#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gol s MET 2 N 0.00 4.11 0.12 4.33 1.00 -1.26 -2.69 119.30 124.90 3gol s MET 2 Ca 0.00 1.15 -0.14 0.00 0.00 0.00 0.00 55.69 56.70 3gol s MET 2 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 34.83 32.63 3gol s MET 2 CO 0.00 -0.14 1.51 0.66 0.00 0.00 0.00 175.02 177.05 3gol h SER 3 N 1.72 0.76 -4.15 3.03 4.64 -1.41 -3.41 113.55 114.73 3gol h SER 3 Ca -0.49 -0.38 -0.21 0.00 -0.47 0.00 0.00 61.79 60.25 3gol h SER 3 Cb 1.19 -0.21 -0.26 0.00 -0.31 0.00 0.00 62.40 62.82 3gol h SER 3 CO 0.61 0.96 -0.69 -0.31 -0.87 0.00 0.00 176.83 176.53 3gol s TYR 4 N -4.73 0.07 0.00 4.77 2.02 -1.26 -1.52 117.35 116.69 3gol s TYR 4 Ca -0.13 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.48 3gol s TYR 4 Cb 0.10 -0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.57 3gol s TYR 4 CO 0.82 -0.07 -0.07 0.99 -1.57 0.00 0.00 175.55 175.64 3gol s THR 5 N -0.47 3.60 -0.05 -0.71 2.01 -0.53 -4.83 115.64 114.66 3gol s THR 5 Ca -0.05 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.22 3gol s THR 5 Cb -0.03 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3gol s THR 5 CO -0.00 0.40 -0.23 0.26 -0.69 0.00 0.00 174.62 174.35 3gol s TRP 6 N -0.98 2.25 -0.11 4.92 0.52 -1.26 0.67 118.94 124.95 3gol s TRP 6 Ca 0.17 -0.63 0.20 0.00 0.02 0.00 0.00 56.10 55.85 3gol s TRP 6 Cb -0.11 -1.48 0.40 0.00 -1.15 0.00 0.00 33.47 31.13 3gol s TRP 6 CO 0.07 -0.18 1.60 1.79 0.02 0.00 0.00 176.95 180.25 3gol h THR 7 N 5.02 0.60 0.00 2.01 1.35 -1.59 -3.47 112.91 116.83 3gol h THR 7 Ca -0.33 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3gol h THR 7 Cb 1.17 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 3gol h THR 7 CO 0.47 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 3gol n GLY 8 N 0.85 2.14 3.66 5.82 0.00 -1.26 -5.05 105.19 111.35 3gol n GLY 8 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3gol n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gol n ALA 9 N -0.43 0.75 -1.95 4.61 0.00 -1.26 -4.97 120.51 117.26 3gol n ALA 9 Ca 0.00 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 3gol n ALA 9 Cb 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.21 3gol n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gol s LEU 10 N -1.23 3.90 -0.31 0.00 1.02 -1.26 -4.94 118.68 115.86 3gol s LEU 10 Ca 0.63 1.49 -0.29 0.00 0.02 0.00 0.00 54.13 55.98 3gol s LEU 10 Cb -0.53 -4.35 0.00 0.00 0.02 0.00 0.00 46.19 41.34 3gol s LEU 10 CO 0.57 -0.37 1.28 -0.63 0.02 0.00 0.00 176.35 177.23 3gol s ILE 11 N -2.23 4.16 -0.03 -0.59 1.01 -1.26 -4.83 121.20 117.42 3gol s ILE 11 Ca 0.58 1.30 0.02 0.00 0.00 0.00 0.00 60.65 62.55 3gol s ILE 11 Cb -0.10 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3gol s ILE 11 CO 0.20 -0.51 -0.08 0.42 0.00 0.00 0.00 174.94 174.96 3gol s THR 12 N 4.38 3.56 0.00 2.92 -4.23 -1.26 -4.87 115.64 116.14 3gol s THR 12 Ca 0.55 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 3gol s THR 12 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3gol s THR 12 CO 0.23 0.51 0.00 -0.81 -0.54 0.00 0.00 174.62 174.01 3gol n PRO 13 N 1.95 1.68 0.00 3.99 -0.04 -1.26 -4.22 135.00 137.10 3gol n PRO 13 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3gol n PRO 13 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3gol n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gol n ALA 15 N -0.11 0.16 -1.78 0.00 0.00 -1.26 -5.10 120.51 112.43 3gol n ALA 15 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 3gol n ALA 15 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 3gol n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gol s ALA 16 N -2.10 3.12 -0.06 0.00 0.00 -1.26 -5.06 121.76 116.39 3gol s ALA 16 Ca 0.07 0.76 0.05 0.00 0.00 0.00 0.00 51.96 52.84 3gol s ALA 16 Cb -0.01 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3gol s ALA 16 CO 0.05 -0.26 -0.22 -1.21 0.00 0.00 0.00 175.76 174.12 3gol s GLU 17 N -2.37 2.61 -0.07 0.00 2.02 -1.26 -5.13 118.70 114.50 3gol s GLU 17 Ca 0.57 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.76 3gol s GLU 17 Cb -0.24 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 3gol s GLU 17 CO 0.30 0.42 -0.21 -1.21 0.02 0.00 0.00 175.26 174.58 3gol s GLU 18 N -0.24 2.73 -0.22 1.61 8.01 -1.26 -5.02 118.70 124.31 3gol s GLU 18 Ca -0.01 -0.83 -0.09 0.00 0.01 0.00 0.00 54.97 54.05 3gol s GLU 18 Cb -0.13 -2.29 -0.10 0.00 -4.31 0.00 0.00 34.13 27.30 3gol s GLU 18 CO 0.03 0.38 -0.27 -1.13 0.01 0.00 0.00 175.26 174.28 3gol n SER 19 N 2.99 1.70 -4.78 -0.19 3.41 -1.26 -4.49 113.62 110.99 3gol n SER 19 Ca -0.18 0.20 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 3gol n SER 19 Cb 0.52 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 3gol n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gol s LYS 20 N -2.40 4.52 0.33 4.33 1.02 -1.26 -0.77 119.74 125.51 3gol s LYS 20 Ca -0.30 1.32 -0.27 0.00 0.02 0.00 0.00 55.97 56.74 3gol s LYS 20 Cb 0.11 -2.72 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 3gol s LYS 20 CO 0.40 0.22 1.06 -1.17 -0.92 0.00 0.00 175.35 174.94 3gol s LEU 21 N -2.20 4.36 0.66 3.17 2.96 -1.24 -4.93 118.68 121.46 3gol s LEU 21 Ca 0.52 2.12 -0.11 0.00 -0.22 0.00 0.00 54.13 56.44 3gol s LEU 21 Cb -0.18 -3.90 -0.01 0.00 0.50 0.00 0.00 46.19 42.60 3gol s LEU 21 CO 0.23 -0.28 1.05 -2.84 -1.32 0.00 0.00 176.35 173.19 3gol s PRO 22 N -1.94 3.21 -0.84 0.98 0.02 -1.26 -4.92 135.00 130.25 3gol s PRO 22 Ca 0.51 0.74 -0.14 0.00 0.02 0.00 0.00 61.00 62.13 3gol s PRO 22 Cb -0.26 -2.04 0.22 0.00 0.02 0.00 0.00 34.50 32.44 3gol s PRO 22 CO 0.33 -0.85 0.78 -1.50 -0.33 0.00 0.00 177.00 175.44 3gol s ILE 23 N -3.18 5.59 -0.06 2.83 2.07 -1.26 -4.92 121.20 122.27 3gol s ILE 23 Ca 0.57 -2.54 0.03 0.00 -1.41 0.00 0.00 60.65 57.30 3gol s ILE 23 Cb -0.12 -4.45 -0.02 0.00 0.13 0.00 0.00 42.46 37.99 3gol s ILE 23 CO 0.54 -1.03 -0.14 0.21 -1.91 0.00 0.00 174.94 172.61 3gol s ASN 24 N 2.08 4.04 0.19 4.50 2.47 -1.26 -5.03 114.94 121.92 3gol s ASN 24 Ca 0.19 -0.21 -0.12 0.00 0.42 0.00 0.00 52.86 53.14 3gol s ASN 24 Cb -0.10 -0.96 0.18 0.00 -1.45 0.00 0.00 41.25 38.92 3gol s ASN 24 CO -0.09 0.32 1.78 -0.65 -3.72 0.00 0.00 177.10 174.74 3gol h PRO 25 N 5.53 0.49 0.39 0.43 0.11 -1.98 0.14 132.00 137.10 3gol h PRO 25 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3gol h PRO 25 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gol h PRO 25 CO 0.51 0.32 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.37 3gol h LEU 26 N 0.51 -0.44 -1.35 2.35 3.38 -1.96 -2.76 115.31 115.04 3gol h LEU 26 Ca 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3gol h LEU 26 Cb 0.20 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3gol h LEU 26 CO -0.19 -0.14 -0.08 0.77 0.09 0.00 0.00 178.44 178.89 3gol h SER 27 N -0.76 0.31 -0.25 -0.43 4.64 -1.85 -2.65 113.55 112.56 3gol h SER 27 Ca -0.05 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3gol h SER 27 Cb 0.52 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3gol h SER 27 CO 0.09 0.44 0.11 -1.13 -0.87 0.00 0.00 176.83 175.47 3gol h ASN 28 N 0.32 0.39 0.55 4.97 -1.24 -0.70 0.16 115.58 120.03 3gol h ASN 28 Ca 0.07 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3gol h ASN 28 Cb 0.35 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3gol h ASN 28 CO 0.02 0.37 0.00 -1.54 -1.29 0.00 0.00 177.43 174.99 3gol n SER 29 N -4.40 0.00 -0.10 1.15 3.41 -1.00 -3.19 113.62 109.49 3gol n SER 29 Ca 0.01 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.63 3gol n SER 29 Cb 0.14 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 3gol n SER 29 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gol n LEU 30 N -1.36 1.69 -3.67 1.04 7.94 -0.18 -4.77 117.00 117.70 3gol n LEU 30 Ca 0.09 -0.01 -0.08 0.00 -1.11 0.00 0.00 56.01 54.90 3gol n LEU 30 Cb 0.21 -0.33 -0.09 0.00 0.53 0.00 0.00 43.42 43.74 3gol n LEU 30 CO 0.19 0.73 0.10 -0.22 -1.11 0.00 0.00 177.39 177.07 3gol s LEU 31 N -6.16 -0.59 -0.18 -1.96 0.20 0.38 -4.29 118.68 106.08 3gol s LEU 31 Ca -0.22 1.10 -0.16 0.00 0.69 0.00 0.00 54.13 55.53 3gol s LEU 31 Cb 0.08 1.58 -0.12 0.00 -0.43 0.00 0.00 46.19 47.29 3gol s LEU 31 CO 0.72 -0.22 0.05 0.03 -0.29 0.00 0.00 176.35 176.63 3gol h ARG 32 N 7.75 0.00 -5.44 1.98 -0.00 -1.40 -3.37 114.38 113.90 3gol h ARG 32 Ca -0.23 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 58.97 3gol h ARG 32 Cb 1.14 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.07 3gol h ARG 32 CO 0.17 0.56 0.88 -1.01 0.00 0.00 0.00 179.97 180.57 3gol s HIS 33 N -2.30 1.83 -0.30 3.04 3.76 -0.74 -4.67 115.29 115.91 3gol s HIS 33 Ca -0.22 0.76 0.20 0.00 -0.15 0.00 0.00 55.06 55.65 3gol s HIS 33 Cb 0.04 -3.90 0.16 0.00 1.11 0.00 0.00 32.58 29.99 3gol s HIS 33 CO 0.43 -1.19 1.39 1.12 -0.85 0.00 0.00 174.74 175.64 3gol h HIS 34 N 10.18 0.00 0.00 1.40 2.07 -1.86 -2.95 115.15 123.99 3gol h HIS 34 Ca 0.17 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.65 3gol h HIS 34 Cb 0.95 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.93 3gol h HIS 34 CO 1.18 0.19 -0.23 -0.91 -3.07 0.00 0.00 177.93 175.10 3gol h ASN 35 N 0.00 0.00 0.99 3.10 -0.26 -1.92 -3.04 115.58 114.46 3gol h ASN 35 Ca -0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 3gol h ASN 35 Cb 1.16 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.42 3gol h ASN 35 CO 0.02 0.23 -0.13 0.24 -1.06 0.00 0.00 177.43 176.73 3gol h MET 36 N 0.00 0.00 -5.72 0.81 2.86 -1.91 -3.43 114.93 107.54 3gol h MET 36 Ca -0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 3gol h MET 36 Cb 0.50 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.08 3gol h MET 36 CO 0.03 0.13 -0.22 0.08 1.06 0.00 0.00 176.91 177.99 3gol s VAL 37 N -3.65 5.19 0.10 -2.22 1.01 -1.15 -0.64 120.40 119.05 3gol s VAL 37 Ca 0.01 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3gol s VAL 37 Cb 0.10 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3gol s VAL 37 CO 0.60 0.41 0.06 -0.72 0.00 0.00 0.00 175.10 175.46 3gol s TYR 38 N 0.12 0.63 -0.10 5.22 1.13 -0.66 -3.66 117.35 120.03 3gol s TYR 38 Ca 0.22 -1.07 0.01 0.00 -1.41 0.00 0.00 57.07 54.82 3gol s TYR 38 Cb -0.15 -0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.33 3gol s TYR 38 CO 0.09 -0.50 -0.13 0.00 -2.51 0.00 0.00 175.55 172.50 3gol s ALA 39 N -3.98 2.64 0.64 9.51 0.00 0.05 -0.69 121.76 129.94 3gol s ALA 39 Ca 0.16 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 3gol s ALA 39 Cb 0.07 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3gol s ALA 39 CO -0.04 0.37 1.21 0.95 0.00 0.00 0.00 175.76 178.26 3gol s THR 40 N -0.08 2.52 0.29 0.00 -4.23 -0.58 -4.45 115.64 109.11 3gol s THR 40 Ca -0.02 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 3gol s THR 40 Cb -0.14 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 3gol s THR 40 CO 0.04 -0.10 0.35 0.42 -0.54 0.00 0.00 174.62 174.79 3gol s THR 41 N -1.74 0.00 0.64 3.99 -4.23 -1.26 -4.04 115.64 109.00 3gol s THR 41 Ca 0.76 -1.75 0.29 0.00 -1.18 0.00 0.00 61.69 59.81 3gol s THR 41 Cb -0.30 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.35 3gol s THR 41 CO 0.38 0.00 1.90 0.28 -0.54 0.00 0.00 174.62 176.63 3gol h SER 42 N 2.26 0.00 0.49 3.99 0.02 -1.91 -2.30 113.55 116.10 3gol h SER 42 Ca -0.29 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 3gol h SER 42 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3gol h SER 42 CO 0.41 0.00 -0.30 0.03 -1.14 0.00 0.00 176.83 175.83 3gol h ARG 43 N 0.00 0.00 -0.67 3.45 3.08 -1.97 -2.95 114.38 115.32 3gol h ARG 43 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3gol h ARG 43 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3gol h ARG 43 CO -0.00 0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 178.07 3gol n SER 44 N -3.84 3.83 -0.19 7.04 3.41 -0.86 -4.56 113.62 118.45 3gol n SER 44 Ca -0.01 -2.11 -0.08 0.00 -0.26 0.00 0.00 58.87 56.41 3gol n SER 44 Cb 0.38 -0.48 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3gol n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gol h ALA 45 N 4.19 0.71 0.00 7.33 0.00 -1.63 -2.47 119.26 127.39 3gol h ALA 45 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3gol h ALA 45 Cb 1.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gol h ALA 45 CO 0.06 0.31 -0.05 0.66 0.00 0.00 0.00 179.25 180.22 3gol h SER 46 N 0.74 0.00 -0.16 0.00 4.64 -1.82 -0.11 113.55 116.83 3gol h SER 46 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3gol h SER 46 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3gol h SER 46 CO -0.02 0.05 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.88 3gol h LEU 47 N 0.00 0.32 -1.01 5.97 4.07 -1.77 -3.04 115.31 119.86 3gol h LEU 47 Ca -0.00 -0.37 -0.08 0.00 0.08 0.00 0.00 57.88 57.51 3gol h LEU 47 Cb 0.18 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3gol h LEU 47 CO 0.01 0.62 -0.11 -0.09 -1.08 0.00 0.00 178.44 177.79 3gol h ARG 48 N 0.02 0.59 -0.55 1.13 9.65 -1.16 -2.70 114.38 121.36 3gol h ARG 48 Ca 0.04 -0.17 0.04 0.00 -1.10 0.00 0.00 59.98 58.79 3gol h ARG 48 Cb 0.48 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.96 3gol h ARG 48 CO 0.02 0.69 0.30 1.96 2.80 0.00 0.00 179.97 185.74 3gol h GLN 49 N 0.54 0.57 -0.40 0.20 4.20 -1.08 -0.52 115.11 118.62 3gol h GLN 49 Ca 0.10 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3gol h GLN 49 Cb 0.51 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3gol h GLN 49 CO 0.03 0.38 0.01 0.87 -0.67 0.00 0.00 178.83 179.44 3gol h LYS 50 N 0.58 0.64 -0.28 1.46 1.79 -1.38 -2.51 116.57 116.88 3gol h LYS 50 Ca 0.24 -0.15 -0.11 0.00 -2.18 0.00 0.00 60.65 58.45 3gol h LYS 50 Cb 0.11 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3gol h LYS 50 CO -0.14 0.66 -0.27 0.87 -1.08 0.00 0.00 179.45 179.48 3gol h LYS 51 N 0.61 0.56 -0.01 3.15 1.57 -0.99 -3.28 116.57 118.16 3gol h LYS 51 Ca 0.13 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gol h LYS 51 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3gol h LYS 51 CO 0.01 0.78 -0.42 1.55 -0.57 0.00 0.00 179.45 180.80 3gol n VAL 52 N -4.10 0.00 -3.70 0.50 3.14 -0.30 -4.78 118.33 109.09 3gol n VAL 52 Ca -0.00 -0.24 -0.38 0.00 -2.96 0.00 0.00 64.34 60.76 3gol n VAL 52 Cb 0.43 1.09 -0.12 0.00 -1.06 0.00 0.00 33.84 34.18 3gol n VAL 52 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3gol s THR 53 N -2.47 4.29 0.03 1.55 2.01 -0.96 -4.67 115.64 115.42 3gol s THR 53 Ca 0.20 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 3gol s THR 53 Cb 0.18 -3.21 0.09 0.00 0.01 0.00 0.00 72.50 69.58 3gol s THR 53 CO 0.56 0.06 0.84 0.72 -0.69 0.00 0.00 174.62 176.11 3gol s PHE 54 N 1.55 -0.37 0.61 4.92 -0.71 -1.26 -4.92 117.98 117.81 3gol s PHE 54 Ca 0.03 0.21 -0.14 0.00 -1.04 0.00 0.00 56.93 56.00 3gol s PHE 54 Cb -0.17 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 3gol s PHE 54 CO 0.04 -0.61 1.04 0.34 -1.34 0.00 0.00 175.22 174.69 3gol s ASP 55 N -2.55 5.87 -0.32 1.98 2.15 -1.26 -1.10 116.67 121.43 3gol s ASP 55 Ca 0.05 1.66 -0.01 0.00 0.43 0.00 0.00 52.55 54.67 3gol s ASP 55 Cb -0.01 -2.51 0.11 0.00 -0.30 0.00 0.00 42.92 40.21 3gol s ASP 55 CO -0.09 -1.11 0.14 -0.13 -0.17 0.00 0.00 175.17 173.81 3gol s ARG 56 N -4.53 0.60 0.38 4.34 3.00 -1.10 -4.91 118.95 116.74 3gol s ARG 56 Ca 0.60 -1.05 -0.25 0.00 0.00 0.00 0.00 55.73 55.03 3gol s ARG 56 Cb -0.14 -1.69 -0.09 0.00 0.00 0.00 0.00 34.95 33.03 3gol s ARG 56 CO 0.44 -1.05 1.07 -0.51 0.00 0.00 0.00 175.30 175.25 3gol s LEU 57 N 1.54 4.21 -0.14 2.53 2.01 -1.26 -4.63 118.68 122.95 3gol s LEU 57 Ca 0.12 2.10 -0.05 0.00 0.01 0.00 0.00 54.13 56.30 3gol s LEU 57 Cb -0.18 -4.08 0.07 0.00 0.01 0.00 0.00 46.19 42.00 3gol s LEU 57 CO -0.22 -0.45 0.29 -1.58 1.01 0.00 0.00 176.35 175.39 3gol s GLN 58 N -2.30 0.18 -0.17 1.70 0.74 -1.26 -3.93 119.66 114.61 3gol s GLN 58 Ca 0.56 0.79 0.01 0.00 0.05 0.00 0.00 55.36 56.77 3gol s GLN 58 Cb -0.24 0.02 0.02 0.00 1.10 0.00 0.00 33.01 33.91 3gol s GLN 58 CO 0.31 -0.28 -0.21 0.08 -0.55 0.00 0.00 175.29 174.64 3gol s VAL 59 N 2.43 2.06 0.03 1.34 1.01 0.19 -5.01 120.40 122.45 3gol s VAL 59 Ca 0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3gol s VAL 59 Cb -0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3gol s VAL 59 CO -0.09 0.54 0.21 -0.76 0.00 0.00 0.00 175.10 175.00 3gol s LEU 60 N 1.17 4.36 0.00 3.92 1.43 -1.26 -4.27 118.68 124.03 3gol s LEU 60 Ca 0.02 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3gol s LEU 60 Cb -0.14 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 3gol s LEU 60 CO -0.10 0.21 0.06 -0.90 0.23 0.00 0.00 176.35 175.85 3gol n ASP 61 N 0.64 1.63 0.10 2.29 5.75 -1.26 -5.04 116.55 120.66 3gol n ASP 61 Ca -0.08 -2.28 -0.04 0.00 -0.01 0.00 0.00 54.79 52.39 3gol n ASP 61 Cb 0.52 0.48 0.14 0.00 -1.03 0.00 0.00 41.12 41.23 3gol n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3gol h ASP 62 N 0.88 0.18 -0.50 -1.12 3.32 -1.99 -1.84 116.42 115.35 3gol h ASP 62 Ca -0.20 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.75 3gol h ASP 62 Cb 0.72 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3gol h ASP 62 CO 0.33 0.74 0.32 0.45 -1.72 0.00 0.00 179.24 179.37 3gol h HIS 63 N 0.12 0.61 -0.16 4.55 3.86 -1.97 -0.01 115.15 122.16 3gol h HIS 63 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3gol h HIS 63 Cb 1.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3gol h HIS 63 CO 0.01 0.38 0.05 -0.92 0.86 0.00 0.00 177.93 178.31 3gol h TYR 64 N 0.66 0.25 -1.00 2.45 5.03 -1.84 -1.81 116.97 120.72 3gol h TYR 64 Ca 0.18 -0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.60 3gol h TYR 64 Cb -0.06 -0.07 -0.09 0.00 1.55 0.00 0.00 36.73 38.06 3gol h TYR 64 CO -0.04 0.36 0.63 0.00 -1.32 0.00 0.00 178.16 177.78 3gol h ARG 65 N 0.07 0.91 0.06 1.82 3.08 -1.11 -2.57 114.38 116.64 3gol h ARG 65 Ca 0.05 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3gol h ARG 65 Cb 0.23 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 30.09 3gol h ARG 65 CO -0.00 0.60 -1.11 -0.44 -1.07 0.00 0.00 179.97 177.95 3gol h ASP 66 N 0.94 0.74 -0.31 7.04 3.32 -0.66 -2.91 116.42 124.58 3gol h ASP 66 Ca 0.51 -0.65 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3gol h ASP 66 Cb 0.58 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3gol h ASP 66 CO -0.28 1.46 0.12 0.58 -1.72 0.00 0.00 179.24 179.39 3gol h VAL 67 N 0.27 1.19 -0.76 -1.35 2.07 -1.26 -2.23 116.25 114.18 3gol h VAL 67 Ca -0.14 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 66.96 3gol h VAL 67 Cb 1.77 0.99 -0.14 0.00 -1.52 0.00 0.00 31.29 32.40 3gol h VAL 67 CO 0.21 0.20 -0.11 0.25 0.02 0.00 0.00 177.57 178.14 3gol h LEU 68 N 0.35 -0.55 -0.62 2.57 6.46 -1.49 0.11 115.31 122.14 3gol h LEU 68 Ca 0.10 0.21 -0.14 0.00 -0.12 0.00 0.00 57.88 57.94 3gol h LEU 68 Cb 0.20 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 3gol h LEU 68 CO -0.01 -0.23 -0.44 0.11 -0.62 0.00 0.00 178.44 177.26 3gol h LYS 69 N 0.04 0.59 -0.62 1.25 1.57 -1.28 0.44 116.57 118.56 3gol h LYS 69 Ca 0.39 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3gol h LYS 69 Cb 0.64 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3gol h LYS 69 CO -0.73 0.91 0.38 0.93 -0.57 0.00 0.00 179.45 180.37 3gol h GLU 70 N 0.48 0.84 0.35 3.15 5.08 -0.79 -2.55 114.58 121.13 3gol h GLU 70 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3gol h GLU 70 Cb 0.95 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3gol h GLU 70 CO 0.09 0.59 -0.17 0.52 -1.00 0.00 0.00 179.01 179.04 3gol h MET 71 N 0.84 -0.46 -0.94 2.33 2.86 -0.19 -2.61 114.93 116.76 3gol h MET 71 Ca 0.22 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.05 3gol h MET 71 Cb -0.04 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 3gol h MET 71 CO -0.04 -0.27 0.60 0.87 1.06 0.00 0.00 176.91 179.13 3gol h LYS 72 N -0.54 0.71 -0.40 1.72 1.57 -0.98 -1.49 116.57 117.16 3gol h LYS 72 Ca -0.05 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3gol h LYS 72 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3gol h LYS 72 CO 0.08 0.47 -0.22 0.00 -0.57 0.00 0.00 179.45 179.22 3gol h ALA 73 N 1.60 0.86 -0.13 3.86 0.00 -1.24 -1.91 119.26 122.31 3gol h ALA 73 Ca 0.49 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3gol h ALA 73 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gol h ALA 73 CO -0.25 0.63 -0.47 0.87 0.00 0.00 0.00 179.25 180.03 3gol h LYS 74 N 0.69 0.32 -0.33 0.00 1.57 -0.93 -3.25 116.57 114.65 3gol h LYS 74 Ca 0.10 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3gol h LYS 74 Cb 0.73 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3gol h LYS 74 CO 0.06 0.73 -0.09 0.00 -0.57 0.00 0.00 179.45 179.57 3gol h ALA 75 N 1.24 1.22 0.00 3.86 0.00 -0.58 -2.62 119.26 122.39 3gol h ALA 75 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gol h ALA 75 Cb 0.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gol h ALA 75 CO 0.08 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 3gol n SER 76 N -4.21 0.00 0.17 0.00 3.41 -0.84 -1.18 113.62 110.96 3gol n SER 76 Ca 0.01 -0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.51 3gol n SER 76 Cb 0.31 -0.17 0.15 0.00 -0.26 0.00 0.00 64.21 64.25 3gol n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gol h THR 77 N 0.00 0.68 -3.06 6.66 1.03 -1.61 -3.46 112.91 113.15 3gol h THR 77 Ca 0.00 -1.79 -0.60 0.00 -0.01 0.00 0.00 66.41 64.01 3gol h THR 77 Cb 0.08 2.20 -0.05 0.00 -1.07 0.00 0.00 68.15 69.32 3gol h THR 77 CO 0.00 0.36 -0.26 -0.69 -0.01 0.00 0.00 175.52 174.93 3gol s VAL 78 N -3.17 5.11 -0.19 0.00 1.01 -0.33 -5.04 120.40 117.79 3gol s VAL 78 Ca 0.03 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.52 3gol s VAL 78 Cb 0.08 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3gol s VAL 78 CO 0.71 0.35 -0.18 -0.75 0.00 0.00 0.00 175.10 175.23 3gol s LYS 79 N -1.73 2.84 0.50 2.72 2.20 -1.26 -2.55 119.74 122.46 3gol s LYS 79 Ca 0.30 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3gol s LYS 79 Cb -0.14 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.61 3gol s LYS 79 CO 0.17 -0.26 0.70 0.00 -0.36 0.00 0.00 175.35 175.59 3gol s ALA 80 N 1.28 4.06 -0.07 3.13 0.00 -0.60 -4.97 121.76 124.60 3gol s ALA 80 Ca 0.03 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 3gol s ALA 80 Cb -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.05 3gol s ALA 80 CO -0.12 -0.57 0.17 -1.59 0.00 0.00 0.00 175.76 173.65 3gol s LYS 81 N -4.62 0.18 0.28 0.00 -2.85 -1.26 -4.63 119.74 106.84 3gol s LYS 81 Ca 0.56 0.28 -0.30 0.00 -1.00 0.00 0.00 55.97 55.51 3gol s LYS 81 Cb -0.10 0.04 -0.10 0.00 -2.06 0.00 0.00 37.83 35.60 3gol s LYS 81 CO 0.37 -0.06 1.45 -0.51 0.10 0.00 0.00 175.35 176.70 3gol s LEU 82 N 0.35 4.38 0.36 2.77 1.02 -1.26 -4.48 118.68 121.82 3gol s LEU 82 Ca -0.02 2.76 -0.15 0.00 0.02 0.00 0.00 54.13 56.74 3gol s LEU 82 Cb -0.03 -3.63 -0.09 0.00 0.02 0.00 0.00 46.19 42.45 3gol s LEU 82 CO -0.01 -0.73 0.79 -0.76 0.02 0.00 0.00 176.35 175.65 3gol s LEU 83 N -0.79 3.98 0.70 1.79 1.02 -0.76 -5.06 118.68 119.55 3gol s LEU 83 Ca 0.58 1.33 -0.11 0.00 0.02 0.00 0.00 54.13 55.94 3gol s LEU 83 Cb -0.43 -4.16 0.01 0.00 0.02 0.00 0.00 46.19 41.63 3gol s LEU 83 CO 0.48 -0.29 1.09 -0.94 0.02 0.00 0.00 176.35 176.71 3gol s SER 84 N -2.47 5.48 0.14 2.29 1.04 -1.26 -4.78 113.70 114.14 3gol s SER 84 Ca 0.55 1.17 -0.18 0.00 0.48 0.00 0.00 55.95 57.97 3gol s SER 84 Cb -0.10 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 64.04 3gol s SER 84 CO 0.20 -1.33 1.74 0.40 0.98 0.00 0.00 173.24 175.24 3gol h ILE 85 N -0.64 0.89 -0.77 -1.02 2.04 -1.98 -0.39 117.51 115.64 3gol h ILE 85 Ca -0.45 -0.06 0.16 0.00 1.00 0.00 0.00 64.86 65.51 3gol h ILE 85 Cb 1.25 0.69 -0.11 0.00 -0.74 0.00 0.00 36.82 37.91 3gol h ILE 85 CO 0.63 0.03 0.26 -0.08 0.00 0.00 0.00 178.15 179.00 3gol h GLU 86 N 0.19 0.35 0.12 2.37 4.22 -1.98 0.31 114.58 120.15 3gol h GLU 86 Ca 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 3gol h GLU 86 Cb 0.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gol h GLU 86 CO -0.15 0.23 -0.06 0.93 -2.18 0.00 0.00 179.01 177.78 3gol h GLU 87 N 0.36 -0.15 -0.98 1.92 5.08 -1.64 -1.16 114.58 118.00 3gol h GLU 87 Ca 0.44 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 59.00 3gol h GLU 87 Cb 0.74 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 3gol h GLU 87 CO -0.47 0.26 0.61 0.00 -1.00 0.00 0.00 179.01 178.41 3gol h ALA 88 N 0.16 1.83 -0.16 3.43 0.00 -0.73 -1.96 119.26 121.82 3gol h ALA 88 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gol h ALA 88 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gol h ALA 88 CO 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.03 3gol n LYS 90 N -4.63 0.12 0.05 0.00 5.02 -0.45 -1.07 118.16 117.19 3gol n LYS 90 Ca -0.05 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 3gol n LYS 90 Cb 0.30 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.28 3gol n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gol n LEU 91 N -1.41 0.41 -4.69 -0.35 4.77 -0.80 -4.85 117.00 110.09 3gol n LEU 91 Ca 0.06 0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 56.08 3gol n LEU 91 Cb 0.19 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3gol n LEU 91 CO 0.16 -0.06 0.81 -0.89 -1.33 0.00 0.00 177.39 176.07 3gol s THR 92 N -3.05 4.75 0.47 -5.08 2.01 -0.24 -0.43 115.64 114.07 3gol s THR 92 Ca 0.12 2.02 -0.21 0.00 0.31 0.00 0.00 61.69 63.92 3gol s THR 92 Cb 0.16 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 3gol s THR 92 CO 0.59 -0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 173.42 3gol s PRO 93 N 2.09 3.81 0.42 4.92 0.04 -1.25 -4.83 135.00 140.20 3gol s PRO 93 Ca 0.49 1.51 0.29 0.00 0.04 0.00 0.00 61.00 63.32 3gol s PRO 93 Cb -0.18 -2.24 1.22 0.00 0.04 0.00 0.00 34.50 33.33 3gol s PRO 93 CO 0.17 -0.45 1.87 -1.00 0.04 0.00 0.00 177.00 177.63 3gol h PRO 94 N 1.82 0.00 -0.83 0.56 0.13 -1.95 -2.47 132.00 129.25 3gol h PRO 94 Ca -0.49 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 3gol h PRO 94 Cb 1.23 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 3gol h PRO 94 CO 0.60 0.00 0.35 0.72 -0.23 0.00 0.00 178.00 179.44 3gol n HIS 95 N -2.68 2.69 -1.76 1.56 8.25 -1.26 -4.44 115.22 117.58 3gol n HIS 95 Ca 0.01 -2.34 -0.32 0.00 -0.26 0.00 0.00 57.72 54.81 3gol n HIS 95 Cb 0.26 -0.96 0.03 0.00 1.12 0.00 0.00 29.99 30.44 3gol n HIS 95 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3gol s SER 96 N -2.14 5.54 0.21 0.41 0.01 -0.93 -4.99 113.70 111.80 3gol s SER 96 Ca 0.57 1.70 -0.32 0.00 1.31 0.00 0.00 55.95 59.21 3gol s SER 96 Cb 0.47 -2.51 -0.12 0.00 0.21 0.00 0.00 66.02 64.07 3gol s SER 96 CO 0.03 -1.33 1.70 0.00 0.41 0.00 0.00 173.24 174.04 3gol s ALA 97 N -2.81 3.91 0.95 1.44 0.00 -1.26 -4.50 121.76 119.49 3gol s ALA 97 Ca 0.60 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 54.01 3gol s ALA 97 Cb -0.15 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.45 3gol s ALA 97 CO 0.48 -0.91 1.10 -1.59 0.00 0.00 0.00 175.76 174.83 3gol s LYS 98 N 1.09 0.78 0.48 0.00 0.00 -1.26 -4.60 119.74 116.23 3gol s LYS 98 Ca 0.74 1.12 -0.18 0.00 0.00 0.00 0.00 55.97 57.65 3gol s LYS 98 Cb -0.49 -1.73 -0.09 0.00 0.00 0.00 0.00 37.83 35.52 3gol s LYS 98 CO 0.33 -2.66 0.97 0.45 0.00 0.00 0.00 175.35 174.44 3gol s SER 99 N -2.94 6.73 0.63 0.03 0.15 -0.84 -4.66 113.70 112.79 3gol s SER 99 Ca 0.65 1.63 0.33 0.00 0.70 0.00 0.00 55.95 59.26 3gol s SER 99 Cb -0.21 -2.52 1.86 0.00 -1.71 0.00 0.00 66.02 63.44 3gol s SER 99 CO 0.59 -0.51 2.14 0.11 1.20 0.00 0.00 173.24 176.77 3gol h LYS 100 N 1.32 0.00 -1.18 5.44 1.57 -1.95 -3.31 116.57 118.47 3gol h LYS 100 Ca -0.48 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.64 3gol h LYS 100 Cb 1.18 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.16 3gol h LYS 100 CO 0.61 0.00 0.39 1.19 -0.57 0.00 0.00 179.45 181.07 3gol n PHE 101 N -3.43 3.09 0.00 -1.35 3.72 -1.26 -4.97 117.46 113.26 3gol n PHE 101 Ca -0.01 -2.72 0.00 0.00 -0.05 0.00 0.00 57.45 54.67 3gol n PHE 101 Cb 0.26 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 3gol n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gol n GLY 102 N -0.76 0.74 3.26 1.37 0.00 -1.25 -5.02 105.19 103.53 3gol n GLY 102 Ca 0.55 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3gol n GLY 102 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gol n TYR 103 N 0.00 -2.63 -4.17 1.61 4.11 -1.26 -4.68 117.16 110.13 3gol n TYR 103 Ca 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 57.90 57.96 3gol n TYR 103 Cb 0.00 -1.64 -0.03 0.00 -0.00 0.00 0.00 39.34 37.67 3gol n TYR 103 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3gol n GLY 104 N 2.24 3.64 0.37 -7.48 0.00 -1.26 -1.98 105.19 100.71 3gol n GLY 104 Ca 0.03 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.28 3gol n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gol h ALA 105 N 1.38 1.83 -0.55 4.61 0.00 -1.83 -0.01 119.26 124.68 3gol h ALA 105 Ca -0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3gol h ALA 105 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gol h ALA 105 CO 0.18 -0.01 0.05 1.57 0.00 0.00 0.00 179.25 181.03 3gol h LYS 106 N 0.67 0.95 0.00 0.00 5.09 -1.91 -2.35 116.57 119.02 3gol h LYS 106 Ca 0.38 -0.28 -0.06 0.00 0.09 0.00 0.00 60.65 60.78 3gol h LYS 106 Cb 0.55 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 3gol h LYS 106 CO -0.15 0.93 -0.29 -0.44 -2.09 0.00 0.00 179.45 177.41 3gol h ASP 107 N 0.83 0.00 0.37 7.07 3.32 -1.44 -1.03 116.42 125.54 3gol h ASP 107 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3gol h ASP 107 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3gol h ASP 107 CO 0.02 0.29 -0.18 0.58 -1.72 0.00 0.00 179.24 178.23 3gol h VAL 108 N 0.00 0.28 -0.00 -1.35 2.07 -1.03 -1.14 116.25 115.08 3gol h VAL 108 Ca -0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3gol h VAL 108 Cb 0.62 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3gol h VAL 108 CO 0.04 0.06 0.00 0.03 0.02 0.00 0.00 177.57 177.72 3gol h ARG 109 N -1.05 0.00 -0.01 1.57 3.08 -1.31 0.07 114.38 116.73 3gol h ARG 109 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3gol h ARG 109 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3gol h ARG 109 CO 0.08 0.00 -0.03 0.09 -1.07 0.00 0.00 179.97 179.04 3gol n ASN 110 N -4.38 1.42 -2.22 7.04 3.02 -0.40 -4.84 115.26 114.90 3gol n ASN 110 Ca -0.03 -1.41 -0.21 0.00 -0.03 0.00 0.00 54.58 52.91 3gol n ASN 110 Cb 0.09 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3gol n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gol n LEU 111 N 0.05 -1.82 -4.40 3.41 4.77 0.01 -4.95 117.00 114.07 3gol n LEU 111 Ca 0.18 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 3gol n LEU 111 Cb 0.35 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 3gol n LEU 111 CO 0.18 -0.41 -0.10 -1.54 -1.33 0.00 0.00 177.39 174.19 3gol n SER 112 N -1.86 -1.55 -0.23 -1.43 3.41 -0.48 -4.74 113.62 106.74 3gol n SER 112 Ca -0.24 0.88 0.02 0.00 -0.26 0.00 0.00 58.87 59.28 3gol n SER 112 Cb 0.68 -1.03 0.26 0.00 -0.26 0.00 0.00 64.21 63.86 3gol n SER 112 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3gol h SER 113 N 0.64 0.84 0.69 4.04 0.02 -1.92 -2.90 113.55 114.96 3gol h SER 113 Ca -0.39 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 3gol h SER 113 Cb 1.42 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3gol h SER 113 CO 0.50 0.58 -0.50 -0.09 -1.14 0.00 0.00 176.83 176.18 3gol h ARG 114 N 0.98 -1.10 -0.42 3.45 9.65 -1.95 -2.13 114.38 122.86 3gol h ARG 114 Ca 0.31 0.08 0.06 0.00 -1.10 0.00 0.00 59.98 59.33 3gol h ARG 114 Cb 0.03 0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3gol h ARG 114 CO -0.09 -0.73 0.10 0.00 2.80 0.00 0.00 179.97 182.05 3gol h ALA 115 N -1.05 0.46 -0.40 2.80 0.00 -1.82 -1.42 119.26 117.84 3gol h ALA 115 Ca -0.09 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3gol h ALA 115 Cb 0.94 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3gol h ALA 115 CO 0.04 -0.30 -0.10 -0.39 0.00 0.00 0.00 179.25 178.50 3gol h VAL 116 N 0.24 1.25 -0.45 0.00 -1.51 -1.52 0.14 116.25 114.40 3gol h VAL 116 Ca 0.20 -1.10 -0.11 0.00 -1.23 0.00 0.00 66.70 64.46 3gol h VAL 116 Cb 0.23 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 3gol h VAL 116 CO -0.25 0.37 -0.15 0.78 -1.23 0.00 0.00 177.57 177.10 3gol h ASN 117 N 0.63 0.84 -0.07 4.19 4.21 -1.02 0.13 115.58 124.49 3gol h ASN 117 Ca 0.11 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.33 3gol h ASN 117 Cb 0.54 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3gol h ASN 117 CO 0.03 0.99 -0.04 -0.74 -1.29 0.00 0.00 177.43 176.38 3gol h HIS 118 N 0.75 0.17 -0.27 1.19 2.76 -0.62 -2.19 115.15 116.93 3gol h HIS 118 Ca 0.12 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3gol h HIS 118 Cb 0.66 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.51 3gol h HIS 118 CO 0.04 0.54 -0.19 0.82 -1.30 0.00 0.00 177.93 177.83 3gol h ILE 119 N -0.24 0.47 -0.80 6.26 2.04 -0.65 0.22 117.51 124.82 3gol h ILE 119 Ca 0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.03 3gol h ILE 119 Cb 0.49 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 3gol h ILE 119 CO 0.01 0.00 0.33 0.03 0.00 0.00 0.00 178.15 178.53 3gol h ARG 120 N -0.17 0.45 -0.39 2.37 3.08 -0.72 0.15 114.38 119.14 3gol h ARG 120 Ca 0.15 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 3gol h ARG 120 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3gol h ARG 120 CO -0.38 0.29 -0.33 0.66 -1.07 0.00 0.00 179.97 179.15 3gol h SER 121 N 0.46 0.92 -0.01 7.04 4.64 -0.61 0.38 113.55 126.37 3gol h SER 121 Ca 0.45 -0.39 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 3gol h SER 121 Cb 0.72 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3gol h SER 121 CO -0.43 1.16 -0.26 0.58 -0.87 0.00 0.00 176.83 177.02 3gol h VAL 122 N 0.73 1.26 -0.00 0.95 2.07 -0.22 0.54 116.25 121.57 3gol h VAL 122 Ca 0.07 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3gol h VAL 122 Cb 0.90 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3gol h VAL 122 CO 0.08 0.39 -0.00 -0.25 0.02 0.00 0.00 177.57 177.81 3gol h TRP 123 N 0.38 0.01 -0.67 1.57 2.91 -0.47 -1.98 115.95 117.69 3gol h TRP 123 Ca 0.06 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.15 3gol h TRP 123 Cb 0.65 -0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.24 3gol h TRP 123 CO 0.02 0.43 0.34 0.93 -1.03 0.00 0.00 178.44 179.13 3gol h GLU 124 N -0.42 0.58 -1.00 2.65 4.39 -0.72 -0.97 114.58 119.09 3gol h GLU 124 Ca 0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 3gol h GLU 124 Cb 0.43 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 3gol h GLU 124 CO 0.00 0.38 0.65 0.22 -1.16 0.00 0.00 179.01 179.10 3gol h ASP 125 N 0.60 1.06 0.71 1.42 1.82 -0.86 -2.66 116.42 118.50 3gol h ASP 125 Ca 0.32 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.90 3gol h ASP 125 Cb 0.30 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 3gol h ASP 125 CO -0.24 0.70 -0.30 -0.07 -1.61 0.00 0.00 179.24 177.72 3gol h LEU 126 N 1.21 0.00 0.00 2.28 4.07 -0.39 -0.76 115.31 121.73 3gol h LEU 126 Ca 0.41 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.29 3gol h LEU 126 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3gol h LEU 126 CO -0.15 0.30 -0.42 -0.07 -1.08 0.00 0.00 178.44 177.01 3gol h LEU 127 N 0.00 0.00 0.00 1.67 3.38 -1.17 -3.38 115.31 115.81 3gol h LEU 127 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gol h LEU 127 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3gol h LEU 127 CO 0.04 0.38 -0.94 -0.62 0.09 0.00 0.00 178.44 177.39 3gol n GLU 128 N -3.18 2.01 -4.40 1.13 1.02 -0.83 -4.95 120.64 111.44 3gol n GLU 128 Ca 0.02 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 3gol n GLU 128 Cb 0.69 -1.16 -0.17 0.00 -0.02 0.00 0.00 31.44 30.78 3gol n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gol s ASP 129 N -2.64 1.57 -0.00 1.62 -1.08 -0.35 -5.03 116.67 110.76 3gol s ASP 129 Ca 0.01 -0.25 0.14 0.00 -0.52 0.00 0.00 52.55 51.93 3gol s ASP 129 Cb 0.09 -0.72 -0.16 0.00 -1.46 0.00 0.00 42.92 40.67 3gol s ASP 129 CO 0.51 -0.01 0.54 0.41 0.52 0.00 0.00 175.17 177.14 3gol n THR 130 N 3.99 0.00 0.00 1.71 -1.04 -1.26 -4.72 114.28 112.96 3gol n THR 130 Ca -0.22 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3gol n THR 130 Cb 0.51 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.87 3gol n THR 130 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gol n GLU 131 N -1.45 1.07 -1.68 -2.82 1.02 -1.26 -4.60 120.64 110.91 3gol n GLU 131 Ca 0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 3gol n GLU 131 Cb 0.25 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.93 3gol n GLU 131 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gol s THR 132 N -1.41 3.05 0.46 2.62 2.01 -1.26 -4.80 115.64 116.30 3gol s THR 132 Ca 0.00 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 3gol s THR 132 Cb 0.00 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.38 3gol s THR 132 CO 0.00 -0.02 1.42 -2.84 -0.69 0.00 0.00 174.62 172.49 3gol s PRO 133 N 5.02 3.64 -0.16 4.92 0.02 -1.26 -4.74 135.00 142.44 3gol s PRO 133 Ca 0.91 2.39 -0.15 0.00 0.02 0.00 0.00 61.00 64.18 3gol s PRO 133 Cb -0.39 -2.62 -0.05 0.00 0.02 0.00 0.00 34.50 31.47 3gol s PRO 133 CO 0.39 -0.84 0.33 0.42 -0.33 0.00 0.00 177.00 176.96 3gol s ILE 134 N -1.21 5.28 0.41 2.83 1.01 -0.56 -4.98 121.20 123.98 3gol s ILE 134 Ca 0.62 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.64 3gol s ILE 134 Cb -0.43 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 3gol s ILE 134 CO 0.55 0.37 1.13 -0.62 0.00 0.00 0.00 174.94 176.37 3gol s ASP 135 N 0.56 6.55 0.15 3.58 2.15 -1.26 -4.45 116.67 123.95 3gol s ASP 135 Ca 0.18 2.26 0.07 0.00 0.43 0.00 0.00 52.55 55.49 3gol s ASP 135 Cb -0.13 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.84 3gol s ASP 135 CO 0.05 -0.65 -0.16 0.42 -0.17 0.00 0.00 175.17 174.66 3gol s THR 136 N -1.49 1.57 0.05 1.71 -4.23 -0.97 -4.37 115.64 107.91 3gol s THR 136 Ca 0.58 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 59.17 3gol s THR 136 Cb -0.28 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3gol s THR 136 CO 0.35 -0.40 0.31 -0.89 -0.54 0.00 0.00 174.62 173.46 3gol s THR 137 N -2.20 5.24 -0.17 3.99 2.01 0.30 -0.93 115.64 123.88 3gol s THR 137 Ca 0.13 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.32 3gol s THR 137 Cb -0.05 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.90 3gol s THR 137 CO 0.05 0.29 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.65 3gol s ILE 138 N -1.38 1.51 0.07 1.82 2.07 -0.13 -1.99 121.20 123.16 3gol s ILE 138 Ca 0.31 -0.78 0.08 0.00 -1.41 0.00 0.00 60.65 58.85 3gol s ILE 138 Cb -0.13 -1.53 -0.03 0.00 0.13 0.00 0.00 42.46 40.90 3gol s ILE 138 CO 0.18 0.28 -0.22 -0.04 -1.91 0.00 0.00 174.94 173.23 3gol s MET 139 N 1.48 1.38 0.78 3.50 -1.94 -0.94 -4.27 119.30 119.29 3gol s MET 139 Ca 0.02 -1.05 -0.11 0.00 -1.71 0.00 0.00 55.69 52.83 3gol s MET 139 Cb -0.15 -1.57 0.06 0.00 2.01 0.00 0.00 34.83 35.18 3gol s MET 139 CO -0.09 0.39 1.10 0.00 -0.01 0.00 0.00 175.02 176.41 3gol s ALA 140 N -0.91 2.18 -0.12 3.03 0.00 -1.26 -1.39 121.76 123.29 3gol s ALA 140 Ca 0.08 0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.38 3gol s ALA 140 Cb -0.09 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3gol s ALA 140 CO 0.03 -1.84 -0.11 0.21 0.00 0.00 0.00 175.76 174.05 3gol s LYS 141 N -4.79 3.24 -0.43 0.00 2.20 0.15 -4.73 119.74 115.38 3gol s LYS 141 Ca 0.62 -0.64 -0.19 0.00 -0.36 0.00 0.00 55.97 55.41 3gol s LYS 141 Cb -0.18 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 3gol s LYS 141 CO 0.55 0.34 0.56 0.45 -0.36 0.00 0.00 175.35 176.88 3gol s SER 142 N 0.05 6.28 0.01 1.43 0.15 -1.26 -4.22 113.70 116.14 3gol s SER 142 Ca -0.03 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.19 3gol s SER 142 Cb -0.14 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3gol s SER 142 CO 0.04 -0.69 -0.09 -1.61 1.20 0.00 0.00 173.24 172.08 3gol s GLU 143 N 2.55 0.69 0.26 5.44 2.02 -1.26 -4.89 118.70 123.51 3gol s GLU 143 Ca 0.19 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.68 3gol s GLU 143 Cb -0.15 -0.64 -0.07 0.00 0.10 0.00 0.00 34.13 33.37 3gol s GLU 143 CO 0.17 0.17 0.57 0.14 0.02 0.00 0.00 175.26 176.33 3gol s VAL 144 N -0.42 4.94 0.25 2.63 -7.23 -1.26 -1.52 120.40 117.79 3gol s VAL 144 Ca 0.01 0.38 -0.06 0.00 -1.81 0.00 0.00 61.98 60.50 3gol s VAL 144 Cb -0.05 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 3gol s VAL 144 CO -0.00 -0.17 0.35 -0.36 -0.31 0.00 0.00 175.10 174.61 3gol s PHE 145 N -1.93 0.80 0.01 2.82 0.08 0.13 -4.85 117.98 115.04 3gol s PHE 145 Ca 0.47 -1.08 0.02 0.00 0.12 0.00 0.00 56.93 56.46 3gol s PHE 145 Cb -0.11 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.16 3gol s PHE 145 CO 0.24 -0.90 0.00 0.00 -0.10 0.00 0.00 175.22 174.47 3gol s VAL 147 N -1.10 2.40 -0.11 0.00 -7.23 0.19 -4.98 120.40 109.56 3gol s VAL 147 Ca 0.20 0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.44 3gol s VAL 147 Cb -0.12 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3gol s VAL 147 CO 0.11 -0.17 0.11 -1.58 -0.31 0.00 0.00 175.10 173.26 3gol s GLN 148 N -4.81 3.36 -0.34 4.82 2.00 -1.26 -4.99 119.66 118.44 3gol s GLN 148 Ca 0.65 -0.19 -0.05 0.00 -2.00 0.00 0.00 55.36 53.77 3gol s GLN 148 Cb -0.20 -3.11 -0.15 0.00 0.80 0.00 0.00 33.01 30.35 3gol s GLN 148 CO 0.59 0.75 2.62 -0.35 -0.50 0.00 0.00 175.29 178.39 3gol n PRO 149 N 2.05 1.77 0.00 1.67 -0.04 -1.26 -4.86 135.00 134.34 3gol n PRO 149 Ca -0.20 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 3gol n PRO 149 Cb 0.55 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3gol n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gol n GLY 153 N 2.96 1.04 3.23 0.55 0.00 -1.26 -5.29 105.19 106.42 3gol n GLY 153 Ca 0.38 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3gol n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gol s ARG 154 N 1.45 0.37 0.24 1.61 3.52 -1.26 -4.79 118.95 120.09 3gol s ARG 154 Ca 0.00 0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 55.95 3gol s ARG 154 Cb 0.00 0.04 -0.09 0.00 -1.56 0.00 0.00 34.95 33.34 3gol s ARG 154 CO 0.00 -0.12 1.13 0.15 -0.81 0.00 0.00 175.30 175.65 3gol s LYS 155 N 0.97 4.58 0.51 5.12 1.02 -1.26 -5.03 119.74 125.65 3gol s LYS 155 Ca -0.06 1.82 -0.20 0.00 0.02 0.00 0.00 55.97 57.55 3gol s LYS 155 Cb -0.07 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 33.96 3gol s LYS 155 CO -0.08 0.10 1.06 -1.25 -0.92 0.00 0.00 175.35 174.27 3gol s PRO 156 N -0.97 3.64 0.39 -1.68 0.04 -1.26 -4.84 135.00 130.31 3gol s PRO 156 Ca 0.48 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 3gol s PRO 156 Cb -0.32 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.04 3gol s PRO 156 CO 0.39 -0.58 1.13 0.00 0.04 0.00 0.00 177.00 177.99 3gol n ALA 157 N -1.16 0.64 -1.84 8.56 0.00 -1.26 -4.93 120.51 120.51 3gol n ALA 157 Ca 0.10 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.52 3gol n ALA 157 Cb 0.52 -2.16 0.04 0.00 0.00 0.00 0.00 19.45 17.86 3gol n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gol s ARG 158 N -1.98 2.95 -0.15 0.00 0.52 -1.26 -4.69 118.95 114.33 3gol s ARG 158 Ca 0.61 0.55 0.01 0.00 -0.52 0.00 0.00 55.73 56.38 3gol s ARG 158 Cb -0.56 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 32.90 3gol s ARG 158 CO 0.58 -0.99 -0.19 -0.51 0.02 0.00 0.00 175.30 174.22 3gol s LEU 159 N -5.36 1.98 0.13 2.53 1.43 -1.26 0.31 118.68 118.44 3gol s LEU 159 Ca 0.58 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 3gol s LEU 159 Cb -0.11 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 3gol s LEU 159 CO 0.52 0.02 0.63 -0.51 0.23 0.00 0.00 176.35 177.25 3gol s ILE 160 N 1.13 4.65 -0.21 -0.59 1.10 -0.49 -4.83 121.20 121.96 3gol s ILE 160 Ca -0.01 1.26 -0.00 0.00 -0.51 0.00 0.00 60.65 61.39 3gol s ILE 160 Cb -0.14 -3.91 0.06 0.00 0.15 0.00 0.00 42.46 38.62 3gol s ILE 160 CO -0.07 0.43 -0.03 -0.69 -2.11 0.00 0.00 174.94 172.46 3gol s VAL 161 N -1.26 1.24 0.02 4.00 1.01 -1.26 -2.21 120.40 121.94 3gol s VAL 161 Ca 0.34 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3gol s VAL 161 Cb -0.19 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3gol s VAL 161 CO 0.21 -0.08 -0.09 0.72 0.00 0.00 0.00 175.10 175.85 3gol s PHE 162 N 1.54 0.78 0.91 5.22 -0.71 -0.84 -1.59 117.98 123.28 3gol s PHE 162 Ca -0.04 -0.30 -0.14 0.00 -1.04 0.00 0.00 56.93 55.41 3gol s PHE 162 Cb -0.18 -0.48 0.16 0.00 -1.21 0.00 0.00 43.02 41.32 3gol s PHE 162 CO -0.07 -0.02 1.27 -1.25 -1.34 0.00 0.00 175.22 173.81 3gol s PRO 163 N -0.88 1.04 0.68 1.99 0.04 -1.26 -0.54 135.00 136.07 3gol s PRO 163 Ca -0.02 -0.31 -0.15 0.00 0.04 0.00 0.00 61.00 60.56 3gol s PRO 163 Cb -0.06 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.59 3gol s PRO 163 CO 0.00 -2.15 1.15 0.34 0.04 0.00 0.00 177.00 176.38 3gol s ASP 164 N -4.80 4.82 0.26 6.66 2.15 -1.26 -4.73 116.67 119.76 3gol s ASP 164 Ca 0.70 2.15 -0.03 0.00 0.43 0.00 0.00 52.55 55.80 3gol s ASP 164 Cb -0.06 -2.57 0.52 0.00 -0.30 0.00 0.00 42.92 40.52 3gol s ASP 164 CO 0.51 -1.83 1.67 0.25 -0.17 0.00 0.00 175.17 175.60 3gol h LEU 165 N 0.01 -0.06 -1.22 -1.34 5.85 -1.83 -0.63 115.31 116.10 3gol h LEU 165 Ca -0.47 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3gol h LEU 165 Cb 1.27 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 3gol h LEU 165 CO 0.53 -0.09 0.55 1.23 -0.34 0.00 0.00 178.44 180.31 3gol h GLY 166 N 0.22 1.19 0.69 3.75 0.00 -1.95 -1.36 103.07 105.62 3gol h GLY 166 Ca 0.45 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3gol h GLY 166 CO -0.58 0.31 -0.09 -2.08 0.00 0.00 0.00 176.54 174.11 3gol h VAL 167 N 0.98 1.35 -0.94 4.60 2.07 -1.51 -2.92 116.25 119.87 3gol h VAL 167 Ca 0.35 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3gol h VAL 167 Cb 0.12 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3gol h VAL 167 CO -0.11 0.34 0.61 0.03 0.02 0.00 0.00 177.57 178.46 3gol h ARG 168 N -0.13 1.08 0.25 1.57 3.08 -0.61 -0.46 114.38 119.17 3gol h ARG 168 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3gol h ARG 168 Cb 0.59 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gol h ARG 168 CO 0.02 0.72 -0.14 0.28 -1.07 0.00 0.00 179.97 179.78 3gol h VAL 169 N 1.11 0.70 -0.96 2.04 2.07 -1.29 -2.87 116.25 117.05 3gol h VAL 169 Ca 0.40 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.07 3gol h VAL 169 Cb 0.13 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3gol h VAL 169 CO -0.14 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.06 3gol h GLU 171 N 0.79 0.41 -0.27 0.00 5.08 -0.97 -2.20 114.58 117.42 3gol h GLU 171 Ca 0.50 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 3gol h GLU 171 Cb 0.73 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3gol h GLU 171 CO -0.27 0.27 0.03 0.87 -1.00 0.00 0.00 179.01 178.92 3gol h LYS 172 N 0.43 0.45 -0.80 2.33 1.57 -0.72 0.14 116.57 119.96 3gol h LYS 172 Ca 0.33 -0.13 0.15 0.00 -1.87 0.00 0.00 60.65 59.14 3gol h LYS 172 Cb 0.43 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3gol h LYS 172 CO -0.33 0.58 0.53 0.52 -0.57 0.00 0.00 179.45 180.18 3gol h MET 173 N 0.26 0.48 0.00 3.15 2.86 -0.98 -0.61 114.93 120.09 3gol h MET 173 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3gol h MET 173 Cb 0.35 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3gol h MET 173 CO 0.01 0.32 -1.04 0.00 1.06 0.00 0.00 176.91 177.26 3gol n ALA 174 N -2.50 3.68 0.00 6.32 0.00 -0.87 -1.83 120.51 125.31 3gol n ALA 174 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3gol n ALA 174 Cb 0.52 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3gol n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gol n LEU 175 N -1.57 0.00 -0.13 0.00 4.77 0.47 -4.81 117.00 115.72 3gol n LEU 175 Ca 0.01 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 3gol n LEU 175 Cb 0.30 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3gol n LEU 175 CO 0.33 0.00 0.74 0.22 -1.33 0.00 0.00 177.39 177.35 3gol h TYR 176 N 0.00 -0.39 0.00 -1.77 3.20 -1.22 0.84 116.97 117.63 3gol h TYR 176 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3gol h TYR 176 Cb 0.00 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3gol h TYR 176 CO 0.00 -0.25 -0.26 0.22 -1.64 0.00 0.00 178.16 176.23 3gol h ASP 177 N -0.07 0.00 0.13 -2.11 3.58 -1.80 -0.22 116.42 115.93 3gol h ASP 177 Ca 0.21 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3gol h ASP 177 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3gol h ASP 177 CO -0.49 0.26 -0.06 0.58 -2.88 0.00 0.00 179.24 176.65 3gol h VAL 178 N 0.00 1.01 -0.13 2.25 2.07 -1.52 -3.13 116.25 116.81 3gol h VAL 178 Ca -0.00 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 3gol h VAL 178 Cb 0.57 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3gol h VAL 178 CO 0.03 0.25 -0.39 0.58 0.02 0.00 0.00 177.57 178.06 3gol h VAL 179 N -0.77 1.30 0.00 2.57 2.07 -0.66 0.14 116.25 120.90 3gol h VAL 179 Ca -0.02 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3gol h VAL 179 Cb 0.54 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3gol h VAL 179 CO 0.03 0.45 0.00 0.28 0.02 0.00 0.00 177.57 178.35 3gol h SER 180 N 0.23 0.00 0.00 0.57 0.02 -1.17 -3.41 113.55 109.79 3gol h SER 180 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3gol h SER 180 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3gol h SER 180 CO 0.06 0.00 -0.87 0.41 -1.14 0.00 0.00 176.83 175.29 3gol n THR 181 N -2.42 0.00 -0.05 -2.27 -1.04 -0.32 -4.66 114.28 103.52 3gol n THR 181 Ca 0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.88 3gol n THR 181 Cb 0.28 -0.55 -0.05 0.00 -1.82 0.00 0.00 70.33 68.19 3gol n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gol h LEU 182 N 0.00 0.95 -1.23 -4.42 6.46 -1.01 -3.00 115.31 113.06 3gol h LEU 182 Ca 0.00 -0.56 0.06 0.00 -0.12 0.00 0.00 57.88 57.26 3gol h LEU 182 Cb 0.87 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 3gol h LEU 182 CO 0.00 1.36 0.55 -0.65 -0.62 0.00 0.00 178.44 179.08 3gol h PRO 183 N 0.60 0.91 -0.23 5.25 0.11 -1.80 -1.69 132.00 135.16 3gol h PRO 183 Ca -0.02 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.84 3gol h PRO 183 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gol h PRO 183 CO 0.14 0.60 -0.63 0.37 -0.21 0.00 0.00 178.00 178.28 3gol h GLN 184 N 0.94 0.82 -0.15 1.05 5.75 -1.88 -1.93 115.11 119.72 3gol h GLN 184 Ca 0.36 -0.58 0.01 0.00 -0.15 0.00 0.00 58.65 58.29 3gol h GLN 184 Cb 0.22 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3gol h GLN 184 CO -0.13 1.21 0.10 0.00 -2.65 0.00 0.00 178.83 177.35 3gol h ALA 185 N 0.62 1.95 0.00 3.38 0.00 -1.33 0.69 119.26 124.56 3gol h ALA 185 Ca -0.01 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 3gol h ALA 185 Cb 1.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3gol h ALA 185 CO 0.13 0.04 -1.28 0.28 0.00 0.00 0.00 179.25 178.42 3gol h VAL 186 N 0.16 0.90 -0.03 0.00 2.07 -1.23 -3.40 116.25 114.72 3gol h VAL 186 Ca 0.06 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3gol h VAL 186 Cb 0.04 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3gol h VAL 186 CO -0.01 0.32 -0.10 0.23 0.02 0.00 0.00 177.57 178.03 3gol n MET 187 N -4.42 2.00 0.00 1.57 2.81 -0.73 -4.96 117.12 113.39 3gol n MET 187 Ca -0.32 -1.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.96 3gol n MET 187 Cb 0.69 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 3gol n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gol n GLY 188 N 1.35 3.29 0.00 3.03 0.00 0.23 -0.74 105.19 112.35 3gol n GLY 188 Ca 0.14 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3gol n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gol n SER 189 N 4.84 0.00 0.00 1.61 3.41 -1.26 -2.60 113.62 119.61 3gol n SER 189 Ca 0.00 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.10 3gol n SER 189 Cb 0.00 -0.43 0.62 0.00 -0.26 0.00 0.00 64.21 64.14 3gol n SER 189 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gol n SER 190 N -1.43 0.00 -4.56 4.04 7.64 0.09 -4.73 113.62 114.66 3gol n SER 190 Ca 0.05 0.47 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 3gol n SER 190 Cb 0.17 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 3gol n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gol s TYR 191 N -2.98 2.59 0.21 1.43 5.04 -1.07 -1.13 117.35 121.44 3gol s TYR 191 Ca 0.15 0.20 -0.15 0.00 -2.44 0.00 0.00 57.07 54.82 3gol s TYR 191 Cb 0.19 -4.44 0.23 0.00 0.35 0.00 0.00 41.96 38.30 3gol s TYR 191 CO 0.53 -1.63 1.61 0.78 -1.34 0.00 0.00 175.55 175.49 3gol h GLY 192 N 11.91 0.33 1.64 8.97 0.00 -1.36 -3.01 103.07 121.54 3gol h GLY 192 Ca -0.26 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3gol h GLY 192 CO 1.18 -0.25 0.00 0.69 0.00 0.00 0.00 176.54 178.16 3gol n PHE 193 N -5.46 0.00 0.27 5.60 3.72 -1.26 -2.06 117.46 118.27 3gol n PHE 193 Ca 0.08 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.64 3gol n PHE 193 Cb 0.36 -0.32 0.63 0.00 -0.94 0.00 0.00 39.48 39.21 3gol n PHE 193 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3gol h GLN 194 N 0.00 0.00 -5.79 -1.08 3.07 -1.63 -3.22 115.11 106.47 3gol h GLN 194 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 58.12 3gol h GLN 194 Cb 0.18 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.67 3gol h GLN 194 CO 0.00 0.00 -0.31 0.71 0.09 0.00 0.00 178.83 179.32 3gol s TYR 195 N -3.62 3.63 0.70 0.06 2.02 -0.88 -4.56 117.35 114.70 3gol s TYR 195 Ca 0.02 0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 57.37 3gol s TYR 195 Cb 0.08 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3gol s TYR 195 CO 0.56 0.58 1.08 -1.54 -1.57 0.00 0.00 175.55 174.66 3gol s SER 196 N -0.72 5.53 0.16 2.29 1.04 -1.26 -4.82 113.70 115.91 3gol s SER 196 Ca 0.20 1.21 -0.19 0.00 0.48 0.00 0.00 55.95 57.64 3gol s SER 196 Cb -0.14 -2.05 0.08 0.00 0.10 0.00 0.00 66.02 64.00 3gol s SER 196 CO 0.08 -1.30 1.65 -0.65 0.98 0.00 0.00 173.24 174.01 3gol h PRO 197 N -0.62 -0.09 -0.09 4.02 0.11 -1.90 0.22 132.00 133.64 3gol h PRO 197 Ca -0.45 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.71 3gol h PRO 197 Cb 1.24 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3gol h PRO 197 CO 0.63 -0.06 -0.40 -0.22 -0.21 0.00 0.00 178.00 177.74 3gol h LYS 198 N -0.10 -0.48 -0.91 1.05 3.64 -1.93 -1.70 116.57 116.13 3gol h LYS 198 Ca 0.18 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.75 3gol h LYS 198 Cb 0.37 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 3gol h LYS 198 CO -0.41 -0.32 0.51 1.96 -2.27 0.00 0.00 179.45 178.91 3gol h GLN 199 N -0.50 0.67 -0.71 1.90 4.20 -1.71 -0.95 115.11 118.02 3gol h GLN 199 Ca 0.07 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3gol h GLN 199 Cb 0.62 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3gol h GLN 199 CO -0.37 0.44 0.26 -0.09 -0.67 0.00 0.00 178.83 178.41 3gol h ARG 200 N 0.69 1.06 -0.12 1.46 2.43 0.26 -1.55 114.38 118.60 3gol h ARG 200 Ca 0.51 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 3gol h ARG 200 Cb 0.74 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3gol h ARG 200 CO -0.37 0.87 -0.12 0.28 -1.51 0.00 0.00 179.97 179.12 3gol h VAL 201 N 1.03 1.35 -0.71 0.20 2.07 -0.49 -0.88 116.25 118.82 3gol h VAL 201 Ca 0.24 -1.28 0.16 0.00 0.82 0.00 0.00 66.70 66.64 3gol h VAL 201 Cb 0.22 1.92 -0.12 0.00 -1.52 0.00 0.00 31.29 31.79 3gol h VAL 201 CO -0.02 0.37 -0.00 -0.33 0.02 0.00 0.00 177.57 177.61 3gol h GLU 202 N -0.09 0.10 -0.38 1.57 5.08 -1.04 0.22 114.58 120.06 3gol h GLU 202 Ca 0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3gol h GLU 202 Cb 0.64 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3gol h GLU 202 CO 0.03 0.07 0.01 0.35 -1.00 0.00 0.00 179.01 178.47 3gol h PHE 203 N 0.10 0.71 -0.24 4.33 3.57 -1.03 -0.64 116.94 123.74 3gol h PHE 203 Ca 0.38 -0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.60 3gol h PHE 203 Cb 0.65 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3gol h PHE 203 CO -0.41 0.73 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.83 3gol h LEU 204 N 0.48 0.74 -0.03 0.59 3.38 -0.29 -1.48 115.31 118.70 3gol h LEU 204 Ca 0.11 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3gol h LEU 204 Cb 0.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3gol h LEU 204 CO 0.02 1.12 -0.02 0.58 0.09 0.00 0.00 178.44 180.22 3gol h VAL 205 N 0.53 1.36 0.31 1.22 2.07 -0.58 -1.88 116.25 119.27 3gol h VAL 205 Ca 0.02 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3gol h VAL 205 Cb 1.06 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3gol h VAL 205 CO 0.10 0.30 -0.42 0.78 0.02 0.00 0.00 177.57 178.35 3gol h ASN 206 N -0.38 -1.18 -0.85 0.57 -0.26 -1.11 -0.82 115.58 111.55 3gol h ASN 206 Ca 0.01 0.10 0.12 0.00 -0.56 0.00 0.00 56.30 55.97 3gol h ASN 206 Cb 0.49 0.40 -0.14 0.00 -1.06 0.00 0.00 38.32 38.02 3gol h ASN 206 CO 0.01 -0.51 -0.41 0.74 -1.06 0.00 0.00 177.43 176.19 3gol h THR 207 N -0.75 0.05 0.04 2.81 2.02 -1.36 0.92 112.91 116.63 3gol h THR 207 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3gol h THR 207 Cb 0.68 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3gol h THR 207 CO -0.11 0.00 -0.03 -0.25 0.37 0.00 0.00 175.52 175.50 3gol h TRP 208 N -0.07 -0.09 0.00 3.16 2.91 -1.08 -2.12 115.95 118.67 3gol h TRP 208 Ca 0.27 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.29 3gol h TRP 208 Cb 0.56 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.24 3gol h TRP 208 CO -0.82 -0.06 0.00 0.87 -1.03 0.00 0.00 178.44 177.40 3gol h LYS 209 N -0.08 0.00 0.00 2.65 1.57 -0.47 -2.70 116.57 117.54 3gol h LYS 209 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3gol h LYS 209 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3gol h LYS 209 CO -0.01 0.00 -0.78 0.66 -0.57 0.00 0.00 179.45 178.75 3gol h SER 210 N 0.00 0.00 -3.38 0.86 4.64 -0.18 -3.45 113.55 112.04 3gol h SER 210 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3gol h SER 210 Cb 0.40 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.57 3gol h SER 210 CO 0.00 0.59 0.87 -0.54 -0.87 0.00 0.00 176.83 176.88 3gol s LYS 211 N -2.92 4.13 0.12 4.77 3.01 -1.01 -4.93 119.74 122.92 3gol s LYS 211 Ca 0.02 2.56 -0.18 0.00 -1.01 0.00 0.00 55.97 57.37 3gol s LYS 211 Cb 0.08 -3.02 -0.04 0.00 -1.01 0.00 0.00 37.83 33.84 3gol s LYS 211 CO 0.77 -0.61 1.69 0.87 0.51 0.00 0.00 175.35 178.57 3gol h LYS 212 N 4.70 0.45 -2.19 1.68 1.57 -1.88 -3.39 116.57 117.51 3gol h LYS 212 Ca -0.47 -0.07 -0.44 0.00 -1.87 0.00 0.00 60.65 57.79 3gol h LYS 212 Cb 1.22 -0.08 -0.34 0.00 0.08 0.00 0.00 32.23 33.11 3gol h LYS 212 CO 0.78 0.43 -0.74 0.00 -0.57 0.00 0.00 179.45 179.35 3gol s PRO 214 N 1.36 4.49 0.01 0.00 0.04 -1.26 0.07 135.00 139.71 3gol s PRO 214 Ca 0.17 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.15 3gol s PRO 214 Cb -0.18 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 3gol s PRO 214 CO -0.04 -0.09 -0.20 1.41 0.04 0.00 0.00 177.00 178.12 3gol s MET 215 N -0.25 1.50 0.04 4.56 1.75 0.54 -4.70 119.30 122.74 3gol s MET 215 Ca 0.53 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 54.19 3gol s MET 215 Cb -0.33 -1.51 -0.02 0.00 2.84 0.00 0.00 34.83 35.81 3gol s MET 215 CO 0.37 0.40 -0.07 0.20 -0.65 0.00 0.00 175.02 175.27 3gol s GLY 216 N -0.75 0.48 0.05 2.11 0.00 -0.44 -0.32 107.32 108.45 3gol s GLY 216 Ca 0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 3gol s GLY 216 CO 0.00 -0.85 0.25 -0.11 0.00 0.00 0.00 173.10 172.39 3gol s PHE 217 N -1.60 -0.01 0.10 1.90 -0.71 -0.40 -1.25 117.98 116.00 3gol s PHE 217 Ca -0.09 -0.20 0.04 0.00 -1.04 0.00 0.00 56.93 55.64 3gol s PHE 217 Cb -0.09 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 3gol s PHE 217 CO -0.00 -0.48 0.05 -1.54 -1.34 0.00 0.00 175.22 171.90 3gol s SER 218 N -2.19 5.28 -0.17 1.98 1.04 -1.26 -1.14 113.70 117.24 3gol s SER 218 Ca -0.04 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3gol s SER 218 Cb -0.00 -1.34 0.02 0.00 0.10 0.00 0.00 66.02 64.80 3gol s SER 218 CO -0.05 0.16 -0.19 -0.47 0.98 0.00 0.00 173.24 173.67 3gol s TYR 219 N -1.42 2.65 -0.19 5.02 6.14 -0.85 -4.43 117.35 124.27 3gol s TYR 219 Ca 0.28 -1.51 -0.04 0.00 0.64 0.00 0.00 57.07 56.43 3gol s TYR 219 Cb -0.12 -1.84 -0.02 0.00 0.42 0.00 0.00 41.96 40.40 3gol s TYR 219 CO 0.20 -0.74 -0.02 0.34 0.64 0.00 0.00 175.55 175.97 3gol s ASP 220 N 1.23 4.74 0.00 4.32 2.15 -1.26 -3.94 116.67 123.91 3gol s ASP 220 Ca 0.03 -0.21 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 3gol s ASP 220 Cb -0.13 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 3gol s ASP 220 CO -0.10 0.08 0.12 0.42 -0.17 0.00 0.00 175.17 175.52 3gol s THR 221 N 0.88 4.95 0.00 1.71 -4.23 -1.26 0.16 115.64 117.84 3gol s THR 221 Ca 0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 3gol s THR 221 Cb -0.14 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3gol s THR 221 CO 0.02 0.31 0.52 -1.14 -0.54 0.00 0.00 174.62 173.79 3gol n ARG 222 N 1.01 0.00 -3.76 3.99 0.63 0.27 -4.08 116.66 114.71 3gol n ARG 222 Ca -0.12 0.41 -0.30 0.00 -0.92 0.00 0.00 57.85 56.93 3gol n ARG 222 Cb 0.52 -1.02 -0.13 0.00 0.45 0.00 0.00 32.46 32.28 3gol n ARG 222 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gol h PHE 224 N 6.78 -0.19 -0.95 0.00 3.04 -1.96 0.79 116.94 124.44 3gol h PHE 224 Ca -0.03 0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3gol h PHE 224 Cb 0.93 0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.61 3gol h PHE 224 CO 0.48 -0.32 0.61 -0.44 -2.02 0.00 0.00 178.31 176.63 3gol h ASP 225 N 0.05 1.10 1.17 0.41 3.32 -1.94 -2.18 116.42 118.34 3gol h ASP 225 Ca 0.44 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.31 3gol h ASP 225 Cb 0.78 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3gol h ASP 225 CO -0.78 0.81 -0.71 0.28 -1.72 0.00 0.00 179.24 177.11 3gol h SER 226 N 1.29 0.00 1.37 6.45 0.02 -1.22 -2.16 113.55 119.30 3gol h SER 226 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3gol h SER 226 Cb -0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3gol h SER 226 CO -0.07 0.71 0.00 0.71 -1.14 0.00 0.00 176.83 177.04 3gol h THR 227 N 0.00 0.00 -2.48 -2.27 1.35 -0.83 -3.44 112.91 105.24 3gol h THR 227 Ca -0.01 -0.68 -0.56 0.00 -0.55 0.00 0.00 66.41 64.61 3gol h THR 227 Cb 1.49 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 69.57 3gol h THR 227 CO 0.09 0.00 1.32 -0.69 -0.25 0.00 0.00 175.52 175.99 3gol s VAL 228 N -3.50 3.41 0.82 6.82 1.01 -0.85 -4.80 120.40 123.31 3gol s VAL 228 Ca 0.03 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 3gol s VAL 228 Cb 0.08 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.93 3gol s VAL 228 CO 0.59 -0.44 1.18 0.42 0.00 0.00 0.00 175.10 176.85 3gol s THR 229 N 7.50 2.03 0.23 3.92 -4.23 -1.26 -3.81 115.64 120.02 3gol s THR 229 Ca 0.80 -0.03 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 3gol s THR 229 Cb -0.22 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.70 3gol s THR 229 CO 0.32 0.00 1.70 1.05 -0.54 0.00 0.00 174.62 177.15 3gol h GLU 230 N -1.08 0.00 -0.57 3.99 4.11 -1.84 -2.27 114.58 116.92 3gol h GLU 230 Ca -0.46 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.04 3gol h GLU 230 Cb 1.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 3gol h GLU 230 CO 0.62 0.46 0.25 1.03 0.07 0.00 0.00 179.01 181.45 3gol h SER 231 N 0.00 0.32 -0.87 3.06 0.87 -1.94 -0.42 113.55 114.57 3gol h SER 231 Ca -0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3gol h SER 231 Cb 0.94 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 3gol h SER 231 CO 0.06 0.21 0.50 0.44 -0.53 0.00 0.00 176.83 177.51 3gol h ASP 232 N 0.48 1.07 0.62 6.23 5.19 -1.78 -1.19 116.42 127.03 3gol h ASP 232 Ca 0.27 -0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.43 3gol h ASP 232 Cb 0.25 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 3gol h ASP 232 CO -0.23 0.84 -0.77 0.40 -3.12 0.00 0.00 179.24 176.35 3gol h ILE 233 N 1.21 1.50 -0.11 0.35 2.04 -1.28 -0.90 117.51 120.32 3gol h ILE 233 Ca 0.31 -2.49 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 3gol h ILE 233 Cb -0.02 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3gol h ILE 233 CO -0.05 0.72 -0.05 0.03 0.00 0.00 0.00 178.15 178.79 3gol h ARG 234 N 0.07 0.23 -0.99 2.37 3.08 -0.68 -2.32 114.38 116.15 3gol h ARG 234 Ca -0.02 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 60.05 3gol h ARG 234 Cb 1.36 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.32 3gol h ARG 234 CO 0.11 0.58 0.61 0.28 -1.07 0.00 0.00 179.97 180.48 3gol h VAL 235 N -0.12 0.90 -0.52 2.04 2.07 -1.03 0.96 116.25 120.55 3gol h VAL 235 Ca 0.02 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3gol h VAL 235 Cb 0.51 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3gol h VAL 235 CO 0.02 0.17 -0.02 -0.08 0.02 0.00 0.00 177.57 177.68 3gol h GLU 236 N 0.96 0.91 0.38 1.57 4.81 -1.18 -2.47 114.58 119.56 3gol h GLU 236 Ca 0.49 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3gol h GLU 236 Cb 0.51 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3gol h GLU 236 CO -0.27 0.92 -0.20 1.49 -0.73 0.00 0.00 179.01 180.22 3gol h GLU 237 N 0.83 -0.51 -0.71 1.92 4.81 -0.66 -2.81 114.58 117.45 3gol h GLU 237 Ca 0.15 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.60 3gol h GLU 237 Cb 0.53 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3gol h GLU 237 CO 0.03 -0.34 0.50 0.66 -0.73 0.00 0.00 179.01 179.12 3gol h SER 238 N -0.53 0.16 0.17 1.04 4.64 -0.57 0.11 113.55 118.57 3gol h SER 238 Ca -0.05 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3gol h SER 238 Cb 0.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3gol h SER 238 CO 0.07 0.08 -0.08 0.40 -0.87 0.00 0.00 176.83 176.43 3gol h ILE 239 N 0.17 0.95 -0.98 0.95 2.04 -1.38 -3.08 117.51 116.17 3gol h ILE 239 Ca 0.35 -0.72 0.21 0.00 1.00 0.00 0.00 64.86 65.69 3gol h ILE 239 Cb 1.13 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.49 3gol h ILE 239 CO -0.06 0.16 0.62 1.88 0.00 0.00 0.00 178.15 180.75 3gol h TYR 240 N -0.59 0.86 0.00 1.37 0.05 -0.60 -0.26 116.97 117.79 3gol h TYR 240 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3gol h TYR 240 Cb 0.44 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3gol h TYR 240 CO 0.04 0.18 0.00 1.04 -1.05 0.00 0.00 178.16 178.37 3gol n GLN 241 N -4.67 0.31 0.01 4.88 1.13 -0.21 -2.11 117.38 116.72 3gol n GLN 241 Ca 0.23 0.09 0.14 0.00 -1.94 0.00 0.00 57.00 55.51 3gol n GLN 241 Cb 0.66 -1.50 0.59 0.00 0.11 0.00 0.00 30.24 30.10 3gol n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gol s ASP 244 N -2.14 6.56 -0.02 0.00 2.15 -1.06 -4.94 116.67 117.22 3gol s ASP 244 Ca 0.63 2.46 0.02 0.00 0.43 0.00 0.00 52.55 56.09 3gol s ASP 244 Cb -0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3gol s ASP 244 CO 0.14 -0.99 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.31 3gol s LEU 245 N 4.21 1.85 0.63 -1.34 1.43 -1.26 -1.55 118.68 122.65 3gol s LEU 245 Ca 0.81 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 3gol s LEU 245 Cb -0.38 -0.48 -0.11 0.00 0.03 0.00 0.00 46.19 45.25 3gol s LEU 245 CO 0.35 0.07 0.07 0.00 0.23 0.00 0.00 176.35 177.08 3gol n ALA 246 N 3.18 -2.62 0.07 4.21 0.00 -1.26 -4.68 120.51 119.40 3gol n ALA 246 Ca -0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 3gol n ALA 246 Cb 0.55 -1.56 0.23 0.00 0.00 0.00 0.00 19.45 18.67 3gol n ALA 246 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gol h PRO 247 N -0.16 0.33 -0.53 0.00 0.13 -2.00 -1.78 132.00 127.98 3gol h PRO 247 Ca -0.43 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 3gol h PRO 247 Cb 1.40 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 3gol h PRO 247 CO 0.41 0.62 0.22 0.93 -0.23 0.00 0.00 178.00 179.95 3gol h GLU 248 N 0.29 0.76 -0.07 0.86 5.08 -1.99 -2.00 114.58 117.51 3gol h GLU 248 Ca 0.04 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 3gol h GLU 248 Cb 0.71 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3gol h GLU 248 CO 0.05 0.62 -0.81 0.00 -1.00 0.00 0.00 179.01 177.88 3gol h ALA 249 N 1.49 0.45 -0.27 3.43 0.00 -1.80 -0.03 119.26 122.53 3gol h ALA 249 Ca 0.18 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3gol h ALA 249 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gol h ALA 249 CO -0.02 0.75 0.06 -0.09 0.00 0.00 0.00 179.25 179.95 3gol h ARG 250 N 0.33 0.44 -0.42 0.00 2.43 -1.20 0.24 114.38 116.19 3gol h ARG 250 Ca -0.05 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 3gol h ARG 250 Cb 1.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3gol h ARG 250 CO 0.15 0.55 -0.07 0.37 -1.51 0.00 0.00 179.97 179.46 3gol h GLN 251 N 0.27 0.73 -0.00 0.20 5.75 -1.38 -1.47 115.11 119.21 3gol h GLN 251 Ca 0.08 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3gol h GLN 251 Cb 0.31 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 3gol h GLN 251 CO 0.00 0.79 -0.00 0.00 -2.65 0.00 0.00 178.83 176.97 3gol h ALA 252 N 1.25 0.00 -0.91 3.38 0.00 -0.65 -1.25 119.26 121.09 3gol h ALA 252 Ca 0.12 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3gol h ALA 252 Cb 0.51 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3gol h ALA 252 CO 0.03 -0.33 0.58 0.82 0.00 0.00 0.00 179.25 180.35 3gol h ILE 253 N -0.33 0.82 -0.31 0.00 2.04 -0.45 0.21 117.51 119.48 3gol h ILE 253 Ca 0.00 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 3gol h ILE 253 Cb 0.34 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3gol h ILE 253 CO 0.00 0.13 -0.22 -0.09 0.00 0.00 0.00 178.15 177.97 3gol h ARG 254 N 0.70 0.70 -0.08 2.37 9.65 -1.00 -1.86 114.38 124.85 3gol h ARG 254 Ca 0.46 -0.34 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3gol h ARG 254 Cb 0.75 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.32 3gol h ARG 254 CO -0.22 0.94 -0.09 0.77 2.80 0.00 0.00 179.97 184.17 3gol h SER 255 N 0.45 0.22 -0.98 -3.80 0.02 -0.74 -2.85 113.55 105.86 3gol h SER 255 Ca 0.06 -0.50 0.13 0.00 -0.84 0.00 0.00 61.79 60.64 3gol h SER 255 Cb 0.77 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 3gol h SER 255 CO 0.06 0.67 0.62 -0.07 -1.14 0.00 0.00 176.83 176.97 3gol h LEU 256 N -0.23 0.87 -0.00 5.07 3.38 -0.64 0.29 115.31 124.04 3gol h LEU 256 Ca 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gol h LEU 256 Cb 0.62 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gol h LEU 256 CO 0.02 0.44 0.00 0.74 0.09 0.00 0.00 178.44 179.74 3gol h THR 257 N 0.92 1.18 -0.45 0.22 2.02 -1.36 0.89 112.91 116.34 3gol h THR 257 Ca 0.50 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 3gol h THR 257 Cb 0.57 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3gol h THR 257 CO -0.26 0.14 0.04 -0.33 0.37 0.00 0.00 175.52 175.48 3gol h GLU 258 N -0.22 0.76 0.11 6.66 4.39 -1.22 -0.29 114.58 124.75 3gol h GLU 258 Ca 0.00 -0.22 -0.35 0.00 0.34 0.00 0.00 59.36 59.14 3gol h GLU 258 Cb 0.23 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3gol h GLU 258 CO 0.00 0.80 -1.89 0.00 -1.16 0.00 0.00 179.01 176.76 3gol h ARG 259 N 0.61 0.22 0.00 2.33 3.08 -0.49 -3.43 114.38 116.71 3gol h ARG 259 Ca 0.13 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3gol h ARG 259 Cb 0.43 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gol h ARG 259 CO 0.01 1.07 -0.35 -0.11 -1.07 0.00 0.00 179.97 179.53 3gol n LEU 260 N -3.40 1.33 0.14 3.04 7.94 0.12 -1.49 117.00 124.68 3gol n LEU 260 Ca -0.27 0.20 -0.01 0.00 -1.11 0.00 0.00 56.01 54.82 3gol n LEU 260 Cb 1.05 -0.47 0.20 0.00 0.53 0.00 0.00 43.42 44.73 3gol n LEU 260 CO 0.45 -0.57 0.54 1.88 -1.11 0.00 0.00 177.39 178.57 3gol h TYR 261 N -0.35 0.04 0.00 1.96 0.05 -0.90 -2.94 116.97 114.82 3gol h TYR 261 Ca 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3gol h TYR 261 Cb 0.35 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 3gol h TYR 261 CO -0.15 0.59 -0.09 0.97 -1.05 0.00 0.00 178.16 178.43 3gol h ILE 262 N 0.02 0.21 0.00 -2.88 2.10 -1.30 -3.43 117.51 112.23 3gol h ILE 262 Ca -0.01 -0.77 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3gol h ILE 262 Cb 1.01 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 3gol h ILE 262 CO 0.08 0.08 0.00 0.61 -1.08 0.00 0.00 178.15 177.84 3gol n GLY 263 N 0.13 -0.17 0.00 8.18 0.00 -1.11 -4.40 105.19 107.81 3gol n GLY 263 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3gol n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gol n GLY 264 N -1.38 1.96 3.77 -0.02 0.00 -0.02 -4.37 105.19 105.13 3gol n GLY 264 Ca 0.00 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 3gol n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gol s PRO 265 N -2.00 3.89 -0.11 1.61 0.04 -1.26 -1.04 135.00 136.13 3gol s PRO 265 Ca 0.00 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.05 3gol s PRO 265 Cb 0.00 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 3gol s PRO 265 CO 0.00 -0.51 -0.16 -0.51 0.04 0.00 0.00 177.00 175.86 3gol s LEU 266 N -2.64 2.56 0.10 -3.56 1.43 -0.92 -2.28 118.68 113.37 3gol s LEU 266 Ca 0.59 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.41 3gol s LEU 266 Cb -0.34 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3gol s LEU 266 CO 0.43 0.18 -0.18 -0.89 0.23 0.00 0.00 176.35 176.12 3gol s THR 267 N 0.24 2.83 0.72 5.49 2.01 -0.11 0.34 115.64 127.17 3gol s THR 267 Ca -0.11 -1.43 -0.00 0.00 0.31 0.00 0.00 61.69 60.46 3gol s THR 267 Cb -0.16 -2.27 0.13 0.00 0.01 0.00 0.00 72.50 70.21 3gol s THR 267 CO 0.06 0.16 0.99 0.54 -0.69 0.00 0.00 174.62 175.68 3gol s ASN 268 N -1.97 4.33 0.32 3.53 2.20 -0.90 -0.96 114.94 121.49 3gol s ASN 268 Ca 0.17 -0.42 0.11 0.00 -0.94 0.00 0.00 52.86 51.77 3gol s ASN 268 Cb -0.11 0.07 0.94 0.00 -2.00 0.00 0.00 41.25 40.15 3gol s ASN 268 CO 0.09 -1.88 1.71 -1.28 -2.94 0.00 0.00 177.10 172.80 3gol h SER 269 N -0.52 0.61 0.25 3.54 0.87 -1.74 -2.65 113.55 113.91 3gol h SER 269 Ca -0.35 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3gol h SER 269 Cb 1.27 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3gol h SER 269 CO 0.39 0.03 -0.10 0.29 -0.53 0.00 0.00 176.83 176.92 3gol n LYS 270 N -4.94 0.88 0.00 2.24 5.02 -1.26 -4.90 118.16 115.20 3gol n LYS 270 Ca 0.28 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3gol n LYS 270 Cb 0.81 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3gol n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gol n GLY 271 N 1.24 0.50 3.78 0.72 0.00 -1.00 -5.08 105.19 105.35 3gol n GLY 271 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3gol n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gol s GLN 272 N -0.78 4.32 0.22 1.61 -0.21 -1.26 -4.80 119.66 118.76 3gol s GLN 272 Ca 0.00 1.50 -0.31 0.00 0.02 0.00 0.00 55.36 56.57 3gol s GLN 272 Cb 0.00 -2.67 -0.11 0.00 1.00 0.00 0.00 33.01 31.22 3gol s GLN 272 CO 0.00 -0.00 1.65 1.21 -2.12 0.00 0.00 175.29 176.03 3gol s ASN 273 N -1.50 6.43 -0.04 5.90 3.04 -1.26 -2.12 114.94 125.38 3gol s ASN 273 Ca 0.55 2.84 0.03 0.00 0.04 0.00 0.00 52.86 56.31 3gol s ASN 273 Cb -0.22 -2.61 -0.05 0.00 -1.54 0.00 0.00 41.25 36.83 3gol s ASN 273 CO 0.28 -0.92 0.00 0.00 -3.04 0.00 0.00 177.10 173.42 3gol n GLY 275 N 2.85 -0.77 3.07 0.00 0.00 -1.18 -1.57 105.19 107.60 3gol n GLY 275 Ca -0.07 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 3gol n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gol s TYR 276 N -3.00 -0.01 -0.09 1.61 5.04 0.21 -2.18 117.35 118.94 3gol s TYR 276 Ca 0.00 0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 3gol s TYR 276 Cb 0.00 -0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 3gol s TYR 276 CO 0.00 -0.21 -0.10 0.50 -1.34 0.00 0.00 175.55 174.40 3gol s ARG 277 N -0.90 2.93 0.00 4.97 3.52 -0.20 -1.45 118.95 127.81 3gol s ARG 277 Ca -0.10 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 3gol s ARG 277 Cb -0.06 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 3gol s ARG 277 CO 0.01 0.50 0.71 0.54 -0.81 0.00 0.00 175.30 176.25 3gol n ARG 278 N 2.71 1.37 -0.57 5.12 1.74 -0.58 -0.84 116.66 125.60 3gol n ARG 278 Ca -0.18 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.95 3gol n ARG 278 Cb 0.53 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3gol n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gol s ARG 280 N 0.14 4.39 -0.03 0.00 3.52 -0.82 -4.49 118.95 121.65 3gol s ARG 280 Ca 0.00 2.17 -0.23 0.00 -0.13 0.00 0.00 55.73 57.54 3gol s ARG 280 Cb 0.00 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 3gol s ARG 280 CO 0.00 -0.15 0.69 0.00 -0.81 0.00 0.00 175.30 175.03 3gol s ALA 281 N -1.10 3.37 -1.16 6.12 0.00 -1.26 -4.79 121.76 122.94 3gol s ALA 281 Ca 0.49 0.14 0.28 0.00 0.00 0.00 0.00 51.96 52.87 3gol s ALA 281 Cb -0.39 -2.92 1.27 0.00 0.00 0.00 0.00 23.12 21.08 3gol s ALA 281 CO 0.51 -0.01 1.92 -1.13 0.00 0.00 0.00 175.76 177.05 3gol n SER 282 N 3.37 0.00 -2.26 0.00 3.41 -1.24 -4.02 113.62 112.87 3gol n SER 282 Ca -0.03 0.27 -0.20 0.00 -0.26 0.00 0.00 58.87 58.65 3gol n SER 282 Cb 0.51 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 3gol n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gol n GLY 283 N 1.26 5.39 3.53 5.00 0.00 -0.62 -4.32 105.19 115.43 3gol n GLY 283 Ca 0.09 -2.38 -0.25 0.00 0.00 0.00 0.00 46.02 43.49 3gol n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gol s VAL 284 N -4.59 1.83 0.03 1.61 -7.23 -1.15 -4.49 120.40 106.41 3gol s VAL 284 Ca 0.46 -2.07 0.24 0.00 -1.81 0.00 0.00 61.98 58.79 3gol s VAL 284 Cb 0.40 -2.78 0.24 0.00 0.56 0.00 0.00 36.38 34.80 3gol s VAL 284 CO -0.02 -0.10 1.77 0.25 -0.31 0.00 0.00 175.10 176.69 3gol h LEU 285 N 1.99 0.00 -2.46 1.32 5.85 -1.91 -2.91 115.31 117.18 3gol h LEU 285 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3gol h LEU 285 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3gol h LEU 285 CO 0.74 0.22 0.00 0.35 -0.34 0.00 0.00 178.44 179.41 3gol n THR 286 N -3.30 0.84 -0.04 1.05 -2.24 -1.26 -4.49 114.28 104.84 3gol n THR 286 Ca 0.01 -0.88 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 3gol n THR 286 Cb 0.47 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 69.15 3gol n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gol h THR 287 N 4.04 1.40 0.05 4.28 1.03 -1.79 -0.20 112.91 121.72 3gol h THR 287 Ca 0.00 -1.36 -0.00 0.00 -0.01 0.00 0.00 66.41 65.04 3gol h THR 287 Cb 0.92 2.13 0.00 0.00 -1.07 0.00 0.00 68.15 70.13 3gol h THR 287 CO 0.00 0.38 -0.03 -1.28 -0.01 0.00 0.00 175.52 174.58 3gol h SER 288 N -0.26 -0.06 -0.47 0.00 0.87 -1.79 -0.88 113.55 110.96 3gol h SER 288 Ca 0.01 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 3gol h SER 288 Cb 0.67 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3gol h SER 288 CO 0.03 0.12 -0.02 0.00 -0.53 0.00 0.00 176.83 176.42 3gol h GLY 290 N 0.69 0.66 0.87 0.00 0.00 -1.04 -1.62 103.07 102.63 3gol h GLY 290 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3gol h GLY 290 CO 0.03 0.33 -0.26 3.43 0.00 0.00 0.00 176.54 180.07 3gol h ASN 291 N 0.52 -0.62 -0.89 0.19 2.35 -0.98 0.67 115.58 116.82 3gol h ASN 291 Ca 0.14 -0.03 0.24 0.00 -0.55 0.00 0.00 56.30 56.10 3gol h ASN 291 Cb 0.18 0.16 -0.15 0.00 0.05 0.00 0.00 38.32 38.55 3gol h ASN 291 CO -0.01 -0.35 0.16 0.74 -1.65 0.00 0.00 177.43 176.32 3gol h THR 292 N -0.88 0.23 -0.02 2.81 2.02 -1.02 0.57 112.91 116.63 3gol h THR 292 Ca -0.07 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3gol h THR 292 Cb 0.62 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3gol h THR 292 CO 0.12 0.02 -0.01 -0.07 0.37 0.00 0.00 175.52 175.95 3gol h LEU 293 N 0.13 0.04 -0.75 2.58 3.38 -0.84 -1.41 115.31 118.44 3gol h LEU 293 Ca 0.56 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3gol h LEU 293 Cb 1.13 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 3gol h LEU 293 CO -0.73 0.51 0.39 0.74 0.09 0.00 0.00 178.44 179.44 3gol h THR 294 N -0.43 0.87 0.70 0.22 2.02 -0.14 -1.61 112.91 114.53 3gol h THR 294 Ca 0.00 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3gol h THR 294 Cb 0.49 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3gol h THR 294 CO 0.00 0.12 -0.33 0.00 0.37 0.00 0.00 175.52 175.68 3gol h TYR 296 N -1.21 0.42 -0.04 0.00 5.03 -1.20 0.19 116.97 120.16 3gol h TYR 296 Ca -0.10 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 3gol h TYR 296 Cb 0.73 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.98 3gol h TYR 296 CO 0.00 -0.32 -0.03 1.25 -1.32 0.00 0.00 178.16 177.74 3gol h LEU 297 N 0.13 0.09 -0.22 2.82 5.85 -1.12 -0.66 115.31 122.20 3gol h LEU 297 Ca 0.65 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3gol h LEU 297 Cb 1.45 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 3gol h LEU 297 CO -0.74 0.54 0.03 0.11 -0.34 0.00 0.00 178.44 178.03 3gol h LYS 298 N -0.36 0.38 -0.58 1.25 1.57 -0.70 -2.37 116.57 115.76 3gol h LYS 298 Ca 0.01 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3gol h LYS 298 Cb 0.51 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3gol h LYS 298 CO 0.01 0.53 0.28 0.00 -0.57 0.00 0.00 179.45 179.70 3gol h ALA 299 N 0.83 1.41 -0.16 3.86 0.00 -0.98 -0.39 119.26 123.84 3gol h ALA 299 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gol h ALA 299 Cb 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gol h ALA 299 CO 0.01 0.47 -0.22 1.15 0.00 0.00 0.00 179.25 180.65 3gol h THR 300 N 0.81 1.35 -0.44 0.00 2.02 -1.07 -1.04 112.91 114.55 3gol h THR 300 Ca 0.20 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 65.98 3gol h THR 300 Cb 0.08 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 3gol h THR 300 CO -0.03 0.43 0.21 0.00 0.37 0.00 0.00 175.52 176.51 3gol h ALA 301 N 0.59 0.55 -0.77 6.16 0.00 -1.21 -2.44 119.26 122.14 3gol h ALA 301 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gol h ALA 301 Cb 0.79 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3gol h ALA 301 CO 0.05 -0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.46 3gol h ALA 302 N 1.24 1.06 -0.84 0.00 0.00 -1.02 0.17 119.26 119.87 3gol h ALA 302 Ca 0.19 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3gol h ALA 302 Cb 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 3gol h ALA 302 CO -0.14 0.66 0.48 0.00 0.00 0.00 0.00 179.25 180.25 3gol h ARG 304 N 0.80 0.16 -0.56 0.00 3.08 -0.90 -1.79 114.38 115.17 3gol h ARG 304 Ca 0.41 -0.10 0.11 0.00 0.07 0.00 0.00 59.98 60.48 3gol h ARG 304 Cb 0.39 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.35 3gol h ARG 304 CO -0.26 0.66 -0.07 0.00 -1.07 0.00 0.00 179.97 179.23 3gol h ALA 305 N 0.50 0.46 -0.00 0.04 0.00 -0.18 -0.30 119.26 119.77 3gol h ALA 305 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gol h ALA 305 Cb 0.65 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gol h ALA 305 CO 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3gol n ALA 306 N -2.85 2.65 -3.87 0.00 0.00 0.25 -4.91 120.51 111.78 3gol n ALA 306 Ca 0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3gol n ALA 306 Cb 0.31 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.38 3gol n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gol n LYS 307 N -0.88 -5.68 -2.43 0.00 5.02 -0.12 -4.88 118.16 109.19 3gol n LYS 307 Ca 0.19 0.62 -0.39 0.00 -2.02 0.00 0.00 58.31 56.71 3gol n LYS 307 Cb 0.09 -5.49 -0.03 0.00 -0.02 0.00 0.00 35.03 29.57 3gol n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gol s LEU 308 N -7.23 4.31 -0.10 -0.35 1.02 -0.80 -5.04 118.68 110.50 3gol s LEU 308 Ca 0.59 2.24 -0.07 0.00 0.02 0.00 0.00 54.13 56.91 3gol s LEU 308 Cb -0.29 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 41.96 3gol s LEU 308 CO 0.82 -0.43 0.16 -1.10 0.02 0.00 0.00 176.35 175.83 3gol s GLN 309 N -2.04 3.46 -0.98 1.70 -1.52 -1.26 -4.60 119.66 114.42 3gol s GLN 309 Ca 0.52 -0.13 -0.27 0.00 -1.95 0.00 0.00 55.36 53.53 3gol s GLN 309 Cb -0.29 -3.18 0.04 0.00 -0.22 0.00 0.00 33.01 29.36 3gol s GLN 309 CO 0.37 0.76 0.56 -0.25 -0.25 0.00 0.00 175.29 176.47 3gol n ASP 310 N 1.82 -3.44 -4.67 5.90 8.00 -1.26 -2.15 116.55 120.75 3gol n ASP 310 Ca -0.18 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 3gol n ASP 310 Cb 0.55 -1.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.31 3gol n ASP 310 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gol s THR 312 N 3.16 4.21 0.02 0.00 2.01 0.42 -4.98 115.64 120.49 3gol s THR 312 Ca 0.56 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 3gol s THR 312 Cb -0.23 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 3gol s THR 312 CO 0.17 0.56 0.01 0.00 -0.69 0.00 0.00 174.62 174.68 3gol s MET 313 N -0.46 0.38 -0.07 4.92 0.23 -1.26 0.10 119.30 123.14 3gol s MET 313 Ca 0.08 -0.62 0.02 0.00 -1.03 0.00 0.00 55.69 54.14 3gol s MET 313 Cb -0.12 0.14 0.02 0.00 -1.53 0.00 0.00 34.83 33.34 3gol s MET 313 CO 0.02 -0.07 -0.10 -1.17 -2.03 0.00 0.00 175.02 171.66 3gol s LEU 314 N -1.59 1.52 -0.11 0.18 2.96 -0.27 -4.40 118.68 116.96 3gol s LEU 314 Ca -0.14 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3gol s LEU 314 Cb -0.08 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.83 3gol s LEU 314 CO -0.01 -0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.15 3gol s VAL 315 N 0.91 1.64 -0.37 1.68 1.01 -0.29 -1.55 120.40 123.43 3gol s VAL 315 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3gol s VAL 315 Cb -0.15 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.86 3gol s VAL 315 CO 0.01 0.47 0.11 0.20 0.00 0.00 0.00 175.10 175.88 3gol s ASN 316 N 0.89 4.45 1.60 3.32 0.01 0.42 -1.01 114.94 124.61 3gol s ASN 316 Ca -0.08 -2.20 0.00 0.00 -0.71 0.00 0.00 52.86 49.87 3gol s ASN 316 Cb -0.15 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.09 3gol s ASN 316 CO -0.01 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 3gol n GLY 317 N 4.16 3.85 0.30 0.66 0.00 -1.26 -0.87 105.19 112.03 3gol n GLY 317 Ca 0.03 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3gol n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gol n ASP 318 N 6.95 0.93 -4.62 1.61 5.68 -1.26 -3.63 116.55 122.20 3gol n ASP 318 Ca 0.00 -1.40 -0.39 0.00 -0.50 0.00 0.00 54.79 52.50 3gol n ASP 318 Cb 0.00 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 3gol n ASP 318 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3gol s ASP 319 N -1.86 6.35 -0.04 -1.12 1.11 -0.05 -4.69 116.67 116.37 3gol s ASP 319 Ca 0.38 0.42 0.05 0.00 0.18 0.00 0.00 52.55 53.58 3gol s ASP 319 Cb 0.19 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.94 3gol s ASP 319 CO 0.31 -0.19 -0.19 -0.22 1.18 0.00 0.00 175.17 176.06 3gol s LEU 320 N 1.95 1.97 0.02 1.23 2.96 -1.25 -0.44 118.68 125.12 3gol s LEU 320 Ca 0.18 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3gol s LEU 320 Cb -0.15 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 3gol s LEU 320 CO 0.09 0.19 -0.08 0.54 -1.32 0.00 0.00 176.35 175.77 3gol s VAL 321 N -0.10 0.62 -0.02 1.68 0.11 -0.60 -2.01 120.40 120.08 3gol s VAL 321 Ca -0.02 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 3gol s VAL 321 Cb -0.11 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3gol s VAL 321 CO 0.02 -0.08 0.00 -0.69 -3.33 0.00 0.00 175.10 171.02 3gol s VAL 322 N -0.72 0.14 0.03 2.04 1.01 -0.29 -1.12 120.40 121.49 3gol s VAL 322 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.12 3gol s VAL 322 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 3gol s VAL 322 CO 0.00 0.12 -0.23 -0.63 0.00 0.00 0.00 175.10 174.37 3gol s ILE 323 N 0.88 1.82 0.16 2.22 1.01 0.12 -1.28 121.20 126.13 3gol s ILE 323 Ca -0.09 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 3gol s ILE 323 Cb -0.12 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.85 3gol s ILE 323 CO -0.02 0.31 0.87 0.00 0.00 0.00 0.00 174.94 176.10 3gol s GLU 325 N -2.04 3.99 0.56 0.00 0.41 -0.91 -0.34 118.70 120.35 3gol s GLU 325 Ca 0.19 1.25 -0.21 0.00 -0.41 0.00 0.00 54.97 55.79 3gol s GLU 325 Cb -0.02 -3.83 -0.04 0.00 -1.78 0.00 0.00 34.13 28.45 3gol s GLU 325 CO 0.05 -1.02 1.31 0.45 -0.49 0.00 0.00 175.26 175.56 3gol s SER 326 N 2.43 5.27 -0.05 -0.19 0.15 0.11 -4.61 113.70 116.79 3gol s SER 326 Ca 0.53 2.66 0.08 0.00 0.70 0.00 0.00 55.95 59.92 3gol s SER 326 Cb -0.16 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.65 3gol s SER 326 CO 0.20 -1.56 1.02 0.00 1.20 0.00 0.00 173.24 174.10 3gol n ALA 327 N -1.15 2.02 0.00 5.45 0.00 -1.26 -4.89 120.51 120.68 3gol n ALA 327 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.91 3gol n ALA 327 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3gol n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gol n GLY 328 N -0.80 2.56 0.05 0.00 0.00 -1.26 -4.71 105.19 101.03 3gol n GLY 328 Ca 0.07 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3gol n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gol h THR 329 N 0.00 1.01 0.18 2.61 1.35 -1.99 -0.79 112.91 115.28 3gol h THR 329 Ca 0.00 -0.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.84 3gol h THR 329 Cb 0.00 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 3gol h THR 329 CO 0.00 0.01 -0.29 1.56 -0.25 0.00 0.00 175.52 176.55 3gol h GLN 330 N 0.05 -0.53 0.00 4.72 7.50 -1.99 -0.92 115.11 123.94 3gol h GLN 330 Ca 0.01 0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.16 3gol h GLN 330 Cb -0.00 0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3gol h GLN 330 CO -0.00 -0.35 -0.18 1.05 -1.50 0.00 0.00 178.83 177.85 3gol h GLU 331 N -0.55 0.00 -0.09 1.46 9.09 -1.83 0.14 114.58 122.81 3gol h GLU 331 Ca 0.02 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.33 3gol h GLU 331 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3gol h GLU 331 CO -0.14 0.18 -0.31 -0.44 0.05 0.00 0.00 179.01 178.36 3gol h ASP 332 N 0.00 0.42 -0.04 3.06 5.19 -1.00 0.13 116.42 124.19 3gol h ASP 332 Ca -0.00 -0.62 0.04 0.00 -0.62 0.00 0.00 57.03 55.83 3gol h ASP 332 Cb 0.87 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.21 3gol h ASP 332 CO 0.02 0.97 -0.24 0.00 -3.12 0.00 0.00 179.24 176.87 3gol h ALA 333 N 0.47 -0.29 -0.94 3.45 0.00 -0.79 -0.49 119.26 120.67 3gol h ALA 333 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gol h ALA 333 Cb 0.94 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 3gol h ALA 333 CO 0.06 -0.73 0.62 0.00 0.00 0.00 0.00 179.25 179.21 3gol h ALA 334 N 0.52 1.21 -0.10 0.00 0.00 -0.74 -0.63 119.26 119.52 3gol h ALA 334 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gol h ALA 334 Cb 0.46 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gol h ALA 334 CO -0.24 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.62 3gol h ALA 335 N 1.36 0.13 -0.70 0.00 0.00 -0.56 -1.59 119.26 117.89 3gol h ALA 335 Ca 0.35 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3gol h ALA 335 Cb -0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3gol h ALA 335 CO -0.09 -0.33 0.39 -0.07 0.00 0.00 0.00 179.25 179.15 3gol h LEU 336 N 0.06 0.57 -0.59 0.00 4.07 -0.63 0.32 115.31 119.10 3gol h LEU 336 Ca 0.03 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.12 3gol h LEU 336 Cb 0.09 -0.07 -0.07 0.00 1.08 0.00 0.00 40.66 41.69 3gol h LEU 336 CO -0.01 0.36 0.23 0.03 -1.08 0.00 0.00 178.44 177.97 3gol h ARG 337 N 0.70 0.40 -0.75 1.13 3.08 -0.98 0.06 114.38 118.02 3gol h ARG 337 Ca 0.32 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 3gol h ARG 337 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3gol h ARG 337 CO -0.20 0.27 0.32 0.00 -1.07 0.00 0.00 179.97 179.29 3gol h ALA 338 N 1.39 1.16 -0.12 0.04 0.00 -0.25 -2.05 119.26 119.43 3gol h ALA 338 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gol h ALA 338 Cb 0.34 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gol h ALA 338 CO -0.28 0.62 -0.02 0.35 0.00 0.00 0.00 179.25 179.92 3gol h PHE 339 N 1.07 0.25 -0.56 0.00 3.04 -0.34 0.18 116.94 120.59 3gol h PHE 339 Ca 0.25 -0.05 0.07 0.00 3.98 0.00 0.00 57.97 62.23 3gol h PHE 339 Cb 0.17 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 3gol h PHE 339 CO 0.02 0.50 0.23 1.15 -2.02 0.00 0.00 178.31 178.19 3gol h THR 340 N -0.07 0.85 -0.22 4.41 2.02 -0.95 0.12 112.91 119.07 3gol h THR 340 Ca 0.03 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 3gol h THR 340 Cb 0.41 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3gol h THR 340 CO 0.01 0.08 -0.36 -0.08 0.37 0.00 0.00 175.52 175.54 3gol h GLU 341 N 0.44 0.48 -0.57 6.66 4.57 -1.15 0.35 114.58 125.36 3gol h GLU 341 Ca 0.27 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3gol h GLU 341 Cb 0.27 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3gol h GLU 341 CO -0.24 0.77 0.18 0.00 -1.18 0.00 0.00 179.01 178.54 3gol h ALA 342 N 1.21 0.74 -0.32 2.92 0.00 -0.21 -2.73 119.26 120.87 3gol h ALA 342 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3gol h ALA 342 Cb 0.82 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3gol h ALA 342 CO 0.07 0.41 -0.09 0.52 0.00 0.00 0.00 179.25 180.15 3gol h MET 343 N 0.80 0.54 -0.29 0.00 2.86 -0.30 -2.83 114.93 115.71 3gol h MET 343 Ca 0.18 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 3gol h MET 343 Cb 0.28 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3gol h MET 343 CO -0.01 0.63 -0.32 1.15 1.06 0.00 0.00 176.91 179.42 3gol h THR 344 N 0.50 1.28 0.00 2.22 2.02 -0.80 -1.62 112.91 116.52 3gol h THR 344 Ca 0.10 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 3gol h THR 344 Cb 0.47 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3gol h THR 344 CO 0.03 0.46 -0.18 0.03 0.37 0.00 0.00 175.52 176.23 3gol h ARG 345 N 0.52 0.00 -0.21 6.66 3.08 -1.24 -2.57 114.38 120.63 3gol h ARG 345 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3gol h ARG 345 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3gol h ARG 345 CO 0.07 0.18 0.00 0.66 -1.07 0.00 0.00 179.97 179.81 3gol n TYR 346 N -3.81 0.27 -3.14 3.04 4.01 -0.85 0.55 117.16 117.24 3gol n TYR 346 Ca -0.02 -0.14 -0.14 0.00 -0.16 0.00 0.00 57.90 57.45 3gol n TYR 346 Cb 0.28 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.38 3gol n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gol n SER 347 N 0.17 -2.93 -3.08 7.72 2.88 -0.97 -4.93 113.62 112.49 3gol n SER 347 Ca 0.11 -0.54 -0.16 0.00 -1.33 0.00 0.00 58.87 56.95 3gol n SER 347 Cb 0.23 -4.39 -0.01 0.00 -0.75 0.00 0.00 64.21 59.30 3gol n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gol n ALA 348 N -3.46 1.37 -1.74 -1.46 0.00 -0.67 -4.57 120.51 109.99 3gol n ALA 348 Ca -0.20 -2.95 -0.35 0.00 0.00 0.00 0.00 53.44 49.94 3gol n ALA 348 Cb 0.63 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.11 3gol n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gol s PRO 349 N -1.71 3.28 0.21 0.00 0.04 -1.26 -4.03 135.00 131.54 3gol s PRO 349 Ca 0.36 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.80 3gol s PRO 349 Cb 0.32 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 3gol s PRO 349 CO -0.08 -0.90 0.68 -1.25 0.04 0.00 0.00 177.00 175.49 3gol s PRO 350 N -3.40 4.15 0.00 0.56 0.04 -1.26 -0.57 135.00 134.53 3gol s PRO 350 Ca 0.72 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3gol s PRO 350 Cb -0.23 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.46 3gol s PRO 350 CO 0.29 0.39 0.00 0.41 0.04 0.00 0.00 177.00 178.13 3gol n GLY 351 N 0.63 -0.19 3.75 0.56 0.00 0.12 -4.46 105.19 105.61 3gol n GLY 351 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3gol n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gol s ASP 352 N -1.47 7.61 0.32 1.61 1.11 -1.26 -4.97 116.67 119.62 3gol s ASP 352 Ca 0.00 1.93 -0.29 0.00 0.18 0.00 0.00 52.55 54.37 3gol s ASP 352 Cb 0.00 -2.61 -0.11 0.00 1.07 0.00 0.00 42.92 41.28 3gol s ASP 352 CO 0.00 0.10 1.50 -2.84 1.18 0.00 0.00 175.17 175.11 3gol s PRO 353 N -0.94 4.17 0.54 8.23 0.02 -1.26 -4.62 135.00 141.14 3gol s PRO 353 Ca 0.42 2.48 -0.20 0.00 0.02 0.00 0.00 61.00 63.73 3gol s PRO 353 Cb -0.26 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.18 3gol s PRO 353 CO 0.32 -0.51 1.15 -1.25 -0.33 0.00 0.00 177.00 176.38 3gol s PRO 354 N -1.18 3.34 -0.18 5.54 0.04 -1.26 -5.02 135.00 136.28 3gol s PRO 354 Ca 0.57 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.31 3gol s PRO 354 Cb -0.45 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.05 3gol s PRO 354 CO 0.53 -0.87 -0.20 -1.14 0.04 0.00 0.00 177.00 175.36 3gol s GLN 355 N -3.20 3.01 0.38 4.56 2.00 -1.26 -4.99 119.66 120.15 3gol s GLN 355 Ca 0.72 -0.83 -0.28 0.00 -2.00 0.00 0.00 55.36 52.98 3gol s GLN 355 Cb -0.26 -2.57 -0.10 0.00 0.80 0.00 0.00 33.01 30.88 3gol s GLN 355 CO 0.29 -0.18 1.38 -1.25 -0.50 0.00 0.00 175.29 175.03 3gol s PRO 356 N 1.23 4.12 -0.02 1.67 0.04 -1.26 -4.53 135.00 136.24 3gol s PRO 356 Ca 0.03 2.35 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3gol s PRO 356 Cb -0.13 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.50 3gol s PRO 356 CO -0.11 -0.44 -0.01 -2.00 0.04 0.00 0.00 177.00 174.48 3gol s GLU 357 N -2.06 0.30 0.00 4.56 2.56 -0.38 -5.00 118.70 118.67 3gol s GLU 357 Ca 0.53 0.01 0.10 0.00 0.00 0.00 0.00 54.97 55.62 3gol s GLU 357 Cb -0.42 -0.41 0.17 0.00 2.00 0.00 0.00 34.13 35.47 3gol s GLU 357 CO 0.56 -0.07 1.01 0.66 -0.56 0.00 0.00 175.26 176.86 3gol n TYR 358 N 3.78 0.19 -4.28 5.30 4.02 -1.26 -1.32 117.16 123.58 3gol n TYR 358 Ca -0.23 -0.22 -0.19 0.00 -0.01 0.00 0.00 57.90 57.25 3gol n TYR 358 Cb 0.53 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.68 3gol n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gol s ASP 359 N -0.92 0.98 0.30 7.72 2.15 -1.26 -4.96 116.67 120.68 3gol s ASP 359 Ca 0.16 -0.15 0.08 0.00 0.43 0.00 0.00 52.55 53.08 3gol s ASP 359 Cb 0.10 -0.25 0.49 0.00 -0.30 0.00 0.00 42.92 42.95 3gol s ASP 359 CO 0.14 0.05 1.71 0.25 -0.17 0.00 0.00 175.17 177.14 3gol h LEU 360 N 6.38 0.16 -2.14 -1.34 5.85 -1.97 -2.57 115.31 119.68 3gol h LEU 360 Ca -0.33 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3gol h LEU 360 Cb 1.17 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3gol h LEU 360 CO 0.49 0.59 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.81 3gol h GLU 361 N 0.12 0.00 -0.01 1.25 5.08 -1.98 -2.32 114.58 116.73 3gol h GLU 361 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gol h GLU 361 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gol h GLU 361 CO 0.06 0.03 -0.21 1.28 -1.00 0.00 0.00 179.01 179.18 3gol n LEU 362 N -3.23 0.85 -4.58 1.33 4.32 -0.97 -4.65 117.00 110.07 3gol n LEU 362 Ca -0.01 -0.18 -0.41 0.00 -0.02 0.00 0.00 56.01 55.39 3gol n LEU 362 Cb 0.20 -0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 41.78 3gol n LEU 362 CO 0.25 0.16 0.23 -0.63 -1.22 0.00 0.00 177.39 176.19 3gol s ILE 363 N -2.49 5.04 -0.13 -0.08 1.01 -0.87 -5.04 121.20 118.62 3gol s ILE 363 Ca 0.26 0.55 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 3gol s ILE 363 Cb 0.19 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3gol s ILE 363 CO 0.50 -0.10 -0.03 0.28 0.00 0.00 0.00 174.94 175.60 3gol s THR 364 N 2.37 3.96 -0.30 2.92 -1.32 -1.26 -4.45 115.64 117.55 3gol s THR 364 Ca 0.20 -0.35 -0.13 0.00 -1.21 0.00 0.00 61.69 60.20 3gol s THR 364 Cb -0.15 -2.71 0.14 0.00 -1.51 0.00 0.00 72.50 68.26 3gol s THR 364 CO 0.12 0.53 0.79 -0.55 -2.21 0.00 0.00 174.62 173.29 3gol s SER 365 N -0.02 -0.90 -1.48 8.08 0.15 -0.71 -4.71 113.70 114.11 3gol s SER 365 Ca 0.01 1.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.81 3gol s SER 365 Cb -0.13 1.90 0.07 0.00 -1.71 0.00 0.00 66.02 66.15 3gol s SER 365 CO 0.03 -0.18 0.88 0.00 1.20 0.00 0.00 173.24 175.16 3gol n SER 367 N -2.72 -1.09 -4.29 0.00 7.64 -1.26 -4.98 113.62 106.92 3gol n SER 367 Ca 0.01 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.71 3gol n SER 367 Cb 0.54 -1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 62.51 3gol n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gol s SER 368 N -2.46 2.28 0.07 6.43 0.01 -0.89 -4.33 113.70 114.80 3gol s SER 368 Ca 0.00 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.35 3gol s SER 368 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3gol s SER 368 CO 0.00 -0.16 -0.05 0.54 0.41 0.00 0.00 173.24 173.98 3gol s ASN 369 N -2.88 0.78 0.30 2.44 4.22 0.13 -1.74 114.94 118.18 3gol s ASN 369 Ca 0.16 -0.90 -0.29 0.00 -2.14 0.00 0.00 52.86 49.69 3gol s ASN 369 Cb -0.03 0.13 -0.10 0.00 1.28 0.00 0.00 41.25 42.53 3gol s ASN 369 CO 0.05 -0.47 1.15 -0.69 -2.04 0.00 0.00 177.10 175.10 3gol s VAL 370 N -3.24 3.30 0.29 3.54 1.01 -1.26 -0.54 120.40 123.50 3gol s VAL 370 Ca 0.05 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.35 3gol s VAL 370 Cb 0.03 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3gol s VAL 370 CO -0.06 0.30 0.12 -0.55 0.00 0.00 0.00 175.10 174.92 3gol s SER 371 N -0.80 1.54 0.02 3.32 0.15 -0.04 -4.46 113.70 113.43 3gol s SER 371 Ca 0.46 -1.48 0.08 0.00 0.70 0.00 0.00 55.95 55.71 3gol s SER 371 Cb -0.34 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 3gol s SER 371 CO 0.44 -0.80 -0.22 -0.69 1.20 0.00 0.00 173.24 173.16 3gol s VAL 372 N -3.62 2.43 0.00 4.45 1.01 -1.26 -1.77 120.40 121.64 3gol s VAL 372 Ca 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3gol s VAL 372 Cb 0.06 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3gol s VAL 372 CO 0.15 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.68 3gol n ALA 373 N 1.89 0.00 -3.05 5.51 0.00 -0.55 -2.98 120.51 121.34 3gol n ALA 373 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 3gol n ALA 373 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 3gol n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3gol s HIS 374 N -3.66 1.63 0.00 0.00 3.76 0.35 -0.14 115.29 117.23 3gol s HIS 374 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 3gol s HIS 374 Cb 0.00 -1.12 0.00 0.00 1.11 0.00 0.00 32.58 32.57 3gol s HIS 374 CO 0.00 -0.20 0.00 -0.40 -0.85 0.00 0.00 174.74 173.29 3gol n ASP 375 N 3.32 -0.32 -0.15 1.40 5.75 -0.72 -0.02 116.55 125.81 3gol n ASP 375 Ca -0.19 -0.84 -0.09 0.00 -0.01 0.00 0.00 54.79 53.66 3gol n ASP 375 Cb 0.53 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3gol n ASP 375 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gol h ALA 376 N -2.00 0.57 -0.76 2.12 0.00 -1.91 -2.16 119.26 115.12 3gol h ALA 376 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3gol h ALA 376 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3gol h ALA 376 CO 0.00 0.21 0.50 0.66 0.00 0.00 0.00 179.25 180.62 3gol h SER 377 N 0.56 0.60 0.00 0.00 4.64 -1.94 -3.46 113.55 113.95 3gol h SER 377 Ca 0.14 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3gol h SER 377 Cb 0.26 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3gol h SER 377 CO -0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3gol n GLY 378 N -1.46 0.74 3.76 -0.77 0.00 -0.81 -5.09 105.19 101.55 3gol n GLY 378 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3gol n GLY 378 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gol n LYS 379 N -1.04 2.68 -2.03 1.61 4.81 -1.26 -4.72 118.16 118.20 3gol n LYS 379 Ca 0.00 0.94 -0.42 0.00 -0.87 0.00 0.00 58.31 57.97 3gol n LYS 379 Cb 0.00 -2.70 -0.03 0.00 0.02 0.00 0.00 35.03 32.32 3gol n LYS 379 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3gol s ARG 380 N -1.37 4.26 -0.07 1.64 0.52 -1.26 -1.76 118.95 120.92 3gol s ARG 380 Ca 0.58 2.25 0.02 0.00 -0.52 0.00 0.00 55.73 58.06 3gol s ARG 380 Cb -0.49 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 31.82 3gol s ARG 380 CO 0.57 -0.51 -0.10 0.08 0.02 0.00 0.00 175.30 175.36 3gol s VAL 381 N 0.88 1.04 0.10 3.52 1.01 0.80 -4.91 120.40 122.84 3gol s VAL 381 Ca 0.66 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3gol s VAL 381 Cb -0.41 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 3gol s VAL 381 CO 0.33 0.34 0.49 -0.31 0.00 0.00 0.00 175.10 175.95 3gol s TYR 382 N 0.85 3.63 0.14 5.22 2.02 -1.26 -1.49 117.35 126.47 3gol s TYR 382 Ca -0.11 0.99 -0.10 0.00 -0.37 0.00 0.00 57.07 57.47 3gol s TYR 382 Cb -0.15 -2.31 -0.00 0.00 -0.40 0.00 0.00 41.96 39.10 3gol s TYR 382 CO 0.02 0.50 0.29 1.52 -1.57 0.00 0.00 175.55 176.30 3gol s TYR 383 N -1.37 0.24 0.01 2.71 1.13 -0.73 -4.97 117.35 114.38 3gol s TYR 383 Ca 0.34 -0.62 -0.21 0.00 -1.41 0.00 0.00 57.07 55.17 3gol s TYR 383 Cb -0.15 0.01 -0.06 0.00 -1.10 0.00 0.00 41.96 40.66 3gol s TYR 383 CO 0.18 -0.69 0.63 -0.51 -2.51 0.00 0.00 175.55 172.65 3gol s LEU 384 N -2.92 4.43 0.32 -3.49 1.43 -1.26 -0.86 118.68 116.34 3gol s LEU 384 Ca 0.12 1.23 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 3gol s LEU 384 Cb 0.03 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 3gol s LEU 384 CO -0.04 0.10 0.23 0.28 0.23 0.00 0.00 176.35 177.14 3gol s THR 385 N -0.25 0.12 0.35 5.49 -1.32 0.30 -4.70 115.64 115.63 3gol s THR 385 Ca 0.32 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.72 3gol s THR 385 Cb -0.19 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.34 3gol s THR 385 CO 0.19 0.00 0.59 0.00 -2.21 0.00 0.00 174.62 173.19 3gol s ARG 386 N -3.62 1.99 0.13 7.08 1.70 -1.26 -0.70 118.95 124.28 3gol s ARG 386 Ca 0.38 -1.58 -0.30 0.00 -0.47 0.00 0.00 55.73 53.75 3gol s ARG 386 Cb 0.03 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.86 3gol s ARG 386 CO 0.23 -0.87 1.21 0.34 -1.08 0.00 0.00 175.30 175.12 3gol s ASP 387 N -3.15 7.08 0.00 -2.89 -1.08 -1.26 -4.93 116.67 110.43 3gol s ASP 387 Ca 0.24 2.15 0.20 0.00 -0.52 0.00 0.00 52.55 54.61 3gol s ASP 387 Cb -0.02 -2.59 0.85 0.00 -1.46 0.00 0.00 42.92 39.69 3gol s ASP 387 CO 0.16 -0.42 1.59 -0.81 0.52 0.00 0.00 175.17 176.21 3gol n PRO 388 N 3.15 1.49 0.13 4.34 -0.04 -1.26 -4.40 135.00 138.42 3gol n PRO 388 Ca 0.07 -0.74 -0.13 0.00 -0.04 0.00 0.00 63.50 62.65 3gol n PRO 388 Cb 0.45 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 3gol n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gol h THR 389 N 1.50 0.72 -0.07 0.52 2.02 -1.95 -0.08 112.91 115.57 3gol h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3gol h THR 389 Cb 0.33 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3gol h THR 389 CO 0.00 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.52 3gol h THR 390 N -0.31 1.40 -0.79 3.16 2.02 -1.97 -1.95 112.91 114.46 3gol h THR 390 Ca -0.01 -1.37 0.18 0.00 0.77 0.00 0.00 66.41 65.98 3gol h THR 390 Cb 0.27 2.13 -0.12 0.00 -1.74 0.00 0.00 68.15 68.70 3gol h THR 390 CO 0.00 0.38 0.20 -0.65 0.37 0.00 0.00 175.52 175.82 3gol h PRO 391 N -0.26 0.25 -0.31 6.66 0.11 -1.80 -2.19 132.00 134.45 3gol h PRO 391 Ca 0.01 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 3gol h PRO 391 Cb 0.67 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3gol h PRO 391 CO 0.03 0.16 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.75 3gol h LEU 392 N 0.25 0.68 -0.31 2.35 3.38 -0.73 -1.73 115.31 119.20 3gol h LEU 392 Ca 0.46 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3gol h LEU 392 Cb 0.84 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3gol h LEU 392 CO -0.56 0.94 -0.17 0.00 0.09 0.00 0.00 178.44 178.74 3gol h ALA 393 N 0.76 0.06 0.00 1.53 0.00 -1.08 -0.82 119.26 119.72 3gol h ALA 393 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3gol h ALA 393 Cb 0.69 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3gol h ALA 393 CO 0.05 -0.56 -0.18 0.00 0.00 0.00 0.00 179.25 178.56 3gol h ARG 394 N -0.13 0.00 -0.37 0.00 3.08 -1.22 -0.01 114.38 115.74 3gol h ARG 394 Ca 0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 3gol h ARG 394 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3gol h ARG 394 CO -0.39 0.18 -0.11 0.00 -1.07 0.00 0.00 179.97 178.57 3gol h ALA 395 N 1.82 0.51 -0.18 0.04 0.00 -0.56 0.69 119.26 121.59 3gol h ALA 395 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3gol h ALA 395 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gol h ALA 395 CO 0.02 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.38 3gol h ALA 396 N 0.82 1.20 -0.01 0.00 0.00 -0.26 -1.47 119.26 119.53 3gol h ALA 396 Ca 0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3gol h ALA 396 Cb 0.63 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3gol h ALA 396 CO 0.04 0.52 -0.45 2.35 0.00 0.00 0.00 179.25 181.71 3gol h TRP 397 N 0.30 0.48 0.00 0.00 2.91 -0.90 -2.85 115.95 115.89 3gol h TRP 397 Ca 0.04 -0.25 0.00 0.00 1.13 0.00 0.00 58.89 59.81 3gol h TRP 397 Cb 0.65 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.24 3gol h TRP 397 CO 0.01 1.05 0.00 0.93 -1.03 0.00 0.00 178.44 179.41 3gol h GLU 398 N -0.23 0.00 -0.02 2.65 5.08 -0.83 -1.17 114.58 120.06 3gol h GLU 398 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3gol h GLU 398 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gol h GLU 398 CO 0.09 0.00 -0.14 1.15 -1.00 0.00 0.00 179.01 179.11 3gol h THR 399 N 0.00 1.52 0.00 1.13 2.02 -1.19 -3.36 112.91 113.02 3gol h THR 399 Ca 0.00 -1.72 -0.18 0.00 0.77 0.00 0.00 66.41 65.28 3gol h THR 399 Cb 0.24 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 3gol h THR 399 CO 0.00 0.47 -0.84 0.00 0.37 0.00 0.00 175.52 175.52 3gol h ALA 400 N 0.33 0.61 -4.10 6.16 0.00 -1.26 -3.45 119.26 117.54 3gol h ALA 400 Ca -0.01 -0.74 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 3gol h ALA 400 Cb 0.84 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 18.21 3gol h ALA 400 CO 0.03 0.99 -0.84 1.03 0.00 0.00 0.00 179.25 180.45 3gol s ARG 401 N -3.16 1.69 0.06 0.00 0.52 -0.47 -5.03 118.95 112.56 3gol s ARG 401 Ca -0.01 -0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.25 3gol s ARG 401 Cb 0.11 -1.53 -0.07 0.00 0.52 0.00 0.00 34.95 33.98 3gol s ARG 401 CO 0.80 0.32 1.48 -1.58 0.02 0.00 0.00 175.30 176.34 3gol s HIS 402 N -0.18 2.84 0.06 -0.53 5.65 -1.26 -4.31 115.29 117.57 3gol s HIS 402 Ca 0.01 0.70 0.03 0.00 0.25 0.00 0.00 55.06 56.05 3gol s HIS 402 Cb -0.10 -3.77 -0.03 0.00 -1.18 0.00 0.00 32.58 27.51 3gol s HIS 402 CO 0.01 -2.88 -0.10 0.95 -0.65 0.00 0.00 174.74 172.07 3gol s THR 403 N 2.09 0.75 -0.36 0.89 -4.23 -1.26 -5.07 115.64 108.45 3gol s THR 403 Ca 0.67 -1.28 0.27 0.00 -1.18 0.00 0.00 61.69 60.17 3gol s THR 403 Cb -0.36 -0.91 0.32 0.00 1.34 0.00 0.00 72.50 72.90 3gol s THR 403 CO 0.29 -0.40 1.78 1.55 -0.54 0.00 0.00 174.62 177.30 3gol h PRO 404 N 4.20 0.00 -5.52 3.99 0.13 -1.95 -3.42 132.00 129.43 3gol h PRO 404 Ca -0.37 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.15 3gol h PRO 404 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 3gol h PRO 404 CO 0.44 0.00 -0.85 0.42 -0.23 0.00 0.00 178.00 177.77 3gol s ILE 405 N -3.34 1.66 -0.73 -3.56 -1.09 -1.26 -4.66 121.20 108.22 3gol s ILE 405 Ca 0.05 -0.84 -0.09 0.00 -2.23 0.00 0.00 60.65 57.55 3gol s ILE 405 Cb 0.09 -1.42 0.19 0.00 -1.58 0.00 0.00 42.46 39.74 3gol s ILE 405 CO 0.55 0.47 0.61 0.20 -1.23 0.00 0.00 174.94 175.54 3gol s ASN 406 N -0.00 6.05 0.51 3.58 0.01 0.29 -4.91 114.94 120.46 3gol s ASN 406 Ca -0.05 -2.76 0.22 0.00 -0.71 0.00 0.00 52.86 49.57 3gol s ASN 406 Cb -0.13 -2.04 1.35 0.00 0.41 0.00 0.00 41.25 40.84 3gol s ASN 406 CO 0.03 -0.48 2.09 0.77 -1.51 0.00 0.00 177.10 178.00 3gol h SER 407 N 7.45 0.00 0.14 -1.22 4.64 -1.90 -1.62 113.55 121.04 3gol h SER 407 Ca 0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3gol h SER 407 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3gol h SER 407 CO 0.74 0.11 -0.14 4.11 -0.87 0.00 0.00 176.83 180.78 3gol h TRP 408 N 0.00 0.00 0.09 4.77 5.08 -1.88 0.73 115.95 124.74 3gol h TRP 408 Ca -0.00 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.70 3gol h TRP 408 Cb 0.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.38 3gol h TRP 408 CO 0.00 0.14 -1.26 1.25 -1.28 0.00 0.00 178.44 177.29 3gol h LEU 409 N 0.00 0.31 -0.84 0.11 5.85 -1.69 -0.18 115.31 118.86 3gol h LEU 409 Ca -0.00 -0.35 -0.12 0.00 0.84 0.00 0.00 57.88 58.25 3gol h LEU 409 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3gol h LEU 409 CO 0.02 1.28 -0.40 1.23 -0.34 0.00 0.00 178.44 180.23 3gol h GLY 410 N 2.00 0.40 1.61 3.75 0.00 -1.35 -2.59 103.07 106.89 3gol h GLY 410 Ca -0.13 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.58 3gol h GLY 410 CO 0.17 0.35 -1.00 3.43 0.00 0.00 0.00 176.54 179.49 3gol h ASN 411 N 0.31 0.46 -0.49 0.19 2.35 -0.80 -0.63 115.58 116.97 3gol h ASN 411 Ca 0.03 -0.39 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 3gol h ASN 411 Cb 0.84 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 3gol h ASN 411 CO 0.07 1.22 0.17 0.40 -1.65 0.00 0.00 177.43 177.64 3gol h ILE 412 N 0.17 1.22 -0.08 2.81 2.04 -1.04 0.20 117.51 122.83 3gol h ILE 412 Ca -0.09 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 3gol h ILE 412 Cb 1.66 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3gol h ILE 412 CO 0.17 0.26 -0.20 0.40 0.00 0.00 0.00 178.15 178.78 3gol h ILE 413 N 0.65 1.41 -0.42 -0.67 2.04 -1.44 0.42 117.51 119.50 3gol h ILE 413 Ca 0.16 -1.54 -0.11 0.00 1.00 0.00 0.00 64.86 64.37 3gol h ILE 413 Cb 0.24 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3gol h ILE 413 CO -0.01 0.44 -0.17 0.24 0.00 0.00 0.00 178.15 178.65 3gol h MET 414 N -0.21 0.85 -0.54 2.37 2.86 -1.15 -3.31 114.93 115.80 3gol h MET 414 Ca -0.00 -0.36 -0.30 0.00 -2.06 0.00 0.00 59.70 56.98 3gol h MET 414 Cb 0.81 -0.03 -0.18 0.00 0.06 0.00 0.00 31.60 32.25 3gol h MET 414 CO 0.04 1.00 0.06 0.66 1.06 0.00 0.00 176.91 179.73 3gol n TYR 415 N -4.24 1.70 -0.33 -0.22 4.01 0.71 -4.78 117.16 114.01 3gol n TYR 415 Ca -0.01 -1.79 0.23 0.00 -0.16 0.00 0.00 57.90 56.17 3gol n TYR 415 Cb 0.41 -0.63 0.51 0.00 -0.31 0.00 0.00 39.34 39.32 3gol n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gol h ALA 416 N 1.14 2.23 -0.15 -0.72 0.00 -1.00 0.23 119.26 120.98 3gol h ALA 416 Ca 0.34 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3gol h ALA 416 Cb 1.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3gol h ALA 416 CO 0.63 -0.66 0.00 -0.35 0.00 0.00 0.00 179.25 178.87 3gol n PRO 417 N -4.65 1.60 -2.31 0.00 -0.05 -1.26 -4.48 135.00 123.84 3gol n PRO 417 Ca 0.26 -0.91 -0.31 0.00 -0.05 0.00 0.00 63.50 62.49 3gol n PRO 417 Cb 0.91 -1.36 -0.02 0.00 -0.05 0.00 0.00 33.50 32.98 3gol n PRO 417 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3gol s THR 418 N -1.80 4.62 0.13 0.52 -4.23 0.07 -4.95 115.64 110.00 3gol s THR 418 Ca 0.30 1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 61.65 3gol s THR 418 Cb 0.16 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3gol s THR 418 CO 0.24 -0.80 1.74 0.25 -0.54 0.00 0.00 174.62 175.51 3gol h LEU 419 N 0.59 0.37 -0.33 4.79 5.85 -1.91 -2.44 115.31 122.23 3gol h LEU 419 Ca -0.46 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.02 3gol h LEU 419 Cb 1.19 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3gol h LEU 419 CO 0.62 0.33 -0.43 4.11 -0.34 0.00 0.00 178.44 182.73 3gol h TRP 420 N 0.37 1.07 -0.93 1.25 5.08 -1.93 -1.89 115.95 118.97 3gol h TRP 420 Ca 0.11 -0.35 0.02 0.00 1.08 0.00 0.00 58.89 59.74 3gol h TRP 420 Cb 0.04 -0.22 -0.05 0.00 -3.00 0.00 0.00 29.16 25.94 3gol h TRP 420 CO -0.04 1.17 0.61 0.00 -1.28 0.00 0.00 178.44 178.90 3gol h ALA 421 N 0.72 1.19 0.00 0.11 0.00 -1.78 -2.01 119.26 117.49 3gol h ALA 421 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gol h ALA 421 Cb 1.03 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gol h ALA 421 CO 0.10 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 3gol h ARG 422 N 1.24 0.03 0.10 0.00 3.08 -1.27 -1.65 114.38 115.92 3gol h ARG 422 Ca 0.35 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 60.10 3gol h ARG 422 Cb -0.11 0.01 0.03 0.00 0.08 0.00 0.00 29.97 29.97 3gol h ARG 422 CO -0.08 0.88 -1.11 0.52 -1.07 0.00 0.00 179.97 179.11 3gol h MET 423 N -0.82 0.57 0.00 0.04 2.86 -1.43 -3.33 114.93 112.82 3gol h MET 423 Ca -0.01 -0.75 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 3gol h MET 423 Cb 0.90 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.81 3gol h MET 423 CO 0.01 1.33 -0.60 -0.89 1.06 0.00 0.00 176.91 177.82 3gol n ILE 424 N -3.89 1.08 0.28 -1.22 5.41 -0.80 -4.05 119.36 116.17 3gol n ILE 424 Ca -0.13 0.26 -0.18 0.00 1.00 0.00 0.00 62.75 63.70 3gol n ILE 424 Cb 0.92 -2.14 -0.09 0.00 -0.71 0.00 0.00 39.64 37.62 3gol n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3gol h LEU 425 N -0.73 -1.33 0.39 1.39 4.07 -1.28 0.15 115.31 117.97 3gol h LEU 425 Ca 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3gol h LEU 425 Cb 0.60 0.44 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 3gol h LEU 425 CO 0.00 -0.64 -0.25 0.24 -1.08 0.00 0.00 178.44 176.71 3gol h MET 426 N -0.96 -0.60 -0.72 1.13 2.86 -1.44 -1.82 114.93 113.38 3gol h MET 426 Ca -0.05 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3gol h MET 426 Cb 0.84 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.50 3gol h MET 426 CO -0.07 -0.40 -0.28 1.15 1.06 0.00 0.00 176.91 178.37 3gol h THR 427 N -0.62 0.17 0.55 2.22 2.02 -1.64 -1.41 112.91 114.20 3gol h THR 427 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3gol h THR 427 Cb 0.52 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3gol h THR 427 CO 0.03 0.00 -0.26 -0.74 0.37 0.00 0.00 175.52 174.92 3gol h HIS 428 N -0.07 -0.68 0.00 3.16 6.17 -0.37 -2.61 115.15 120.76 3gol h HIS 428 Ca 0.31 -0.02 -0.18 0.00 0.71 0.00 0.00 60.37 61.19 3gol h HIS 428 Cb 0.56 0.22 -0.03 0.00 2.52 0.00 0.00 27.41 30.69 3gol h HIS 428 CO -0.66 -0.42 -0.85 0.74 0.71 0.00 0.00 177.93 177.45 3gol h PHE 429 N -0.74 0.00 -0.45 5.26 0.04 -0.99 -1.84 116.94 118.23 3gol h PHE 429 Ca -0.07 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.57 3gol h PHE 429 Cb 0.56 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3gol h PHE 429 CO -0.04 0.85 -0.23 0.74 -0.60 0.00 0.00 178.31 179.04 3gol h PHE 430 N 0.00 1.09 0.26 -0.55 -1.00 -1.35 0.19 116.94 115.58 3gol h PHE 430 Ca -0.01 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.50 3gol h PHE 430 Cb 1.54 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 40.82 3gol h PHE 430 CO 0.00 1.08 -0.45 1.03 -1.61 0.00 0.00 178.31 178.36 3gol h SER 431 N 0.78 -1.29 -0.23 2.17 0.87 -1.31 0.80 113.55 115.35 3gol h SER 431 Ca 0.10 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 3gol h SER 431 Cb 0.80 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 63.16 3gol h SER 431 CO 0.07 -0.55 -0.18 0.40 -0.53 0.00 0.00 176.83 176.04 3gol h ILE 432 N -0.78 0.51 -0.70 2.23 1.08 -1.18 0.90 117.51 119.57 3gol h ILE 432 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.39 3gol h ILE 432 Cb 0.74 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 3gol h ILE 432 CO -0.18 0.00 0.15 -0.07 -0.69 0.00 0.00 178.15 177.36 3gol h LEU 433 N -0.18 1.08 -0.80 1.44 4.07 -0.57 -2.53 115.31 117.82 3gol h LEU 433 Ca 0.13 -0.24 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 3gol h LEU 433 Cb 0.38 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 3gol h LEU 433 CO -0.34 1.04 0.28 0.25 -1.08 0.00 0.00 178.44 178.59 3gol h LEU 434 N 1.06 1.09 -0.43 1.67 5.85 -0.54 -0.14 115.31 123.88 3gol h LEU 434 Ca 0.22 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3gol h LEU 434 Cb 0.40 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3gol h LEU 434 CO 0.01 0.98 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 3gol h ALA 435 N 1.17 0.39 -0.01 1.25 0.00 -0.46 -3.10 119.26 118.50 3gol h ALA 435 Ca 0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3gol h ALA 435 Cb 0.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gol h ALA 435 CO -0.02 -0.39 -0.17 1.04 0.00 0.00 0.00 179.25 179.71 3gol n GLN 436 N -5.20 1.37 -2.87 0.00 6.02 -0.87 -4.95 117.38 110.88 3gol n GLN 436 Ca 0.03 -0.92 -0.22 0.00 -0.01 0.00 0.00 57.00 55.89 3gol n GLN 436 Cb 0.22 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.03 3gol n GLN 436 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3gol n GLU 437 N -0.01 -4.13 -0.61 -1.09 1.02 -0.13 -4.90 120.64 110.79 3gol n GLU 437 Ca 0.14 0.92 0.08 0.00 -0.02 0.00 0.00 57.16 58.28 3gol n GLU 437 Cb 0.40 -5.70 0.33 0.00 -0.02 0.00 0.00 31.44 26.46 3gol n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gol n GLN 438 N -3.75 3.78 -0.12 3.49 1.13 -0.79 -4.64 117.38 116.48 3gol n GLN 438 Ca -0.14 -2.87 -0.10 0.00 -1.94 0.00 0.00 57.00 51.95 3gol n GLN 438 Cb 0.63 -1.91 -0.02 0.00 0.11 0.00 0.00 30.24 29.05 3gol n GLN 438 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3gol h LEU 439 N 3.48 0.58 -1.08 1.08 5.85 -1.91 -1.53 115.31 121.78 3gol h LEU 439 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3gol h LEU 439 Cb 1.51 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3gol h LEU 439 CO 0.27 0.70 0.00 -0.33 -0.34 0.00 0.00 178.44 178.74 3gol h GLU 440 N 0.43 0.00 -6.94 1.25 5.08 -1.95 -3.37 114.58 109.08 3gol h GLU 440 Ca 0.11 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.01 3gol h GLU 440 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gol h GLU 440 CO 0.01 0.00 0.31 0.21 -1.00 0.00 0.00 179.01 178.54 3gol s LYS 441 N -3.46 4.35 0.42 2.33 2.47 -0.58 -4.89 119.74 120.38 3gol s LYS 441 Ca 0.02 1.15 -0.13 0.00 -1.56 0.00 0.00 55.97 55.45 3gol s LYS 441 Cb 0.09 -2.47 -0.07 0.00 -1.46 0.00 0.00 37.83 33.91 3gol s LYS 441 CO 0.39 0.13 0.82 0.00 0.16 0.00 0.00 175.35 176.84 3gol s ALA 442 N -1.91 3.28 0.02 3.13 0.00 -1.26 -4.29 121.76 120.72 3gol s ALA 442 Ca 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3gol s ALA 442 Cb -0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3gol s ALA 442 CO 0.18 -0.01 -0.03 -0.51 0.00 0.00 0.00 175.76 175.39 3gol s LEU 443 N -3.77 2.22 -0.11 0.00 1.43 -0.39 -4.90 118.68 113.16 3gol s LEU 443 Ca 0.53 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3gol s LEU 443 Cb -0.10 0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.16 3gol s LEU 443 CO 0.29 -0.28 0.27 -1.81 0.23 0.00 0.00 176.35 175.05 3gol s ASP 444 N -1.34 6.50 0.33 2.29 1.01 -1.26 -0.53 116.67 123.67 3gol s ASP 444 Ca -0.15 0.59 -0.03 0.00 0.71 0.00 0.00 52.55 53.67 3gol s ASP 444 Cb -0.09 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.69 3gol s ASP 444 CO -0.01 0.24 0.48 0.00 0.21 0.00 0.00 175.17 176.10 3gol s GLN 446 N -2.64 0.25 -0.15 0.00 -2.07 -1.26 -0.33 119.66 113.45 3gol s GLN 446 Ca 0.25 0.32 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 3gol s GLN 446 Cb -0.01 0.10 -0.01 0.00 -1.09 0.00 0.00 33.01 32.00 3gol s GLN 446 CO 0.18 -0.04 -0.14 0.42 -1.32 0.00 0.00 175.29 174.38 3gol s ILE 447 N 0.22 2.79 -1.46 3.63 1.09 -0.88 -4.72 121.20 121.87 3gol s ILE 447 Ca -0.01 -0.73 -0.08 0.00 -1.10 0.00 0.00 60.65 58.73 3gol s ILE 447 Cb -0.02 -2.18 0.03 0.00 -1.06 0.00 0.00 42.46 39.23 3gol s ILE 447 CO -0.00 0.51 0.75 -1.22 -0.10 0.00 0.00 174.94 174.88 3gol n TYR 448 N 3.94 -2.15 0.00 3.97 4.01 -1.26 -1.98 117.16 123.69 3gol n TYR 448 Ca -0.19 0.66 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 3gol n TYR 448 Cb 0.52 -4.18 0.00 0.00 -0.31 0.00 0.00 39.34 35.37 3gol n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gol n GLY 449 N -1.56 3.01 3.83 2.72 0.00 -1.26 -0.79 105.19 111.13 3gol n GLY 449 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3gol n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gol s ALA 450 N -1.57 3.50 -0.20 4.61 0.00 -0.84 -4.43 121.76 122.83 3gol s ALA 450 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 3gol s ALA 450 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 3gol s ALA 450 CO 0.00 0.39 0.33 0.00 0.00 0.00 0.00 175.76 176.47 3gol s TYR 452 N 1.10 2.37 -0.07 0.00 1.51 0.55 -0.35 117.35 122.46 3gol s TYR 452 Ca 0.16 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.71 3gol s TYR 452 Cb -0.14 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.18 3gol s TYR 452 CO 0.06 0.04 0.26 0.45 -1.11 0.00 0.00 175.55 175.26 3gol s SER 453 N -0.85 6.57 -0.16 2.29 0.15 -1.10 -1.40 113.70 119.20 3gol s SER 453 Ca 0.11 0.68 -0.08 0.00 0.70 0.00 0.00 55.95 57.35 3gol s SER 453 Cb -0.10 -2.15 0.06 0.00 -1.71 0.00 0.00 66.02 62.11 3gol s SER 453 CO 0.00 0.35 0.38 -0.63 1.20 0.00 0.00 173.24 174.54 3gol s ILE 454 N -0.91 -0.03 -0.06 6.45 1.01 0.31 -4.91 121.20 123.06 3gol s ILE 454 Ca 0.19 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 3gol s ILE 454 Cb -0.14 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 3gol s ILE 454 CO 0.08 0.04 0.84 -1.61 0.00 0.00 0.00 174.94 174.29 3gol s GLU 455 N 1.35 4.46 0.43 2.79 2.02 -1.26 -1.26 118.70 127.23 3gol s GLU 455 Ca -0.09 1.12 0.17 0.00 0.02 0.00 0.00 54.97 56.19 3gol s GLU 455 Cb -0.09 -3.48 0.97 0.00 0.10 0.00 0.00 34.13 31.64 3gol s GLU 455 CO -0.12 -0.06 1.92 -1.00 0.02 0.00 0.00 175.26 176.03 3gol h PRO 456 N 6.88 0.00 -0.33 0.39 0.13 -1.75 -1.00 132.00 136.32 3gol h PRO 456 Ca -0.39 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.84 3gol h PRO 456 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3gol h PRO 456 CO 0.77 0.26 0.32 -0.07 -0.23 0.00 0.00 178.00 179.05 3gol h LEU 457 N 0.00 0.00 -1.03 1.56 3.38 -1.92 0.97 115.31 118.27 3gol h LEU 457 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gol h LEU 457 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3gol h LEU 457 CO 0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.03 3gol n ASP 458 N -3.90 1.39 -0.04 -0.43 8.00 -0.38 -4.31 116.55 116.89 3gol n ASP 458 Ca 0.05 -2.09 -0.09 0.00 0.71 0.00 0.00 54.79 53.37 3gol n ASP 458 Cb 0.48 -0.30 0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3gol n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gol h LEU 459 N 0.92 0.72 -0.62 0.64 4.07 -0.94 -1.96 115.31 118.13 3gol h LEU 459 Ca 0.00 -0.33 0.06 0.00 0.08 0.00 0.00 57.88 57.69 3gol h LEU 459 Cb 0.49 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 3gol h LEU 459 CO 0.05 1.04 0.33 -0.65 -1.08 0.00 0.00 178.44 178.13 3gol h PRO 460 N 0.55 0.59 -0.20 1.13 0.11 -1.81 -1.05 132.00 131.32 3gol h PRO 460 Ca 0.04 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 3gol h PRO 460 Cb 0.95 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3gol h PRO 460 CO 0.09 0.39 -0.55 1.96 -0.21 0.00 0.00 178.00 179.68 3gol h GLN 461 N 0.61 0.62 -0.05 1.05 7.50 -1.84 -2.19 115.11 120.82 3gol h GLN 461 Ca 0.28 -0.39 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 3gol h GLN 461 Cb 0.19 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.76 3gol h GLN 461 CO -0.18 1.01 -0.08 0.82 -1.50 0.00 0.00 178.83 178.90 3gol h ILE 462 N 0.47 1.42 -0.66 2.54 2.04 -1.23 -2.80 117.51 119.29 3gol h ILE 462 Ca 0.01 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.56 3gol h ILE 462 Cb 1.11 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 39.36 3gol h ILE 462 CO 0.11 0.37 0.39 0.40 0.00 0.00 0.00 178.15 179.42 3gol h ILE 463 N -0.37 1.03 -0.40 -0.67 2.04 -1.20 -2.00 117.51 115.94 3gol h ILE 463 Ca 0.00 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3gol h ILE 463 Cb 0.64 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3gol h ILE 463 CO 0.02 0.13 0.11 -0.08 0.00 0.00 0.00 178.15 178.33 3gol h GLU 464 N 0.74 0.24 -0.18 2.37 4.81 -1.37 0.18 114.58 121.37 3gol h GLU 464 Ca 0.28 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3gol h GLU 464 Cb 0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3gol h GLU 464 CO -0.14 0.16 -0.33 0.00 -0.73 0.00 0.00 179.01 177.97 3gol h ARG 465 N 0.25 0.37 0.13 1.92 2.47 -1.18 0.47 114.38 118.82 3gol h ARG 465 Ca 0.19 -0.16 -0.22 0.00 -1.26 0.00 0.00 59.98 58.53 3gol h ARG 465 Cb 0.20 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 3gol h ARG 465 CO -0.22 0.66 -1.03 -0.07 0.56 0.00 0.00 179.97 179.87 3gol h LEU 466 N 0.32 0.44 0.00 3.04 3.38 -1.11 -3.42 115.31 117.97 3gol h LEU 466 Ca 0.04 -0.91 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 3gol h LEU 466 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3gol h LEU 466 CO 0.06 1.48 -1.35 1.41 0.09 0.00 0.00 178.44 180.12 3gol n HIS 467 N -4.05 0.00 -0.23 1.13 8.25 0.61 -4.57 115.22 116.36 3gol n HIS 467 Ca -0.18 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.29 3gol n HIS 467 Cb 0.85 -0.22 -0.00 0.00 1.12 0.00 0.00 29.99 31.74 3gol n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gol n GLY 468 N 2.42 -2.92 0.60 -1.41 0.00 0.17 -4.45 105.19 99.59 3gol n GLY 468 Ca -0.06 -1.27 0.46 0.00 0.00 0.00 0.00 46.02 45.15 3gol n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gol h LEU 469 N -0.03 0.10 -0.81 0.99 4.07 -1.88 0.16 115.31 117.91 3gol h LEU 469 Ca -0.01 0.06 0.32 0.00 0.08 0.00 0.00 57.88 58.33 3gol h LEU 469 Cb 0.16 0.06 -0.15 0.00 1.08 0.00 0.00 40.66 41.81 3gol h LEU 469 CO 0.00 -0.10 0.36 -0.24 -1.08 0.00 0.00 178.44 177.39 3gol n SER 470 N -4.29 0.22 0.26 -0.43 2.88 -1.26 -0.16 113.62 110.84 3gol n SER 470 Ca 0.41 1.34 0.11 0.00 -1.33 0.00 0.00 58.87 59.40 3gol n SER 470 Cb 1.75 -0.62 0.73 0.00 -0.75 0.00 0.00 64.21 65.31 3gol n SER 470 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gol h ALA 471 N 1.61 1.49 -0.02 -1.46 0.00 -0.88 -1.37 119.26 118.62 3gol h ALA 471 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3gol h ALA 471 Cb 1.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3gol h ALA 471 CO -0.64 0.12 0.00 1.19 0.00 0.00 0.00 179.25 179.91 3gol n PHE 472 N -3.90 0.02 -1.05 0.00 3.72 0.78 -4.18 117.46 112.84 3gol n PHE 472 Ca -0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3gol n PHE 472 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3gol n PHE 472 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gol n THR 473 N -0.43 0.00 -1.72 4.37 -2.24 -0.63 -4.56 114.28 109.07 3gol n THR 473 Ca 0.21 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.58 3gol n THR 473 Cb 0.22 1.61 0.01 0.00 -2.10 0.00 0.00 70.33 70.07 3gol n THR 473 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gol n LEU 474 N 0.00 4.38 -3.97 3.22 4.77 -0.61 -3.97 117.00 120.82 3gol n LEU 474 Ca 0.00 1.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.98 3gol n LEU 474 Cb 0.33 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 39.86 3gol n LEU 474 CO 0.00 -0.48 0.28 -1.38 -1.33 0.00 0.00 177.39 174.48 3gol s HIS 475 N -1.20 0.60 -0.99 -1.77 -3.43 0.98 -4.95 115.29 104.53 3gol s HIS 475 Ca 0.61 -1.00 -0.06 0.00 -0.80 0.00 0.00 55.06 53.81 3gol s HIS 475 Cb -0.49 0.29 -0.05 0.00 -1.43 0.00 0.00 32.58 30.90 3gol s HIS 475 CO 0.58 -1.26 0.86 0.45 -2.00 0.00 0.00 174.74 173.37 3gol n SER 476 N -1.20 -6.75 -4.78 7.38 2.88 -1.26 -0.49 113.62 109.39 3gol n SER 476 Ca -0.03 -0.61 -0.30 0.00 -1.33 0.00 0.00 58.87 56.61 3gol n SER 476 Cb 0.61 -5.01 0.10 0.00 -0.75 0.00 0.00 64.21 59.16 3gol n SER 476 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3gol s TYR 477 N -3.31 2.70 0.79 0.66 1.51 -1.26 -3.85 117.35 114.59 3gol s TYR 477 Ca 0.36 1.19 -0.11 0.00 -1.01 0.00 0.00 57.07 57.50 3gol s TYR 477 Cb -0.06 -3.13 0.07 0.00 -0.11 0.00 0.00 41.96 38.73 3gol s TYR 477 CO 0.76 -1.92 1.10 -1.54 -1.11 0.00 0.00 175.55 172.84 3gol s SER 478 N -3.77 4.35 0.23 2.29 1.04 -1.16 -4.90 113.70 111.78 3gol s SER 478 Ca 0.61 1.86 0.05 0.00 0.48 0.00 0.00 55.95 58.96 3gol s SER 478 Cb -0.15 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.68 3gol s SER 478 CO 0.55 -2.14 1.55 -0.65 0.98 0.00 0.00 173.24 173.52 3gol h PRO 479 N -1.19 0.20 -0.06 4.02 0.11 -1.95 -1.98 132.00 131.15 3gol h PRO 479 Ca -0.43 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3gol h PRO 479 Cb 1.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gol h PRO 479 CO 0.50 0.77 0.04 0.78 -0.21 0.00 0.00 178.00 179.88 3gol h GLY 480 N 1.57 0.09 0.94 -0.55 0.00 -1.98 0.36 103.07 103.51 3gol h GLY 480 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3gol h GLY 480 CO 0.10 0.03 0.16 -2.09 0.00 0.00 0.00 176.54 174.74 3gol h GLU 481 N 0.07 0.49 -0.27 4.80 4.57 -1.92 0.18 114.58 122.50 3gol h GLU 481 Ca 0.02 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3gol h GLU 481 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3gol h GLU 481 CO -0.00 0.45 0.08 0.82 -1.18 0.00 0.00 179.01 179.18 3gol h ILE 482 N 0.41 1.20 -0.29 2.32 2.04 -1.25 -0.79 117.51 121.15 3gol h ILE 482 Ca 0.12 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3gol h ILE 482 Cb 0.13 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3gol h ILE 482 CO -0.01 0.21 0.05 0.78 0.00 0.00 0.00 178.15 179.18 3gol h ASN 483 N 0.27 0.00 0.17 1.72 -0.26 -0.01 0.80 115.58 118.28 3gol h ASN 483 Ca 0.09 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3gol h ASN 483 Cb 0.24 0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3gol h ASN 483 CO -0.00 0.04 -0.11 -0.09 -1.06 0.00 0.00 177.43 176.20 3gol h ARG 484 N 0.16 -0.27 -0.62 0.81 2.43 -0.42 0.21 114.38 116.67 3gol h ARG 484 Ca 0.13 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 3gol h ARG 484 Cb 0.15 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 3gol h ARG 484 CO -0.18 -0.18 0.21 0.28 -1.51 0.00 0.00 179.97 178.58 3gol h VAL 485 N -0.28 0.73 -0.26 0.20 2.07 -0.98 -0.31 116.25 117.42 3gol h VAL 485 Ca -0.01 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3gol h VAL 485 Cb 0.24 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3gol h VAL 485 CO 0.01 0.07 -0.18 0.00 0.02 0.00 0.00 177.57 177.49 3gol h ALA 486 N 1.44 0.38 -0.37 1.67 0.00 -0.12 -0.40 119.26 121.86 3gol h ALA 486 Ca 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gol h ALA 486 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3gol h ALA 486 CO -0.34 0.29 0.12 0.66 0.00 0.00 0.00 179.25 179.98 3gol h SER 487 N 0.31 0.49 -0.30 0.00 4.64 -0.31 -2.55 113.55 115.82 3gol h SER 487 Ca 0.05 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3gol h SER 487 Cb 0.71 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3gol h SER 487 CO 0.05 0.47 -0.31 0.00 -0.87 0.00 0.00 176.83 176.17 3gol h LEU 489 N 0.50 0.35 0.00 0.00 3.38 -0.69 -1.67 115.31 117.19 3gol h LEU 489 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gol h LEU 489 Cb 0.89 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3gol h LEU 489 CO 0.08 0.25 -0.00 0.03 0.09 0.00 0.00 178.44 178.89 3gol h ARG 490 N 0.41 -0.00 -0.94 1.13 3.08 -1.34 0.19 114.38 116.91 3gol h ARG 490 Ca 0.13 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.32 3gol h ARG 490 Cb 0.02 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.92 3gol h ARG 490 CO -0.03 0.82 -0.40 -0.22 -1.07 0.00 0.00 179.97 179.07 3gol h LYS 491 N -0.83 -0.02 -0.00 0.04 3.64 -1.11 -1.80 116.57 116.49 3gol h LYS 491 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gol h LYS 491 Cb 0.82 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3gol h LYS 491 CO 0.00 -0.02 -0.22 1.28 -2.27 0.00 0.00 179.45 178.23 3gol n LEU 492 N -5.45 0.31 -1.46 5.20 4.77 -0.64 -4.89 117.00 114.83 3gol n LEU 492 Ca 0.09 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3gol n LEU 492 Cb 0.38 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3gol n LEU 492 CO -0.12 0.07 -0.17 0.61 -1.33 0.00 0.00 177.39 176.45 3gol n GLY 493 N 1.45 0.16 3.71 -0.72 0.00 -0.52 -1.80 105.19 107.48 3gol n GLY 493 Ca 0.08 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3gol n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gol s VAL 494 N -2.65 4.68 0.58 1.61 1.01 0.56 -1.84 120.40 124.34 3gol s VAL 494 Ca 0.00 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 3gol s VAL 494 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3gol s VAL 494 CO 0.00 0.14 1.08 -0.81 0.00 0.00 0.00 175.10 175.51 3gol n PRO 495 N 3.96 1.11 -1.85 2.72 -0.04 -1.26 -4.52 135.00 135.12 3gol n PRO 495 Ca 0.07 0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 63.62 3gol n PRO 495 Cb 0.50 -2.28 0.03 0.00 -0.04 0.00 0.00 33.50 31.72 3gol n PRO 495 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3gol s PRO 496 N -2.79 3.03 0.30 0.54 0.04 -1.26 -4.80 135.00 130.07 3gol s PRO 496 Ca 0.75 1.24 0.06 0.00 0.04 0.00 0.00 61.00 63.08 3gol s PRO 496 Cb -0.42 -1.99 0.75 0.00 0.04 0.00 0.00 34.50 32.88 3gol s PRO 496 CO 0.47 -1.04 1.75 -0.07 0.04 0.00 0.00 177.00 178.15 3gol h LEU 497 N 0.07 0.64 -0.83 -3.56 3.38 -1.99 0.29 115.31 113.31 3gol h LEU 497 Ca -0.46 0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.73 3gol h LEU 497 Cb 1.23 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.88 3gol h LEU 497 CO 0.56 0.17 -0.41 -1.14 0.09 0.00 0.00 178.44 177.71 3gol n ARG 498 N -4.86 -0.28 -0.27 1.13 0.63 -1.26 -0.69 116.66 111.06 3gol n ARG 498 Ca 0.23 1.27 -0.02 0.00 -0.92 0.00 0.00 57.85 58.41 3gol n ARG 498 Cb 0.62 -1.88 0.10 0.00 0.45 0.00 0.00 32.46 31.75 3gol n ARG 498 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3gol h THR 499 N 0.00 1.07 -0.40 5.15 2.02 -0.77 -2.46 112.91 117.52 3gol h THR 499 Ca 0.21 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 3gol h THR 499 Cb 0.42 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3gol h THR 499 CO -0.80 0.16 -0.10 -0.50 0.37 0.00 0.00 175.52 174.64 3gol h TRP 500 N 0.88 0.77 -0.68 3.16 4.06 -0.77 -1.34 115.95 122.03 3gol h TRP 500 Ca 0.31 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 3gol h TRP 500 Cb 0.08 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.00 3gol h TRP 500 CO -0.04 0.78 0.35 -0.09 -3.56 0.00 0.00 178.44 175.87 3gol h ARG 501 N 0.65 0.96 -0.39 0.49 2.43 -0.58 0.14 114.38 118.08 3gol h ARG 501 Ca 0.11 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3gol h ARG 501 Cb 0.55 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3gol h ARG 501 CO 0.03 0.75 0.14 0.45 -1.51 0.00 0.00 179.97 179.83 3gol h HIS 502 N 0.94 0.61 -0.36 2.20 3.86 -0.95 -2.15 115.15 119.30 3gol h HIS 502 Ca 0.24 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3gol h HIS 502 Cb 0.09 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3gol h HIS 502 CO 0.00 0.56 0.22 0.00 0.86 0.00 0.00 177.93 179.56 3gol h ARG 503 N 0.48 0.43 -0.92 2.45 3.08 -1.01 -2.96 114.38 115.92 3gol h ARG 503 Ca 0.13 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.21 3gol h ARG 503 Cb 0.22 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 3gol h ARG 503 CO -0.01 0.28 0.58 0.00 -1.07 0.00 0.00 179.97 179.76 3gol h ALA 504 N 1.15 1.25 -0.55 0.04 0.00 -0.47 0.31 119.26 121.00 3gol h ALA 504 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3gol h ALA 504 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3gol h ALA 504 CO -0.06 0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.94 3gol h ARG 505 N 1.08 0.48 0.09 0.00 3.08 -1.23 0.42 114.38 118.30 3gol h ARG 505 Ca 0.39 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.29 3gol h ARG 505 Cb 0.13 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.08 3gol h ARG 505 CO -0.16 0.32 -0.55 1.03 -1.07 0.00 0.00 179.97 179.54 3gol h SER 506 N 0.49 0.29 -0.05 7.04 0.87 -0.97 -1.76 113.55 119.46 3gol h SER 506 Ca 0.24 -0.96 0.04 0.00 -1.23 0.00 0.00 61.79 59.87 3gol h SER 506 Cb 0.32 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 3gol h SER 506 CO -0.07 1.26 -0.27 0.58 -0.53 0.00 0.00 176.83 177.80 3gol h VAL 507 N -0.60 0.38 -0.49 2.23 2.07 -0.88 -1.72 116.25 117.24 3gol h VAL 507 Ca -0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.52 3gol h VAL 507 Cb 1.41 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 3gol h VAL 507 CO 0.09 0.00 -0.09 -0.09 0.02 0.00 0.00 177.57 177.50 3gol h ARG 508 N -0.39 0.03 -0.33 1.57 2.43 -0.20 0.28 114.38 117.76 3gol h ARG 508 Ca 0.08 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3gol h ARG 508 Cb 0.50 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3gol h ARG 508 CO -0.27 0.02 0.15 0.00 -1.51 0.00 0.00 179.97 178.36 3gol h ALA 509 N 1.47 0.40 -0.59 2.80 0.00 -1.10 -2.68 119.26 119.56 3gol h ALA 509 Ca 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3gol h ALA 509 Cb 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gol h ALA 509 CO -0.47 -0.23 0.12 0.87 0.00 0.00 0.00 179.25 179.53 3gol h LYS 510 N 0.31 0.96 -0.86 0.00 1.57 -0.20 -2.56 116.57 115.80 3gol h LYS 510 Ca 0.14 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3gol h LYS 510 Cb 0.08 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3gol h LYS 510 CO -0.12 0.90 0.56 -0.07 -0.57 0.00 0.00 179.45 180.16 3gol h LEU 511 N 0.87 0.96 -0.73 2.94 3.38 -0.94 -3.05 115.31 118.73 3gol h LEU 511 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gol h LEU 511 Cb 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3gol h LEU 511 CO 0.01 0.67 0.35 -0.07 0.09 0.00 0.00 178.44 179.50 3gol h LEU 512 N 1.12 0.96 -1.85 1.67 3.38 -1.12 -1.00 115.31 118.47 3gol h LEU 512 Ca 0.33 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3gol h LEU 512 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3gol h LEU 512 CO -0.09 0.82 0.21 0.77 0.09 0.00 0.00 178.44 180.24 3gol h SER 513 N 1.03 0.16 0.40 -0.43 4.64 -1.37 -2.70 113.55 115.27 3gol h SER 513 Ca 0.25 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 3gol h SER 513 Cb 0.11 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3gol h SER 513 CO -0.03 0.11 -0.26 1.56 -0.87 0.00 0.00 176.83 177.34 3gol h GLN 514 N 0.18 0.00 -1.71 4.77 4.20 -1.16 -3.49 115.11 117.90 3gol h GLN 514 Ca 0.14 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.04 3gol h GLN 514 Cb 0.32 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 3gol h GLN 514 CO -0.02 0.26 -0.43 0.41 -0.67 0.00 0.00 178.83 178.38 3gol n GLY 515 N -0.55 -2.17 7.00 3.46 0.00 -1.02 -4.83 105.19 107.09 3gol n GLY 515 Ca -0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3gol n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gol n GLY 516 N -3.28 2.54 0.33 -0.02 0.00 -1.26 -3.17 105.19 100.33 3gol n GLY 516 Ca -0.02 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.66 3gol n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gol h ARG 517 N 0.00 0.48 -0.09 1.61 3.08 -1.95 -2.13 114.38 115.38 3gol h ARG 517 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3gol h ARG 517 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3gol h ARG 517 CO 0.00 0.32 -0.01 0.00 -1.07 0.00 0.00 179.97 179.21 3gol h ALA 518 N 1.73 0.13 -0.56 0.04 0.00 -1.86 -1.99 119.26 116.75 3gol h ALA 518 Ca 0.20 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3gol h ALA 518 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gol h ALA 518 CO -0.05 -0.18 0.38 0.00 0.00 0.00 0.00 179.25 179.41 3gol h ALA 519 N 0.72 2.14 -0.31 0.00 0.00 -1.27 -1.24 119.26 119.30 3gol h ALA 519 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3gol h ALA 519 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gol h ALA 519 CO 0.01 -0.28 -0.08 1.15 0.00 0.00 0.00 179.25 180.05 3gol h THR 520 N 0.29 1.28 -0.53 0.00 2.02 -1.06 -1.80 112.91 113.10 3gol h THR 520 Ca 0.26 -1.13 0.10 0.00 0.77 0.00 0.00 66.41 66.42 3gol h THR 520 Cb 0.66 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 68.36 3gol h THR 520 CO -0.06 0.36 0.01 0.00 0.37 0.00 0.00 175.52 176.20 3gol h GLY 522 N 0.13 0.60 1.07 0.00 0.00 -0.90 -1.44 103.07 102.53 3gol h GLY 522 Ca 0.27 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 3gol h GLY 522 CO -0.44 0.04 -0.14 3.21 0.00 0.00 0.00 176.54 179.21 3gol h ARG 523 N 0.36 0.96 0.00 4.80 3.08 -1.07 -3.15 114.38 119.36 3gol h ARG 523 Ca 0.21 -0.38 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 3gol h ARG 523 Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3gol h ARG 523 CO -0.20 1.05 -0.82 1.88 -1.07 0.00 0.00 179.97 180.81 3gol h TYR 524 N 0.82 0.00 -0.07 3.04 -1.99 -1.40 -3.20 116.97 114.16 3gol h TYR 524 Ca 0.12 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 3gol h TYR 524 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 3gol h TYR 524 CO 0.05 0.75 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.83 3gol h LEU 525 N -1.00 0.09 -3.01 3.88 3.38 -1.43 -3.23 115.31 114.00 3gol h LEU 525 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gol h LEU 525 Cb 0.88 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3gol h LEU 525 CO -0.10 0.18 0.00 0.49 0.09 0.00 0.00 178.44 179.09 3gol n PHE 526 N -4.41 0.06 0.31 1.13 3.72 -1.19 -4.59 117.46 112.50 3gol n PHE 526 Ca -0.02 -0.77 0.19 0.00 -0.05 0.00 0.00 57.45 56.81 3gol n PHE 526 Cb 0.18 -0.11 1.05 0.00 -0.94 0.00 0.00 39.48 39.65 3gol n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3gol h ASN 527 N 0.15 0.00 0.92 4.37 -1.24 -1.57 0.64 115.58 118.86 3gol h ASN 527 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3gol h ASN 527 Cb 0.80 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.85 3gol h ASN 527 CO 0.01 0.00 0.00 4.11 -1.29 0.00 0.00 177.43 180.26 3gol h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.81 -3.24 115.95 116.66 3gol h TRP 528 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3gol h TRP 528 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 3gol h TRP 528 CO 0.00 0.00 -0.17 0.00 -1.28 0.00 0.00 178.44 176.99 3gol h ALA 529 N 2.09 0.92 -2.89 0.11 0.00 -1.21 -3.46 119.26 114.81 3gol h ALA 529 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3gol h ALA 529 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 3gol h ALA 529 CO 0.00 0.00 -0.64 0.14 0.00 0.00 0.00 179.25 178.75 3gol s VAL 530 N -3.23 3.87 -0.18 0.00 -7.23 -1.22 -4.86 120.40 107.55 3gol s VAL 530 Ca 0.06 -1.33 -0.25 0.00 -1.81 0.00 0.00 61.98 58.65 3gol s VAL 530 Cb 0.06 -2.94 -0.22 0.00 0.56 0.00 0.00 36.38 33.84 3gol s VAL 530 CO 0.69 -0.09 0.48 0.08 -0.31 0.00 0.00 175.10 175.94 3gol h ARG 531 N 2.72 0.00 -5.70 4.82 0.11 -1.90 -3.39 114.38 111.04 3gol h ARG 531 Ca -0.47 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.22 3gol h ARG 531 Cb 1.20 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.22 3gol h ARG 531 CO 0.59 1.00 1.12 0.99 0.10 0.00 0.00 179.97 183.77 3gol s THR 532 N -2.29 3.62 0.32 0.08 2.01 -1.26 -4.93 115.64 113.18 3gol s THR 532 Ca -0.24 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 3gol s THR 532 Cb 0.02 -4.48 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 3gol s THR 532 CO 0.64 -1.22 0.78 -0.54 -0.69 0.00 0.00 174.62 173.59 3gol s LYS 533 N 6.23 4.13 0.30 4.92 1.02 -1.26 -5.07 119.74 130.01 3gol s LYS 533 Ca 0.64 0.82 -0.12 0.00 0.02 0.00 0.00 55.97 57.33 3gol s LYS 533 Cb -0.02 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.69 3gol s LYS 533 CO 0.04 0.19 0.68 -1.17 -0.92 0.00 0.00 175.35 174.17 3gol s LEU 534 N -2.74 4.06 -0.01 3.17 2.96 -1.26 -5.04 118.68 119.82 3gol s LEU 534 Ca 0.53 1.14 -0.27 0.00 -0.22 0.00 0.00 54.13 55.31 3gol s LEU 534 Cb -0.12 -3.94 -0.04 0.00 0.50 0.00 0.00 46.19 42.59 3gol s LEU 534 CO 0.18 -0.19 0.83 -0.54 -1.32 0.00 0.00 176.35 175.31 3gol s LYS 535 N -3.06 4.51 -0.47 1.98 -0.14 -1.26 -5.01 119.74 116.29 3gol s LYS 535 Ca 0.51 1.15 -0.01 0.00 -1.36 0.00 0.00 55.97 56.26 3gol s LYS 535 Cb -0.10 -3.43 0.13 0.00 -1.68 0.00 0.00 37.83 32.74 3gol s LYS 535 CO 0.21 0.08 0.26 -0.51 -0.76 0.00 0.00 175.35 174.63 3gol s LEU 536 N 0.62 5.08 0.53 3.17 1.43 -1.26 -5.07 118.68 123.18 3gol s LEU 536 Ca 0.43 -2.40 -0.04 0.00 -1.03 0.00 0.00 54.13 51.10 3gol s LEU 536 Cb -0.20 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3gol s LEU 536 CO 0.23 -0.44 0.81 0.42 0.23 0.00 0.00 176.35 177.61 3gol s THR 537 N 0.60 3.89 0.94 5.49 -4.23 -1.26 -5.05 115.64 116.02 3gol s THR 537 Ca 0.12 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.37 3gol s THR 537 Cb -0.22 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 70.25 3gol s THR 537 CO -0.04 -0.45 0.93 -2.65 -0.54 0.00 0.00 174.62 171.87 3gol n PRO 538 N -2.37 -0.53 -3.54 3.99 -0.02 -1.26 -4.98 135.00 126.27 3gol n PRO 538 Ca 0.03 -0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 3gol n PRO 538 Cb 0.57 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 3gol n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gol s ILE 539 N -2.56 4.31 0.27 4.25 1.01 -1.26 -4.98 121.20 122.24 3gol s ILE 539 Ca 0.64 -1.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 3gol s ILE 539 Cb -0.22 -3.78 0.38 0.00 0.01 0.00 0.00 42.46 38.85 3gol s ILE 539 CO 0.61 -0.71 1.59 -0.65 0.00 0.00 0.00 174.94 175.78 3gol h PRO 540 N 8.48 0.03 -1.12 2.79 0.11 -2.04 0.30 132.00 140.55 3gol h PRO 540 Ca -0.22 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.20 3gol h PRO 540 Cb 1.08 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3gol h PRO 540 CO 0.85 0.02 0.77 0.00 -0.21 0.00 0.00 178.00 179.42 3gol h ALA 541 N 1.88 2.73 0.00 -0.75 0.00 -2.02 -2.96 119.26 118.13 3gol h ALA 541 Ca 0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3gol h ALA 541 Cb 0.84 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gol h ALA 541 CO -0.87 -1.10 0.00 0.00 0.00 0.00 0.00 179.25 177.28 3gol n ALA 542 N -2.63 1.64 -3.55 0.00 0.00 0.11 -5.12 120.51 110.95 3gol n ALA 542 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 3gol n ALA 542 Cb 1.09 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 3gol n ALA 542 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gol s SER 543 N -1.35 6.29 0.31 0.00 0.01 -1.12 -4.84 113.70 113.00 3gol s SER 543 Ca 0.00 -3.53 0.05 0.00 1.31 0.00 0.00 55.95 53.77 3gol s SER 543 Cb 0.00 -2.00 -0.06 0.00 0.21 0.00 0.00 66.02 64.17 3gol s SER 543 CO 0.00 -0.25 0.02 -0.76 0.41 0.00 0.00 173.24 172.66 3gol s LEU 547 N -1.09 2.31 0.00 2.44 2.01 -1.26 -5.21 118.68 117.88 3gol s LEU 547 Ca 0.26 -1.32 0.00 0.00 0.01 0.00 0.00 54.13 53.09 3gol s LEU 547 Cb -0.09 -0.48 0.00 0.00 0.01 0.00 0.00 46.19 45.63 3gol s LEU 547 CO -0.10 -0.52 0.41 -0.24 1.01 0.00 0.00 176.35 176.91 3gol n SER 548 N -0.66 0.00 -4.07 2.29 2.88 -1.26 -4.15 113.62 108.65 3gol n SER 548 Ca -0.03 0.41 -0.41 0.00 -1.33 0.00 0.00 58.87 57.51 3gol n SER 548 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 3gol n SER 548 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gol n GLY 549 N -0.55 3.09 0.05 0.46 0.00 -1.26 -4.50 105.19 102.48 3gol n GLY 549 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 3gol n GLY 549 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gol n TRP 550 N 8.12 0.00 -3.20 1.61 7.02 -1.26 -4.69 117.44 125.04 3gol n TRP 550 Ca 0.50 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.75 3gol n TRP 550 Cb 0.42 -0.61 -0.06 0.00 -2.42 0.00 0.00 31.31 28.64 3gol n TRP 550 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gol n PHE 551 N -2.39 0.00 -0.05 -5.99 3.72 -1.26 -4.89 117.46 106.60 3gol n PHE 551 Ca -0.18 -3.65 -0.09 0.00 -0.05 0.00 0.00 57.45 53.49 3gol n PHE 551 Cb 0.81 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 3gol n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3gol n VAL 552 N 1.14 1.30 -4.15 -4.37 0.31 -1.21 -4.27 118.33 107.08 3gol n VAL 552 Ca 0.22 0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 64.53 3gol n VAL 552 Cb 0.55 -2.00 -0.07 0.00 -0.91 0.00 0.00 33.84 31.41 3gol n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gol s ALA 553 N -2.52 0.93 -0.16 3.52 0.00 -1.25 -3.84 121.76 118.43 3gol s ALA 553 Ca -0.20 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.16 3gol s ALA 553 Cb 0.04 1.28 -0.02 0.00 0.00 0.00 0.00 23.12 24.42 3gol s ALA 553 CO 0.29 -0.72 -0.06 0.20 0.00 0.00 0.00 175.76 175.47 3gol s GLY 554 N -3.20 1.65 -0.28 0.00 0.00 -1.26 -4.93 107.32 99.29 3gol s GLY 554 Ca 0.34 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 44.22 3gol s GLY 554 CO 0.17 0.01 1.32 -1.72 0.00 0.00 0.00 173.10 172.88 3gol n TYR 555 N 3.82 1.37 -1.76 1.90 4.01 0.03 -4.41 117.16 122.12 3gol n TYR 555 Ca -0.18 -1.86 -0.42 0.00 -0.16 0.00 0.00 57.90 55.28 3gol n TYR 555 Cb 0.52 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 3gol n TYR 555 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3gol s SER 556 N -3.11 6.44 0.00 7.72 0.01 -1.25 -1.27 113.70 122.23 3gol s SER 556 Ca 0.46 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.47 3gol s SER 556 Cb 0.40 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3gol s SER 556 CO -0.01 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.28 3gol n GLY 557 N 4.07 3.09 1.59 3.44 0.00 -1.26 -3.75 105.19 112.37 3gol n GLY 557 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3gol n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gol n GLY 558 N -1.82 -3.01 2.75 -0.02 0.00 -0.40 -2.95 105.19 99.74 3gol n GLY 558 Ca 0.00 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 3gol n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gol n ASP 559 N -4.02 3.79 -4.46 1.61 2.03 -1.26 -4.92 116.55 109.32 3gol n ASP 559 Ca 0.07 -3.55 -0.33 0.00 0.52 0.00 0.00 54.79 51.50 3gol n ASP 559 Cb 0.28 -0.56 -0.13 0.00 -0.72 0.00 0.00 41.12 39.99 3gol n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gol s ILE 560 N -4.19 3.33 0.04 5.18 -1.09 -1.26 -3.90 121.20 119.30 3gol s ILE 560 Ca 0.47 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 58.32 3gol s ILE 560 Cb 0.31 -2.38 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3gol s ILE 560 CO -0.13 0.55 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.59 3gol s TYR 561 N -0.13 0.60 -0.18 3.97 5.04 0.43 -1.03 117.35 126.05 3gol s TYR 561 Ca -0.00 -0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 54.11 3gol s TYR 561 Cb -0.13 -0.37 0.08 0.00 0.35 0.00 0.00 41.96 41.89 3gol s TYR 561 CO 0.03 -0.09 0.19 -1.01 -1.34 0.00 0.00 175.55 173.33 3gol s HIS 562 N -1.30 -0.19 -2.05 4.97 3.76 0.53 -4.68 115.29 116.32 3gol s HIS 562 Ca -0.10 0.21 0.32 0.00 -0.15 0.00 0.00 55.06 55.33 3gol s HIS 562 Cb -0.09 -0.39 1.82 0.00 1.11 0.00 0.00 32.58 35.03 3gol s HIS 562 CO 0.00 -0.54 2.18 -1.13 -0.85 0.00 0.00 174.74 174.40