43 -0.76 -1.29 114.38 116.09 3hky h ARG 200 Ca -0.02 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 3hky h ARG 200 Cb 1.30 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 3hky h ARG 200 CO 0.11 0.85 0.35 -0.24 -1.51 0.00 0.00 179.97 179.53 3hky h VAL 201 N 0.09 1.23 -0.42 0.20 3.04 -1.43 -1.74 116.25 117.23 3hky h VAL 201 Ca 0.02 -0.66 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 3hky h VAL 201 Cb 0.79 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 3hky h VAL 201 CO 0.05 0.28 0.17 -0.08 -1.01 0.00 0.00 177.57 176.99 3hky h GLU 202 N 1.04 0.63 -0.42 4.17 4.81 -1.32 -1.59 114.58 121.89 3hky h GLU 202 Ca 0.25 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hky h GLU 202 Cb 0.11 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3hky h GLU 202 CO -0.03 0.58 0.23 0.35 -0.73 0.00 0.00 179.01 179.40 3hky h PHE 203 N 0.53 0.43 -0.27 0.92 3.57 -0.93 0.52 116.94 121.72 3hky h PHE 203 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3hky h PHE 203 Cb 0.18 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3hky h PHE 203 CO -0.00 0.24 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.23 3hky h LEU 204 N 0.46 0.47 -0.09 0.59 3.38 -1.21 0.31 115.31 119.23 3hky h LEU 204 Ca 0.17 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hky h LEU 204 Cb 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hky h LEU 204 CO -0.10 0.68 -0.01 0.58 0.09 0.00 0.00 178.44 179.69 3hky h VAL 205 N 0.25 1.26 -0.61 1.22 2.07 -1.21 0.27 116.25 119.51 3hky h VAL 205 Ca 0.07 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3hky h VAL 205 Cb 0.45 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3hky h VAL 205 CO 0.02 0.23 0.35 0.78 0.02 0.00 0.00 177.57 178.98 3hky h ASN 206 N -0.13 0.75 -0.05 0.57 -0.26 -0.91 0.11 115.58 115.66 3hky h ASN 206 Ca 0.03 -0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.72 3hky h ASN 206 Cb 0.37 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 3hky h ASN 206 CO 0.01 0.61 -0.12 0.74 -1.06 0.00 0.00 177.43 177.60 3hky h THR 207 N 0.83 0.68 -0.34 2.81 2.02 -0.85 -0.36 112.91 117.70 3hky h THR 207 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 3hky h THR 207 Cb 0.01 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 3hky h THR 207 CO -0.04 0.00 0.05 -0.25 0.37 0.00 0.00 175.52 175.65 3hky h TRP 208 N -0.18 0.08 0.00 3.16 2.91 -0.47 -1.98 115.95 119.48 3hky h TRP 208 Ca 0.06 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 3hky h TRP 208 Cb 0.26 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.93 3hky h TRP 208 CO -0.21 0.00 -0.08 0.87 -1.03 0.00 0.00 178.44 177.99 3hky h LYS 209 N 0.17 0.00 0.00 2.65 1.57 -0.63 -2.97 116.57 117.35 3hky h LYS 209 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hky h LYS 209 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hky h LYS 209 CO -0.23 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 177.61 3hky n SER 210 N -3.23 0.72 -4.87 0.86 3.41 -0.16 -4.76 113.62 105.59 3hky n SER 210 Ca 0.00 0.65 -0.33 0.00 -0.26 0.00 0.00 58.87 58.93 3hky n SER 210 Cb 0.34 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 3hky n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hky s LYS 211 N -3.28 3.75 0.12 4.33 -0.14 -1.12 -4.99 119.74 118.39 3hky s LYS 211 Ca 0.05 0.15 -0.17 0.00 -1.36 0.00 0.00 55.97 54.64 3hky s LYS 211 Cb 0.10 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 3hky s LYS 211 CO 0.44 0.48 1.63 -0.22 -0.76 0.00 0.00 175.35 176.92 3hky h LYS 212 N 3.25 0.54 -2.64 1.68 3.64 -1.89 -3.38 116.57 117.76 3hky h LYS 212 Ca -0.48 -0.12 -0.58 0.00 -1.27 0.00 0.00 60.65 58.21 3hky h LYS 212 Cb 1.18 -0.08 -0.39 0.00 -0.41 0.00 0.00 32.23 32.53 3hky h LYS 212 CO 0.68 0.57 -0.83 0.00 -2.27 0.00 0.00 179.45 177.60 3hky s PRO 214 N 1.16 4.54 0.04 0.00 0.04 -1.26 0.30 135.00 139.81 3hky s PRO 214 Ca 0.17 1.63 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3hky s PRO 214 Cb -0.22 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3hky s PRO 214 CO -0.04 0.18 -0.17 1.41 0.04 0.00 0.00 177.00 178.42 3hky s MET 215 N -1.74 1.17 0.09 4.56 1.75 -0.07 -4.70 119.30 120.36 3hky s MET 215 Ca 0.48 -0.83 -0.06 0.00 -1.25 0.00 0.00 55.69 54.03 3hky s MET 215 Cb -0.27 -1.22 -0.02 0.00 2.84 0.00 0.00 34.83 36.16 3hky s MET 215 CO 0.34 0.31 0.13 0.20 -0.65 0.00 0.00 175.02 175.35 3hky s GLY 216 N -1.11 0.34 0.00 2.11 0.00 -0.12 0.13 107.32 108.68 3hky s GLY 216 Ca 0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.65 3hky s GLY 216 CO 0.01 -1.01 0.44 -0.11 0.00 0.00 0.00 173.10 172.43 3hky s PHE 217 N -3.91 -0.33 0.13 1.90 -0.71 -0.31 0.08 117.98 114.83 3hky s PHE 217 Ca 0.09 0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 56.41 3hky s PHE 217 Cb 0.06 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 3hky s PHE 217 CO -0.08 -0.52 0.33 -1.54 -1.34 0.00 0.00 175.22 172.07 3hky s SER 218 N -1.59 6.43 -0.15 1.98 1.04 -1.26 -1.25 113.70 118.90 3hky s SER 218 Ca -0.09 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.79 3hky s SER 218 Cb -0.02 -2.03 0.03 0.00 0.10 0.00 0.00 66.02 64.09 3hky s SER 218 CO 0.03 0.06 -0.11 -0.47 0.98 0.00 0.00 173.24 173.73 3hky s TYR 219 N -1.67 1.99 -0.36 5.02 6.14 -0.62 -4.63 117.35 123.21 3hky s TYR 219 Ca 0.39 -1.14 -0.10 0.00 0.64 0.00 0.00 57.07 56.87 3hky s TYR 219 Cb -0.12 -1.49 0.03 0.00 0.42 0.00 0.00 41.96 40.80 3hky s TYR 219 CO 0.27 -0.64 0.17 0.34 0.64 0.00 0.00 175.55 176.34 3hky s ASP 220 N 1.54 5.60 0.12 4.32 2.15 -1.26 -4.21 116.67 124.94 3hky s ASP 220 Ca 0.04 -1.01 -0.26 0.00 0.43 0.00 0.00 52.55 51.74 3hky s ASP 220 Cb -0.13 -1.98 -0.07 0.00 -0.30 0.00 0.00 42.92 40.44 3hky s ASP 220 CO -0.10 -0.36 0.82 -0.89 -0.17 0.00 0.00 175.17 174.48 3hky s THR 221 N 1.51 4.49 -0.22 1.71 2.01 -1.26 -0.95 115.64 122.93 3hky s THR 221 Ca 0.01 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 3hky s THR 221 Cb -0.19 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 3hky s THR 221 CO 0.05 0.43 1.48 -0.60 -0.69 0.00 0.00 174.62 175.30 3hky s ARG 222 N -0.56 3.93 -1.18 4.92 3.52 -0.90 -3.90 118.95 124.78 3hky s ARG 222 Ca 0.39 1.60 -0.09 0.00 -0.13 0.00 0.00 55.73 57.50 3hky s ARG 222 Cb -0.23 -3.95 -0.02 0.00 -1.56 0.00 0.00 34.95 29.19 3hky s ARG 222 CO 0.26 -1.12 0.80 0.00 -0.81 0.00 0.00 175.30 174.43 3hky h PHE 224 N -1.67 -0.10 -0.64 0.00 3.04 -1.97 -0.38 116.94 115.22 3hky h PHE 224 Ca -0.63 0.06 0.08 0.00 3.98 0.00 0.00 57.97 61.46 3hky h PHE 224 Cb 1.35 0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.98 3hky h PHE 224 CO 0.38 -0.26 0.42 -0.44 -2.02 0.00 0.00 178.31 176.39 3hky h ASP 225 N 0.08 0.49 1.87 0.41 5.19 -1.91 0.02 116.42 122.57 3hky h ASP 225 Ca 0.41 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 3hky h ASP 225 Cb 0.71 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3hky h ASP 225 CO -0.69 0.31 -0.00 0.28 -3.12 0.00 0.00 179.24 176.02 3hky h SER 226 N 0.56 0.00 1.30 6.45 0.02 -1.36 -2.65 113.55 117.87 3hky h SER 226 Ca 0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3hky h SER 226 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3hky h SER 226 CO -0.09 0.00 -0.02 0.35 -1.14 0.00 0.00 176.83 175.94 3hky n THR 227 N -2.89 0.39 -2.37 -2.27 -2.24 -0.03 -4.70 114.28 100.18 3hky n THR 227 Ca 0.04 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3hky n THR 227 Cb 0.50 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 3hky n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hky s VAL 228 N -3.07 4.15 0.59 2.28 1.01 -1.09 -4.82 120.40 119.44 3hky s VAL 228 Ca 0.12 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 3hky s VAL 228 Cb 0.15 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3hky s VAL 228 CO 0.58 -0.26 0.85 0.42 0.00 0.00 0.00 175.10 176.69 3hky s THR 229 N 3.98 3.05 0.33 3.92 -4.23 -1.26 -3.93 115.64 117.49 3hky s THR 229 Ca 0.58 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 3hky s THR 229 Cb -0.21 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.64 3hky s THR 229 CO 0.19 -0.18 1.94 -0.33 -0.54 0.00 0.00 174.62 175.70 3hky h GLU 230 N -0.12 0.77 -0.89 3.99 5.08 -1.85 -2.09 114.58 119.47 3hky h GLU 230 Ca -0.44 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3hky h GLU 230 Cb 1.28 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3hky h GLU 230 CO 0.57 0.60 0.58 1.03 -1.00 0.00 0.00 179.01 180.80 3hky h SER 231 N 0.77 0.98 -0.70 1.42 0.87 -1.96 -1.16 113.55 113.76 3hky h SER 231 Ca 0.19 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3hky h SER 231 Cb 0.09 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 3hky h SER 231 CO -0.03 0.69 0.46 0.44 -0.53 0.00 0.00 176.83 177.86 3hky h ASP 232 N 1.15 0.80 0.35 6.23 3.32 -1.77 -0.76 116.42 125.74 3hky h ASP 232 Ca 0.35 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 3hky h ASP 232 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3hky h ASP 232 CO -0.10 0.57 -0.61 0.40 -1.72 0.00 0.00 179.24 177.78 3hky h ILE 233 N 0.94 1.39 -0.01 0.35 2.04 -0.98 -1.79 117.51 119.44 3hky h ILE 233 Ca 0.26 -2.00 -0.14 0.00 1.00 0.00 0.00 64.86 63.99 3hky h ILE 233 Cb -0.09 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3hky h ILE 233 CO -0.06 0.59 -0.62 0.03 0.00 0.00 0.00 178.15 178.08 3hky h ARG 234 N 0.19 0.05 -0.53 2.37 3.08 -0.84 -2.32 114.38 116.38 3hky h ARG 234 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3hky h ARG 234 Cb 1.12 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3hky h ARG 234 CO 0.10 0.66 0.03 0.28 -1.07 0.00 0.00 179.97 179.96 3hky h VAL 235 N 0.04 1.26 -0.25 2.04 2.07 -0.85 -1.66 116.25 118.90 3hky h VAL 235 Ca -0.01 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.50 3hky h VAL 235 Cb 1.11 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3hky h VAL 235 CO 0.08 0.38 -0.01 -0.08 0.02 0.00 0.00 177.57 177.96 3hky h GLU 236 N 0.79 0.07 -0.81 1.57 4.81 -1.26 -2.13 114.58 117.62 3hky h GLU 236 Ca 0.15 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hky h GLU 236 Cb 0.49 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 3hky h GLU 236 CO 0.02 0.04 0.52 1.49 -0.73 0.00 0.00 179.01 180.36 3hky h GLU 237 N 0.07 1.00 -0.03 1.92 4.81 -1.18 -1.81 114.58 119.37 3hky h GLU 237 Ca 0.12 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3hky h GLU 237 Cb 0.16 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3hky h GLU 237 CO -0.20 0.66 0.02 0.66 -0.73 0.00 0.00 179.01 179.42 3hky h SER 238 N 1.03 0.00 -0.02 1.04 4.64 -0.70 0.37 113.55 119.91 3hky h SER 238 Ca 0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 3hky h SER 238 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3hky h SER 238 CO -0.10 0.00 -0.15 0.40 -0.87 0.00 0.00 176.83 176.11 3hky h ILE 239 N 0.00 1.51 -0.86 0.95 2.04 -0.76 -3.21 117.51 117.18 3hky h ILE 239 Ca 0.01 -1.71 0.15 0.00 1.00 0.00 0.00 64.86 64.31 3hky h ILE 239 Cb 0.05 2.57 -0.10 0.00 -0.74 0.00 0.00 36.82 38.61 3hky h ILE 239 CO -0.00 0.47 0.45 1.88 0.00 0.00 0.00 178.15 180.94 3hky h TYR 240 N -0.48 0.78 0.00 1.37 0.05 -0.50 -2.03 116.97 116.16 3hky h TYR 240 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3hky h TYR 240 Cb 0.84 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3hky h TYR 240 CO 0.16 0.18 0.00 1.04 -1.05 0.00 0.00 178.16 178.49 3hky n GLN 241 N -4.87 0.12 0.14 4.88 1.13 0.12 -2.11 117.38 116.79 3hky n GLN 241 Ca 0.18 0.20 0.13 0.00 -1.94 0.00 0.00 57.00 55.56 3hky n GLN 241 Cb 0.45 -1.50 0.36 0.00 0.11 0.00 0.00 30.24 29.66 3hky n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hky s ASP 244 N -3.35 7.03 0.08 0.00 2.15 0.30 -4.92 116.67 117.95 3hky s ASP 244 Ca 0.61 1.66 0.06 0.00 0.43 0.00 0.00 52.55 55.31 3hky s ASP 244 Cb -0.16 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 3hky s ASP 244 CO 0.51 -0.66 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.91 3hky s LEU 245 N 2.93 2.26 0.57 -1.34 1.43 -1.26 -1.10 118.68 122.17 3hky s LEU 245 Ca 0.53 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 3hky s LEU 245 Cb -0.21 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3hky s LEU 245 CO 0.16 0.01 1.23 0.00 0.23 0.00 0.00 176.35 177.98 3hky s ALA 246 N -1.13 2.64 0.21 4.21 0.00 -1.26 -4.80 121.76 121.63 3hky s ALA 246 Ca 0.02 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 3hky s ALA 246 Cb -0.10 -3.47 0.29 0.00 0.00 0.00 0.00 23.12 19.85 3hky s ALA 246 CO 0.03 -1.15 1.66 -1.35 0.00 0.00 0.00 175.76 174.95 3hky h PRO 247 N 1.12 0.12 -0.42 0.00 0.11 -2.00 0.12 132.00 131.05 3hky h PRO 247 Ca -0.50 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3hky h PRO 247 Cb 1.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3hky h PRO 247 CO 0.56 0.08 -0.02 0.93 -0.21 0.00 0.00 178.00 179.34 3hky h GLU 248 N 0.12 0.69 -0.38 1.05 5.08 -1.99 -0.62 114.58 118.54 3hky h GLU 248 Ca 0.32 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3hky h GLU 248 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3hky h GLU 248 CO -0.52 0.72 0.04 0.00 -1.00 0.00 0.00 179.01 178.25 3hky h ALA 249 N 1.33 0.50 -0.46 3.43 0.00 -1.60 0.48 119.26 122.94 3hky h ALA 249 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hky h ALA 249 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hky h ALA 249 CO 0.02 0.23 0.30 -0.09 0.00 0.00 0.00 179.25 179.71 3hky h ARG 250 N 0.47 0.61 -0.34 0.00 2.43 -0.52 -0.80 114.38 116.23 3hky h ARG 250 Ca 0.11 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3hky h ARG 250 Cb 0.40 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hky h ARG 250 CO 0.01 0.42 0.07 0.37 -1.51 0.00 0.00 179.97 179.34 3hky h GLN 251 N 0.62 0.55 -0.89 0.20 5.75 -1.07 -2.09 115.11 118.19 3hky h GLN 251 Ca 0.17 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3hky h GLN 251 Cb -0.05 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.37 3hky h GLN 251 CO -0.03 0.61 0.56 0.00 -2.65 0.00 0.00 178.83 177.32 3hky h ALA 252 N 0.91 1.20 -0.47 3.38 0.00 -0.72 0.90 119.26 124.47 3hky h ALA 252 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hky h ALA 252 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hky h ALA 252 CO 0.00 0.36 0.11 0.82 0.00 0.00 0.00 179.25 180.54 3hky h ILE 253 N 1.05 1.24 -0.35 0.00 2.04 -1.09 0.12 117.51 120.53 3hky h ILE 253 Ca 0.37 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3hky h ILE 253 Cb 0.10 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3hky h ILE 253 CO -0.15 0.30 0.20 -0.09 0.00 0.00 0.00 178.15 178.41 3hky h ARG 254 N 0.64 0.49 -0.32 2.37 9.65 -0.91 -0.79 114.38 125.50 3hky h ARG 254 Ca 0.15 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.85 3hky h ARG 254 Cb 0.34 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3hky h ARG 254 CO 0.00 0.40 -0.30 0.77 2.80 0.00 0.00 179.97 183.65 3hky h SER 255 N 0.45 0.70 -0.28 -3.80 0.02 -0.65 -2.50 113.55 107.48 3hky h SER 255 Ca 0.12 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 3hky h SER 255 Cb 0.05 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3hky h SER 255 CO -0.02 0.95 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.29 3hky h LEU 256 N 0.58 0.80 0.59 5.07 3.38 -0.70 -0.28 115.31 124.75 3hky h LEU 256 Ca 0.07 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hky h LEU 256 Cb 0.80 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hky h LEU 256 CO 0.07 1.02 -0.37 0.74 0.09 0.00 0.00 178.44 179.99 3hky h THR 257 N 0.67 0.25 -0.28 0.22 2.02 -1.01 0.25 112.91 115.03 3hky h THR 257 Ca 0.08 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 3hky h THR 257 Cb 0.78 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3hky h THR 257 CO 0.06 0.00 -0.24 -0.33 0.37 0.00 0.00 175.52 175.39 3hky h GLU 258 N -0.91 0.52 0.00 6.66 4.39 -1.43 -1.19 114.58 122.62 3hky h GLU 258 Ca -0.07 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3hky h GLU 258 Cb 0.74 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3hky h GLU 258 CO 0.07 0.72 -1.61 0.54 -1.16 0.00 0.00 179.01 177.58 3hky n ARG 259 N -4.13 0.57 0.07 2.33 1.74 -0.12 -4.72 116.66 112.40 3hky n ARG 259 Ca -0.00 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3hky n ARG 259 Cb 0.40 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3hky n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hky n LEU 260 N -2.29 0.11 -0.08 0.55 7.94 -0.07 -0.52 117.00 122.64 3hky n LEU 260 Ca -0.02 0.22 -0.11 0.00 -1.11 0.00 0.00 56.01 54.99 3hky n LEU 260 Cb 0.54 0.11 0.03 0.00 0.53 0.00 0.00 43.42 44.62 3hky n LEU 260 CO 0.44 -0.59 0.57 1.88 -1.11 0.00 0.00 177.39 178.58 3hky h TYR 261 N 0.00 0.97 0.00 1.96 0.05 -0.32 -2.82 116.97 116.81 3hky h TYR 261 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.50 3hky h TYR 261 Cb 0.13 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3hky h TYR 261 CO 0.00 1.07 0.00 -0.84 -1.05 0.00 0.00 178.16 177.34 3hky h ILE 262 N 0.67 0.00 0.00 -2.88 3.07 -1.45 -3.43 117.51 113.48 3hky h ILE 262 Ca 0.06 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3hky h ILE 262 Cb 0.94 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 3hky h ILE 262 CO 0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 3hky n GLY 263 N 0.37 -1.22 0.00 0.16 0.00 -1.07 -3.99 105.19 99.44 3hky n GLY 263 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3hky n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 264 N -1.17 0.16 3.77 -0.02 0.00 -0.29 -4.07 105.19 103.58 3hky n GLY 264 Ca 0.00 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 3hky n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hky s PRO 265 N -1.81 3.91 -0.13 1.61 0.04 -1.26 -1.21 135.00 136.15 3hky s PRO 265 Ca 0.00 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 3hky s PRO 265 Cb 0.00 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3hky s PRO 265 CO 0.00 -0.44 -0.11 -0.51 0.04 0.00 0.00 177.00 175.98 3hky s LEU 266 N -2.74 2.84 -0.03 -3.56 1.43 -0.25 -2.41 118.68 113.96 3hky s LEU 266 Ca 0.60 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 3hky s LEU 266 Cb -0.30 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3hky s LEU 266 CO 0.37 0.17 -0.24 -0.89 0.23 0.00 0.00 176.35 175.99 3hky s THR 267 N 0.34 1.88 0.86 5.49 2.01 -0.06 -0.22 115.64 125.95 3hky s THR 267 Ca -0.09 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 60.80 3hky s THR 267 Cb -0.16 -1.57 0.16 0.00 0.01 0.00 0.00 72.50 70.95 3hky s THR 267 CO 0.05 0.53 1.18 0.54 -0.69 0.00 0.00 174.62 176.24 3hky s ASN 268 N -0.47 3.69 0.58 3.53 2.20 -0.45 -1.05 114.94 122.98 3hky s ASN 268 Ca 0.06 0.06 0.37 0.00 -0.94 0.00 0.00 52.86 52.42 3hky s ASN 268 Cb -0.10 -0.27 1.73 0.00 -2.00 0.00 0.00 41.25 40.60 3hky s ASN 268 CO -0.00 -2.33 2.11 0.77 -2.94 0.00 0.00 177.10 174.71 3hky h SER 269 N -1.17 0.00 0.12 3.54 4.64 -1.77 -0.96 113.55 117.95 3hky h SER 269 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3hky h SER 269 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hky h SER 269 CO 0.41 0.00 -0.05 0.29 -0.87 0.00 0.00 176.83 176.61 3hky n LYS 270 N -3.06 1.11 -0.62 4.77 5.02 -1.26 -4.93 118.16 119.19 3hky n LYS 270 Ca -0.01 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 3hky n LYS 270 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3hky n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hky n GLY 271 N 1.16 0.68 3.83 0.72 0.00 -0.37 -5.05 105.19 106.17 3hky n GLY 271 Ca 0.19 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3hky n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hky s GLN 272 N -0.51 4.02 -0.01 1.61 -0.21 -1.26 -4.82 119.66 118.48 3hky s GLN 272 Ca 0.00 0.53 -0.30 0.00 0.02 0.00 0.00 55.36 55.60 3hky s GLN 272 Cb 0.00 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.88 3hky s GLN 272 CO 0.00 0.56 1.60 1.21 -2.12 0.00 0.00 175.29 176.54 3hky s ASN 273 N -1.45 6.69 -0.13 5.90 3.04 -1.26 -1.34 114.94 126.39 3hky s ASN 273 Ca 0.33 2.27 0.11 0.00 0.04 0.00 0.00 52.86 55.61 3hky s ASN 273 Cb -0.16 -2.55 -0.16 0.00 -1.54 0.00 0.00 41.25 36.84 3hky s ASN 273 CO 0.18 -0.87 0.03 0.00 -3.04 0.00 0.00 177.10 173.40 3hky n GLY 275 N 2.25 -0.57 2.86 0.00 0.00 -1.16 -1.67 105.19 106.90 3hky n GLY 275 Ca -0.22 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 3hky n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hky s TYR 276 N -3.00 -0.04 -0.17 1.61 5.04 0.20 -1.09 117.35 119.90 3hky s TYR 276 Ca 0.00 0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 54.74 3hky s TYR 276 Cb 0.00 -0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.18 3hky s TYR 276 CO 0.00 -0.07 0.04 0.50 -1.34 0.00 0.00 175.55 174.68 3hky s ARG 277 N 0.57 3.90 -0.26 4.97 3.52 -0.35 -1.03 118.95 130.27 3hky s ARG 277 Ca -0.05 -0.38 0.11 0.00 -0.13 0.00 0.00 55.73 55.29 3hky s ARG 277 Cb -0.06 -3.15 0.46 0.00 -1.56 0.00 0.00 34.95 30.64 3hky s ARG 277 CO -0.02 0.28 1.18 0.54 -0.81 0.00 0.00 175.30 176.48 3hky n ARG 278 N 3.49 2.86 -3.00 5.12 1.74 -0.03 -1.14 116.66 125.70 3hky n ARG 278 Ca -0.17 -3.84 -0.09 0.00 -0.77 0.00 0.00 57.85 52.98 3hky n ARG 278 Cb 0.52 -1.98 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 3hky n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hky s ARG 280 N -2.54 4.15 0.07 0.00 6.06 -1.01 -4.48 118.95 121.20 3hky s ARG 280 Ca 0.18 2.53 -0.22 0.00 -2.50 0.00 0.00 55.73 55.72 3hky s ARG 280 Cb 0.00 -3.06 -0.06 0.00 0.06 0.00 0.00 34.95 31.89 3hky s ARG 280 CO 0.13 -0.64 0.67 0.00 -2.50 0.00 0.00 175.30 172.96 3hky s ALA 281 N 0.41 3.48 0.06 6.12 0.00 -1.26 -4.75 121.76 125.83 3hky s ALA 281 Ca 0.66 0.17 0.14 0.00 0.00 0.00 0.00 51.96 52.94 3hky s ALA 281 Cb -0.47 -2.82 0.26 0.00 0.00 0.00 0.00 23.12 20.08 3hky s ALA 281 CO 0.42 0.24 1.53 0.66 0.00 0.00 0.00 175.76 178.61 3hky h SER 282 N 5.00 0.00 -1.66 0.00 4.64 -1.90 -3.36 113.55 116.27 3hky h SER 282 Ca -0.47 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.20 3hky h SER 282 Cb 1.21 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 3hky h SER 282 CO 0.67 0.57 -0.07 0.61 -0.87 0.00 0.00 176.83 177.74 3hky n GLY 283 N 0.79 5.85 3.45 -0.77 0.00 -0.34 -4.42 105.19 109.74 3hky n GLY 283 Ca 0.00 -2.66 -0.22 0.00 0.00 0.00 0.00 46.02 43.15 3hky n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hky s VAL 284 N -5.34 1.67 0.34 1.61 -7.23 -1.18 -4.32 120.40 105.95 3hky s VAL 284 Ca 0.50 -2.11 0.17 0.00 -1.81 0.00 0.00 61.98 58.72 3hky s VAL 284 Cb 0.42 -2.53 0.14 0.00 0.56 0.00 0.00 36.38 34.96 3hky s VAL 284 CO -0.26 -0.24 1.85 0.25 -0.31 0.00 0.00 175.10 176.39 3hky h LEU 285 N 2.21 0.00 -1.34 1.32 5.85 -1.81 -2.90 115.31 118.64 3hky h LEU 285 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hky h LEU 285 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3hky h LEU 285 CO 0.68 0.33 0.00 0.35 -0.34 0.00 0.00 178.44 179.46 3hky n THR 286 N -3.89 0.16 -0.11 1.05 -2.24 -1.26 -4.39 114.28 103.60 3hky n THR 286 Ca -0.02 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 3hky n THR 286 Cb 0.40 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 3hky n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hky h THR 287 N 2.89 1.24 0.04 4.28 2.02 -1.80 0.25 112.91 121.84 3hky h THR 287 Ca 0.00 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 3hky h THR 287 Cb 0.63 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3hky h THR 287 CO 0.00 0.29 -0.02 -1.28 0.37 0.00 0.00 175.52 174.88 3hky h SER 288 N 0.39 -0.04 -0.10 4.18 0.87 -1.77 -0.79 113.55 116.29 3hky h SER 288 Ca 0.10 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3hky h SER 288 Cb 0.38 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3hky h SER 288 CO 0.01 0.32 0.06 0.00 -0.53 0.00 0.00 176.83 176.69 3hky h GLY 290 N 0.10 0.90 1.01 0.00 0.00 -0.49 -1.64 103.07 102.95 3hky h GLY 290 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3hky h GLY 290 CO -0.01 0.53 0.39 3.43 0.00 0.00 0.00 176.54 180.88 3hky h ASN 291 N 0.73 0.96 0.07 0.19 2.35 -1.03 -0.05 115.58 118.79 3hky h ASN 291 Ca 0.16 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hky h ASN 291 Cb 0.34 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3hky h ASN 291 CO 0.00 0.80 -0.03 0.74 -1.65 0.00 0.00 177.43 177.29 3hky h THR 292 N 1.05 0.97 -0.72 2.81 2.02 -0.97 -0.12 112.91 117.96 3hky h THR 292 Ca 0.26 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3hky h THR 292 Cb 0.08 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3hky h THR 292 CO -0.04 0.04 0.47 -0.07 0.37 0.00 0.00 175.52 176.29 3hky h LEU 293 N -0.16 0.84 -0.09 2.58 3.38 -1.22 0.99 115.31 121.63 3hky h LEU 293 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hky h LEU 293 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3hky h LEU 293 CO 0.02 0.62 0.03 0.74 0.09 0.00 0.00 178.44 179.93 3hky h THR 294 N 0.98 1.18 -0.57 0.22 2.02 -0.89 0.15 112.91 115.99 3hky h THR 294 Ca 0.26 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3hky h THR 294 Cb -0.10 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3hky h THR 294 CO -0.06 0.15 0.15 0.00 0.37 0.00 0.00 175.52 176.14 3hky h TYR 296 N 0.82 0.85 0.29 0.00 5.03 -0.63 -1.14 116.97 122.19 3hky h TYR 296 Ca 0.18 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 3hky h TYR 296 Cb 0.33 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.35 3hky h TYR 296 CO 0.02 0.62 -0.14 1.25 -1.32 0.00 0.00 178.16 178.59 3hky h LEU 297 N 0.83 -0.35 -0.32 2.82 5.85 -0.52 -1.28 115.31 122.35 3hky h LEU 297 Ca 0.21 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hky h LEU 297 Cb 0.07 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3hky h LEU 297 CO -0.03 -0.24 0.18 0.11 -0.34 0.00 0.00 178.44 178.12 3hky h LYS 298 N -0.40 0.43 -0.36 1.25 1.57 -1.26 -2.05 116.57 115.76 3hky h LYS 298 Ca -0.04 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3hky h LYS 298 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hky h LYS 298 CO 0.06 0.35 -0.36 0.00 -0.57 0.00 0.00 179.45 178.93 3hky h ALA 299 N 1.06 0.68 -0.56 3.86 0.00 -1.23 0.53 119.26 123.61 3hky h ALA 299 Ca 0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hky h ALA 299 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3hky h ALA 299 CO -0.02 0.67 0.34 1.15 0.00 0.00 0.00 179.25 181.38 3hky h THR 300 N 0.69 1.17 -0.38 0.00 2.02 -1.21 0.22 112.91 115.42 3hky h THR 300 Ca 0.06 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 3hky h THR 300 Cb 0.92 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3hky h THR 300 CO 0.08 0.17 -0.31 0.00 0.37 0.00 0.00 175.52 175.84 3hky h ALA 301 N 1.17 0.55 -0.34 6.16 0.00 -1.24 -2.88 119.26 122.68 3hky h ALA 301 Ca 0.20 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3hky h ALA 301 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hky h ALA 301 CO -0.04 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 3hky h ALA 302 N 0.78 1.25 -0.97 0.00 0.00 -0.74 -2.20 119.26 117.38 3hky h ALA 302 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hky h ALA 302 Cb 0.89 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3hky h ALA 302 CO 0.08 0.50 0.63 0.00 0.00 0.00 0.00 179.25 180.45 3hky h ARG 304 N 1.16 0.37 -0.92 0.00 3.08 -1.26 -1.13 114.38 115.68 3hky h ARG 304 Ca 0.40 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.36 3hky h ARG 304 Cb 0.12 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3hky h ARG 304 CO -0.15 0.62 0.59 0.00 -1.07 0.00 0.00 179.97 179.97 3hky h ALA 305 N 0.74 1.24 0.00 0.04 0.00 -1.22 -2.14 119.26 117.93 3hky h ALA 305 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hky h ALA 305 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hky h ALA 305 CO 0.02 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3hky n ALA 306 N -2.36 2.21 -3.65 0.00 0.00 0.04 -4.92 120.51 111.83 3hky n ALA 306 Ca 0.13 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 3hky n ALA 306 Cb 0.13 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.21 3hky n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hky n LYS 307 N -1.61 -6.75 -2.55 0.00 5.02 -0.47 -4.79 118.16 107.01 3hky n LYS 307 Ca 0.06 0.75 -0.39 0.00 -2.02 0.00 0.00 58.31 56.72 3hky n LYS 307 Cb 0.32 -5.70 -0.05 0.00 -0.02 0.00 0.00 35.03 29.59 3hky n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hky s LEU 308 N -7.02 4.44 -0.20 -0.35 1.43 -0.92 -5.01 118.68 111.04 3hky s LEU 308 Ca 0.41 2.14 -0.13 0.00 -1.03 0.00 0.00 54.13 55.52 3hky s LEU 308 Cb -0.19 -3.80 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 3hky s LEU 308 CO 0.76 -0.19 0.24 -1.10 0.23 0.00 0.00 176.35 176.29 3hky s GLN 309 N -1.73 4.16 -1.14 1.70 -1.52 -1.26 -4.58 119.66 115.29 3hky s GLN 309 Ca 0.48 -0.06 -0.10 0.00 -1.95 0.00 0.00 55.36 53.73 3hky s GLN 309 Cb -0.28 -3.49 -0.03 0.00 -0.22 0.00 0.00 33.01 28.99 3hky s GLN 309 CO 0.35 0.13 0.84 -3.47 -0.25 0.00 0.00 175.29 172.88 3hky n ASP 310 N 4.01 -4.95 -4.77 5.90 2.03 -1.26 -1.38 116.55 116.13 3hky n ASP 310 Ca -0.13 -0.84 -0.39 0.00 0.52 0.00 0.00 54.79 53.95 3hky n ASP 310 Cb 0.52 -4.31 -0.06 0.00 -0.72 0.00 0.00 41.12 36.55 3hky n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hky s THR 312 N -1.16 1.43 0.14 0.00 2.01 0.28 -4.99 115.64 113.34 3hky s THR 312 Ca 0.37 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.81 3hky s THR 312 Cb -0.24 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3hky s THR 312 CO 0.27 0.42 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.53 3hky s MET 313 N 0.78 2.25 -0.10 4.92 -1.94 -1.26 -0.98 119.30 122.97 3hky s MET 313 Ca -0.11 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 3hky s MET 313 Cb -0.16 -2.33 0.02 0.00 2.01 0.00 0.00 34.83 34.38 3hky s MET 313 CO 0.02 0.48 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.27 3hky s LEU 314 N -2.55 1.23 -0.08 -0.03 2.96 -0.42 -4.23 118.68 115.56 3hky s LEU 314 Ca 0.24 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3hky s LEU 314 Cb -0.10 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.80 3hky s LEU 314 CO 0.16 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.25 3hky s VAL 315 N 1.51 1.44 -0.36 1.68 1.01 -0.29 -1.72 120.40 123.67 3hky s VAL 315 Ca 0.01 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3hky s VAL 315 Cb -0.13 -1.30 0.11 0.00 0.00 0.00 0.00 36.38 35.07 3hky s VAL 315 CO -0.06 0.43 0.15 0.20 0.00 0.00 0.00 175.10 175.82 3hky s ASN 316 N 0.67 3.89 1.70 3.32 0.01 0.20 -1.14 114.94 123.58 3hky s ASN 316 Ca -0.14 -2.03 0.00 0.00 -0.71 0.00 0.00 52.86 49.98 3hky s ASN 316 Cb -0.16 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.56 3hky s ASN 316 CO 0.04 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.88 3hky n GLY 317 N 4.33 2.68 0.29 0.66 0.00 -1.26 -2.00 105.19 109.89 3hky n GLY 317 Ca 0.03 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3hky n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hky n ASP 318 N 5.81 0.91 -4.66 1.61 5.75 -1.26 -3.74 116.55 120.97 3hky n ASP 318 Ca 0.00 -1.35 -0.40 0.00 -0.01 0.00 0.00 54.79 53.03 3hky n ASP 318 Cb 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 3hky n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hky s ASP 319 N -1.92 6.63 -0.06 -1.12 2.15 -0.85 -4.64 116.67 116.88 3hky s ASP 319 Ca 0.40 0.77 0.01 0.00 0.43 0.00 0.00 52.55 54.16 3hky s ASP 319 Cb 0.20 -2.32 0.02 0.00 -0.30 0.00 0.00 42.92 40.52 3hky s ASP 319 CO 0.33 -0.23 -0.06 -0.22 -0.17 0.00 0.00 175.17 174.82 3hky s LEU 320 N 1.77 1.36 -0.02 -1.34 2.96 -1.26 -0.63 118.68 121.52 3hky s LEU 320 Ca 0.27 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3hky s LEU 320 Cb -0.16 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 3hky s LEU 320 CO 0.10 -0.04 -0.18 0.54 -1.32 0.00 0.00 176.35 175.45 3hky s VAL 321 N 0.95 1.40 -0.06 1.68 0.11 -0.70 -1.59 120.40 122.19 3hky s VAL 321 Ca -0.10 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3hky s VAL 321 Cb -0.14 -1.18 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 3hky s VAL 321 CO 0.00 0.40 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.34 3hky s VAL 322 N -0.31 1.27 -0.11 2.04 1.01 -0.38 -1.31 120.40 122.61 3hky s VAL 322 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3hky s VAL 322 Cb -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3hky s VAL 322 CO -0.00 0.38 -0.23 -0.63 0.00 0.00 0.00 175.10 174.62 3hky s ILE 323 N 0.47 2.01 0.31 2.22 1.01 -0.15 -1.17 121.20 125.91 3hky s ILE 323 Ca -0.12 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.62 3hky s ILE 323 Cb -0.15 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3hky s ILE 323 CO 0.04 0.55 0.29 0.00 0.00 0.00 0.00 174.94 175.81 3hky s GLU 325 N -3.21 4.35 0.25 0.00 0.41 -0.48 -0.89 118.70 119.14 3hky s GLU 325 Ca 0.36 0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 55.59 3hky s GLU 325 Cb 0.02 -3.52 -0.10 0.00 -1.78 0.00 0.00 34.13 28.75 3hky s GLU 325 CO 0.26 -0.17 1.33 0.45 -0.49 0.00 0.00 175.26 176.64 3hky s SER 326 N 1.03 6.81 0.00 -0.19 0.15 0.15 -4.48 113.70 117.18 3hky s SER 326 Ca 0.38 2.54 0.19 0.00 0.70 0.00 0.00 55.95 59.77 3hky s SER 326 Cb -0.17 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.06 3hky s SER 326 CO 0.15 -0.56 1.46 0.00 1.20 0.00 0.00 173.24 175.49 3hky n ALA 327 N 1.99 2.32 0.00 5.45 0.00 -1.26 -4.89 120.51 124.13 3hky n ALA 327 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3hky n ALA 327 Cb 0.42 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3hky n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hky n GLY 328 N 1.33 2.73 0.37 0.00 0.00 -1.26 -4.69 105.19 103.67 3hky n GLY 328 Ca 0.21 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 3hky n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hky h THR 329 N 0.00 0.28 -0.27 2.61 2.02 -1.99 -0.84 112.91 114.71 3hky h THR 329 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3hky h THR 329 Cb 0.00 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3hky h THR 329 CO 0.00 0.00 -0.32 1.56 0.37 0.00 0.00 175.52 177.13 3hky h GLN 330 N -0.66 0.69 -0.10 6.66 1.08 -2.00 -2.11 115.11 118.68 3hky h GLN 330 Ca -0.00 -0.39 -0.09 0.00 -1.45 0.00 0.00 58.65 56.73 3hky h GLN 330 Cb 0.63 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 3hky h GLN 330 CO -0.12 1.00 -0.34 1.05 -0.95 0.00 0.00 178.83 179.47 3hky h GLU 331 N 0.43 0.19 -0.24 1.46 9.09 -1.83 -1.01 114.58 122.68 3hky h GLU 331 Ca 0.04 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 3hky h GLU 331 Cb 0.90 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 3hky h GLU 331 CO 0.08 0.51 0.01 -0.44 0.05 0.00 0.00 179.01 179.21 3hky h ASP 332 N 0.17 0.41 -0.54 3.06 3.32 -1.06 0.66 116.42 122.44 3hky h ASP 332 Ca 0.02 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.78 3hky h ASP 332 Cb 0.68 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3hky h ASP 332 CO 0.05 0.61 0.35 0.00 -1.72 0.00 0.00 179.24 178.53 3hky h ALA 333 N 0.81 0.68 -0.41 3.45 0.00 -1.07 -0.72 119.26 122.01 3hky h ALA 333 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hky h ALA 333 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hky h ALA 333 CO 0.01 0.10 0.18 0.00 0.00 0.00 0.00 179.25 179.54 3hky h ALA 334 N 1.20 0.53 -0.78 0.00 0.00 -1.16 -1.93 119.26 117.13 3hky h ALA 334 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hky h ALA 334 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3hky h ALA 334 CO -0.05 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.72 3hky h ALA 335 N 1.02 1.00 -0.29 0.00 0.00 -0.46 -1.34 119.26 119.19 3hky h ALA 335 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3hky h ALA 335 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hky h ALA 335 CO -0.01 0.53 -0.30 1.25 0.00 0.00 0.00 179.25 180.71 3hky h LEU 336 N 1.08 0.63 -1.22 0.00 5.85 -1.04 -0.56 115.31 120.05 3hky h LEU 336 Ca 0.27 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3hky h LEU 336 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hky h LEU 336 CO -0.04 0.89 0.14 0.03 -0.34 0.00 0.00 178.44 179.12 3hky h ARG 337 N 0.52 0.68 -0.47 1.25 3.08 -0.88 -1.44 114.38 117.13 3hky h ARG 337 Ca 0.06 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 3hky h ARG 337 Cb 0.78 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3hky h ARG 337 CO 0.06 0.60 -0.21 0.00 -1.07 0.00 0.00 179.97 179.35 3hky h ALA 338 N 1.48 0.73 -0.20 0.04 0.00 -0.83 -2.30 119.26 118.18 3hky h ALA 338 Ca 0.16 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hky h ALA 338 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hky h ALA 338 CO -0.01 0.67 0.02 0.35 0.00 0.00 0.00 179.25 180.28 3hky h PHE 339 N 0.83 0.03 -0.92 0.00 3.04 -0.68 -2.09 116.94 117.15 3hky h PHE 339 Ca 0.11 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.10 3hky h PHE 339 Cb 0.78 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.26 3hky h PHE 339 CO 0.05 -0.01 0.60 1.15 -2.02 0.00 0.00 178.31 178.09 3hky h THR 340 N 0.09 1.17 -0.21 4.41 2.02 -1.21 -1.24 112.91 117.95 3hky h THR 340 Ca 0.09 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 3hky h THR 340 Cb 0.10 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3hky h THR 340 CO -0.14 0.22 -0.22 -0.33 0.37 0.00 0.00 175.52 175.42 3hky h GLU 341 N 1.18 0.37 -0.14 6.66 4.39 -1.13 -0.19 114.58 125.73 3hky h GLU 341 Ca 0.36 -0.12 -0.21 0.00 0.34 0.00 0.00 59.36 59.73 3hky h GLU 341 Cb -0.03 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3hky h GLU 341 CO -0.11 0.58 -0.72 0.00 -1.16 0.00 0.00 179.01 177.60 3hky h ALA 342 N 1.44 0.27 -0.95 3.43 0.00 -0.97 -1.71 119.26 120.76 3hky h ALA 342 Ca 0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hky h ALA 342 Cb 0.57 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3hky h ALA 342 CO 0.04 0.61 0.58 0.52 0.00 0.00 0.00 179.25 181.00 3hky h MET 343 N 0.44 1.29 -0.57 0.00 2.86 -1.06 -2.27 114.93 115.62 3hky h MET 343 Ca -0.05 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3hky h MET 343 Cb 1.35 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3hky h MET 343 CO 0.15 0.90 0.33 1.15 1.06 0.00 0.00 176.91 180.50 3hky h THR 344 N 1.31 1.17 -0.38 2.22 2.02 -0.79 -0.35 112.91 118.12 3hky h THR 344 Ca 0.34 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3hky h THR 344 Cb -0.07 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3hky h THR 344 CO -0.07 0.18 0.24 0.03 0.37 0.00 0.00 175.52 176.28 3hky h ARG 345 N 0.76 0.50 0.00 6.66 3.08 -0.96 -1.54 114.38 122.88 3hky h ARG 345 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hky h ARG 345 Cb -0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3hky h ARG 345 CO -0.04 0.34 0.00 0.66 -1.07 0.00 0.00 179.97 179.86 3hky n TYR 346 N -4.47 0.00 0.00 3.04 4.01 -0.85 -0.82 117.16 118.07 3hky n TYR 346 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3hky n TYR 346 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3hky n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hky n SER 347 N -0.80 0.00 -3.78 7.72 2.88 -0.58 -4.92 113.62 114.15 3hky n SER 347 Ca 0.14 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.30 3hky n SER 347 Cb 0.06 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 3hky n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hky n ALA 348 N -1.99 4.86 -1.37 -1.46 0.00 -0.20 -4.82 120.51 115.54 3hky n ALA 348 Ca 0.00 -4.79 -0.31 0.00 0.00 0.00 0.00 53.44 48.34 3hky n ALA 348 Cb 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 19.45 17.68 3hky n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hky s PRO 349 N -2.78 2.50 0.43 0.00 0.04 -1.26 -3.87 135.00 130.06 3hky s PRO 349 Ca 0.35 1.15 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 3hky s PRO 349 Cb 0.09 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 3hky s PRO 349 CO 0.06 -1.46 0.92 -1.25 0.04 0.00 0.00 177.00 175.31 3hky s PRO 350 N -4.82 4.13 0.00 0.56 0.04 -1.26 -2.12 135.00 131.53 3hky s PRO 350 Ca 0.61 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3hky s PRO 350 Cb -0.17 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3hky s PRO 350 CO 0.54 -0.05 0.08 0.41 0.04 0.00 0.00 177.00 178.02 3hky n GLY 351 N -0.80 0.41 3.75 0.56 0.00 -0.12 -4.45 105.19 104.54 3hky n GLY 351 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3hky n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hky s ASP 352 N -1.31 7.38 0.26 1.61 1.01 -1.26 -4.99 116.67 119.38 3hky s ASP 352 Ca 0.00 2.09 -0.30 0.00 0.71 0.00 0.00 52.55 55.05 3hky s ASP 352 Cb 0.00 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.21 3hky s ASP 352 CO 0.00 -0.09 1.58 -2.84 0.21 0.00 0.00 175.17 174.03 3hky s PRO 353 N -0.88 4.16 0.65 8.23 0.02 -1.26 -4.67 135.00 141.24 3hky s PRO 353 Ca 0.45 2.51 -0.17 0.00 0.02 0.00 0.00 61.00 63.81 3hky s PRO 353 Cb -0.29 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.17 3hky s PRO 353 CO 0.36 -0.60 1.22 -1.25 -0.33 0.00 0.00 177.00 176.40 3hky s PRO 354 N -0.16 2.64 -0.05 5.54 0.04 -1.26 -5.03 135.00 136.72 3hky s PRO 354 Ca 0.64 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.56 3hky s PRO 354 Cb -0.47 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 3hky s PRO 354 CO 0.44 -1.47 -0.18 -0.65 0.04 0.00 0.00 177.00 175.19 3hky s GLN 355 N -3.54 1.92 0.22 4.56 -1.52 -1.26 -5.00 119.66 115.05 3hky s GLN 355 Ca 0.77 -0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 53.26 3hky s GLN 355 Cb -0.31 -1.63 -0.10 0.00 -0.22 0.00 0.00 33.01 30.75 3hky s GLN 355 CO 0.38 0.22 1.41 -2.14 -0.25 0.00 0.00 175.29 174.91 3hky s PRO 356 N 0.14 4.30 0.03 2.91 0.02 -1.26 -4.60 135.00 136.54 3hky s PRO 356 Ca -0.07 2.23 0.09 0.00 0.02 0.00 0.00 61.00 63.27 3hky s PRO 356 Cb -0.13 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3hky s PRO 356 CO 0.03 -0.38 -0.25 -1.21 -0.33 0.00 0.00 177.00 174.86 3hky s GLU 357 N -0.16 1.90 -0.03 5.54 0.41 0.11 -4.96 118.70 121.52 3hky s GLU 357 Ca 0.59 -1.06 0.04 0.00 -0.41 0.00 0.00 54.97 54.14 3hky s GLU 357 Cb -0.40 -2.03 0.06 0.00 -1.78 0.00 0.00 34.13 29.98 3hky s GLU 357 CO 0.41 0.53 1.03 0.66 -0.49 0.00 0.00 175.26 177.39 3hky n TYR 358 N 1.86 0.00 -4.00 1.61 4.02 -1.26 -0.95 117.16 118.44 3hky n TYR 358 Ca -0.17 -0.61 -0.22 0.00 -0.01 0.00 0.00 57.90 56.89 3hky n TYR 358 Cb 0.52 -0.07 -0.17 0.00 -0.02 0.00 0.00 39.34 39.60 3hky n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hky s ASP 359 N -1.42 1.40 0.42 7.72 -1.08 -1.26 -5.00 116.67 117.45 3hky s ASP 359 Ca 0.07 -0.14 0.09 0.00 -0.52 0.00 0.00 52.55 52.05 3hky s ASP 359 Cb 0.06 -0.52 0.91 0.00 -1.46 0.00 0.00 42.92 41.91 3hky s ASP 359 CO 0.01 -0.11 2.05 0.25 0.52 0.00 0.00 175.17 177.88 3hky h LEU 360 N 7.75 0.36 -1.22 -1.34 5.85 -1.98 -2.60 115.31 122.14 3hky h LEU 360 Ca -0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hky h LEU 360 Cb 1.14 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3hky h LEU 360 CO 0.38 0.30 0.00 -0.33 -0.34 0.00 0.00 178.44 178.45 3hky h GLU 361 N 0.42 0.00 -0.13 1.25 5.08 -1.97 -2.53 114.58 116.69 3hky h GLU 361 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hky h GLU 361 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hky h GLU 361 CO -0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.27 3hky n LEU 362 N -2.71 1.36 -4.74 1.33 4.77 -0.98 -4.50 117.00 111.53 3hky n LEU 362 Ca 0.01 -0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 55.08 3hky n LEU 362 Cb 0.26 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3hky n LEU 362 CO 0.23 0.28 -0.14 -0.63 -1.33 0.00 0.00 177.39 175.80 3hky s ILE 363 N -1.84 5.39 -0.19 -0.08 1.01 -0.96 -5.05 121.20 119.49 3hky s ILE 363 Ca 0.32 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 61.22 3hky s ILE 363 Cb 0.17 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 3hky s ILE 363 CO 0.26 0.44 -0.06 -0.89 0.00 0.00 0.00 174.94 174.68 3hky s THR 364 N 0.32 3.37 -0.03 2.92 2.01 -1.26 -4.35 115.64 118.62 3hky s THR 364 Ca 0.10 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3hky s THR 364 Cb -0.12 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.90 3hky s THR 364 CO -0.00 0.46 0.07 -0.94 -0.69 0.00 0.00 174.62 173.51 3hky s SER 365 N 1.08 -0.07 -1.65 3.53 1.04 -0.31 -4.73 113.70 112.59 3hky s SER 365 Ca 0.01 0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 3hky s SER 365 Cb -0.15 0.14 0.11 0.00 0.10 0.00 0.00 66.02 66.23 3hky s SER 365 CO -0.01 -0.03 0.53 0.00 0.98 0.00 0.00 173.24 174.71 3hky n SER 367 N -2.73 -0.33 -4.31 0.00 7.64 -1.26 -4.96 113.62 107.66 3hky n SER 367 Ca -0.07 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.57 3hky n SER 367 Cb 0.56 -0.87 -0.12 0.00 -1.01 0.00 0.00 64.21 62.78 3hky n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hky s SER 368 N -2.62 2.68 0.07 6.43 0.01 -0.18 -4.56 113.70 115.53 3hky s SER 368 Ca 0.00 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.56 3hky s SER 368 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 3hky s SER 368 CO 0.00 0.05 -0.13 0.54 0.41 0.00 0.00 173.24 174.11 3hky s ASN 369 N -2.15 1.49 0.26 2.44 4.22 -0.04 -1.16 114.94 120.00 3hky s ASN 369 Ca 0.10 -0.60 -0.29 0.00 -2.14 0.00 0.00 52.86 49.92 3hky s ASN 369 Cb -0.09 -0.03 -0.09 0.00 1.28 0.00 0.00 41.25 42.32 3hky s ASN 369 CO 0.05 -0.11 1.21 -0.69 -2.04 0.00 0.00 177.10 175.53 3hky s VAL 370 N -1.31 3.26 0.22 3.54 1.01 -1.26 -0.97 120.40 124.88 3hky s VAL 370 Ca -0.04 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 3hky s VAL 370 Cb -0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3hky s VAL 370 CO 0.02 0.24 0.15 -0.55 0.00 0.00 0.00 175.10 174.96 3hky s SER 371 N -0.35 0.33 -0.00 3.32 0.15 0.11 -4.47 113.70 112.79 3hky s SER 371 Ca 0.49 -1.43 0.06 0.00 0.70 0.00 0.00 55.95 55.78 3hky s SER 371 Cb -0.35 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.34 3hky s SER 371 CO 0.43 -0.86 -0.20 -0.69 1.20 0.00 0.00 173.24 173.11 3hky s VAL 372 N -4.08 1.60 0.09 4.45 1.01 -1.26 -1.48 120.40 120.73 3hky s VAL 372 Ca 0.39 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3hky s VAL 372 Cb 0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3hky s VAL 372 CO 0.14 0.40 0.06 0.00 0.00 0.00 0.00 175.10 175.70 3hky n ALA 373 N 2.44 0.17 -2.51 5.51 0.00 -0.64 -3.47 120.51 122.01 3hky n ALA 373 Ca -0.15 -0.52 -0.24 0.00 0.00 0.00 0.00 53.44 52.52 3hky n ALA 373 Cb 0.53 0.39 -0.14 0.00 0.00 0.00 0.00 19.45 20.23 3hky n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hky s HIS 374 N -2.20 1.64 0.62 0.00 3.76 -0.35 -0.53 115.29 118.23 3hky s HIS 374 Ca 0.08 -0.35 -0.08 0.00 -0.15 0.00 0.00 55.06 54.56 3hky s HIS 374 Cb 0.00 -1.00 0.14 0.00 1.11 0.00 0.00 32.58 32.83 3hky s HIS 374 CO 0.06 0.05 0.84 -0.40 -0.85 0.00 0.00 174.74 174.44 3hky n ASP 375 N 2.10 0.30 -0.23 1.40 5.68 -0.52 -0.90 116.55 124.38 3hky n ASP 375 Ca -0.17 -1.45 0.08 0.00 -0.50 0.00 0.00 54.79 52.76 3hky n ASP 375 Cb 0.54 -0.62 0.35 0.00 -1.14 0.00 0.00 41.12 40.24 3hky n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hky h ALA 376 N -1.50 1.74 -0.01 2.12 0.00 -1.91 -0.55 119.26 119.15 3hky h ALA 376 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hky h ALA 376 Cb 0.81 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hky h ALA 376 CO 0.22 0.10 -0.05 -1.13 0.00 0.00 0.00 179.25 178.38 3hky n SER 377 N -4.51 0.65 0.00 0.00 3.41 -1.26 -4.92 113.62 106.99 3hky n SER 377 Ca 0.14 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3hky n SER 377 Cb 0.32 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3hky n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hky n GLY 378 N 1.17 0.66 3.77 5.00 0.00 -0.21 -5.06 105.19 110.52 3hky n GLY 378 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hky n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hky s LYS 379 N -0.72 4.30 0.19 1.61 2.20 -1.26 -4.66 119.74 121.40 3hky s LYS 379 Ca 0.00 1.86 -0.31 0.00 -0.36 0.00 0.00 55.97 57.16 3hky s LYS 379 Cb 0.00 -2.90 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 3hky s LYS 379 CO 0.00 -0.11 1.53 1.03 -0.36 0.00 0.00 175.35 177.44 3hky s ARG 380 N -1.96 4.23 -0.10 4.03 0.52 -1.26 -1.43 118.95 122.98 3hky s ARG 380 Ca 0.52 2.34 0.01 0.00 -0.52 0.00 0.00 55.73 58.08 3hky s ARG 380 Cb -0.32 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.03 3hky s ARG 380 CO 0.41 -0.56 -0.12 0.08 0.02 0.00 0.00 175.30 175.13 3hky s VAL 381 N 0.82 1.23 0.23 3.52 1.01 0.31 -4.91 120.40 122.62 3hky s VAL 381 Ca 0.67 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 3hky s VAL 381 Cb -0.43 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 3hky s VAL 381 CO 0.35 0.39 0.70 -0.31 0.00 0.00 0.00 175.10 176.23 3hky s TYR 382 N 1.11 3.59 0.12 5.22 2.02 -1.26 -1.62 117.35 126.52 3hky s TYR 382 Ca -0.05 1.32 -0.18 0.00 -0.37 0.00 0.00 57.07 57.78 3hky s TYR 382 Cb -0.14 -2.57 0.04 0.00 -0.40 0.00 0.00 41.96 38.89 3hky s TYR 382 CO -0.02 0.30 0.45 1.52 -1.57 0.00 0.00 175.55 176.23 3hky s TYR 383 N -1.60 -0.29 -0.10 2.71 1.13 -0.55 -4.99 117.35 113.66 3hky s TYR 383 Ca 0.44 0.06 -0.14 0.00 -1.41 0.00 0.00 57.07 56.02 3hky s TYR 383 Cb -0.15 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 40.98 3hky s TYR 383 CO 0.20 -0.71 0.35 -0.51 -2.51 0.00 0.00 175.55 172.37 3hky s LEU 384 N -2.64 4.34 0.00 -3.49 1.43 -1.26 -0.71 118.68 116.35 3hky s LEU 384 Ca 0.01 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 3hky s LEU 384 Cb 0.01 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 3hky s LEU 384 CO -0.10 0.19 0.16 1.07 0.23 0.00 0.00 176.35 177.90 3hky n THR 385 N 2.85 0.00 -3.61 5.49 5.66 -0.14 -4.77 114.28 119.77 3hky n THR 385 Ca -0.13 -2.02 -0.09 0.00 -3.05 0.00 0.00 64.05 58.76 3hky n THR 385 Cb 0.52 0.82 -0.02 0.00 -1.55 0.00 0.00 70.33 70.10 3hky n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hky s ARG 386 N -3.25 1.41 0.09 1.09 1.70 -1.26 -0.86 118.95 117.86 3hky s ARG 386 Ca 0.23 -0.65 -0.32 0.00 -0.47 0.00 0.00 55.73 54.52 3hky s ARG 386 Cb 0.01 0.56 -0.11 0.00 -0.57 0.00 0.00 34.95 34.85 3hky s ARG 386 CO 0.16 -0.63 1.84 -3.47 -1.08 0.00 0.00 175.30 172.12 3hky n ASP 387 N -0.40 3.93 -0.02 -2.89 -0.08 -1.26 -4.89 116.55 110.93 3hky n ASP 387 Ca -0.11 0.98 0.11 0.00 -1.51 0.00 0.00 54.79 54.27 3hky n ASP 387 Cb 0.62 -1.52 0.64 0.00 2.34 0.00 0.00 41.12 43.21 3hky n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hky n PRO 388 N 5.78 1.03 0.11 -0.67 -0.04 -1.26 -4.34 135.00 135.60 3hky n PRO 388 Ca 0.19 -0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 3hky n PRO 388 Cb 0.36 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3hky n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hky h THR 389 N 0.09 0.76 -0.11 0.52 2.02 -1.95 -0.52 112.91 113.72 3hky h THR 389 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3hky h THR 389 Cb 0.02 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3hky h THR 389 CO 0.00 0.00 -0.14 0.74 0.37 0.00 0.00 175.52 176.49 3hky h THR 390 N -0.25 1.37 -0.81 3.16 2.02 -1.96 -1.41 112.91 115.04 3hky h THR 390 Ca -0.00 -1.35 0.16 0.00 0.77 0.00 0.00 66.41 65.99 3hky h THR 390 Cb 0.23 2.01 -0.10 0.00 -1.74 0.00 0.00 68.15 68.54 3hky h THR 390 CO -0.02 0.39 0.35 -0.65 0.37 0.00 0.00 175.52 175.95 3hky h PRO 391 N -0.13 0.45 -0.18 6.66 0.11 -1.81 -0.82 132.00 136.28 3hky h PRO 391 Ca 0.01 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3hky h PRO 391 Cb 0.69 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3hky h PRO 391 CO 0.03 0.30 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.99 3hky h LEU 392 N 0.46 0.36 -0.57 2.35 3.38 -0.88 -0.85 115.31 119.57 3hky h LEU 392 Ca 0.46 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3hky h LEU 392 Cb 0.74 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3hky h LEU 392 CO -0.43 0.67 0.16 0.00 0.09 0.00 0.00 178.44 178.93 3hky h ALA 393 N 0.70 0.69 -0.29 1.53 0.00 -1.03 -1.65 119.26 119.21 3hky h ALA 393 Ca 0.04 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3hky h ALA 393 Cb 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hky h ALA 393 CO 0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 179.25 178.78 3hky h ARG 394 N 0.31 0.56 -0.47 0.00 3.08 -1.10 -1.85 114.38 114.90 3hky h ARG 394 Ca 0.29 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 3hky h ARG 394 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3hky h ARG 394 CO -0.33 0.75 -0.12 0.00 -1.07 0.00 0.00 179.97 179.20 3hky h ALA 395 N 1.25 0.91 -0.35 0.04 0.00 -0.70 0.12 119.26 120.53 3hky h ALA 395 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3hky h ALA 395 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hky h ALA 395 CO 0.05 0.63 0.07 0.00 0.00 0.00 0.00 179.25 180.00 3hky h ALA 396 N 1.09 0.47 -0.08 0.00 0.00 -1.08 -0.68 119.26 118.97 3hky h ALA 396 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hky h ALA 396 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hky h ALA 396 CO 0.04 0.16 0.01 2.35 0.00 0.00 0.00 179.25 181.81 3hky h TRP 397 N 0.42 0.01 0.00 0.00 2.91 -1.03 -2.66 115.95 115.60 3hky h TRP 397 Ca 0.11 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 3hky h TRP 397 Cb 0.34 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.99 3hky h TRP 397 CO 0.02 -0.00 -0.07 0.93 -1.03 0.00 0.00 178.44 178.29 3hky h GLU 398 N 0.04 0.00 -0.20 2.65 5.08 -0.87 0.13 114.58 121.41 3hky h GLU 398 Ca 0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 3hky h GLU 398 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3hky h GLU 398 CO -0.06 0.07 -0.57 1.15 -1.00 0.00 0.00 179.01 178.59 3hky h THR 399 N 0.00 1.30 0.00 1.13 2.02 -0.83 -3.32 112.91 113.21 3hky h THR 399 Ca -0.00 -1.79 -0.05 0.00 0.77 0.00 0.00 66.41 65.34 3hky h THR 399 Cb 0.26 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3hky h THR 399 CO 0.01 0.57 -0.73 0.00 0.37 0.00 0.00 175.52 175.74 3hky h ALA 400 N 0.59 0.69 -3.39 6.16 0.00 -1.02 -3.45 119.26 118.85 3hky h ALA 400 Ca -0.01 -0.25 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 3hky h ALA 400 Cb 1.19 0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.67 3hky h ALA 400 CO 0.12 0.30 -0.78 1.03 0.00 0.00 0.00 179.25 179.92 3hky s ARG 401 N -3.16 0.99 -0.04 0.00 1.81 0.39 -5.02 118.95 113.92 3hky s ARG 401 Ca 0.02 -0.13 -0.30 0.00 -1.72 0.00 0.00 55.73 53.60 3hky s ARG 401 Cb 0.08 -1.02 -0.07 0.00 -0.45 0.00 0.00 34.95 33.48 3hky s ARG 401 CO 0.75 -0.12 1.97 -1.58 -0.68 0.00 0.00 175.30 175.64 3hky s HIS 402 N 1.14 1.36 0.19 -0.53 5.65 -1.26 -4.31 115.29 117.53 3hky s HIS 402 Ca -0.07 -0.15 0.09 0.00 0.25 0.00 0.00 55.06 55.17 3hky s HIS 402 Cb -0.14 -4.14 -0.04 0.00 -1.18 0.00 0.00 32.58 27.08 3hky s HIS 402 CO -0.01 -4.98 -0.06 0.95 -0.65 0.00 0.00 174.74 169.99 3hky s THR 403 N 5.23 3.36 0.19 0.89 -4.23 -1.26 -5.05 115.64 114.78 3hky s THR 403 Ca 0.89 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3hky s THR 403 Cb -0.39 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3hky s THR 403 CO 0.38 -0.16 1.53 1.55 -0.54 0.00 0.00 174.62 177.39 3hky h PRO 404 N 2.68 0.63 -5.65 3.99 0.13 -1.96 -3.42 132.00 128.41 3hky h PRO 404 Ca -0.46 -0.36 -0.66 0.00 -0.87 0.00 0.00 66.00 63.65 3hky h PRO 404 Cb 1.21 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 3hky h PRO 404 CO 0.56 0.96 -0.69 0.42 -0.23 0.00 0.00 178.00 179.03 3hky s ILE 405 N -4.17 3.73 -0.63 -3.56 -1.09 -1.26 -4.51 121.20 109.71 3hky s ILE 405 Ca -0.08 -0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 57.75 3hky s ILE 405 Cb 0.12 -2.58 0.16 0.00 -1.58 0.00 0.00 42.46 38.57 3hky s ILE 405 CO 0.84 0.54 0.58 0.20 -1.23 0.00 0.00 174.94 175.87 3hky s ASN 406 N -0.14 6.35 0.41 3.58 0.01 -0.24 -4.92 114.94 119.99 3hky s ASN 406 Ca 0.02 -2.08 0.10 0.00 -0.71 0.00 0.00 52.86 50.20 3hky s ASN 406 Cb -0.13 -2.20 0.88 0.00 0.41 0.00 0.00 41.25 40.21 3hky s ASN 406 CO 0.03 -0.77 1.98 0.77 -1.51 0.00 0.00 177.10 177.60 3hky h SER 407 N 8.53 0.22 -0.62 -1.22 4.64 -1.93 -2.60 113.55 120.57 3hky h SER 407 Ca -0.17 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 3hky h SER 407 Cb 1.08 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 3hky h SER 407 CO 0.95 0.31 0.41 4.11 -0.87 0.00 0.00 176.83 181.73 3hky h TRP 408 N 0.24 0.59 -0.12 4.77 5.08 -1.90 0.22 115.95 124.83 3hky h TRP 408 Ca 0.05 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.85 3hky h TRP 408 Cb 0.24 -0.19 0.01 0.00 -3.00 0.00 0.00 29.16 26.21 3hky h TRP 408 CO 0.00 0.31 -0.67 1.25 -1.28 0.00 0.00 178.44 178.05 3hky h LEU 409 N 0.58 0.79 -0.88 0.11 5.85 -1.85 -0.39 115.31 119.53 3hky h LEU 409 Ca 0.27 -0.65 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hky h LEU 409 Cb 0.31 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3hky h LEU 409 CO -0.08 1.31 0.42 1.23 -0.34 0.00 0.00 178.44 180.98 3hky h GLY 410 N 0.33 1.31 0.99 3.75 0.00 -1.29 -1.75 103.07 106.40 3hky h GLY 410 Ca -0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 3hky h GLY 410 CO 0.14 0.61 0.04 3.43 0.00 0.00 0.00 176.54 180.76 3hky h ASN 411 N 1.22 0.79 -0.95 0.19 2.35 -0.47 -0.16 115.58 118.55 3hky h ASN 411 Ca 0.29 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hky h ASN 411 Cb 0.11 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.21 3hky h ASN 411 CO -0.04 0.88 0.62 0.40 -1.65 0.00 0.00 177.43 177.64 3hky h ILE 412 N 0.68 1.17 -0.08 2.81 2.04 -0.92 0.17 117.51 123.38 3hky h ILE 412 Ca 0.14 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3hky h ILE 412 Cb 0.45 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3hky h ILE 412 CO 0.02 0.22 -0.28 0.40 0.00 0.00 0.00 178.15 178.51 3hky h ILE 413 N 1.21 1.42 0.00 -0.67 2.04 -1.04 -2.38 117.51 118.09 3hky h ILE 413 Ca 0.38 -1.66 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 3hky h ILE 413 Cb -0.01 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3hky h ILE 413 CO -0.12 0.48 -0.60 0.24 0.00 0.00 0.00 178.15 178.15 3hky h MET 414 N -0.16 0.00 -0.08 2.37 2.86 -0.95 -3.33 114.93 115.64 3hky h MET 414 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3hky h MET 414 Cb 0.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 3hky h MET 414 CO 0.06 0.49 -0.27 0.66 1.06 0.00 0.00 176.91 178.91 3hky n TYR 415 N -3.19 0.27 -0.25 -0.22 4.01 0.60 -4.87 117.16 113.51 3hky n TYR 415 Ca 0.01 -1.36 0.13 0.00 -0.16 0.00 0.00 57.90 56.51 3hky n TYR 415 Cb 0.75 -0.28 0.40 0.00 -0.31 0.00 0.00 39.34 39.90 3hky n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hky h ALA 416 N 0.81 1.89 0.00 -0.72 0.00 -1.55 -1.13 119.26 118.57 3hky h ALA 416 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hky h ALA 416 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hky h ALA 416 CO 0.09 -0.12 0.00 -2.30 0.00 0.00 0.00 179.25 176.92 3hky n PRO 417 N -4.54 0.06 -2.20 0.00 -0.02 -1.26 -4.37 135.00 122.67 3hky n PRO 417 Ca 0.17 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 3hky n PRO 417 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3hky n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hky s THR 418 N -2.91 3.52 0.23 3.45 -4.23 -0.43 -4.95 115.64 110.33 3hky s THR 418 Ca 0.11 0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 61.40 3hky s THR 418 Cb 0.13 -3.33 0.20 0.00 1.34 0.00 0.00 72.50 70.84 3hky s THR 418 CO 0.35 -0.31 1.86 0.25 -0.54 0.00 0.00 174.62 176.23 3hky h LEU 419 N 0.91 0.85 -0.19 4.79 5.85 -1.90 -2.73 115.31 122.89 3hky h LEU 419 Ca -0.48 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.04 3hky h LEU 419 Cb 1.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3hky h LEU 419 CO 0.57 0.57 -0.94 4.11 -0.34 0.00 0.00 178.44 182.41 3hky h TRP 420 N 1.00 0.22 -0.27 1.25 5.08 -1.92 -2.50 115.95 118.79 3hky h TRP 420 Ca 0.35 -0.13 -0.19 0.00 1.08 0.00 0.00 58.89 60.00 3hky h TRP 420 Cb 0.09 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.23 3hky h TRP 420 CO -0.03 0.99 -0.58 0.00 -1.28 0.00 0.00 178.44 177.54 3hky h ALA 421 N 0.96 0.45 0.21 0.11 0.00 -1.78 -2.41 119.26 116.80 3hky h ALA 421 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3hky h ALA 421 Cb 1.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3hky h ALA 421 CO 0.14 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.97 3hky h ARG 422 N 0.66 -0.27 0.17 0.00 3.08 -1.57 -1.05 114.38 115.40 3hky h ARG 422 Ca 0.01 0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.77 3hky h ARG 422 Cb 1.19 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.32 3hky h ARG 422 CO 0.13 0.08 -1.40 0.52 -1.07 0.00 0.00 179.97 178.23 3hky h MET 423 N -0.68 0.35 0.00 0.04 2.86 -1.56 -3.35 114.93 112.60 3hky h MET 423 Ca -0.03 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 3hky h MET 423 Cb 0.48 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3hky h MET 423 CO 0.05 1.27 -0.63 -0.89 1.06 0.00 0.00 176.91 177.77 3hky n ILE 424 N -3.57 0.94 0.08 -1.22 5.41 -0.93 -4.20 119.36 115.87 3hky n ILE 424 Ca -0.13 0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.76 3hky n ILE 424 Cb 1.06 -2.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.87 3hky n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hky h LEU 425 N -0.63 -0.10 -0.50 1.39 3.38 -1.39 -0.87 115.31 116.59 3hky h LEU 425 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hky h LEU 425 Cb 0.63 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hky h LEU 425 CO 0.00 -0.01 0.31 0.24 0.09 0.00 0.00 178.44 179.07 3hky h MET 426 N -0.18 0.68 0.15 1.13 2.86 -1.34 -1.14 114.93 117.08 3hky h MET 426 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3hky h MET 426 Cb 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hky h MET 426 CO 0.02 0.48 -0.07 1.15 1.06 0.00 0.00 176.91 179.55 3hky h THR 427 N 0.67 0.90 0.25 2.22 2.02 -1.64 -0.24 112.91 117.08 3hky h THR 427 Ca 0.18 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hky h THR 427 Cb -0.03 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3hky h THR 427 CO -0.04 0.04 -0.12 -0.74 0.37 0.00 0.00 175.52 175.04 3hky h HIS 428 N -0.28 -0.31 0.03 3.16 6.17 -1.12 0.25 115.15 123.05 3hky h HIS 428 Ca -0.02 -0.01 -0.22 0.00 0.71 0.00 0.00 60.37 60.83 3hky h HIS 428 Cb 0.22 0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 3hky h HIS 428 CO -0.04 -0.19 -0.98 0.74 0.71 0.00 0.00 177.93 178.17 3hky h PHE 429 N -0.34 0.35 -0.07 5.26 0.04 -1.21 -2.57 116.94 118.40 3hky h PHE 429 Ca -0.03 -0.21 -0.10 0.00 2.80 0.00 0.00 57.97 60.43 3hky h PHE 429 Cb 0.26 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3hky h PHE 429 CO -0.06 1.07 -0.41 0.74 -0.60 0.00 0.00 178.31 179.05 3hky h PHE 430 N 0.10 0.17 -0.32 -0.55 -1.00 -1.02 -2.02 116.94 112.30 3hky h PHE 430 Ca -0.07 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.68 3hky h PHE 430 Cb 1.65 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 41.15 3hky h PHE 430 CO 0.04 0.54 0.19 1.03 -1.61 0.00 0.00 178.31 178.50 3hky h SER 431 N 0.13 0.30 -0.25 2.17 0.87 -0.62 -2.26 113.55 113.90 3hky h SER 431 Ca 0.01 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 3hky h SER 431 Cb 0.78 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3hky h SER 431 CO 0.06 0.22 -0.24 0.40 -0.53 0.00 0.00 176.83 176.75 3hky h ILE 432 N 0.38 1.31 -0.53 2.23 2.04 -1.36 -1.47 117.51 120.12 3hky h ILE 432 Ca 0.13 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 3hky h ILE 432 Cb 0.00 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3hky h ILE 432 CO -0.06 0.44 0.05 -0.07 0.00 0.00 0.00 178.15 178.51 3hky h LEU 433 N 0.30 0.83 -0.08 1.44 3.38 -1.41 -0.01 115.31 119.76 3hky h LEU 433 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hky h LEU 433 Cb 0.79 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hky h LEU 433 CO 0.06 0.87 0.02 0.25 0.09 0.00 0.00 178.44 179.73 3hky h LEU 434 N 0.82 0.12 -1.55 1.67 5.85 -1.42 0.38 115.31 121.19 3hky h LEU 434 Ca 0.16 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3hky h LEU 434 Cb 0.42 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3hky h LEU 434 CO 0.01 0.31 0.30 0.00 -0.34 0.00 0.00 178.44 178.72 3hky h ALA 435 N 0.82 1.67 -0.27 1.25 0.00 -0.87 -1.84 119.26 120.02 3hky h ALA 435 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hky h ALA 435 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hky h ALA 435 CO -0.00 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.59 3hky n GLN 436 N -4.46 2.22 -3.66 0.00 6.02 -0.05 -4.97 117.38 112.47 3hky n GLN 436 Ca 0.04 -1.83 -0.30 0.00 -0.01 0.00 0.00 57.00 54.89 3hky n GLN 436 Cb 0.06 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 29.89 3hky n GLN 436 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hky n GLU 437 N 1.07 -1.37 -0.74 -1.09 1.02 0.17 -4.93 120.64 114.77 3hky n GLU 437 Ca 0.18 0.48 0.04 0.00 -0.02 0.00 0.00 57.16 57.83 3hky n GLU 437 Cb 0.51 -4.25 0.05 0.00 -0.02 0.00 0.00 31.44 27.74 3hky n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hky n GLN 438 N -4.13 0.40 0.25 3.49 6.02 0.11 -4.84 117.38 118.68 3hky n GLN 438 Ca -0.10 -1.84 0.08 0.00 -0.01 0.00 0.00 57.00 55.13 3hky n GLN 438 Cb 0.60 -0.65 0.61 0.00 1.02 0.00 0.00 30.24 31.82 3hky n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hky h LEU 439 N 0.42 0.00 -0.57 1.08 3.38 -1.92 -2.46 115.31 115.24 3hky h LEU 439 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hky h LEU 439 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3hky h LEU 439 CO 0.03 0.07 -0.14 -0.62 0.09 0.00 0.00 178.44 177.87 3hky n GLU 440 N -4.37 1.06 -3.07 1.13 1.02 -1.26 -3.36 120.64 111.78 3hky n GLU 440 Ca -0.03 -0.57 -0.40 0.00 -0.02 0.00 0.00 57.16 56.15 3hky n GLU 440 Cb 0.15 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 3hky n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3hky s LYS 441 N -2.33 4.39 0.29 3.49 2.20 -0.93 -4.94 119.74 121.92 3hky s LYS 441 Ca 0.30 0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 56.43 3hky s LYS 441 Cb 0.20 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 3hky s LYS 441 CO 0.45 0.02 1.07 0.00 -0.36 0.00 0.00 175.35 176.53 3hky s ALA 442 N 0.99 3.36 0.02 3.13 0.00 -1.26 -4.46 121.76 123.54 3hky s ALA 442 Ca 0.35 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.20 3hky s ALA 442 Cb -0.17 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3hky s ALA 442 CO 0.16 -0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 175.13 3hky s LEU 443 N -1.56 2.11 0.03 0.00 1.43 0.59 -4.85 118.68 116.43 3hky s LEU 443 Ca 0.46 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.91 3hky s LEU 443 Cb -0.30 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 3hky s LEU 443 CO 0.38 0.13 0.83 -1.81 0.23 0.00 0.00 176.35 176.11 3hky s ASP 444 N -0.79 7.26 0.29 2.29 1.01 -1.26 -0.79 116.67 124.68 3hky s ASP 444 Ca 0.05 1.51 0.05 0.00 0.71 0.00 0.00 52.55 54.86 3hky s ASP 444 Cb -0.07 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3hky s ASP 444 CO 0.01 -0.06 0.23 0.00 0.21 0.00 0.00 175.17 175.55 3hky s GLN 446 N -3.69 2.55 -0.14 0.00 -0.21 -1.26 0.11 119.66 117.03 3hky s GLN 446 Ca 0.40 -0.72 -0.01 0.00 0.02 0.00 0.00 55.36 55.05 3hky s GLN 446 Cb 0.04 -2.37 0.04 0.00 1.00 0.00 0.00 33.01 31.71 3hky s GLN 446 CO 0.22 0.58 -0.04 0.42 -2.12 0.00 0.00 175.29 174.34 3hky s ILE 447 N -0.61 0.92 -1.52 1.08 -1.09 -0.36 -4.65 121.20 114.97 3hky s ILE 447 Ca 0.09 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 57.98 3hky s ILE 447 Cb -0.11 -1.07 0.11 0.00 -1.58 0.00 0.00 42.46 39.81 3hky s ILE 447 CO 0.01 0.20 0.75 -1.22 -1.23 0.00 0.00 174.94 173.45 3hky n TYR 448 N 4.96 -1.92 0.00 3.97 4.01 -1.26 -2.17 117.16 124.74 3hky n TYR 448 Ca -0.11 0.72 0.00 0.00 -0.16 0.00 0.00 57.90 58.35 3hky n TYR 448 Cb 0.49 -3.25 0.00 0.00 -0.31 0.00 0.00 39.34 36.27 3hky n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hky n GLY 449 N -1.40 3.02 3.86 2.72 0.00 -1.26 -1.30 105.19 110.82 3hky n GLY 449 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hky n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hky s ALA 450 N -2.10 3.41 -0.14 4.61 0.00 -0.92 -4.36 121.76 122.26 3hky s ALA 450 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 3hky s ALA 450 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 3hky s ALA 450 CO 0.00 0.30 0.21 0.00 0.00 0.00 0.00 175.76 176.28 3hky s TYR 452 N -0.25 1.09 -0.24 0.00 1.51 0.12 -1.43 117.35 118.15 3hky s TYR 452 Ca 0.15 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 3hky s TYR 452 Cb -0.13 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 3hky s TYR 452 CO 0.04 0.02 0.04 0.45 -1.11 0.00 0.00 175.55 174.99 3hky s SER 453 N -1.43 4.93 -0.00 2.29 0.15 -1.26 -0.95 113.70 117.43 3hky s SER 453 Ca -0.02 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.44 3hky s SER 453 Cb -0.09 -1.88 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 3hky s SER 453 CO 0.01 -0.03 -0.20 -0.63 1.20 0.00 0.00 173.24 173.59 3hky s ILE 454 N 1.58 1.58 -0.14 6.45 -1.09 0.03 -4.85 121.20 124.77 3hky s ILE 454 Ca 0.06 -0.93 -0.18 0.00 -2.23 0.00 0.00 60.65 57.36 3hky s ILE 454 Cb -0.15 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 3hky s ILE 454 CO 0.02 0.38 0.50 -1.61 -1.23 0.00 0.00 174.94 173.00 3hky s GLU 455 N -0.65 4.30 0.40 2.79 2.02 -1.26 -0.30 118.70 126.01 3hky s GLU 455 Ca 0.08 0.45 0.17 0.00 0.02 0.00 0.00 54.97 55.69 3hky s GLU 455 Cb -0.08 -3.47 1.06 0.00 0.10 0.00 0.00 34.13 31.74 3hky s GLU 455 CO -0.00 0.06 1.82 -1.35 0.02 0.00 0.00 175.26 175.82 3hky h PRO 456 N 6.94 0.42 0.00 0.39 0.11 -1.78 -0.80 132.00 137.29 3hky h PRO 456 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hky h PRO 456 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hky h PRO 456 CO 0.75 0.28 0.00 -0.07 -0.21 0.00 0.00 178.00 178.75 3hky h LEU 457 N 0.44 0.00 -1.59 2.35 3.38 -1.93 -1.65 115.31 116.29 3hky h LEU 457 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3hky h LEU 457 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hky h LEU 457 CO -0.23 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.77 3hky n ASP 458 N -2.73 2.36 -0.12 -0.43 8.00 -0.31 -4.50 116.55 118.82 3hky n ASP 458 Ca -0.01 -1.88 -0.08 0.00 0.71 0.00 0.00 54.79 53.52 3hky n ASP 458 Cb 0.12 -0.21 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3hky n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hky h LEU 459 N 2.89 0.46 -0.57 0.64 3.38 -1.39 -2.79 115.31 117.93 3hky h LEU 459 Ca 0.00 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3hky h LEU 459 Cb 0.64 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3hky h LEU 459 CO 0.00 0.35 0.22 -0.65 0.09 0.00 0.00 178.44 178.45 3hky h PRO 460 N 0.52 0.39 -0.67 1.13 0.11 -1.82 0.13 132.00 131.79 3hky h PRO 460 Ca 0.14 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.23 3hky h PRO 460 Cb -0.03 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 3hky h PRO 460 CO -0.03 0.26 0.44 1.96 -0.21 0.00 0.00 178.00 180.42 3hky h GLN 461 N 0.40 0.88 -0.54 1.05 7.50 -1.89 -1.04 115.11 121.48 3hky h GLN 461 Ca 0.28 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.35 3hky h GLN 461 Cb 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 3hky h GLN 461 CO -0.27 0.59 0.23 0.82 -1.50 0.00 0.00 178.83 178.69 3hky h ILE 462 N 0.91 1.21 -0.31 2.54 2.04 -1.16 -2.36 117.51 120.37 3hky h ILE 462 Ca 0.24 -0.65 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 3hky h ILE 462 Cb -0.10 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3hky h ILE 462 CO -0.05 0.25 -0.29 0.40 0.00 0.00 0.00 178.15 178.46 3hky h ILE 463 N 0.73 1.30 -0.66 -0.67 2.04 -0.81 -2.24 117.51 117.20 3hky h ILE 463 Ca 0.18 -1.46 0.10 0.00 1.00 0.00 0.00 64.86 64.68 3hky h ILE 463 Cb 0.18 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3hky h ILE 463 CO -0.02 0.47 0.29 -0.08 0.00 0.00 0.00 178.15 178.81 3hky h GLU 464 N 0.50 0.48 -0.48 2.37 4.81 -1.08 -0.79 114.58 120.39 3hky h GLU 464 Ca 0.05 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3hky h GLU 464 Cb 0.87 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3hky h GLU 464 CO 0.07 0.32 0.05 0.00 -0.73 0.00 0.00 179.01 178.72 3hky h ARG 465 N 0.50 0.82 0.00 1.92 2.47 -1.21 0.17 114.38 119.05 3hky h ARG 465 Ca 0.33 -0.24 -0.10 0.00 -1.26 0.00 0.00 59.98 58.71 3hky h ARG 465 Cb 0.38 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3hky h ARG 465 CO -0.29 0.84 -0.51 -0.07 0.56 0.00 0.00 179.97 180.50 3hky h LEU 466 N 0.68 0.00 0.00 3.04 4.07 -1.12 -3.40 115.31 118.58 3hky h LEU 466 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3hky h LEU 466 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3hky h LEU 466 CO 0.02 0.48 -0.51 1.41 -1.08 0.00 0.00 178.44 178.76 3hky n HIS 467 N -3.21 0.00 0.00 1.13 8.25 -0.33 -1.48 115.22 119.58 3hky n HIS 467 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3hky n HIS 467 Cb 0.73 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.84 3hky n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hky n GLY 468 N 1.29 -0.61 0.28 -1.41 0.00 0.60 -4.53 105.19 100.82 3hky n GLY 468 Ca 0.00 -1.70 0.18 0.00 0.00 0.00 0.00 46.02 44.50 3hky n GLY 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hky h LEU 469 N 0.00 0.00 -1.48 0.99 5.85 -1.89 -2.39 115.31 116.39 3hky h LEU 469 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hky h LEU 469 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hky h LEU 469 CO 0.00 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 178.87 3hky h SER 470 N 0.00 0.00 0.06 1.25 4.64 -1.96 -2.61 113.55 114.93 3hky h SER 470 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hky h SER 470 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hky h SER 470 CO 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 3hky h ALA 471 N 2.09 1.75 -0.01 5.18 0.00 -1.66 -1.87 119.26 124.74 3hky h ALA 471 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hky h ALA 471 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hky h ALA 471 CO 0.00 0.05 -0.17 1.19 0.00 0.00 0.00 179.25 180.32 3hky n PHE 472 N -4.23 0.00 -0.38 0.00 3.72 -0.98 -4.32 117.46 111.27 3hky n PHE 472 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3hky n PHE 472 Cb 0.13 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3hky n PHE 472 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3hky n THR 473 N -0.21 0.04 -1.97 4.37 -2.24 -0.76 -4.49 114.28 109.03 3hky n THR 473 Ca 0.14 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 3hky n THR 473 Cb 0.37 1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.93 3hky n THR 473 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hky s LEU 474 N -0.04 4.38 0.00 3.22 1.43 -0.90 -3.76 118.68 123.01 3hky s LEU 474 Ca 0.00 2.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.88 3hky s LEU 474 Cb 0.00 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.59 3hky s LEU 474 CO 0.00 -0.70 0.59 0.00 0.23 0.00 0.00 176.35 176.46 3hky n HIS 475 N 0.80 -1.79 -3.65 0.29 1.44 -0.08 -4.97 115.22 107.27 3hky n HIS 475 Ca 0.01 -2.03 -0.28 0.00 -2.01 0.00 0.00 57.72 53.41 3hky n HIS 475 Cb 0.40 0.68 0.04 0.00 0.12 0.00 0.00 29.99 31.23 3hky n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3hky n SER 476 N -1.58 -4.78 -4.77 4.39 7.64 -1.26 -1.21 113.62 112.04 3hky n SER 476 Ca -0.03 -0.96 -0.31 0.00 1.01 0.00 0.00 58.87 58.57 3hky n SER 476 Cb 0.56 -3.64 0.08 0.00 -1.01 0.00 0.00 64.21 60.20 3hky n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hky s TYR 477 N -3.51 2.63 0.52 1.43 1.51 -1.26 -4.14 117.35 114.52 3hky s TYR 477 Ca 0.40 1.54 -0.20 0.00 -1.01 0.00 0.00 57.07 57.80 3hky s TYR 477 Cb -0.13 -3.06 -0.06 0.00 -0.11 0.00 0.00 41.96 38.60 3hky s TYR 477 CO 0.84 -1.72 1.13 -1.54 -1.11 0.00 0.00 175.55 173.15 3hky s SER 478 N -3.25 5.89 0.25 2.29 1.04 -1.23 -4.85 113.70 113.84 3hky s SER 478 Ca 0.62 2.20 -0.06 0.00 0.48 0.00 0.00 55.95 59.19 3hky s SER 478 Cb -0.18 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 63.65 3hky s SER 478 CO 0.53 -1.10 1.90 -0.65 0.98 0.00 0.00 173.24 174.90 3hky h PRO 479 N 1.46 1.20 -0.88 4.02 0.11 -1.95 -1.38 132.00 134.58 3hky h PRO 479 Ca -0.50 -0.07 0.09 0.00 0.11 0.00 0.00 66.00 65.63 3hky h PRO 479 Cb 1.26 -0.27 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 3hky h PRO 479 CO 0.58 0.79 0.53 0.78 -0.21 0.00 0.00 178.00 180.47 3hky h GLY 480 N 1.23 1.36 0.86 -0.55 0.00 -1.98 0.19 103.07 104.18 3hky h GLY 480 Ca 0.37 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 3hky h GLY 480 CO -0.11 0.18 -0.19 -2.09 0.00 0.00 0.00 176.54 174.33 3hky h GLU 481 N 0.90 0.53 -0.53 4.80 4.57 -1.78 -1.18 114.58 121.89 3hky h GLU 481 Ca 0.41 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3hky h GLU 481 Cb 0.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3hky h GLU 481 CO -0.23 0.84 0.29 0.82 -1.18 0.00 0.00 179.01 179.56 3hky h ILE 482 N 0.22 1.18 -0.37 2.32 2.04 -1.05 -1.45 117.51 120.40 3hky h ILE 482 Ca 0.04 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.32 3hky h ILE 482 Cb 0.73 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3hky h ILE 482 CO 0.05 0.19 -0.27 0.78 0.00 0.00 0.00 178.15 178.90 3hky h ASN 483 N 0.70 0.80 -0.53 1.72 -0.26 -0.89 -1.04 115.58 116.08 3hky h ASN 483 Ca 0.19 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 3hky h ASN 483 Cb 0.05 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 3hky h ASN 483 CO -0.03 1.03 0.34 -0.09 -1.06 0.00 0.00 177.43 177.62 3hky h ARG 484 N 0.67 0.70 -0.25 0.81 2.43 -0.94 -1.67 114.38 116.14 3hky h ARG 484 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hky h ARG 484 Cb 0.80 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3hky h ARG 484 CO 0.07 0.49 0.10 0.28 -1.51 0.00 0.00 179.97 179.39 3hky h VAL 485 N 0.71 1.17 -0.57 0.20 2.07 -0.93 -2.46 116.25 116.44 3hky h VAL 485 Ca 0.19 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3hky h VAL 485 Cb -0.05 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3hky h VAL 485 CO -0.04 0.17 0.09 0.00 0.02 0.00 0.00 177.57 177.82 3hky h ALA 486 N 0.94 1.09 -0.17 1.67 0.00 -1.10 -1.55 119.26 120.12 3hky h ALA 486 Ca 0.08 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3hky h ALA 486 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hky h ALA 486 CO -0.01 0.59 -0.56 0.66 0.00 0.00 0.00 179.25 179.94 3hky h SER 487 N 0.87 0.60 -0.63 0.00 4.64 -1.32 -2.18 113.55 115.53 3hky h SER 487 Ca 0.18 -0.32 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3hky h SER 487 Cb 0.38 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3hky h SER 487 CO 0.01 1.03 0.37 0.00 -0.87 0.00 0.00 176.83 177.37 3hky h LEU 489 N 0.71 0.72 -0.16 0.00 3.38 -1.09 -1.70 115.31 117.16 3hky h LEU 489 Ca 0.26 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hky h LEU 489 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3hky h LEU 489 CO -0.13 0.73 -0.11 0.03 0.09 0.00 0.00 178.44 179.05 3hky h ARG 490 N 0.66 -0.11 -0.81 1.13 3.08 -1.29 -0.47 114.38 116.57 3hky h ARG 490 Ca 0.16 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.30 3hky h ARG 490 Cb 0.27 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 3hky h ARG 490 CO -0.00 -0.07 0.47 -0.22 -1.07 0.00 0.00 179.97 179.07 3hky h LYS 491 N -0.11 0.77 -0.00 0.04 3.64 -0.87 -2.95 116.57 117.09 3hky h LYS 491 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hky h LYS 491 Cb 0.26 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3hky h LYS 491 CO -0.23 0.51 -0.60 1.28 -2.27 0.00 0.00 179.45 178.14 3hky n LEU 492 N -4.74 0.95 -0.94 5.20 4.77 -0.68 -4.96 117.00 116.61 3hky n LEU 492 Ca 0.13 -0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 55.76 3hky n LEU 492 Cb 0.26 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3hky n LEU 492 CO 0.27 0.21 0.01 0.61 -1.33 0.00 0.00 177.39 177.16 3hky n GLY 493 N 1.46 0.41 3.76 -0.72 0.00 -0.36 -2.14 105.19 107.61 3hky n GLY 493 Ca 0.07 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 3hky n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hky s VAL 494 N -2.71 5.08 0.62 1.61 1.01 -0.33 -0.73 120.40 124.94 3hky s VAL 494 Ca 0.08 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 3hky s VAL 494 Cb -0.03 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3hky s VAL 494 CO 0.10 0.42 1.11 -2.65 0.00 0.00 0.00 175.10 174.08 3hky n PRO 495 N 2.92 1.01 -1.18 2.72 -0.02 -1.26 -4.47 135.00 134.72 3hky n PRO 495 Ca -0.09 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 3hky n PRO 495 Cb 0.52 -2.33 0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3hky n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hky s PRO 496 N -3.02 1.98 0.49 0.52 0.04 -1.26 -4.79 135.00 128.96 3hky s PRO 496 Ca 0.79 1.33 0.23 0.00 0.04 0.00 0.00 61.00 63.38 3hky s PRO 496 Cb -0.40 -1.85 1.28 0.00 0.04 0.00 0.00 34.50 33.56 3hky s PRO 496 CO 0.44 -1.87 1.94 -0.07 0.04 0.00 0.00 177.00 177.48 3hky h LEU 497 N -1.15 0.16 -1.36 -3.56 3.38 -1.98 0.43 115.31 111.23 3hky h LEU 497 Ca -0.44 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.60 3hky h LEU 497 Cb 1.25 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3hky h LEU 497 CO 0.49 0.08 0.48 0.08 0.09 0.00 0.00 178.44 179.65 3hky h ARG 498 N 0.16 0.76 -0.25 1.13 0.11 -2.00 -1.13 114.38 113.16 3hky h ARG 498 Ca 0.34 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 60.22 3hky h ARG 498 Cb 1.09 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.00 3hky h ARG 498 CO -0.05 0.51 -0.45 1.15 0.10 0.00 0.00 179.97 181.22 3hky h THR 499 N 0.79 1.30 -0.84 0.08 2.02 -1.25 -2.87 112.91 112.14 3hky h THR 499 Ca 0.31 -1.65 0.01 0.00 0.77 0.00 0.00 66.41 65.85 3hky h THR 499 Cb 0.21 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3hky h THR 499 CO -0.10 0.53 0.55 -0.50 0.37 0.00 0.00 175.52 176.37 3hky h TRP 500 N 0.47 1.05 -0.49 3.16 4.06 -1.22 -0.89 115.95 122.09 3hky h TRP 500 Ca 0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3hky h TRP 500 Cb 1.05 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 3hky h TRP 500 CO 0.08 0.66 0.28 -0.09 -3.56 0.00 0.00 178.44 175.81 3hky h ARG 501 N 1.13 0.67 -0.44 0.49 2.43 -1.11 0.14 114.38 117.68 3hky h ARG 501 Ca 0.31 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3hky h ARG 501 Cb -0.12 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3hky h ARG 501 CO -0.07 0.51 0.29 1.25 -1.51 0.00 0.00 179.97 180.44 3hky h HIS 502 N 0.65 0.56 -0.63 2.20 2.76 -1.25 -2.39 115.15 117.04 3hky h HIS 502 Ca 0.17 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 3hky h HIS 502 Cb 0.02 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 3hky h HIS 502 CO -0.02 0.35 0.17 0.00 -1.30 0.00 0.00 177.93 177.13 3hky h ARG 503 N 0.60 0.98 -0.17 5.26 3.08 -0.85 -2.93 114.38 120.35 3hky h ARG 503 Ca 0.16 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3hky h ARG 503 Cb -0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3hky h ARG 503 CO -0.03 0.86 -0.25 0.00 -1.07 0.00 0.00 179.97 179.47 3hky h ALA 504 N 1.24 1.25 -0.48 0.04 0.00 -0.46 -2.36 119.26 118.49 3hky h ALA 504 Ca 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hky h ALA 504 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hky h ALA 504 CO -0.00 0.50 0.07 0.00 0.00 0.00 0.00 179.25 179.81 3hky h ARG 505 N 0.29 0.75 -0.15 0.00 3.08 -1.24 0.35 114.38 117.46 3hky h ARG 505 Ca 0.04 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3hky h ARG 505 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3hky h ARG 505 CO 0.04 0.71 -0.47 1.03 -1.07 0.00 0.00 179.97 180.21 3hky h SER 506 N 0.71 0.67 -0.54 7.04 0.87 -1.48 -2.17 113.55 118.65 3hky h SER 506 Ca 0.15 -0.60 -0.07 0.00 -1.23 0.00 0.00 61.79 60.04 3hky h SER 506 Cb 0.34 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3hky h SER 506 CO 0.01 1.15 0.07 0.58 -0.53 0.00 0.00 176.83 178.11 3hky h VAL 507 N 0.22 1.26 -0.66 2.23 2.07 -1.11 -2.89 116.25 117.37 3hky h VAL 507 Ca -0.02 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3hky h VAL 507 Cb 1.10 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3hky h VAL 507 CO 0.10 0.36 0.38 -0.09 0.02 0.00 0.00 177.57 178.34 3hky h ARG 508 N 0.79 0.70 -0.62 1.57 2.43 -0.29 -1.09 114.38 117.85 3hky h ARG 508 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3hky h ARG 508 Cb 0.43 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3hky h ARG 508 CO 0.01 0.46 0.32 0.00 -1.51 0.00 0.00 179.97 179.25 3hky h ALA 509 N 1.33 0.80 -0.50 2.80 0.00 -1.27 -1.20 119.26 121.22 3hky h ALA 509 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hky h ALA 509 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hky h ALA 509 CO -0.16 0.35 -0.06 0.87 0.00 0.00 0.00 179.25 180.25 3hky h LYS 510 N 0.85 0.92 -0.15 0.00 1.57 -1.27 -1.34 116.57 117.15 3hky h LYS 510 Ca 0.22 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hky h LYS 510 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hky h LYS 510 CO -0.03 0.97 0.08 -0.07 -0.57 0.00 0.00 179.45 179.83 3hky h LEU 511 N 0.77 0.19 -1.14 2.94 3.38 -1.07 -2.86 115.31 117.51 3hky h LEU 511 Ca 0.13 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hky h LEU 511 Cb 0.60 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3hky h LEU 511 CO 0.04 0.23 0.59 -0.07 0.09 0.00 0.00 178.44 179.32 3hky h LEU 512 N 0.13 0.94 -2.12 1.67 3.38 -1.14 -1.63 115.31 116.54 3hky h LEU 512 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hky h LEU 512 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hky h LEU 512 CO -0.01 0.63 -0.03 0.77 0.09 0.00 0.00 178.44 179.89 3hky h SER 513 N 1.08 0.00 0.41 -0.43 4.64 -1.02 -2.92 113.55 115.32 3hky h SER 513 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hky h SER 513 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hky h SER 513 CO -0.12 0.03 -0.11 0.00 -0.87 0.00 0.00 176.83 175.76 3hky n GLN 514 N -4.19 0.61 -0.23 4.77 6.02 -0.62 -5.05 117.38 118.70 3hky n GLN 514 Ca -0.03 -0.19 0.03 0.00 -0.01 0.00 0.00 57.00 56.80 3hky n GLN 514 Cb 0.12 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 3hky n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hky n GLY 515 N 1.30 -0.90 7.00 1.08 0.00 -1.10 -4.80 105.19 107.76 3hky n GLY 515 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3hky n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 516 N -0.68 2.61 0.15 -0.02 0.00 -1.26 -2.02 105.19 103.96 3hky n GLY 516 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 3hky n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hky h ARG 517 N 0.00 0.01 -0.59 1.61 3.08 -1.93 -2.72 114.38 113.83 3hky h ARG 517 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3hky h ARG 517 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hky h ARG 517 CO 0.00 0.56 0.20 0.00 -1.07 0.00 0.00 179.97 179.66 3hky h ALA 518 N 1.44 0.77 -0.62 0.04 0.00 -1.82 -1.64 119.26 117.43 3hky h ALA 518 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hky h ALA 518 Cb 0.99 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hky h ALA 518 CO 0.07 0.42 0.41 0.00 0.00 0.00 0.00 179.25 180.16 3hky h ALA 519 N 1.06 1.63 -0.44 0.00 0.00 -1.10 -0.43 119.26 119.97 3hky h ALA 519 Ca 0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3hky h ALA 519 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hky h ALA 519 CO -0.01 0.32 -0.20 1.15 0.00 0.00 0.00 179.25 180.51 3hky h THR 520 N 0.77 1.27 -0.32 0.00 2.02 -1.21 0.27 112.91 115.72 3hky h THR 520 Ca 0.24 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.08 3hky h THR 520 Cb 0.02 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3hky h THR 520 CO -0.06 0.46 0.20 0.00 0.37 0.00 0.00 175.52 176.49 3hky h GLY 522 N 0.42 0.16 0.91 0.00 0.00 -0.79 0.53 103.07 104.30 3hky h GLY 522 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 3hky h GLY 522 CO -0.02 -0.05 0.03 -0.09 0.00 0.00 0.00 176.54 176.41 3hky h ARG 523 N 0.04 0.60 0.06 4.80 2.43 -0.24 -3.18 114.38 118.88 3hky h ARG 523 Ca 0.09 -0.17 -0.27 0.00 -0.81 0.00 0.00 59.98 58.81 3hky h ARG 523 Cb 0.13 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3hky h ARG 523 CO -0.17 0.69 -1.47 1.88 -1.51 0.00 0.00 179.97 179.38 3hky h TYR 524 N 0.42 0.25 0.00 2.20 -1.99 -0.93 -3.22 116.97 113.70 3hky h TYR 524 Ca 0.10 -0.18 -0.09 0.00 2.00 0.00 0.00 58.73 60.56 3hky h TYR 524 Cb 0.40 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 3hky h TYR 524 CO 0.03 1.58 -0.44 -0.07 -0.00 0.00 0.00 178.16 179.25 3hky h LEU 525 N -0.53 0.00 -3.03 3.88 3.38 -1.05 -3.30 115.31 114.66 3hky h LEU 525 Ca -0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hky h LEU 525 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 3hky h LEU 525 CO -0.05 0.44 -0.06 0.49 0.09 0.00 0.00 178.44 179.35 3hky n PHE 526 N -3.40 0.11 0.29 1.13 3.72 -1.20 -4.66 117.46 113.45 3hky n PHE 526 Ca 0.01 -1.05 0.14 0.00 -0.05 0.00 0.00 57.45 56.50 3hky n PHE 526 Cb 0.61 -0.18 0.88 0.00 -0.94 0.00 0.00 39.48 39.85 3hky n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hky h ASN 527 N 0.31 0.00 0.34 4.37 -1.24 -1.64 -0.93 115.58 116.79 3hky h ASN 527 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3hky h ASN 527 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 3hky h ASN 527 CO 0.03 0.00 0.00 4.11 -1.29 0.00 0.00 177.43 180.28 3hky h TRP 528 N 0.00 0.00 -0.01 0.67 5.08 -1.83 -3.13 115.95 116.73 3hky h TRP 528 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hky h TRP 528 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 3hky h TRP 528 CO 0.00 0.00 -0.29 0.00 -1.28 0.00 0.00 178.44 176.87 3hky n ALA 529 N -2.05 3.15 -2.44 0.11 0.00 -0.35 -4.88 120.51 114.05 3hky n ALA 529 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 3hky n ALA 529 Cb 0.15 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3hky n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hky s VAL 530 N -2.43 2.58 -0.11 0.00 -7.23 -1.18 -4.79 120.40 107.23 3hky s VAL 530 Ca 0.24 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 3hky s VAL 530 Cb 0.19 -2.17 -0.25 0.00 0.56 0.00 0.00 36.38 34.71 3hky s VAL 530 CO 0.51 0.09 0.88 -0.09 -0.31 0.00 0.00 175.10 176.18 3hky h ARG 531 N 3.78 0.01 -5.78 4.82 1.12 -1.89 -3.39 114.38 113.05 3hky h ARG 531 Ca -0.50 -0.02 -0.62 0.00 -1.11 0.00 0.00 59.98 57.73 3hky h ARG 531 Cb 1.17 0.01 -0.12 0.00 -0.01 0.00 0.00 29.97 31.01 3hky h ARG 531 CO 0.43 0.91 1.18 0.99 -3.11 0.00 0.00 179.97 180.36 3hky s THR 532 N -2.64 4.15 0.44 0.20 2.01 -1.26 -4.97 115.64 113.57 3hky s THR 532 Ca -0.18 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 3hky s THR 532 Cb -0.02 -4.93 -0.07 0.00 0.01 0.00 0.00 72.50 67.48 3hky s THR 532 CO 0.69 -1.77 0.86 -0.54 -0.69 0.00 0.00 174.62 173.17 3hky s LYS 533 N 4.36 3.88 0.17 4.92 1.02 -1.26 -5.05 119.74 127.78 3hky s LYS 533 Ca 0.39 0.70 -0.19 0.00 0.02 0.00 0.00 55.97 56.90 3hky s LYS 533 Cb -0.04 -2.29 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 3hky s LYS 533 CO -0.05 -0.11 0.66 -0.51 -0.92 0.00 0.00 175.35 174.42 3hky s LEU 534 N -3.83 4.39 -0.13 3.17 1.02 -1.26 -5.04 118.68 117.00 3hky s LEU 534 Ca 0.55 1.32 -0.29 0.00 0.02 0.00 0.00 54.13 55.72 3hky s LEU 534 Cb -0.10 -3.37 -0.03 0.00 0.02 0.00 0.00 46.19 42.71 3hky s LEU 534 CO 0.29 0.10 1.36 -0.54 0.02 0.00 0.00 176.35 177.58 3hky s LYS 535 N -1.78 4.23 -0.31 1.70 1.02 -1.26 -5.00 119.74 118.34 3hky s LYS 535 Ca 0.39 1.80 -0.15 0.00 0.02 0.00 0.00 55.97 58.03 3hky s LYS 535 Cb -0.17 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3hky s LYS 535 CO 0.21 -0.73 0.35 -0.51 -0.92 0.00 0.00 175.35 173.75 3hky s LEU 536 N 3.54 4.24 0.29 3.17 1.43 -1.26 -5.07 118.68 125.01 3hky s LEU 536 Ca 0.60 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 3hky s LEU 536 Cb -0.25 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 3hky s LEU 536 CO 0.19 -0.25 0.42 0.42 0.23 0.00 0.00 176.35 177.36 3hky s THR 537 N 2.03 4.61 0.41 5.49 -4.23 -1.26 -5.07 115.64 117.62 3hky s THR 537 Ca 0.13 -0.99 -0.26 0.00 -1.18 0.00 0.00 61.69 59.39 3hky s THR 537 Cb -0.16 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 69.97 3hky s THR 537 CO 0.11 -0.24 1.27 -2.65 -0.54 0.00 0.00 174.62 172.57 3hky n PRO 538 N -1.54 1.94 -2.99 3.99 -0.02 -1.26 -4.94 135.00 130.19 3hky n PRO 538 Ca -0.04 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3hky n PRO 538 Cb 0.58 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3hky n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hky s ILE 539 N -1.19 4.92 0.22 4.25 1.01 -1.26 -4.97 121.20 124.19 3hky s ILE 539 Ca 0.60 1.41 -0.07 0.00 0.00 0.00 0.00 60.65 62.59 3hky s ILE 539 Cb -0.51 -4.05 0.17 0.00 0.01 0.00 0.00 42.46 38.08 3hky s ILE 539 CO 0.58 0.02 1.77 -0.65 0.00 0.00 0.00 174.94 176.66 3hky h PRO 540 N 7.58 0.55 -0.02 2.79 0.11 -2.03 -0.37 132.00 140.61 3hky h PRO 540 Ca -0.27 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.81 3hky h PRO 540 Cb 1.12 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hky h PRO 540 CO 0.82 0.36 0.05 0.00 -0.21 0.00 0.00 178.00 179.02 3hky h ALA 541 N 1.42 1.26 -0.13 -0.75 0.00 -2.00 -3.06 119.26 116.00 3hky h ALA 541 Ca 0.34 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hky h ALA 541 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hky h ALA 541 CO -0.27 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 178.99 3hky h ALA 542 N 1.92 0.17 0.00 0.00 0.00 -1.35 -2.53 119.26 117.47 3hky h ALA 542 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hky h ALA 542 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hky h ALA 542 CO -0.00 -0.28 -0.11 0.66 0.00 0.00 0.00 179.25 179.53 3hky h SER 543 N 0.10 0.00 1.27 0.00 4.64 -1.66 -2.73 113.55 115.18 3hky h SER 543 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hky h SER 543 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hky h SER 543 CO -0.01 0.11 -0.04 0.00 -0.87 0.00 0.00 176.83 176.03 3hky n GLN 544 N -4.06 0.17 -1.96 4.77 1.13 -0.98 -4.91 117.38 111.55 3hky n GLN 544 Ca -0.02 0.13 -0.41 0.00 -1.94 0.00 0.00 57.00 54.76 3hky n GLN 544 Cb 0.19 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 28.84 3hky n GLN 544 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hky s LEU 545 N -3.97 4.37 -0.67 1.08 1.43 -1.03 -4.98 118.68 114.92 3hky s LEU 545 Ca 0.12 2.83 -0.16 0.00 -1.03 0.00 0.00 54.13 55.89 3hky s LEU 545 Cb 0.15 -3.65 0.16 0.00 0.03 0.00 0.00 46.19 42.88 3hky s LEU 545 CO 0.58 -0.72 0.65 -0.62 0.23 0.00 0.00 176.35 176.47 3hky s ASP 546 N -0.10 6.42 -0.27 2.29 -1.08 -1.26 -4.86 116.67 117.80 3hky s ASP 546 Ca 0.54 -2.10 0.12 0.00 -0.52 0.00 0.00 52.55 50.59 3hky s ASP 546 Cb -0.43 -2.23 0.63 0.00 -1.46 0.00 0.00 42.92 39.43 3hky s ASP 546 CO 0.54 -0.79 1.62 0.18 0.52 0.00 0.00 175.17 177.23 3hky n LEU 547 N 4.95 4.99 -0.33 -1.34 4.77 -1.26 -4.78 117.00 123.99 3hky n LEU 547 Ca -0.02 -3.29 0.05 0.00 -0.03 0.00 0.00 56.01 52.72 3hky n LEU 547 Cb 0.43 -0.66 0.20 0.00 -2.33 0.00 0.00 43.42 41.06 3hky n LEU 547 CO 0.47 0.87 1.20 0.77 -1.33 0.00 0.00 177.39 179.37 3hky h SER 548 N 1.99 0.84 -0.70 -1.43 4.64 -2.02 -1.51 113.55 115.37 3hky h SER 548 Ca 0.18 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hky h SER 548 Cb 1.92 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3hky h SER 548 CO 0.51 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3hky n GLY 549 N -1.34 2.30 0.19 -0.77 0.00 -1.26 -4.62 105.19 99.69 3hky n GLY 549 Ca 0.16 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 3hky n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hky h TRP 550 N 4.10 0.89 -2.14 1.61 4.06 -1.64 -3.38 115.95 119.45 3hky h TRP 550 Ca 0.00 -0.46 -0.54 0.00 2.06 0.00 0.00 58.89 59.95 3hky h TRP 550 Cb 0.96 -0.11 -0.41 0.00 -1.00 0.00 0.00 29.16 28.60 3hky h TRP 550 CO 0.48 1.29 -0.90 1.19 -3.56 0.00 0.00 178.44 176.93 3hky n PHE 551 N -3.83 2.06 -0.02 0.49 3.72 -1.26 -4.78 117.46 113.83 3hky n PHE 551 Ca -0.09 -3.90 -0.04 0.00 -0.05 0.00 0.00 57.45 53.37 3hky n PHE 551 Cb 0.83 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 3hky n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hky n VAL 552 N 0.22 0.27 -3.72 -4.37 0.31 -1.14 -4.19 118.33 105.71 3hky n VAL 552 Ca 0.28 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3hky n VAL 552 Cb 0.51 -1.22 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 3hky n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hky s ALA 553 N -2.09 -0.88 0.15 3.52 0.00 -1.24 -4.24 121.76 116.98 3hky s ALA 553 Ca -0.07 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 3hky s ALA 553 Cb 0.02 0.82 -0.07 0.00 0.00 0.00 0.00 23.12 23.89 3hky s ALA 553 CO 0.09 -0.75 0.53 0.20 0.00 0.00 0.00 175.76 175.83 3hky s GLY 554 N -2.86 2.42 -0.01 0.00 0.00 -1.26 -4.93 107.32 100.67 3hky s GLY 554 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.64 3hky s GLY 554 CO -0.05 0.07 0.98 -1.72 0.00 0.00 0.00 173.10 172.38 3hky n TYR 555 N 0.69 0.00 -1.70 1.90 4.01 -0.42 -4.58 117.16 117.06 3hky n TYR 555 Ca -0.05 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.90 57.15 3hky n TYR 555 Cb 0.52 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 3hky n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hky n SER 556 N -0.16 3.95 0.00 7.72 2.88 -1.25 -1.05 113.62 125.71 3hky n SER 556 Ca 0.02 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 3hky n SER 556 Cb 0.67 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3hky n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hky n GLY 557 N 4.10 1.10 0.69 0.46 0.00 -1.26 -4.28 105.19 106.00 3hky n GLY 557 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3hky n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 558 N -2.00 0.43 2.71 -0.02 0.00 -0.21 -3.10 105.19 102.99 3hky n GLY 558 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 3hky n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hky n ASP 559 N 0.62 -2.45 -4.46 1.61 2.03 -1.26 -4.59 116.55 108.05 3hky n ASP 559 Ca 0.14 -0.42 -0.33 0.00 0.52 0.00 0.00 54.79 54.70 3hky n ASP 559 Cb 0.49 -3.67 -0.13 0.00 -0.72 0.00 0.00 41.12 37.10 3hky n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hky s ILE 560 N -3.24 3.47 -0.10 5.18 -1.09 -1.26 -4.41 121.20 119.75 3hky s ILE 560 Ca 0.06 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 3hky s ILE 560 Cb -0.02 -2.47 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 3hky s ILE 560 CO 0.50 0.53 -0.15 -0.47 -1.23 0.00 0.00 174.94 174.12 3hky s TYR 561 N 0.12 1.91 -0.15 3.97 5.04 -0.30 -0.95 117.35 126.98 3hky s TYR 561 Ca -0.04 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 53.68 3hky s TYR 561 Cb -0.14 -1.38 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 3hky s TYR 561 CO 0.04 -0.45 -0.02 -1.01 -1.34 0.00 0.00 175.55 172.76 3hky s HIS 562 N 0.96 3.06 -2.46 4.97 3.76 -0.51 -4.46 115.29 120.60 3hky s HIS 562 Ca -0.07 -0.20 0.28 0.00 -0.15 0.00 0.00 55.06 54.92 3hky s HIS 562 Cb -0.15 -1.95 1.11 0.00 1.11 0.00 0.00 32.58 32.70 3hky s HIS 562 CO -0.01 0.04 1.78 -1.13 -0.85 0.00 0.00 174.74 174.57