#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 4.30 0.35 4.33 1.00 -1.26 -2.05 119.30 125.98 3gol s MET 2 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 55.69 56.63 3gol s MET 2 Cb 0.00 -3.25 0.65 0.00 0.00 0.00 0.00 34.83 32.24 3gol s MET 2 CO 0.00 0.62 1.83 0.66 0.00 0.00 0.00 175.02 178.13 3gol h SER 3 N 4.49 0.23 -5.01 3.03 4.64 -1.36 -3.38 113.55 116.19 3gol h SER 3 Ca -0.49 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 60.65 3gol h SER 3 Cb 1.21 -0.06 -0.19 0.00 -0.31 0.00 0.00 62.40 63.05 3gol h SER 3 CO 0.64 0.48 -0.33 -0.31 -0.87 0.00 0.00 176.83 176.45 3gol s TYR 4 N -4.49 -0.09 -0.05 4.77 1.51 -1.26 -0.93 117.35 116.81 3gol s TYR 4 Ca -0.05 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 3gol s TYR 4 Cb 0.15 0.05 -0.00 0.00 -0.11 0.00 0.00 41.96 42.05 3gol s TYR 4 CO 0.75 -0.39 -0.17 0.99 -1.11 0.00 0.00 175.55 175.61 3gol s THR 5 N -1.68 1.47 -0.00 -0.71 2.01 0.28 -4.84 115.64 112.16 3gol s THR 5 Ca -0.11 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.21 3gol s THR 5 Cb -0.04 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 3gol s THR 5 CO 0.02 0.42 -0.13 0.26 -0.69 0.00 0.00 174.62 174.50 3gol s TRP 6 N 0.14 2.72 -0.04 4.92 0.52 -1.26 -0.81 118.94 125.13 3gol s TRP 6 Ca -0.06 -0.15 0.08 0.00 0.02 0.00 0.00 56.10 55.99 3gol s TRP 6 Cb -0.13 -1.57 -0.24 0.00 -1.15 0.00 0.00 33.47 30.39 3gol s TRP 6 CO 0.03 0.28 0.66 1.79 0.02 0.00 0.00 176.95 179.72 3gol h THR 7 N 4.01 0.87 0.00 2.01 1.35 -1.75 -3.48 112.91 115.92 3gol h THR 7 Ca -0.48 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 3gol h THR 7 Cb 1.16 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3gol h THR 7 CO 0.51 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.98 3gol n GLY 8 N 1.62 1.77 3.76 5.82 0.00 -1.26 -5.10 105.19 111.80 3gol n GLY 8 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3gol n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gol s ALA 9 N -1.47 2.60 0.25 4.61 0.00 -1.26 -5.01 121.76 121.47 3gol s ALA 9 Ca 0.00 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 3gol s ALA 9 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3gol s ALA 9 CO 0.00 -1.07 0.58 -0.51 0.00 0.00 0.00 175.76 174.76 3gol s LEU 10 N -3.96 4.14 -0.51 0.00 1.43 -1.26 -4.85 118.68 113.67 3gol s LEU 10 Ca 0.76 0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 3gol s LEU 10 Cb -0.29 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.20 3gol s LEU 10 CO 0.32 -0.10 1.32 -0.63 0.23 0.00 0.00 176.35 177.49 3gol s ILE 11 N -1.86 3.94 0.27 -0.59 -1.09 -1.26 -4.73 121.20 115.88 3gol s ILE 11 Ca 0.48 0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 59.72 3gol s ILE 11 Cb -0.11 -4.46 -0.06 0.00 -1.58 0.00 0.00 42.46 36.25 3gol s ILE 11 CO 0.21 -1.06 0.56 0.42 -1.23 0.00 0.00 174.94 173.85 3gol s THR 12 N 5.39 4.97 1.15 2.92 -4.23 -1.26 -4.91 115.64 119.67 3gol s THR 12 Ca 0.52 0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 61.11 3gol s THR 12 Cb -0.10 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.32 3gol s THR 12 CO 0.29 -0.23 1.17 -2.16 -0.54 0.00 0.00 174.62 173.15 3gol s PRO 13 N -3.26 -0.82 -0.01 3.99 0.04 -1.26 -4.57 135.00 129.11 3gol s PRO 13 Ca 0.46 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.30 3gol s PRO 13 Cb -0.11 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 3gol s PRO 13 CO 0.26 -3.42 -0.01 0.00 0.04 0.00 0.00 177.00 173.87 3gol n ALA 15 N -2.44 0.00 -1.60 0.00 0.00 -1.26 -5.14 120.51 110.08 3gol n ALA 15 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 3gol n ALA 15 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.00 2.58 -0.05 0.00 0.00 -1.26 -5.06 121.76 115.97 3gol s ALA 16 Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.56 3gol s ALA 16 Cb 0.00 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 3gol s ALA 16 CO 0.00 -1.06 -0.16 -1.21 0.00 0.00 0.00 175.76 173.33 3gol s GLU 17 N -3.93 1.74 -0.00 0.00 2.02 -1.26 -5.12 118.70 112.15 3gol s GLU 17 Ca 0.67 -0.57 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 3gol s GLU 17 Cb -0.20 -1.50 -0.06 0.00 0.10 0.00 0.00 34.13 32.47 3gol s GLU 17 CO 0.37 0.21 0.51 -1.21 0.02 0.00 0.00 175.26 175.16 3gol s GLU 18 N 0.12 4.16 -0.25 1.61 2.02 -1.26 -4.97 118.70 120.14 3gol s GLU 18 Ca -0.05 0.58 -0.08 0.00 0.02 0.00 0.00 54.97 55.44 3gol s GLU 18 Cb -0.12 -3.29 -0.12 0.00 0.10 0.00 0.00 34.13 30.69 3gol s GLU 18 CO 0.02 0.51 -0.28 -1.13 0.02 0.00 0.00 175.26 174.40 3gol n SER 19 N 2.34 1.91 -4.93 -0.19 3.41 -1.26 -4.58 113.62 110.32 3gol n SER 19 Ca -0.10 0.16 -0.25 0.00 -0.26 0.00 0.00 58.87 58.41 3gol n SER 19 Cb 0.51 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.47 3.52 -0.16 4.33 1.02 -1.26 0.11 119.74 124.83 3gol s LYS 20 Ca -0.34 -0.17 -0.24 0.00 0.02 0.00 0.00 55.97 55.24 3gol s LYS 20 Cb 0.12 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3gol s LYS 20 CO 0.48 0.10 0.77 -1.17 -0.92 0.00 0.00 175.35 174.61 3gol s LEU 21 N -4.23 4.19 0.36 3.17 2.96 -1.26 -4.90 118.68 118.97 3gol s LEU 21 Ca 0.42 1.10 -0.27 0.00 -0.22 0.00 0.00 54.13 55.16 3gol s LEU 21 Cb -0.10 -3.14 -0.09 0.00 0.50 0.00 0.00 46.19 43.36 3gol s LEU 21 CO 0.36 -0.33 1.24 -2.84 -1.32 0.00 0.00 176.35 173.46 3gol s PRO 22 N 1.93 4.20 -1.01 0.98 0.02 -1.26 -4.90 135.00 134.96 3gol s PRO 22 Ca 0.36 2.04 -0.24 0.00 0.02 0.00 0.00 61.00 63.19 3gol s PRO 22 Cb -0.17 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 3gol s PRO 22 CO 0.13 -0.26 1.90 -1.50 -0.33 0.00 0.00 177.00 176.94 3gol s ILE 23 N -1.25 3.53 -0.07 2.83 1.10 -1.26 -4.88 121.20 121.19 3gol s ILE 23 Ca 0.53 -0.62 -0.10 0.00 -0.51 0.00 0.00 60.65 59.95 3gol s ILE 23 Cb -0.36 -4.29 -0.05 0.00 0.15 0.00 0.00 42.46 37.92 3gol s ILE 23 CO 0.46 -1.06 0.24 0.21 -2.11 0.00 0.00 174.94 172.69 3gol s ASN 24 N 7.23 6.55 0.24 4.50 2.47 -1.26 -5.01 114.94 129.66 3gol s ASN 24 Ca 0.67 0.66 -0.15 0.00 0.42 0.00 0.00 52.86 54.47 3gol s ASN 24 Cb -0.04 -2.14 0.30 0.00 -1.45 0.00 0.00 41.25 37.92 3gol s ASN 24 CO 0.03 0.38 1.56 -0.65 -3.72 0.00 0.00 177.10 174.69 3gol h PRO 25 N 4.89 -0.00 0.00 0.43 0.11 -1.99 -1.04 132.00 134.39 3gol h PRO 25 Ca -0.54 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.34 3gol h PRO 25 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3gol h PRO 25 CO 0.59 -0.00 -1.37 -0.07 -0.21 0.00 0.00 178.00 176.94 3gol h LEU 26 N -0.00 0.00 0.52 2.35 3.38 -1.96 -2.77 115.31 116.83 3gol h LEU 26 Ca 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3gol h LEU 26 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3gol h LEU 26 CO -1.00 0.91 -0.49 -1.28 0.09 0.00 0.00 178.44 176.67 3gol h SER 27 N 0.00 -1.33 -1.00 -0.43 0.87 -1.82 -2.92 113.55 106.93 3gol h SER 27 Ca -0.17 0.10 0.27 0.00 -1.23 0.00 0.00 61.79 60.76 3gol h SER 27 Cb 1.84 0.43 -0.06 0.00 -0.44 0.00 0.00 62.40 64.17 3gol h SER 27 CO 0.09 -0.66 0.68 -1.13 -0.53 0.00 0.00 176.83 175.28 3gol h ASN 28 N -1.01 0.22 -0.68 6.23 -1.24 -1.23 0.47 115.58 118.34 3gol h ASN 28 Ca -0.06 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.03 3gol h ASN 28 Cb 0.87 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.87 3gol h ASN 28 CO -0.05 0.06 0.41 -1.28 -1.29 0.00 0.00 177.43 175.28 3gol h SER 29 N 0.20 0.64 0.07 1.15 0.87 -1.30 -3.14 113.55 112.04 3gol h SER 29 Ca 0.51 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.08 3gol h SER 29 Cb 1.64 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3gol h SER 29 CO -0.13 0.43 -0.03 0.25 -0.53 0.00 0.00 176.83 176.82 3gol h LEU 30 N 0.77 -0.08 -7.27 2.23 5.85 0.05 -3.46 115.31 113.40 3gol h LEU 30 Ca 0.29 -0.37 -0.24 0.00 0.84 0.00 0.00 57.88 58.40 3gol h LEU 30 Cb 0.10 0.02 -0.33 0.00 0.37 0.00 0.00 40.66 40.82 3gol h LEU 30 CO -0.14 0.34 -0.56 -0.22 -0.34 0.00 0.00 178.44 177.51 3gol s LEU 31 N -9.36 0.00 0.04 2.25 0.20 -0.85 -4.32 118.68 106.64 3gol s LEU 31 Ca -0.15 0.47 0.23 0.00 0.69 0.00 0.00 54.13 55.37 3gol s LEU 31 Cb 0.02 0.54 0.15 0.00 -0.43 0.00 0.00 46.19 46.47 3gol s LEU 31 CO 0.63 -0.22 1.13 0.54 -0.29 0.00 0.00 176.35 178.14 3gol n ARG 32 N 5.02 0.20 -2.28 1.98 1.74 -1.19 -4.20 116.66 117.93 3gol n ARG 32 Ca -0.11 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 3gol n ARG 32 Cb 0.51 -1.58 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 3gol n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gol n HIS 33 N -1.84 2.66 -0.34 -1.55 8.25 -1.16 -4.87 115.22 116.37 3gol n HIS 33 Ca 0.03 -2.71 0.19 0.00 -0.26 0.00 0.00 57.72 54.97 3gol n HIS 33 Cb 0.41 -1.58 0.41 0.00 1.12 0.00 0.00 29.99 30.35 3gol n HIS 33 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gol h HIS 34 N 4.51 0.97 -0.18 4.41 2.07 -1.88 0.75 115.15 125.81 3gol h HIS 34 Ca 0.62 0.03 0.05 0.00 -2.85 0.00 0.00 60.37 58.22 3gol h HIS 34 Cb 0.33 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 3gol h HIS 34 CO 1.48 0.03 0.13 -0.91 -3.07 0.00 0.00 177.93 175.59 3gol h ASN 35 N 0.53 0.00 -0.90 3.10 -0.26 -1.90 -0.87 115.58 115.28 3gol h ASN 35 Ca 0.66 0.00 0.19 0.00 -0.56 0.00 0.00 56.30 56.59 3gol h ASN 35 Cb 1.32 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.51 3gol h ASN 35 CO -0.48 0.00 0.59 0.24 -1.06 0.00 0.00 177.43 176.72 3gol h MET 36 N 0.00 0.46 -6.45 0.81 2.86 -1.25 -3.43 114.93 107.94 3gol h MET 36 Ca 0.08 -0.03 -0.54 0.00 -2.06 0.00 0.00 59.70 57.16 3gol h MET 36 Cb 0.35 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3gol h MET 36 CO -0.00 0.30 0.09 0.08 1.06 0.00 0.00 176.91 178.44 3gol s VAL 37 N -5.49 4.54 -0.09 -2.22 1.01 -0.33 -1.79 120.40 116.02 3gol s VAL 37 Ca -0.09 1.42 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 3gol s VAL 37 Cb 0.23 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3gol s VAL 37 CO 0.78 0.43 0.28 -0.72 0.00 0.00 0.00 175.10 175.87 3gol s TYR 38 N -1.26 -0.28 0.15 5.22 1.13 -0.78 -4.40 117.35 117.13 3gol s TYR 38 Ca 0.36 0.68 -0.16 0.00 -1.41 0.00 0.00 57.07 56.54 3gol s TYR 38 Cb -0.20 0.10 -0.07 0.00 -1.10 0.00 0.00 41.96 40.69 3gol s TYR 38 CO 0.22 -0.17 0.58 0.00 -2.51 0.00 0.00 175.55 173.67 3gol s ALA 39 N -0.04 3.55 0.19 9.51 0.00 0.29 -1.11 121.76 134.16 3gol s ALA 39 Ca -0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.60 3gol s ALA 39 Cb -0.02 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 3gol s ALA 39 CO 0.01 0.43 0.85 0.95 0.00 0.00 0.00 175.76 178.00 3gol s THR 40 N -1.44 4.26 0.42 0.00 -4.23 -0.42 -4.48 115.64 109.76 3gol s THR 40 Ca 0.38 1.87 0.00 0.00 -1.18 0.00 0.00 61.69 62.76 3gol s THR 40 Cb -0.16 -4.22 -0.00 0.00 1.34 0.00 0.00 72.50 69.46 3gol s THR 40 CO 0.19 0.50 0.01 0.35 -0.54 0.00 0.00 174.62 175.13 3gol n THR 41 N 1.64 0.00 0.63 3.99 -2.24 -1.26 -4.08 114.28 112.96 3gol n THR 41 Ca -0.04 -1.99 0.09 0.00 -2.27 0.00 0.00 64.05 59.84 3gol n THR 41 Cb 0.48 0.42 0.41 0.00 -2.10 0.00 0.00 70.33 69.53 3gol n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gol n SER 42 N -1.28 0.06 0.23 3.42 3.41 -1.26 -2.86 113.62 115.34 3gol n SER 42 Ca -0.17 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.02 3gol n SER 42 Cb 0.53 -0.52 0.54 0.00 -0.26 0.00 0.00 64.21 64.49 3gol n SER 42 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gol h ARG 43 N 0.00 0.00 -0.01 4.33 3.08 -1.95 -2.87 114.38 116.95 3gol h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gol h ARG 43 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gol h ARG 43 CO 0.00 0.20 -0.06 -1.13 -1.07 0.00 0.00 179.97 177.91 3gol n SER 44 N -4.12 1.50 -0.25 7.04 3.41 -1.13 -4.54 113.62 115.53 3gol n SER 44 Ca -0.02 -1.41 -0.02 0.00 -0.26 0.00 0.00 58.87 57.16 3gol n SER 44 Cb 0.27 0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.34 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 4.23 0.94 0.00 7.33 0.00 -1.65 -2.73 119.26 127.39 3gol h ALA 45 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gol h ALA 45 Cb 0.54 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gol h ALA 45 CO 0.00 0.18 -0.02 0.66 0.00 0.00 0.00 179.25 180.07 3gol h SER 46 N 0.83 0.00 -0.54 0.00 4.64 -1.82 0.12 113.55 116.78 3gol h SER 46 Ca 0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 3gol h SER 46 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3gol h SER 46 CO -0.13 0.02 0.19 0.25 -0.87 0.00 0.00 176.83 176.29 3gol h LEU 47 N 0.00 0.77 -0.24 5.97 5.85 -1.82 -2.53 115.31 123.30 3gol h LEU 47 Ca -0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3gol h LEU 47 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3gol h LEU 47 CO 0.00 0.75 0.07 -0.09 -0.34 0.00 0.00 178.44 178.83 3gol h ARG 48 N 0.75 0.39 -0.56 1.25 9.65 -0.86 -2.42 114.38 122.57 3gol h ARG 48 Ca 0.18 -0.09 0.11 0.00 -1.10 0.00 0.00 59.98 59.08 3gol h ARG 48 Cb 0.24 -0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 28.66 3gol h ARG 48 CO -0.01 0.48 -0.16 1.96 2.80 0.00 0.00 179.97 185.05 3gol h GLN 49 N 0.22 -0.02 -0.31 0.20 4.20 -1.15 0.12 115.11 118.37 3gol h GLN 49 Ca 0.08 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.86 3gol h GLN 49 Cb 0.26 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.97 3gol h GLN 49 CO -0.00 -0.01 -0.21 0.87 -0.67 0.00 0.00 178.83 178.81 3gol h LYS 50 N -0.02 -0.17 -0.16 1.46 1.79 -1.27 -1.14 116.57 117.07 3gol h LYS 50 Ca 0.27 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.80 3gol h LYS 50 Cb 0.43 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3gol h LYS 50 CO -0.59 -0.12 0.15 0.87 -1.08 0.00 0.00 179.45 178.69 3gol h LYS 51 N -0.18 0.00 0.00 3.15 1.57 -0.33 -3.00 116.57 117.78 3gol h LYS 51 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3gol h LYS 51 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3gol h LYS 51 CO -0.42 0.00 -1.58 0.28 -0.57 0.00 0.00 179.45 177.16 3gol n VAL 52 N -4.01 0.00 -3.09 0.50 0.31 -0.40 -4.87 118.33 106.76 3gol n VAL 52 Ca 0.01 -0.33 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 3gol n VAL 52 Cb 0.27 0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 33.42 3gol n VAL 52 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gol s THR 53 N -3.04 4.84 0.27 2.52 2.01 -0.48 -4.72 115.64 117.05 3gol s THR 53 Ca -0.04 0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.17 3gol s THR 53 Cb 0.11 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.50 3gol s THR 53 CO 0.69 -0.45 0.71 0.72 -0.69 0.00 0.00 174.62 175.60 3gol s PHE 54 N 2.81 -0.19 0.17 4.92 -0.12 -1.26 -4.95 117.98 119.35 3gol s PHE 54 Ca 0.24 -0.25 -0.19 0.00 -0.05 0.00 0.00 56.93 56.68 3gol s PHE 54 Cb -0.14 0.70 -0.08 0.00 -0.63 0.00 0.00 43.02 42.87 3gol s PHE 54 CO 0.17 -1.22 0.66 0.34 -0.05 0.00 0.00 175.22 175.11 3gol s ASP 55 N -2.91 7.04 0.04 1.98 2.15 -1.26 -1.02 116.67 122.68 3gol s ASP 55 Ca 0.11 1.33 0.09 0.00 0.43 0.00 0.00 52.55 54.50 3gol s ASP 55 Cb -0.06 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 3gol s ASP 55 CO 0.06 0.12 -0.25 -0.13 -0.17 0.00 0.00 175.17 174.80 3gol s ARG 56 N -1.70 1.72 -0.03 4.34 3.00 -0.87 -4.97 118.95 120.44 3gol s ARG 56 Ca 0.38 -1.05 0.03 0.00 0.00 0.00 0.00 55.73 55.09 3gol s ARG 56 Cb -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 34.95 32.91 3gol s ARG 56 CO 0.21 0.48 -0.12 -0.51 0.00 0.00 0.00 175.30 175.36 3gol s LEU 57 N -1.16 1.83 -0.08 2.53 1.43 -1.26 -3.50 118.68 118.47 3gol s LEU 57 Ca 0.11 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3gol s LEU 57 Cb -0.10 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.47 3gol s LEU 57 CO 0.02 0.10 -0.03 -1.58 0.23 0.00 0.00 176.35 175.08 3gol s GLN 58 N 0.12 0.96 -0.21 1.70 0.74 -1.26 -3.95 119.66 117.76 3gol s GLN 58 Ca -0.03 -0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.34 3gol s GLN 58 Cb -0.09 -1.15 0.05 0.00 1.10 0.00 0.00 33.01 32.92 3gol s GLN 58 CO 0.01 -0.24 -0.11 0.08 -0.55 0.00 0.00 175.29 174.48 3gol s VAL 59 N 1.65 1.79 0.29 1.34 1.01 -0.27 -5.04 120.40 121.17 3gol s VAL 59 Ca 0.01 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.87 3gol s VAL 59 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3gol s VAL 59 CO -0.05 0.13 0.43 -0.76 0.00 0.00 0.00 175.10 174.85 3gol s LEU 60 N 1.32 4.16 0.00 3.92 1.43 -1.26 -4.41 118.68 123.84 3gol s LEU 60 Ca -0.03 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3gol s LEU 60 Cb -0.17 -2.92 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 3gol s LEU 60 CO -0.08 -0.22 0.04 -0.90 0.23 0.00 0.00 176.35 175.42 3gol n ASP 61 N -1.55 -0.10 0.21 2.29 5.75 -1.26 -5.05 116.55 116.85 3gol n ASP 61 Ca -0.06 -1.21 0.06 0.00 -0.01 0.00 0.00 54.79 53.57 3gol n ASP 61 Cb 0.57 0.21 0.49 0.00 -1.03 0.00 0.00 41.12 41.36 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 0.21 0.00 -0.28 -1.12 5.19 -2.00 -2.70 116.42 115.73 3gol h ASP 62 Ca -0.03 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.22 3gol h ASP 62 Cb 0.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3gol h ASP 62 CO 0.04 0.27 -0.44 0.45 -3.12 0.00 0.00 179.24 176.44 3gol h HIS 63 N 0.00 1.02 -0.60 4.55 3.86 -1.97 0.08 115.15 122.09 3gol h HIS 63 Ca -0.00 -0.32 -0.03 0.00 -1.16 0.00 0.00 60.37 58.85 3gol h HIS 63 Cb 0.55 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 3gol h HIS 63 CO 0.00 1.13 0.26 -0.92 0.86 0.00 0.00 177.93 179.25 3gol h TYR 64 N 0.67 0.90 -0.12 2.45 3.20 -1.81 -2.57 116.97 119.69 3gol h TYR 64 Ca 0.04 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 3gol h TYR 64 Cb 1.02 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 39.02 3gol h TYR 64 CO 0.06 0.71 -0.50 0.00 -1.64 0.00 0.00 178.16 176.79 3gol h ARG 65 N 0.83 0.55 -0.72 1.82 3.08 -1.32 -0.91 114.38 117.71 3gol h ARG 65 Ca 0.20 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.83 3gol h ARG 65 Cb 0.18 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3gol h ARG 65 CO -0.02 1.06 0.47 -0.44 -1.07 0.00 0.00 179.97 179.97 3gol h ASP 66 N 0.16 0.81 -0.53 7.04 3.32 -1.02 0.56 116.42 126.76 3gol h ASP 66 Ca -0.03 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 3gol h ASP 66 Cb 1.14 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3gol h ASP 66 CO 0.10 0.58 -0.10 0.58 -1.72 0.00 0.00 179.24 178.68 3gol h VAL 67 N 0.96 1.27 0.21 -1.35 2.07 -1.44 -1.33 116.25 116.63 3gol h VAL 67 Ca 0.27 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3gol h VAL 67 Cb -0.09 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3gol h VAL 67 CO -0.07 0.44 -0.12 0.25 0.02 0.00 0.00 177.57 178.09 3gol h LEU 68 N 0.89 -0.30 -0.60 2.57 6.46 -0.53 -0.97 115.31 122.83 3gol h LEU 68 Ca 0.14 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 3gol h LEU 68 Cb 0.67 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.60 3gol h LEU 68 CO 0.05 -0.20 0.12 0.11 -0.62 0.00 0.00 178.44 177.90 3gol h LYS 69 N -0.31 0.24 -0.54 1.25 1.57 -0.77 -1.18 116.57 116.83 3gol h LYS 69 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3gol h LYS 69 Cb 0.26 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3gol h LYS 69 CO 0.03 0.16 0.25 0.93 -0.57 0.00 0.00 179.45 180.24 3gol h GLU 70 N 0.25 0.76 -0.11 3.15 5.08 -0.78 -1.83 114.58 121.08 3gol h GLU 70 Ca 0.32 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3gol h GLU 70 Cb 0.48 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3gol h GLU 70 CO -0.42 0.60 -0.17 0.52 -1.00 0.00 0.00 179.01 178.54 3gol h MET 71 N 0.75 0.31 -0.71 2.33 2.86 -0.45 -3.19 114.93 116.83 3gol h MET 71 Ca 0.19 -0.19 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3gol h MET 71 Cb 0.10 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3gol h MET 71 CO -0.02 0.76 0.36 0.87 1.06 0.00 0.00 176.91 179.94 3gol h LYS 72 N -0.12 0.60 -0.56 1.72 1.57 -1.09 -2.14 116.57 116.56 3gol h LYS 72 Ca 0.01 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 3gol h LYS 72 Cb 0.74 -0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.81 3gol h LYS 72 CO 0.04 0.40 -0.14 0.00 -0.57 0.00 0.00 179.45 179.18 3gol h ALA 73 N 1.42 0.37 -0.16 3.86 0.00 -1.36 0.72 119.26 124.11 3gol h ALA 73 Ca 0.35 0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.36 3gol h ALA 73 Cb 0.35 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3gol h ALA 73 CO -0.26 -0.43 -0.38 0.87 0.00 0.00 0.00 179.25 179.05 3gol h LYS 74 N 0.00 0.34 -0.30 0.00 1.79 -1.45 -2.77 116.57 114.18 3gol h LYS 74 Ca 0.27 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.52 3gol h LYS 74 Cb 0.41 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3gol h LYS 74 CO -0.57 0.68 -0.05 0.00 -1.08 0.00 0.00 179.45 178.43 3gol h ALA 75 N 1.31 1.36 -1.20 3.86 0.00 -0.49 -2.11 119.26 121.98 3gol h ALA 75 Ca 0.03 -0.22 0.35 0.00 0.00 0.00 0.00 54.91 55.07 3gol h ALA 75 Cb 0.81 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3gol h ALA 75 CO 0.06 0.44 0.97 0.77 0.00 0.00 0.00 179.25 181.49 3gol h SER 76 N 0.46 0.00 1.10 0.00 0.02 -0.62 -0.90 113.55 113.60 3gol h SER 76 Ca 0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3gol h SER 76 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3gol h SER 76 CO 0.02 0.00 -0.20 0.74 -1.14 0.00 0.00 176.83 176.25 3gol h THR 77 N 0.00 0.44 -3.80 -2.27 2.02 -1.50 -3.45 112.91 104.36 3gol h THR 77 Ca 0.57 -1.12 -0.48 0.00 0.77 0.00 0.00 66.41 66.14 3gol h THR 77 Cb 2.50 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.70 3gol h THR 77 CO -0.01 0.19 0.28 -0.69 0.37 0.00 0.00 175.52 175.66 3gol s VAL 78 N -3.54 4.32 -0.18 3.16 1.01 -0.34 -4.98 120.40 119.85 3gol s VAL 78 Ca 0.02 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 3gol s VAL 78 Cb 0.09 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.56 3gol s VAL 78 CO 0.64 0.16 -0.03 -0.75 0.00 0.00 0.00 175.10 175.11 3gol s LYS 79 N -2.04 1.22 -0.08 2.72 2.20 -1.26 -1.24 119.74 121.26 3gol s LYS 79 Ca 0.48 -0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 55.47 3gol s LYS 79 Cb -0.18 -2.04 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 3gol s LYS 79 CO 0.23 -0.50 0.24 0.00 -0.36 0.00 0.00 175.35 174.96 3gol s ALA 80 N 1.67 3.80 0.56 3.13 0.00 -0.31 -4.91 121.76 125.71 3gol s ALA 80 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 3gol s ALA 80 Cb -0.16 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 3gol s ALA 80 CO -0.07 0.54 0.97 0.15 0.00 0.00 0.00 175.76 177.35 3gol s LYS 81 N -0.97 3.71 -0.20 0.00 -0.14 -1.26 -4.47 119.74 116.42 3gol s LYS 81 Ca 0.18 0.72 -0.04 0.00 -1.36 0.00 0.00 55.97 55.47 3gol s LYS 81 Cb -0.14 -2.16 -0.02 0.00 -1.68 0.00 0.00 37.83 33.84 3gol s LYS 81 CO 0.07 -0.40 -0.02 -1.17 -0.76 0.00 0.00 175.35 173.08 3gol s LEU 82 N -4.70 3.14 0.48 3.17 2.96 -1.26 -4.61 118.68 117.85 3gol s LEU 82 Ca 0.55 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 54.01 3gol s LEU 82 Cb -0.11 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 3gol s LEU 82 CO 0.45 0.05 1.01 -0.76 -1.32 0.00 0.00 176.35 175.78 3gol s LEU 83 N 1.06 3.84 1.08 -0.68 1.02 -0.38 -5.03 118.68 119.58 3gol s LEU 83 Ca 0.02 1.83 -0.17 0.00 0.02 0.00 0.00 54.13 55.83 3gol s LEU 83 Cb -0.14 -4.55 0.23 0.00 0.02 0.00 0.00 46.19 41.75 3gol s LEU 83 CO 0.01 -0.67 1.17 -0.94 0.02 0.00 0.00 176.35 175.94 3gol s SER 84 N -2.15 2.03 -0.11 2.29 1.04 -1.26 -4.77 113.70 110.76 3gol s SER 84 Ca 0.65 0.60 -0.26 0.00 0.48 0.00 0.00 55.95 57.42 3gol s SER 84 Cb -0.14 -0.86 -0.23 0.00 0.10 0.00 0.00 66.02 64.89 3gol s SER 84 CO 0.20 -3.44 0.83 0.40 0.98 0.00 0.00 173.24 172.21 3gol h ILE 85 N -2.11 1.58 -0.94 -1.02 2.04 -1.97 -2.26 117.51 112.83 3gol h ILE 85 Ca -0.46 -1.99 0.15 0.00 1.00 0.00 0.00 64.86 63.56 3gol h ILE 85 Cb 1.28 2.89 -0.16 0.00 -0.74 0.00 0.00 36.82 40.09 3gol h ILE 85 CO 0.41 0.50 -0.36 -0.33 0.00 0.00 0.00 178.15 178.37 3gol h GLU 86 N -0.90 -0.02 -0.38 2.37 3.07 -1.97 0.29 114.58 117.04 3gol h GLU 86 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3gol h GLU 86 Cb 0.83 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3gol h GLU 86 CO 0.00 -0.01 0.19 0.93 -1.40 0.00 0.00 179.01 178.72 3gol h GLU 87 N -0.02 0.55 0.00 2.33 5.08 -1.94 -2.86 114.58 117.71 3gol h GLU 87 Ca 0.35 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3gol h GLU 87 Cb 0.61 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3gol h GLU 87 CO -0.95 0.47 -0.33 0.00 -1.00 0.00 0.00 179.01 177.21 3gol h ALA 88 N 1.04 1.13 -0.02 3.43 0.00 -0.56 -3.06 119.26 121.22 3gol h ALA 88 Ca 0.13 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3gol h ALA 88 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gol h ALA 88 CO -0.02 0.41 -0.85 0.00 0.00 0.00 0.00 179.25 178.79 3gol h LYS 90 N 0.21 0.00 -0.47 0.00 1.57 -1.40 -2.66 116.57 113.81 3gol h LYS 90 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3gol h LYS 90 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 3gol h LYS 90 CO 0.14 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 3gol n LEU 91 N -3.45 0.47 -4.45 2.94 4.77 -1.20 -4.80 117.00 111.27 3gol n LEU 91 Ca -0.01 -0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.38 3gol n LEU 91 Cb 0.34 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 3gol n LEU 91 CO 0.31 0.12 -0.29 -0.89 -1.33 0.00 0.00 177.39 175.31 3gol s THR 92 N -1.51 4.22 0.46 -5.08 2.01 -1.00 -2.03 115.64 112.70 3gol s THR 92 Ca 0.00 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 3gol s THR 92 Cb 0.00 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 3gol s THR 92 CO 0.00 0.37 1.42 -2.16 -0.69 0.00 0.00 174.62 173.56 3gol s PRO 93 N 1.41 3.63 0.61 4.92 0.04 -1.26 -4.83 135.00 139.52 3gol s PRO 93 Ca 0.05 2.39 0.38 0.00 0.04 0.00 0.00 61.00 63.86 3gol s PRO 93 Cb -0.15 -2.61 1.95 0.00 0.04 0.00 0.00 34.50 33.73 3gol s PRO 93 CO 0.03 -0.85 2.22 -1.35 0.04 0.00 0.00 177.00 177.08 3gol h PRO 94 N 2.24 0.00 -0.73 0.56 0.11 -1.97 -2.00 132.00 130.22 3gol h PRO 94 Ca -0.51 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.13 3gol h PRO 94 Cb 1.27 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.10 3gol h PRO 94 CO 0.61 0.02 0.04 0.72 -0.21 0.00 0.00 178.00 179.18 3gol n HIS 95 N -3.27 2.42 -1.90 0.65 8.25 -1.26 -4.12 115.22 115.99 3gol n HIS 95 Ca -0.02 -2.25 -0.33 0.00 -0.26 0.00 0.00 57.72 54.85 3gol n HIS 95 Cb 0.16 -0.78 0.03 0.00 1.12 0.00 0.00 29.99 30.52 3gol n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gol s SER 96 N -2.55 5.31 0.11 0.41 0.15 -0.75 -4.94 113.70 111.43 3gol s SER 96 Ca 0.54 2.03 -0.31 0.00 0.70 0.00 0.00 55.95 58.91 3gol s SER 96 Cb 0.45 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 62.11 3gol s SER 96 CO 0.02 -1.49 1.61 0.00 1.20 0.00 0.00 173.24 174.58 3gol s ALA 97 N -2.21 3.72 0.82 5.45 0.00 -1.26 -4.19 121.76 124.08 3gol s ALA 97 Ca 0.68 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.78 3gol s ALA 97 Cb -0.21 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.33 3gol s ALA 97 CO 0.37 -0.96 1.18 0.36 0.00 0.00 0.00 175.76 176.71 3gol n LYS 98 N 4.90 0.13 -3.08 0.00 2.85 -1.26 -4.52 118.16 117.19 3gol n LYS 98 Ca 0.15 0.12 -0.29 0.00 -1.05 0.00 0.00 58.31 57.24 3gol n LYS 98 Cb 0.40 -2.42 -0.03 0.00 -0.65 0.00 0.00 35.03 32.33 3gol n LYS 98 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3gol s SER 99 N -2.14 6.47 0.13 -5.58 0.15 -0.31 -4.73 113.70 107.68 3gol s SER 99 Ca 0.73 0.92 0.18 0.00 0.70 0.00 0.00 55.95 58.48 3gol s SER 99 Cb -0.29 -2.23 0.77 0.00 -1.71 0.00 0.00 66.02 62.56 3gol s SER 99 CO 0.52 -0.31 1.55 0.29 1.20 0.00 0.00 173.24 176.49 3gol n LYS 100 N -1.17 0.09 -1.28 5.44 5.02 -1.26 -3.51 118.16 121.49 3gol n LYS 100 Ca 0.00 0.36 -0.31 0.00 -2.02 0.00 0.00 58.31 56.34 3gol n LYS 100 Cb 0.54 -1.68 0.10 0.00 -0.02 0.00 0.00 35.03 33.97 3gol n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3gol n PHE 101 N -1.86 3.11 -2.99 2.13 3.01 -1.26 -4.90 117.46 114.71 3gol n PHE 101 Ca 0.02 -2.69 -0.12 0.00 1.01 0.00 0.00 57.45 55.68 3gol n PHE 101 Cb 0.18 -1.31 0.04 0.00 -0.01 0.00 0.00 39.48 38.38 3gol n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gol n GLY 102 N -0.92 0.20 3.50 1.37 0.00 -1.23 -4.95 105.19 103.16 3gol n GLY 102 Ca 0.61 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 3gol n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gol s TYR 103 N -3.11 -0.48 0.05 1.61 -0.85 -1.26 -4.98 117.35 108.33 3gol s TYR 103 Ca 0.27 0.58 0.01 0.00 -0.52 0.00 0.00 57.07 57.41 3gol s TYR 103 Cb -0.12 0.49 -0.00 0.00 0.38 0.00 0.00 41.96 42.71 3gol s TYR 103 CO 0.34 -0.59 0.04 0.41 -1.52 0.00 0.00 175.55 174.22 3gol n GLY 104 N 0.24 3.89 0.23 5.49 0.00 -1.26 -1.16 105.19 112.62 3gol n GLY 104 Ca -0.14 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 1.15 0.74 -0.70 4.61 0.00 -1.82 -0.73 119.26 122.51 3gol h ALA 105 Ca -0.04 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3gol h ALA 105 Cb 0.19 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 17.69 3gol h ALA 105 CO 0.06 0.06 -0.10 -0.22 0.00 0.00 0.00 179.25 179.05 3gol h LYS 106 N 0.68 0.04 -0.44 0.00 3.64 -1.90 -1.47 116.57 117.11 3gol h LYS 106 Ca 0.23 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3gol h LYS 106 Cb 0.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3gol h LYS 106 CO -0.11 0.03 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.53 3gol h ASP 107 N 0.04 0.81 -0.14 4.20 3.32 -1.55 -1.11 116.42 121.98 3gol h ASP 107 Ca 0.36 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3gol h ASP 107 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3gol h ASP 107 CO -0.68 0.95 0.09 0.58 -1.72 0.00 0.00 179.24 178.46 3gol h VAL 108 N 0.73 1.03 -0.67 -1.35 2.07 -0.92 0.13 116.25 117.27 3gol h VAL 108 Ca 0.12 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3gol h VAL 108 Cb 0.63 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3gol h VAL 108 CO 0.04 0.03 0.25 0.03 0.02 0.00 0.00 177.57 177.94 3gol h ARG 109 N 0.18 0.99 -0.00 1.57 3.08 -0.82 -1.88 114.38 117.51 3gol h ARG 109 Ca 0.05 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3gol h ARG 109 Cb -0.02 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3gol h ARG 109 CO -0.02 0.82 -0.21 0.09 -1.07 0.00 0.00 179.97 179.59 3gol n ASN 110 N -4.29 0.35 -2.03 7.04 5.03 -0.46 -4.80 115.26 116.10 3gol n ASN 110 Ca 0.06 -0.14 -0.08 0.00 0.87 0.00 0.00 54.58 55.28 3gol n ASN 110 Cb 0.19 -0.09 0.04 0.00 -1.02 0.00 0.00 39.78 38.89 3gol n ASN 110 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3gol n LEU 111 N -1.29 -2.85 -4.72 3.41 4.77 -0.51 -4.97 117.00 110.85 3gol n LEU 111 Ca 0.09 -0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 3gol n LEU 111 Cb 0.32 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.74 3gol n LEU 111 CO 0.28 0.19 1.31 -1.20 -1.33 0.00 0.00 177.39 176.64 3gol n SER 112 N -1.70 3.82 -0.31 -1.43 7.64 0.34 -4.83 113.62 117.15 3gol n SER 112 Ca -0.11 1.08 0.12 0.00 1.01 0.00 0.00 58.87 60.98 3gol n SER 112 Cb 0.57 -1.56 0.29 0.00 -1.01 0.00 0.00 64.21 62.50 3gol n SER 112 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3gol h SER 113 N 6.16 0.45 -0.03 6.43 4.64 -1.93 0.15 113.55 129.41 3gol h SER 113 Ca -0.44 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3gol h SER 113 Cb 1.22 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3gol h SER 113 CO 0.91 0.09 0.02 -0.09 -0.87 0.00 0.00 176.83 176.89 3gol h ARG 114 N 0.50 0.04 -0.01 4.77 2.43 -1.96 0.40 114.38 120.57 3gol h ARG 114 Ca 0.54 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.71 3gol h ARG 114 Cb 0.96 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3gol h ARG 114 CO -0.47 0.04 0.00 0.00 -1.51 0.00 0.00 179.97 178.03 3gol h ALA 115 N 1.01 0.01 -0.41 2.80 0.00 -1.54 -1.52 119.26 119.60 3gol h ALA 115 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3gol h ALA 115 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gol h ALA 115 CO -0.00 -0.45 -0.31 -0.39 0.00 0.00 0.00 179.25 178.10 3gol h VAL 116 N -0.07 1.27 -0.55 0.00 -1.51 -0.58 -1.47 116.25 113.34 3gol h VAL 116 Ca 0.00 -1.47 0.11 0.00 -1.23 0.00 0.00 66.70 64.11 3gol h VAL 116 Cb 0.08 1.28 -0.09 0.00 -2.13 0.00 0.00 31.29 30.43 3gol h VAL 116 CO -0.00 0.50 0.02 0.78 -1.23 0.00 0.00 177.57 177.64 3gol h ASN 117 N 0.77 -0.20 -0.75 4.19 2.35 -0.15 0.33 115.58 122.13 3gol h ASN 117 Ca 0.08 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 3gol h ASN 117 Cb 0.88 0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.43 3gol h ASN 117 CO 0.08 -0.07 0.50 -0.74 -1.65 0.00 0.00 177.43 175.55 3gol h HIS 118 N 0.14 0.91 -0.05 1.19 2.76 -0.76 -1.12 115.15 118.21 3gol h HIS 118 Ca 0.28 0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 58.23 3gol h HIS 118 Cb 0.44 -0.31 0.02 0.00 1.55 0.00 0.00 27.41 29.11 3gol h HIS 118 CO -0.32 0.54 -0.95 0.82 -1.30 0.00 0.00 177.93 176.72 3gol h ILE 119 N 0.96 1.28 -0.43 6.26 2.04 0.06 -0.20 117.51 127.48 3gol h ILE 119 Ca 0.29 -2.16 -0.02 0.00 1.00 0.00 0.00 64.86 63.97 3gol h ILE 119 Cb -0.01 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3gol h ILE 119 CO -0.08 0.67 0.18 0.03 0.00 0.00 0.00 178.15 178.95 3gol h ARG 120 N 0.44 0.64 -0.73 2.37 3.08 -0.37 -2.15 114.38 117.66 3gol h ARG 120 Ca -0.10 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3gol h ARG 120 Cb 1.60 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.51 3gol h ARG 120 CO 0.19 0.59 0.45 0.66 -1.07 0.00 0.00 179.97 180.79 3gol h SER 121 N 0.55 0.87 -0.24 7.04 4.64 -1.14 0.95 113.55 126.21 3gol h SER 121 Ca 0.14 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 3gol h SER 121 Cb 0.18 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3gol h SER 121 CO -0.01 0.67 0.05 0.58 -0.87 0.00 0.00 176.83 177.25 3gol h VAL 122 N 1.00 1.17 0.00 0.95 2.07 -0.85 0.18 116.25 120.77 3gol h VAL 122 Ca 0.26 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3gol h VAL 122 Cb -0.05 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3gol h VAL 122 CO -0.05 0.22 -0.00 -0.25 0.02 0.00 0.00 177.57 177.51 3gol h TRP 123 N 0.48 -0.01 -0.97 1.57 2.91 -0.82 -2.38 115.95 116.73 3gol h TRP 123 Ca 0.11 -0.00 0.18 0.00 1.13 0.00 0.00 58.89 60.31 3gol h TRP 123 Cb 0.23 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 28.79 3gol h TRP 123 CO 0.01 0.86 0.61 0.93 -1.03 0.00 0.00 178.44 179.82 3gol h GLU 124 N -0.97 0.66 -0.10 2.65 5.08 -0.72 -1.88 114.58 119.30 3gol h GLU 124 Ca -0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3gol h GLU 124 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3gol h GLU 124 CO 0.00 0.43 -0.33 0.22 -1.00 0.00 0.00 179.01 178.33 3gol h ASP 125 N 0.68 0.19 0.28 1.42 3.58 -0.86 -1.23 116.42 120.48 3gol h ASP 125 Ca 0.53 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.86 3gol h ASP 125 Cb 0.93 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 3gol h ASP 125 CO -0.29 0.52 -0.23 -0.07 -2.88 0.00 0.00 179.24 176.29 3gol h LEU 126 N 0.17 0.00 0.04 2.28 4.07 -0.81 0.64 115.31 121.69 3gol h LEU 126 Ca 0.02 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.73 3gol h LEU 126 Cb 0.67 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 3gol h LEU 126 CO 0.05 0.23 -1.25 -0.07 -1.08 0.00 0.00 178.44 176.33 3gol h LEU 127 N 0.00 0.13 0.00 1.67 3.38 -1.15 -3.37 115.31 115.97 3gol h LEU 127 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gol h LEU 127 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gol h LEU 127 CO 0.03 1.13 -0.96 -0.62 0.09 0.00 0.00 178.44 178.11 3gol n GLU 128 N -3.34 0.39 -4.13 1.13 -0.58 -0.52 -4.87 120.64 108.72 3gol n GLU 128 Ca -0.07 0.04 -0.22 0.00 -0.42 0.00 0.00 57.16 56.49 3gol n GLU 128 Cb 0.99 -1.68 -0.17 0.00 -0.57 0.00 0.00 31.44 30.01 3gol n GLU 128 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3gol s ASP 129 N -4.42 1.43 0.00 1.62 -1.08 0.20 -5.03 116.67 109.38 3gol s ASP 129 Ca 0.03 -0.18 0.04 0.00 -0.52 0.00 0.00 52.55 51.92 3gol s ASP 129 Cb 0.13 -0.58 0.03 0.00 -1.46 0.00 0.00 42.92 41.03 3gol s ASP 129 CO 0.78 -0.07 0.60 0.35 0.52 0.00 0.00 175.17 177.34 3gol n THR 130 N 4.35 0.00 0.00 1.71 -2.24 -1.26 -4.61 114.28 112.23 3gol n THR 130 Ca -0.19 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3gol n THR 130 Cb 0.51 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3gol n THR 130 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3gol n GLU 131 N 0.13 0.52 -1.64 -0.78 0.28 -1.26 -4.75 120.64 113.14 3gol n GLU 131 Ca 0.02 0.00 -0.52 0.00 -0.16 0.00 0.00 57.16 56.51 3gol n GLU 131 Cb 0.10 -0.62 -0.06 0.00 1.43 0.00 0.00 31.44 32.30 3gol n GLU 131 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3gol n THR 132 N -1.24 0.41 -1.66 3.84 -1.04 -1.26 -4.74 114.28 108.59 3gol n THR 132 Ca 0.00 -0.13 -0.47 0.00 -2.04 0.00 0.00 64.05 61.41 3gol n THR 132 Cb 0.12 -1.64 -0.04 0.00 -1.82 0.00 0.00 70.33 66.94 3gol n THR 132 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3gol n PRO 133 N 6.67 1.97 -3.10 -2.82 -0.02 -1.26 -4.75 135.00 131.69 3gol n PRO 133 Ca 0.28 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 62.10 3gol n PRO 133 Cb 0.23 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 3gol n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gol s ILE 134 N 0.62 4.54 0.70 4.25 1.01 0.31 -4.93 121.20 127.69 3gol s ILE 134 Ca 0.77 1.39 -0.11 0.00 0.00 0.00 0.00 60.65 62.70 3gol s ILE 134 Cb -0.71 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 37.82 3gol s ILE 134 CO 0.42 0.35 1.06 -0.62 0.00 0.00 0.00 174.94 176.16 3gol s ASP 135 N -1.42 5.31 -0.05 3.58 2.15 -1.26 -4.35 116.67 120.63 3gol s ASP 135 Ca 0.39 1.66 -0.07 0.00 0.43 0.00 0.00 52.55 54.95 3gol s ASP 135 Cb -0.19 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 3gol s ASP 135 CO 0.22 -1.49 0.18 0.42 -0.17 0.00 0.00 175.17 174.34 3gol s THR 136 N -2.98 0.03 0.30 1.71 -4.23 -1.02 -4.48 115.64 104.96 3gol s THR 136 Ca 0.59 -0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.70 3gol s THR 136 Cb -0.15 -0.35 -0.09 0.00 1.34 0.00 0.00 72.50 73.26 3gol s THR 136 CO 0.54 -0.14 0.70 -0.89 -0.54 0.00 0.00 174.62 174.29 3gol s THR 137 N -0.46 4.72 -0.07 3.99 2.01 0.23 -0.23 115.64 125.83 3gol s THR 137 Ca -0.06 0.88 0.02 0.00 0.31 0.00 0.00 61.69 62.84 3gol s THR 137 Cb -0.04 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.86 3gol s THR 137 CO 0.01 -0.14 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.20 3gol s ILE 138 N -1.92 0.96 0.01 1.82 2.07 -0.80 -1.21 121.20 122.12 3gol s ILE 138 Ca 0.52 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 3gol s ILE 138 Cb -0.11 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 3gol s ILE 138 CO 0.18 0.32 -0.08 -0.04 -1.91 0.00 0.00 174.94 173.41 3gol s MET 139 N 0.90 0.64 -0.04 3.50 -1.94 -0.53 -4.46 119.30 117.37 3gol s MET 139 Ca -0.11 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.19 3gol s MET 139 Cb -0.15 -0.60 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 3gol s MET 139 CO 0.01 0.16 1.24 0.00 -0.01 0.00 0.00 175.02 176.42 3gol s ALA 140 N -0.40 3.51 0.10 3.03 0.00 -1.26 -1.29 121.76 125.44 3gol s ALA 140 Ca 0.01 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 3gol s ALA 140 Cb -0.04 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 3gol s ALA 140 CO -0.00 -0.78 0.74 0.21 0.00 0.00 0.00 175.76 175.93 3gol s LYS 141 N 2.21 4.49 -0.33 0.00 2.20 -0.16 -4.81 119.74 123.34 3gol s LYS 141 Ca 0.57 1.06 -0.13 0.00 -0.36 0.00 0.00 55.97 57.12 3gol s LYS 141 Cb -0.26 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3gol s LYS 141 CO 0.23 0.45 0.23 0.45 -0.36 0.00 0.00 175.35 176.36 3gol s SER 142 N -0.66 6.05 -0.02 1.43 0.15 -1.26 -4.09 113.70 115.31 3gol s SER 142 Ca 0.36 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.70 3gol s SER 142 Cb -0.21 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 3gol s SER 142 CO 0.24 -0.20 -0.13 -1.61 1.20 0.00 0.00 173.24 172.74 3gol s GLU 143 N 1.73 1.11 0.15 5.44 2.02 -1.26 -4.87 118.70 123.03 3gol s GLU 143 Ca 0.06 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 54.52 3gol s GLU 143 Cb -0.17 -1.05 -0.06 0.00 0.10 0.00 0.00 34.13 32.94 3gol s GLU 143 CO 0.11 0.25 0.44 0.54 0.02 0.00 0.00 175.26 176.62 3gol s VAL 144 N -0.20 5.07 0.25 2.63 0.11 -1.26 -1.30 120.40 125.70 3gol s VAL 144 Ca 0.03 0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 59.24 3gol s VAL 144 Cb -0.06 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.16 3gol s VAL 144 CO -0.00 0.08 0.51 -0.36 -3.33 0.00 0.00 175.10 172.00 3gol s PHE 145 N -1.63 0.29 -0.08 1.54 0.40 -0.27 -4.86 117.98 113.38 3gol s PHE 145 Ca 0.41 -0.67 -0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3gol s PHE 145 Cb -0.12 0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.62 3gol s PHE 145 CO 0.22 -1.02 0.05 0.00 0.70 0.00 0.00 175.22 175.16 3gol s VAL 147 N -0.97 2.84 0.34 0.00 -7.23 -0.74 -4.95 120.40 109.69 3gol s VAL 147 Ca 0.15 0.65 0.07 0.00 -1.81 0.00 0.00 61.98 61.04 3gol s VAL 147 Cb -0.12 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 3gol s VAL 147 CO 0.05 0.00 0.32 0.00 -0.31 0.00 0.00 175.10 175.16 3gol s GLN 148 N -2.68 2.74 0.00 4.82 -2.07 -1.26 -5.00 119.66 116.21 3gol s GLN 148 Ca 0.64 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 3gol s GLN 148 Cb -0.32 -2.50 0.00 0.00 -1.09 0.00 0.00 33.01 29.10 3gol s GLN 148 CO 0.39 0.07 0.03 -2.30 -1.32 0.00 0.00 175.29 172.15 3gol n PRO 149 N -1.42 0.00 -4.19 9.60 -0.02 -1.26 -5.15 135.00 132.56 3gol n PRO 149 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 3gol n PRO 149 Cb 0.60 -0.23 -0.14 0.00 -0.02 0.00 0.00 33.50 33.71 3gol n PRO 149 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gol s ARG 154 N -0.19 3.39 0.57 -0.52 0.52 -1.26 -5.36 118.95 116.11 3gol s ARG 154 Ca 0.00 -0.64 -0.16 0.00 -0.52 0.00 0.00 55.73 54.41 3gol s ARG 154 Cb 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 3gol s ARG 154 CO 0.00 -0.04 1.04 0.15 0.02 0.00 0.00 175.30 176.47 3gol s LYS 155 N 1.06 3.47 0.42 3.54 1.02 -1.26 -5.08 119.74 122.90 3gol s LYS 155 Ca 0.00 1.15 -0.14 0.00 0.02 0.00 0.00 55.97 57.00 3gol s LYS 155 Cb -0.15 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.03 3gol s LYS 155 CO -0.01 -0.69 0.83 -1.25 -0.92 0.00 0.00 175.35 173.32 3gol s PRO 156 N -4.07 3.92 0.65 -1.68 0.04 -1.26 -4.95 135.00 127.65 3gol s PRO 156 Ca 0.63 0.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 3gol s PRO 156 Cb -0.15 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 3gol s PRO 156 CO 0.36 -0.05 1.02 0.00 0.04 0.00 0.00 177.00 178.37 3gol n ALA 157 N -1.09 0.23 -2.01 8.56 0.00 -1.26 -4.94 120.51 119.99 3gol n ALA 157 Ca 0.04 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 3gol n ALA 157 Cb 0.54 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.89 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 -3.05 2.53 -0.25 0.00 0.52 -1.26 -4.69 118.95 112.75 3gol s ARG 158 Ca 0.77 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 3gol s ARG 158 Cb -0.39 -2.27 0.06 0.00 0.52 0.00 0.00 34.95 32.87 3gol s ARG 158 CO 0.46 -0.94 -0.11 -0.51 0.02 0.00 0.00 175.30 174.22 3gol s LEU 159 N -5.06 3.26 -0.18 2.53 1.43 -1.26 -0.99 118.68 118.41 3gol s LEU 159 Ca 0.57 -1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.15 3gol s LEU 159 Cb -0.11 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3gol s LEU 159 CO 0.44 -0.18 0.56 -0.51 0.23 0.00 0.00 176.35 176.89 3gol s ILE 160 N 1.15 5.09 -0.14 -0.59 1.10 -0.41 -4.78 121.20 122.61 3gol s ILE 160 Ca -0.08 1.07 0.01 0.00 -0.51 0.00 0.00 60.65 61.14 3gol s ILE 160 Cb -0.19 -3.89 -0.01 0.00 0.15 0.00 0.00 42.46 38.52 3gol s ILE 160 CO -0.06 0.18 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.11 3gol s VAL 161 N 1.51 2.74 -0.07 4.00 1.01 -1.26 -1.46 120.40 126.87 3gol s VAL 161 Ca 0.27 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 3gol s VAL 161 Cb -0.16 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.13 3gol s VAL 161 CO 0.11 0.52 0.49 0.72 0.00 0.00 0.00 175.10 176.94 3gol s PHE 162 N 0.57 -0.44 0.85 5.22 -0.71 -0.35 -0.69 117.98 122.43 3gol s PHE 162 Ca -0.09 0.83 -0.08 0.00 -1.04 0.00 0.00 56.93 56.54 3gol s PHE 162 Cb -0.16 0.23 0.17 0.00 -1.21 0.00 0.00 43.02 42.06 3gol s PHE 162 CO 0.04 -0.45 1.17 -1.25 -1.34 0.00 0.00 175.22 173.38 3gol s PRO 163 N -0.94 1.09 0.59 1.99 0.04 -1.26 -0.60 135.00 135.91 3gol s PRO 163 Ca -0.10 -0.81 -0.18 0.00 0.04 0.00 0.00 61.00 59.95 3gol s PRO 163 Cb -0.03 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3gol s PRO 163 CO 0.06 -1.97 1.14 0.34 0.04 0.00 0.00 177.00 176.60 3gol s ASP 164 N -4.84 5.42 0.22 6.66 2.15 -1.26 -4.78 116.67 120.25 3gol s ASP 164 Ca 0.71 2.18 -0.18 0.00 0.43 0.00 0.00 52.55 55.69 3gol s ASP 164 Cb -0.04 -2.58 0.22 0.00 -0.30 0.00 0.00 42.92 40.23 3gol s ASP 164 CO 0.49 -1.42 1.56 0.25 -0.17 0.00 0.00 175.17 175.88 3gol h LEU 165 N 0.81 -1.36 -1.11 -1.34 5.85 -1.85 0.19 115.31 116.49 3gol h LEU 165 Ca -0.49 0.29 0.18 0.00 0.84 0.00 0.00 57.88 58.70 3gol h LEU 165 Cb 1.27 0.72 -0.10 0.00 0.37 0.00 0.00 40.66 42.92 3gol h LEU 165 CO 0.56 -0.29 0.61 1.23 -0.34 0.00 0.00 178.44 180.21 3gol h GLY 166 N -0.03 1.58 1.14 3.75 0.00 -1.93 0.13 103.07 107.70 3gol h GLY 166 Ca 0.33 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 3gol h GLY 166 CO -0.93 -0.02 -0.27 -2.08 0.00 0.00 0.00 176.54 173.24 3gol h VAL 167 N 0.73 1.27 -0.37 4.60 2.07 -1.03 -3.11 116.25 120.41 3gol h VAL 167 Ca 0.54 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 3gol h VAL 167 Cb 0.89 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3gol h VAL 167 CO -0.32 0.49 0.02 0.03 0.02 0.00 0.00 177.57 177.81 3gol h ARG 168 N 0.82 0.57 0.00 1.57 3.08 0.06 0.11 114.38 120.60 3gol h ARG 168 Ca 0.09 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3gol h ARG 168 Cb 0.86 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3gol h ARG 168 CO 0.08 0.58 -0.23 0.28 -1.07 0.00 0.00 179.97 179.61 3gol h VAL 169 N 0.55 1.09 0.09 2.04 2.07 -1.18 -2.58 116.25 118.33 3gol h VAL 169 Ca 0.12 -0.81 -0.31 0.00 0.82 0.00 0.00 66.70 66.52 3gol h VAL 169 Cb 0.32 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3gol h VAL 169 CO 0.01 0.23 -1.59 0.00 0.02 0.00 0.00 177.57 176.23 3gol h GLU 171 N 0.05 0.19 -0.59 0.00 5.08 -0.97 -2.82 114.58 115.53 3gol h GLU 171 Ca -0.26 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 3gol h GLU 171 Cb 2.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 3gol h GLU 171 CO 0.14 0.13 0.08 0.87 -1.00 0.00 0.00 179.01 179.23 3gol h LYS 172 N 0.20 0.98 0.30 2.33 1.57 -1.35 0.13 116.57 120.74 3gol h LYS 172 Ca 0.35 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3gol h LYS 172 Cb 0.56 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3gol h LYS 172 CO -0.49 0.94 -0.26 0.52 -0.57 0.00 0.00 179.45 179.59 3gol h MET 173 N 0.88 -0.55 -0.10 3.15 2.86 -1.24 -1.74 114.93 118.19 3gol h MET 173 Ca 0.18 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3gol h MET 173 Cb 0.44 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 3gol h MET 173 CO 0.01 -0.37 0.00 0.00 1.06 0.00 0.00 176.91 177.62 3gol h ALA 174 N 0.04 0.14 -0.00 6.32 0.00 -1.46 -1.00 119.26 123.30 3gol h ALA 174 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gol h ALA 174 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gol h ALA 174 CO -0.03 -0.17 -0.23 1.28 0.00 0.00 0.00 179.25 180.10 3gol n LEU 175 N -4.81 0.34 0.07 0.00 4.77 0.46 -4.57 117.00 113.25 3gol n LEU 175 Ca -0.06 -0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 55.26 3gol n LEU 175 Cb 0.20 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3gol n LEU 175 CO 0.35 0.08 0.64 0.22 -1.33 0.00 0.00 177.39 177.36 3gol h TYR 176 N 0.09 -0.90 -0.47 -1.77 3.20 -1.37 0.44 116.97 116.18 3gol h TYR 176 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3gol h TYR 176 Cb 0.13 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3gol h TYR 176 CO 0.00 -0.42 0.13 0.22 -1.64 0.00 0.00 178.16 176.45 3gol h ASP 177 N -0.49 0.65 -0.25 -2.11 3.58 -1.82 -1.52 116.42 114.46 3gol h ASP 177 Ca 0.06 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 3gol h ASP 177 Cb 0.57 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3gol h ASP 177 CO -0.26 0.64 0.03 0.58 -2.88 0.00 0.00 179.24 177.35 3gol h VAL 178 N 0.69 1.24 -0.24 2.25 2.07 -1.72 -2.27 116.25 118.27 3gol h VAL 178 Ca 0.16 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3gol h VAL 178 Cb 0.24 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3gol h VAL 178 CO -0.00 0.26 -0.10 0.58 0.02 0.00 0.00 177.57 178.32 3gol h VAL 179 N 0.23 1.20 0.00 2.57 2.07 -0.61 -0.56 116.25 121.15 3gol h VAL 179 Ca 0.08 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 3gol h VAL 179 Cb 0.35 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3gol h VAL 179 CO 0.01 0.28 -0.37 0.28 0.02 0.00 0.00 177.57 177.78 3gol h SER 180 N 0.36 0.00 0.00 0.57 0.02 -1.22 -3.40 113.55 109.88 3gol h SER 180 Ca 0.07 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 3gol h SER 180 Cb 0.41 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3gol h SER 180 CO 0.02 0.37 -1.37 0.41 -1.14 0.00 0.00 176.83 175.12 3gol n THR 181 N -3.37 0.37 0.00 -2.27 -1.04 -0.86 -4.77 114.28 102.34 3gol n THR 181 Ca 0.01 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 3gol n THR 181 Cb 0.57 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 68.11 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 0.31 -0.93 -4.42 6.46 -1.32 -3.11 115.31 112.31 3gol h LEU 182 Ca -0.15 -0.93 0.27 0.00 -0.12 0.00 0.00 57.88 56.95 3gol h LEU 182 Cb 1.32 -0.10 -0.15 0.00 -0.73 0.00 0.00 40.66 41.00 3gol h LEU 182 CO 0.00 1.21 0.33 -0.65 -0.62 0.00 0.00 178.44 178.71 3gol h PRO 183 N -0.55 0.21 -0.15 5.25 0.11 -1.79 0.16 132.00 135.25 3gol h PRO 183 Ca -0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3gol h PRO 183 Cb 1.35 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3gol h PRO 183 CO 0.09 0.14 0.04 0.37 -0.21 0.00 0.00 178.00 178.44 3gol h GLN 184 N 0.22 0.23 -0.87 1.05 5.75 -1.88 -0.79 115.11 118.83 3gol h GLN 184 Ca 0.62 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 59.07 3gol h GLN 184 Cb 1.32 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.79 3gol h GLN 184 CO -0.66 0.37 0.56 0.00 -2.65 0.00 0.00 178.83 176.44 3gol h ALA 185 N 0.85 1.10 0.01 3.38 0.00 -0.72 0.19 119.26 124.08 3gol h ALA 185 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gol h ALA 185 Cb 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gol h ALA 185 CO -0.00 0.52 -0.01 0.28 0.00 0.00 0.00 179.25 180.04 3gol h VAL 186 N 1.18 0.89 0.00 0.00 2.07 -0.87 -3.40 116.25 116.11 3gol h VAL 186 Ca 0.32 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3gol h VAL 186 Cb -0.11 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3gol h VAL 186 CO -0.07 0.30 -0.69 0.23 0.02 0.00 0.00 177.57 177.36 3gol n MET 187 N -4.71 0.06 0.00 1.57 2.81 -0.31 -4.98 117.12 111.57 3gol n MET 187 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3gol n MET 187 Cb 0.24 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.47 3.37 0.12 3.03 0.00 0.66 -2.45 105.19 111.39 3gol n GLY 188 Ca 0.05 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 6.93 0.41 -0.35 1.61 3.41 -1.26 -2.99 113.62 121.39 3gol n SER 189 Ca 0.00 -0.95 0.14 0.00 -0.26 0.00 0.00 58.87 57.80 3gol n SER 189 Cb 0.00 -0.04 0.54 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.77 1.16 -4.60 4.04 7.64 -1.03 -4.74 113.62 115.32 3gol n SER 190 Ca 0.20 -1.23 -0.41 0.00 1.01 0.00 0.00 58.87 58.44 3gol n SER 190 Cb 0.21 0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.16 3.23 -0.41 1.43 5.04 -1.16 -1.11 117.35 122.21 3gol s TYR 191 Ca 0.35 0.57 0.22 0.00 -2.44 0.00 0.00 57.07 55.78 3gol s TYR 191 Cb 0.21 -2.92 0.30 0.00 0.35 0.00 0.00 41.96 39.90 3gol s TYR 191 CO 0.39 -0.43 1.56 0.78 -1.34 0.00 0.00 175.55 176.52 3gol h GLY 192 N 9.06 0.00 1.27 8.97 0.00 -1.45 -3.30 103.07 117.62 3gol h GLY 192 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3gol h GLY 192 CO 0.78 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.01 3gol n PHE 193 N -3.08 0.00 0.19 5.60 3.72 -1.26 -2.87 117.46 119.76 3gol n PHE 193 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.53 3gol n PHE 193 Cb 0.54 -0.13 0.12 0.00 -0.94 0.00 0.00 39.48 39.07 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 -5.92 -1.08 3.07 -1.69 0.15 115.11 109.64 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 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.63 3gol h GLN 194 CO 0.00 0.12 -0.31 0.71 0.09 0.00 0.00 178.83 179.43 3gol s TYR 195 N -3.16 3.64 0.89 0.06 2.02 -1.14 -4.23 117.35 115.44 3gol s TYR 195 Ca 0.06 0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 57.40 3gol s TYR 195 Cb 0.06 -2.12 0.13 0.00 -0.40 0.00 0.00 41.96 39.62 3gol s TYR 195 CO 0.70 0.64 1.11 -1.54 -1.57 0.00 0.00 175.55 174.88 3gol s SER 196 N -1.33 3.62 0.40 2.29 1.04 -1.26 -4.80 113.70 113.66 3gol s SER 196 Ca 0.24 1.17 0.13 0.00 0.48 0.00 0.00 55.95 57.97 3gol s SER 196 Cb -0.14 -1.82 0.95 0.00 0.10 0.00 0.00 66.02 65.11 3gol s SER 196 CO 0.13 -2.51 1.89 -0.65 0.98 0.00 0.00 173.24 173.08 3gol h PRO 197 N -1.46 0.52 -0.09 4.02 0.11 -1.91 0.69 132.00 133.88 3gol h PRO 197 Ca -0.50 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.42 3gol h PRO 197 Cb 1.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3gol h PRO 197 CO 0.59 0.34 -0.61 -0.22 -0.21 0.00 0.00 178.00 177.90 3gol h LYS 198 N 0.53 0.32 0.00 1.05 3.64 -1.93 -2.67 116.57 117.51 3gol h LYS 198 Ca 0.41 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3gol h LYS 198 Cb 0.82 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3gol h LYS 198 CO -0.16 0.83 -0.47 1.96 -2.27 0.00 0.00 179.45 179.34 3gol h GLN 199 N 0.24 0.00 0.04 1.90 4.20 -1.65 -3.22 115.11 116.63 3gol h GLN 199 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3gol h GLN 199 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3gol h GLN 199 CO 0.10 0.47 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.62 3gol h ARG 200 N 0.00 -0.06 -0.70 1.46 2.43 -0.80 -2.82 114.38 113.90 3gol h ARG 200 Ca -0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3gol h ARG 200 Cb 1.17 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 3gol h ARG 200 CO 0.06 0.59 0.32 -0.24 -1.51 0.00 0.00 179.97 179.19 3gol h VAL 201 N -0.86 0.79 -0.10 0.20 3.04 -1.59 -0.81 116.25 116.92 3gol h VAL 201 Ca -0.01 -0.18 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 3gol h VAL 201 Cb 0.67 0.21 -0.06 0.00 -2.01 0.00 0.00 31.29 30.10 3gol h VAL 201 CO 0.01 0.10 -0.38 -0.08 -1.01 0.00 0.00 177.57 176.21 3gol h GLU 202 N 0.53 -0.46 -0.35 4.17 4.81 -1.62 -0.10 114.58 121.56 3gol h GLU 202 Ca 0.36 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 3gol h GLU 202 Cb 0.43 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 3gol h GLU 202 CO -0.31 -0.30 0.04 0.35 -0.73 0.00 0.00 179.01 178.06 3gol h PHE 203 N -0.47 0.07 0.03 0.92 3.57 -0.93 0.14 116.94 120.27 3gol h PHE 203 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3gol h PHE 203 Cb 0.60 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3gol h PHE 203 CO -0.44 -0.01 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.53 3gol h LEU 204 N 0.15 -0.08 -0.81 0.59 3.38 -0.79 0.16 115.31 117.92 3gol h LEU 204 Ca 0.17 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3gol h LEU 204 Cb 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gol h LEU 204 CO -0.24 -0.05 0.36 0.58 0.09 0.00 0.00 178.44 179.18 3gol h VAL 205 N -0.07 1.26 -0.30 1.22 2.07 -0.66 0.76 116.25 120.52 3gol h VAL 205 Ca 0.00 -0.75 -0.18 0.00 0.82 0.00 0.00 66.70 66.59 3gol h VAL 205 Cb 0.07 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3gol h VAL 205 CO -0.01 0.32 -0.50 0.78 0.02 0.00 0.00 177.57 178.17 3gol h ASN 206 N 1.15 0.97 -0.78 0.57 -0.26 -0.91 -0.64 115.58 115.69 3gol h ASN 206 Ca 0.27 -0.52 -0.05 0.00 -0.56 0.00 0.00 56.30 55.44 3gol h ASN 206 Cb 0.15 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 3gol h ASN 206 CO -0.03 1.30 0.28 0.74 -1.06 0.00 0.00 177.43 178.67 3gol h THR 207 N 0.66 1.26 -0.75 2.81 2.02 -0.34 -2.04 112.91 116.54 3gol h THR 207 Ca 0.02 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 3gol h THR 207 Cb 1.11 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3gol h THR 207 CO 0.11 0.35 0.28 -0.25 0.37 0.00 0.00 175.52 176.38 3gol h TRP 208 N 1.14 1.15 0.00 3.16 2.91 0.73 -3.00 115.95 122.04 3gol h TRP 208 Ca 0.26 -0.09 -0.15 0.00 1.13 0.00 0.00 58.89 60.03 3gol h TRP 208 Cb 0.25 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 3gol h TRP 208 CO 0.02 0.89 -0.72 0.87 -1.03 0.00 0.00 178.44 178.47 3gol h LYS 209 N 1.08 0.00 -0.09 2.65 1.57 -1.04 -3.24 116.57 117.51 3gol h LYS 209 Ca 0.25 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 3gol h LYS 209 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3gol h LYS 209 CO -0.02 0.72 -0.40 0.66 -0.57 0.00 0.00 179.45 179.84 3gol h SER 210 N 0.00 0.20 -3.58 0.86 4.64 -1.24 -3.43 113.55 111.00 3gol h SER 210 Ca -0.01 -0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.70 3gol h SER 210 Cb 1.41 -0.06 0.07 0.00 -0.31 0.00 0.00 62.40 63.51 3gol h SER 210 CO 0.09 0.59 0.77 -0.54 -0.87 0.00 0.00 176.83 176.87 3gol s LYS 211 N -4.15 4.22 0.09 4.77 3.01 -1.14 -4.94 119.74 121.60 3gol s LYS 211 Ca -0.04 2.39 -0.31 0.00 -1.01 0.00 0.00 55.97 57.01 3gol s LYS 211 Cb 0.14 -3.06 -0.14 0.00 -1.01 0.00 0.00 37.83 33.76 3gol s LYS 211 CO 0.76 -0.44 1.62 0.87 0.51 0.00 0.00 175.35 178.68 3gol h LYS 212 N 4.29 -0.68 -2.82 1.68 1.57 -1.89 -3.38 116.57 115.33 3gol h LYS 212 Ca -0.48 0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 57.75 3gol h LYS 212 Cb 1.22 0.15 -0.40 0.00 0.08 0.00 0.00 32.23 33.29 3gol h LYS 212 CO 0.73 -0.45 -0.78 0.00 -0.57 0.00 0.00 179.45 178.37 3gol s PRO 214 N 0.47 4.36 0.02 0.00 0.04 -1.26 0.76 135.00 139.38 3gol s PRO 214 Ca 0.19 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.39 3gol s PRO 214 Cb -0.21 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 3gol s PRO 214 CO -0.02 -0.32 -0.18 1.41 0.04 0.00 0.00 177.00 177.93 3gol s MET 215 N 0.14 1.36 0.01 4.56 1.75 0.13 -4.73 119.30 122.52 3gol s MET 215 Ca 0.59 -0.77 -0.15 0.00 -1.25 0.00 0.00 55.69 54.11 3gol s MET 215 Cb -0.37 -1.38 0.02 0.00 2.84 0.00 0.00 34.83 35.94 3gol s MET 215 CO 0.37 0.36 0.31 0.20 -0.65 0.00 0.00 175.02 175.62 3gol s GLY 216 N -0.81 -0.15 -0.02 2.11 0.00 -0.27 -0.78 107.32 107.41 3gol s GLY 216 Ca 0.06 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 3gol s GLY 216 CO 0.01 0.00 0.69 -0.11 0.00 0.00 0.00 173.10 173.69 3gol s PHE 217 N -1.79 -0.61 0.24 1.90 -0.71 -0.73 0.89 117.98 117.17 3gol s PHE 217 Ca -0.10 0.93 0.06 0.00 -1.04 0.00 0.00 56.93 56.77 3gol s PHE 217 Cb -0.03 0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 3gol s PHE 217 CO 0.01 -0.64 0.29 -1.54 -1.34 0.00 0.00 175.22 172.01 3gol s SER 218 N -1.51 6.00 -0.07 1.98 1.04 -1.26 -1.35 113.70 118.54 3gol s SER 218 Ca -0.08 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 3gol s SER 218 Cb -0.00 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.46 3gol s SER 218 CO 0.05 -0.05 -0.02 -0.47 0.98 0.00 0.00 173.24 173.73 3gol s TYR 219 N -2.02 0.79 -0.09 5.02 6.14 -0.15 -4.64 117.35 122.41 3gol s TYR 219 Ca 0.33 -0.25 0.04 0.00 0.64 0.00 0.00 57.07 57.84 3gol s TYR 219 Cb -0.09 -0.81 -0.01 0.00 0.42 0.00 0.00 41.96 41.48 3gol s TYR 219 CO 0.27 -0.30 -0.22 0.16 0.64 0.00 0.00 175.55 176.09 3gol s ASP 220 N 1.58 3.25 0.04 4.32 -4.77 -1.26 -3.82 116.67 116.01 3gol s ASP 220 Ca -0.01 -0.50 -0.02 0.00 -3.30 0.00 0.00 52.55 48.73 3gol s ASP 220 Cb -0.13 -1.22 -0.04 0.00 -1.09 0.00 0.00 42.92 40.44 3gol s ASP 220 CO -0.04 0.20 0.22 0.42 0.70 0.00 0.00 175.17 176.67 3gol s THR 221 N 0.12 5.37 -0.42 2.11 -4.23 -1.26 -0.94 115.64 116.39 3gol s THR 221 Ca -0.11 -0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 59.87 3gol s THR 221 Cb -0.16 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.10 3gol s THR 221 CO 0.06 0.20 1.35 -0.60 -0.54 0.00 0.00 174.62 175.09 3gol s ARG 222 N -2.31 3.62 -0.79 3.99 3.52 -0.71 -3.96 118.95 122.31 3gol s ARG 222 Ca 0.33 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.78 3gol s ARG 222 Cb -0.13 -3.99 -0.00 0.00 -1.56 0.00 0.00 34.95 29.27 3gol s ARG 222 CO 0.24 -1.51 0.68 0.00 -0.81 0.00 0.00 175.30 173.89 3gol h PHE 224 N 0.12 -0.08 -0.53 0.00 3.04 -1.96 -1.77 116.94 115.76 3gol h PHE 224 Ca -0.24 0.04 0.06 0.00 3.98 0.00 0.00 57.97 61.81 3gol h PHE 224 Cb 1.15 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.73 3gol h PHE 224 CO 0.22 -0.17 0.25 -0.44 -2.02 0.00 0.00 178.31 176.15 3gol h ASP 225 N 0.10 0.33 0.42 0.41 5.19 -1.91 -0.78 116.42 120.18 3gol h ASP 225 Ca 0.30 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.70 3gol h ASP 225 Cb 0.48 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 3gol h ASP 225 CO -0.51 0.22 -0.26 0.28 -3.12 0.00 0.00 179.24 175.85 3gol h SER 226 N 0.48 0.00 1.23 6.45 0.02 -1.67 -2.35 113.55 117.70 3gol h SER 226 Ca 0.24 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3gol h SER 226 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3gol h SER 226 CO -0.19 0.26 -0.23 0.71 -1.14 0.00 0.00 176.83 176.23 3gol h THR 227 N 0.00 0.49 -2.54 -2.27 1.35 -0.32 -3.45 112.91 106.17 3gol h THR 227 Ca -0.00 -1.30 -0.55 0.00 -0.55 0.00 0.00 66.41 64.01 3gol h THR 227 Cb 0.54 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3gol h THR 227 CO 0.03 0.23 1.16 -0.69 -0.25 0.00 0.00 175.52 176.00 3gol s VAL 228 N -3.42 3.44 0.69 6.82 1.01 -0.98 -4.88 120.40 123.08 3gol s VAL 228 Ca 0.02 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 3gol s VAL 228 Cb 0.09 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 33.15 3gol s VAL 228 CO 0.66 -0.08 0.99 0.42 0.00 0.00 0.00 175.10 177.08 3gol s THR 229 N 4.63 2.37 0.14 3.92 -4.23 -1.26 -4.00 115.64 117.21 3gol s THR 229 Ca 0.78 -0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 60.83 3gol s THR 229 Cb -0.34 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3gol s THR 229 CO 0.32 -0.02 1.73 -0.08 -0.54 0.00 0.00 174.62 176.03 3gol h GLU 230 N -0.53 0.15 -0.52 3.99 4.81 -1.86 -2.06 114.58 118.55 3gol h GLU 230 Ca -0.44 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.87 3gol h GLU 230 Cb 1.31 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.58 3gol h GLU 230 CO 0.60 0.10 0.07 1.03 -0.73 0.00 0.00 179.01 180.07 3gol h SER 231 N 0.15 -0.07 -0.40 1.04 0.87 -1.97 -0.83 113.55 112.33 3gol h SER 231 Ca 0.14 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3gol h SER 231 Cb 0.15 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3gol h SER 231 CO -0.19 -0.01 0.15 0.44 -0.53 0.00 0.00 176.83 176.69 3gol h ASP 232 N 0.20 0.17 -0.02 6.23 3.32 -1.80 0.31 116.42 124.82 3gol h ASP 232 Ca 0.26 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 3gol h ASP 232 Cb 0.38 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3gol h ASP 232 CO -0.37 0.13 -0.13 0.40 -1.72 0.00 0.00 179.24 177.55 3gol h ILE 233 N 0.31 1.20 -0.01 0.35 2.04 -0.86 -1.89 117.51 118.65 3gol h ILE 233 Ca 0.18 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3gol h ILE 233 Cb 0.16 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3gol h ILE 233 CO -0.18 0.27 -0.02 0.03 0.00 0.00 0.00 178.15 178.25 3gol h ARG 234 N 0.30 0.03 -0.81 2.37 3.08 -0.53 -2.38 114.38 116.45 3gol h ARG 234 Ca 0.06 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.28 3gol h ARG 234 Cb 0.41 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.34 3gol h ARG 234 CO 0.02 0.60 0.23 0.28 -1.07 0.00 0.00 179.97 180.03 3gol h VAL 235 N -0.53 0.45 -0.20 2.04 2.07 -0.88 -0.15 116.25 119.04 3gol h VAL 235 Ca 0.00 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gol h VAL 235 Cb 0.60 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3gol h VAL 235 CO 0.00 0.05 0.12 -0.08 0.02 0.00 0.00 177.57 177.68 3gol h GLU 236 N 0.28 0.24 -0.98 1.57 4.81 -1.27 -0.90 114.58 118.33 3gol h GLU 236 Ca 0.48 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.85 3gol h GLU 236 Cb 0.89 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.12 3gol h GLU 236 CO -0.56 0.16 0.61 1.49 -0.73 0.00 0.00 179.01 179.98 3gol h GLU 237 N 0.24 0.80 0.00 1.92 4.81 -0.72 -0.67 114.58 120.97 3gol h GLU 237 Ca 0.08 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3gol h GLU 237 Cb -0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3gol h GLU 237 CO -0.03 0.53 -0.24 0.66 -0.73 0.00 0.00 179.01 179.19 3gol h SER 238 N 0.82 0.00 0.41 1.04 4.64 0.31 0.18 113.55 120.95 3gol h SER 238 Ca 0.52 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.61 3gol h SER 238 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3gol h SER 238 CO -0.29 0.24 -0.98 0.40 -0.87 0.00 0.00 176.83 175.33 3gol h ILE 239 N 0.00 1.43 -0.50 0.95 2.04 -0.50 -3.24 117.51 117.69 3gol h ILE 239 Ca -0.00 -2.56 -0.10 0.00 1.00 0.00 0.00 64.86 63.20 3gol h ILE 239 Cb 0.47 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 3gol h ILE 239 CO 0.03 0.76 -0.06 1.88 0.00 0.00 0.00 178.15 180.76 3gol h TYR 240 N 0.19 1.03 0.00 1.37 0.05 -0.20 -3.06 116.97 116.35 3gol h TYR 240 Ca -0.08 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3gol h TYR 240 Cb 1.63 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 39.11 3gol h TYR 240 CO 0.06 0.98 0.00 1.04 -1.05 0.00 0.00 178.16 179.18 3gol n GLN 241 N -4.25 0.09 0.00 4.88 1.13 0.50 -1.86 117.38 117.88 3gol n GLN 241 Ca 0.01 0.42 0.08 0.00 -1.94 0.00 0.00 57.00 55.57 3gol n GLN 241 Cb 0.36 -1.70 0.35 0.00 0.11 0.00 0.00 30.24 29.37 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 -4.14 7.01 -0.02 0.00 -1.08 -0.37 -4.93 116.67 113.13 3gol s ASP 244 Ca 0.48 1.96 0.01 0.00 -0.52 0.00 0.00 52.55 54.49 3gol s ASP 244 Cb -0.10 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.80 3gol s ASP 244 CO 0.44 -0.58 -0.04 -0.76 0.52 0.00 0.00 175.17 174.75 3gol s LEU 245 N 1.86 1.61 0.28 -1.34 1.43 -1.26 -1.16 118.68 120.10 3gol s LEU 245 Ca 0.59 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 3gol s LEU 245 Cb -0.28 -0.34 -0.13 0.00 0.03 0.00 0.00 46.19 45.46 3gol s LEU 245 CO 0.25 -0.00 1.29 0.00 0.23 0.00 0.00 176.35 178.12 3gol n ALA 246 N 3.55 0.85 -0.22 4.21 0.00 -1.26 -4.74 120.51 122.91 3gol n ALA 246 Ca -0.20 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 3gol n ALA 246 Cb 0.54 -2.21 0.07 0.00 0.00 0.00 0.00 19.45 17.85 3gol n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gol h PRO 247 N 3.27 0.02 -0.89 0.00 0.11 -2.00 -0.27 132.00 132.24 3gol h PRO 247 Ca -0.44 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3gol h PRO 247 Cb 1.29 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 3gol h PRO 247 CO 0.69 0.01 0.59 0.93 -0.21 0.00 0.00 178.00 180.01 3gol h GLU 248 N 0.02 1.14 -0.86 1.05 5.08 -2.00 -1.82 114.58 117.19 3gol h GLU 248 Ca 0.31 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3gol h GLU 248 Cb 0.49 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3gol h GLU 248 CO -0.64 0.75 0.47 0.00 -1.00 0.00 0.00 179.01 178.59 3gol h ALA 249 N 1.46 1.10 -0.15 3.43 0.00 -1.45 -0.63 119.26 123.01 3gol h ALA 249 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gol h ALA 249 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3gol h ALA 249 CO -0.09 0.60 0.07 -0.09 0.00 0.00 0.00 179.25 179.75 3gol h ARG 250 N 1.19 0.21 -0.27 0.00 2.43 -0.41 0.32 114.38 117.85 3gol h ARG 250 Ca 0.30 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 3gol h ARG 250 Cb 0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3gol h ARG 250 CO -0.05 0.24 -0.31 0.37 -1.51 0.00 0.00 179.97 178.71 3gol h GLN 251 N 0.12 0.56 -0.24 0.20 5.75 -1.36 -0.76 115.11 119.39 3gol h GLN 251 Ca 0.05 -0.25 0.05 0.00 -0.15 0.00 0.00 58.65 58.35 3gol h GLN 251 Cb 0.10 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 3gol h GLN 251 CO -0.01 0.81 -0.04 0.00 -2.65 0.00 0.00 178.83 176.94 3gol h ALA 252 N 1.18 0.17 -0.30 3.38 0.00 -0.72 0.27 119.26 123.24 3gol h ALA 252 Ca 0.06 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3gol h ALA 252 Cb 0.78 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3gol h ALA 252 CO 0.06 -0.46 -0.33 0.82 0.00 0.00 0.00 179.25 179.34 3gol h ILE 253 N 0.02 1.28 -0.03 0.00 2.04 -0.75 0.55 117.51 120.62 3gol h ILE 253 Ca 0.11 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 3gol h ILE 253 Cb 0.17 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3gol h ILE 253 CO -0.23 0.47 0.02 -0.09 0.00 0.00 0.00 178.15 178.32 3gol h ARG 254 N 0.54 0.04 -0.09 2.37 9.65 -0.70 -1.00 114.38 125.19 3gol h ARG 254 Ca 0.06 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3gol h ARG 254 Cb 0.83 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 3gol h ARG 254 CO 0.07 0.11 -0.03 0.77 2.80 0.00 0.00 179.97 183.69 3gol h SER 255 N -0.03 0.19 -0.51 -3.80 0.02 -0.27 -2.80 113.55 106.35 3gol h SER 255 Ca 0.01 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3gol h SER 255 Cb 0.08 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3gol h SER 255 CO -0.00 0.54 0.34 -0.07 -1.14 0.00 0.00 176.83 176.50 3gol h LEU 256 N -0.16 0.46 -0.16 5.07 3.38 -0.89 0.25 115.31 123.25 3gol h LEU 256 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gol h LEU 256 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3gol h LEU 256 CO 0.01 0.31 0.05 0.74 0.09 0.00 0.00 178.44 179.64 3gol h THR 257 N 0.53 1.18 -0.18 0.22 2.02 -1.02 -1.84 112.91 113.82 3gol h THR 257 Ca 0.21 -0.56 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 3gol h THR 257 Cb 0.18 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3gol h THR 257 CO -0.06 0.17 -0.39 -0.33 0.37 0.00 0.00 175.52 175.29 3gol h GLU 258 N 0.09 0.40 0.00 6.66 4.39 -1.04 -1.91 114.58 123.17 3gol h GLU 258 Ca 0.05 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3gol h GLU 258 Cb 0.22 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3gol h GLU 258 CO -0.00 0.73 -1.32 0.54 -1.16 0.00 0.00 179.01 177.80 3gol n ARG 259 N -4.04 0.43 0.00 2.33 1.74 0.77 -4.70 116.66 113.19 3gol n ARG 259 Ca -0.01 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3gol n ARG 259 Cb 0.48 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3gol n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3gol n LEU 260 N -2.13 0.00 -0.01 0.55 7.94 -0.76 0.11 117.00 122.70 3gol n LEU 260 Ca -0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 3gol n LEU 260 Cb 0.49 0.05 -0.13 0.00 0.53 0.00 0.00 43.42 44.36 3gol n LEU 260 CO 0.42 -0.29 0.26 1.88 -1.11 0.00 0.00 177.39 178.55 3gol h TYR 261 N 0.00 0.29 0.00 1.96 0.05 -1.26 -3.27 116.97 114.74 3gol h TYR 261 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3gol h TYR 261 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 3gol h TYR 261 CO 0.00 1.11 0.00 -0.84 -1.05 0.00 0.00 178.16 177.38 3gol h ILE 262 N -0.61 0.00 0.00 -2.88 3.07 -1.62 -3.43 117.51 112.05 3gol h ILE 262 Ca -0.06 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3gol h ILE 262 Cb 1.25 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 3gol h ILE 262 CO 0.07 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.78 3gol n GLY 263 N -0.53 -0.30 0.00 0.16 0.00 -1.24 -4.14 105.19 99.15 3gol n GLY 263 Ca -0.01 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 -0.33 3.76 -0.02 0.00 -0.29 -4.06 105.19 104.25 3gol n GLY 264 Ca 0.00 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.36 4.62 -0.13 1.61 0.04 -1.26 -1.11 135.00 137.41 3gol s PRO 265 Ca 0.00 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 3gol s PRO 265 Cb 0.00 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3gol s PRO 265 CO 0.00 0.22 -0.05 -0.51 0.04 0.00 0.00 177.00 176.70 3gol s LEU 266 N -1.55 3.23 -0.09 -3.56 1.43 -0.66 -2.44 118.68 115.04 3gol s LEU 266 Ca 0.46 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3gol s LEU 266 Cb -0.30 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3gol s LEU 266 CO 0.38 0.23 -0.18 -0.89 0.23 0.00 0.00 176.35 176.12 3gol s THR 267 N -0.03 1.61 1.07 5.49 2.01 0.68 0.75 115.64 127.21 3gol s THR 267 Ca 0.01 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 3gol s THR 267 Cb -0.13 -1.42 0.22 0.00 0.01 0.00 0.00 72.50 71.18 3gol s THR 267 CO 0.03 0.46 1.13 0.54 -0.69 0.00 0.00 174.62 176.09 3gol s ASN 268 N 0.56 2.09 0.24 3.53 2.20 -0.37 -1.91 114.94 121.29 3gol s ASN 268 Ca -0.15 0.82 0.23 0.00 -0.94 0.00 0.00 52.86 52.82 3gol s ASN 268 Cb -0.17 -1.24 0.96 0.00 -2.00 0.00 0.00 41.25 38.80 3gol s ASN 268 CO 0.05 -3.42 1.69 -1.54 -2.94 0.00 0.00 177.10 170.95 3gol n SER 269 N -4.32 0.62 -1.45 3.54 3.41 -1.26 -1.83 113.62 112.34 3gol n SER 269 Ca 0.10 0.65 -0.00 0.00 -0.26 0.00 0.00 58.87 59.36 3gol n SER 269 Cb 0.59 -0.79 0.22 0.00 -0.26 0.00 0.00 64.21 63.97 3gol n SER 269 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gol n LYS 270 N -2.19 3.01 -0.83 4.33 5.02 -1.26 -4.89 118.16 121.35 3gol n LYS 270 Ca 0.02 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 3gol n LYS 270 Cb 0.23 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.18 0.62 3.78 0.72 0.00 -0.76 -5.00 105.19 104.74 3gol n GLY 271 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.38 4.55 -0.55 1.61 -0.21 -1.26 -4.82 119.66 118.61 3gol s GLN 272 Ca 0.00 1.15 -0.27 0.00 0.02 0.00 0.00 55.36 56.26 3gol s GLN 272 Cb 0.00 -3.21 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 3gol s GLN 272 CO 0.00 0.54 1.87 1.21 -2.12 0.00 0.00 175.29 176.79 3gol s ASN 273 N -1.22 5.36 0.38 5.90 3.04 -1.26 -1.24 114.94 125.90 3gol s ASN 273 Ca 0.37 0.56 0.20 0.00 0.04 0.00 0.00 52.86 54.04 3gol s ASN 273 Cb -0.22 -2.53 0.51 0.00 -1.54 0.00 0.00 41.25 37.47 3gol s ASN 273 CO 0.26 -2.26 1.65 0.00 -3.04 0.00 0.00 177.10 173.70 3gol n GLY 275 N 0.69 0.28 3.62 0.00 0.00 -0.92 -2.34 105.19 106.52 3gol n GLY 275 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.87 -0.09 1.61 5.04 0.01 -1.65 117.35 121.40 3gol s TYR 276 Ca 0.00 1.97 0.03 0.00 -2.44 0.00 0.00 57.07 56.63 3gol s TYR 276 Cb 0.00 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 3gol s TYR 276 CO 0.00 -0.42 -0.17 0.50 -1.34 0.00 0.00 175.55 174.11 3gol s ARG 277 N 0.78 2.95 -0.35 4.97 3.52 -0.26 -0.56 118.95 130.00 3gol s ARG 277 Ca -0.03 -0.76 0.12 0.00 -0.13 0.00 0.00 55.73 54.93 3gol s ARG 277 Cb -0.05 -2.43 0.45 0.00 -1.56 0.00 0.00 34.95 31.37 3gol s ARG 277 CO -0.06 0.34 1.07 0.54 -0.81 0.00 0.00 175.30 176.39 3gol n ARG 278 N 3.11 2.45 -2.10 5.12 1.74 -0.10 -1.14 116.66 125.73 3gol n ARG 278 Ca -0.18 -3.90 -0.04 0.00 -0.77 0.00 0.00 57.85 52.97 3gol n ARG 278 Cb 0.52 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.11 4.17 0.04 0.00 3.52 -0.90 -4.62 118.95 119.05 3gol s ARG 280 Ca 0.07 2.48 -0.19 0.00 -0.13 0.00 0.00 55.73 57.96 3gol s ARG 280 Cb -0.01 -3.04 -0.06 0.00 -1.56 0.00 0.00 34.95 30.28 3gol s ARG 280 CO 0.05 -0.53 0.56 0.00 -0.81 0.00 0.00 175.30 174.57 3gol s ALA 281 N -0.28 3.57 -1.21 6.12 0.00 -1.26 -4.74 121.76 123.96 3gol s ALA 281 Ca 0.59 0.01 0.27 0.00 0.00 0.00 0.00 51.96 52.83 3gol s ALA 281 Cb -0.45 -2.65 0.82 0.00 0.00 0.00 0.00 23.12 20.84 3gol s ALA 281 CO 0.50 0.33 1.62 -1.13 0.00 0.00 0.00 175.76 177.08 3gol n SER 282 N 2.08 0.45 -2.54 0.00 3.41 -1.22 -4.19 113.62 111.61 3gol n SER 282 Ca -0.10 -0.22 -0.19 0.00 -0.26 0.00 0.00 58.87 58.10 3gol n SER 282 Cb 0.51 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.44 4.16 3.44 5.00 0.00 0.13 -4.15 105.19 115.22 3gol n GLY 283 Ca 0.08 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.50 2.16 0.34 1.61 -7.23 -0.92 -4.36 120.40 107.49 3gol s VAL 284 Ca 0.39 -2.30 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 3gol s VAL 284 Cb 0.42 -2.29 0.18 0.00 0.56 0.00 0.00 36.38 35.25 3gol s VAL 284 CO -0.08 -0.42 1.90 0.25 -0.31 0.00 0.00 175.10 176.44 3gol h LEU 285 N 2.32 0.56 -0.52 1.32 5.85 -1.83 -2.64 115.31 120.38 3gol h LEU 285 Ca -0.40 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3gol h LEU 285 Cb 1.25 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3gol h LEU 285 CO 0.63 0.57 -0.01 0.35 -0.34 0.00 0.00 178.44 179.64 3gol n THR 286 N -4.32 0.00 0.19 1.05 -2.24 -1.26 -4.31 114.28 103.40 3gol n THR 286 Ca 0.03 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3gol n THR 286 Cb 0.20 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 3gol n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gol h THR 287 N 1.26 0.00 0.71 4.28 2.02 -1.74 0.45 112.91 119.89 3gol h THR 287 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3gol h THR 287 Cb 0.28 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3gol h THR 287 CO 0.00 0.00 -0.47 -1.28 0.37 0.00 0.00 175.52 174.14 3gol h SER 288 N -0.70 -1.22 -0.21 4.18 0.87 -1.75 -1.44 113.55 113.27 3gol h SER 288 Ca -0.04 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3gol h SER 288 Cb 0.62 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 3gol h SER 288 CO -0.07 -0.71 -0.11 0.00 -0.53 0.00 0.00 176.83 175.41 3gol h GLY 290 N -0.09 0.22 0.81 0.00 0.00 -0.07 -2.17 103.07 101.78 3gol h GLY 290 Ca 0.12 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.62 3gol h GLY 290 CO -0.27 -0.15 0.18 3.43 0.00 0.00 0.00 176.54 179.73 3gol h ASN 291 N -0.03 0.27 -0.41 0.19 2.35 -0.63 0.20 115.58 117.51 3gol h ASN 291 Ca 0.18 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.02 3gol h ASN 291 Cb 0.30 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 3gol h ASN 291 CO -0.39 0.20 0.04 0.74 -1.65 0.00 0.00 177.43 176.36 3gol h THR 292 N 0.38 0.73 0.14 2.81 2.02 -0.86 0.18 112.91 118.31 3gol h THR 292 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3gol h THR 292 Cb 0.07 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3gol h THR 292 CO -0.12 0.03 -0.07 -0.07 0.37 0.00 0.00 175.52 175.67 3gol h LEU 293 N 0.15 -0.16 -1.26 2.58 3.38 -0.96 -0.65 115.31 118.39 3gol h LEU 293 Ca 0.20 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 58.07 3gol h LEU 293 Cb 0.27 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 3gol h LEU 293 CO -0.30 0.21 0.60 0.74 0.09 0.00 0.00 178.44 179.77 3gol h THR 294 N -0.54 0.76 0.22 0.22 2.02 -0.44 0.13 112.91 115.28 3gol h THR 294 Ca -0.02 -0.22 -0.34 0.00 0.77 0.00 0.00 66.41 66.60 3gol h THR 294 Cb 0.42 0.06 0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3gol h THR 294 CO 0.03 0.12 -1.56 0.00 0.37 0.00 0.00 175.52 174.48 3gol h TYR 296 N 0.13 -0.69 -0.84 0.00 3.20 -0.65 -1.62 116.97 116.50 3gol h TYR 296 Ca -0.28 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 61.79 3gol h TYR 296 Cb 2.14 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 40.54 3gol h TYR 296 CO 0.11 -0.39 0.26 1.25 -1.64 0.00 0.00 178.16 177.75 3gol h LEU 297 N -0.61 0.10 0.07 2.82 5.85 -0.85 0.30 115.31 122.99 3gol h LEU 297 Ca -0.03 0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 3gol h LEU 297 Cb 0.53 0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.78 3gol h LEU 297 CO 0.00 -0.07 -0.69 0.11 -0.34 0.00 0.00 178.44 177.45 3gol h LYS 298 N 0.29 0.34 -0.72 1.25 1.57 -1.43 -2.08 116.57 115.79 3gol h LYS 298 Ca 0.51 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3gol h LYS 298 Cb 0.96 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3gol h LYS 298 CO -0.57 1.17 0.29 0.00 -0.57 0.00 0.00 179.45 179.76 3gol h ALA 299 N 0.19 0.93 -0.47 3.86 0.00 -1.04 0.24 119.26 122.97 3gol h ALA 299 Ca -0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3gol h ALA 299 Cb 1.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3gol h ALA 299 CO 0.13 0.55 -0.16 1.15 0.00 0.00 0.00 179.25 180.92 3gol h THR 300 N 1.03 1.27 -0.58 0.00 2.02 -0.47 -2.18 112.91 114.00 3gol h THR 300 Ca 0.24 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 3gol h THR 300 Cb 0.21 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3gol h THR 300 CO -0.02 0.45 -0.04 0.00 0.37 0.00 0.00 175.52 176.27 3gol h ALA 301 N 1.01 0.79 0.00 6.16 0.00 -1.18 -3.28 119.26 122.77 3gol h ALA 301 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gol h ALA 301 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gol h ALA 301 CO 0.05 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3gol h ALA 302 N 0.96 1.00 0.00 0.00 0.00 -0.15 -1.33 119.26 119.74 3gol h ALA 302 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3gol h ALA 302 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3gol h ALA 302 CO 0.04 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 178.44 3gol h ARG 304 N 0.08 0.51 -0.83 0.00 3.08 -1.40 0.40 114.38 116.23 3gol h ARG 304 Ca -0.03 -0.43 0.10 0.00 0.07 0.00 0.00 59.98 59.69 3gol h ARG 304 Cb 1.48 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.54 3gol h ARG 304 CO 0.13 1.06 0.47 0.00 -1.07 0.00 0.00 179.97 180.56 3gol h ALA 305 N 0.46 1.19 -0.01 0.04 0.00 -1.36 -2.43 119.26 117.14 3gol h ALA 305 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gol h ALA 305 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3gol h ALA 305 CO 0.11 0.08 -0.23 0.00 0.00 0.00 0.00 179.25 179.20 3gol n ALA 306 N -2.38 3.04 -3.32 0.00 0.00 -0.96 -4.98 120.51 111.90 3gol n ALA 306 Ca 0.14 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 3gol n ALA 306 Cb 0.30 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.24 -6.01 -2.81 0.00 5.02 0.13 -4.88 118.16 109.36 3gol n LYS 307 Ca 0.13 0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 56.68 3gol n LYS 307 Cb 0.39 -5.05 -0.06 0.00 -0.02 0.00 0.00 35.03 30.28 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 -5.75 4.30 -0.18 -0.35 1.02 -0.38 -5.03 118.68 112.30 3gol s LEU 308 Ca 0.44 1.79 -0.11 0.00 0.02 0.00 0.00 54.13 56.26 3gol s LEU 308 Cb -0.19 -4.04 -0.05 0.00 0.02 0.00 0.00 46.19 41.93 3gol s LEU 308 CO 0.55 -0.09 0.18 -1.10 0.02 0.00 0.00 176.35 175.91 3gol s GLN 309 N -2.17 4.15 -1.25 1.70 -1.52 -1.26 -4.47 119.66 114.84 3gol s GLN 309 Ca 0.51 -0.12 -0.04 0.00 -1.95 0.00 0.00 55.36 53.76 3gol s GLN 309 Cb -0.17 -3.40 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 3gol s GLN 309 CO 0.22 0.32 0.75 -0.25 -0.25 0.00 0.00 175.29 176.09 3gol n ASP 310 N 3.41 -2.43 -4.70 5.90 10.43 -1.26 -1.40 116.55 126.49 3gol n ASP 310 Ca -0.15 -0.83 -0.42 0.00 2.57 0.00 0.00 54.79 55.96 3gol n ASP 310 Cb 0.52 -4.15 -0.03 0.00 1.84 0.00 0.00 41.12 39.30 3gol n ASP 310 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gol s THR 312 N 1.79 2.20 0.08 0.00 2.01 0.05 -4.99 115.64 116.78 3gol s THR 312 Ca 0.56 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.66 3gol s THR 312 Cb -0.26 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 3gol s THR 312 CO 0.24 0.55 -0.15 0.00 -0.69 0.00 0.00 174.62 174.57 3gol s MET 313 N 0.39 0.91 -0.03 4.92 0.23 -1.26 -0.09 119.30 124.36 3gol s MET 313 Ca -0.17 -1.04 0.06 0.00 -1.03 0.00 0.00 55.69 53.51 3gol s MET 313 Cb -0.17 -0.95 -0.01 0.00 -1.53 0.00 0.00 34.83 32.17 3gol s MET 313 CO 0.07 0.21 -0.21 -1.17 -2.03 0.00 0.00 175.02 171.90 3gol s LEU 314 N -1.88 2.01 -0.05 0.18 2.96 -0.37 -4.42 118.68 117.12 3gol s LEU 314 Ca 0.01 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3gol s LEU 314 Cb -0.09 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.50 3gol s LEU 314 CO 0.03 0.22 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.52 3gol s VAL 315 N -0.24 0.69 -0.29 1.68 1.01 -0.27 -1.73 120.40 121.26 3gol s VAL 315 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3gol s VAL 315 Cb -0.11 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.69 3gol s VAL 315 CO 0.01 0.26 0.09 0.20 0.00 0.00 0.00 175.10 175.66 3gol s ASN 316 N 0.79 3.78 1.22 3.32 0.01 -0.02 -1.19 114.94 122.85 3gol s ASN 316 Ca -0.12 -1.45 0.00 0.00 -0.71 0.00 0.00 52.86 50.57 3gol s ASN 316 Cb -0.15 -0.72 0.00 0.00 0.41 0.00 0.00 41.25 40.79 3gol s ASN 316 CO 0.01 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 3gol n GLY 317 N 4.96 3.40 0.35 0.66 0.00 -1.26 -0.50 105.19 112.79 3gol n GLY 317 Ca -0.04 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 5.25 1.06 -4.91 1.61 5.75 -1.26 -3.82 116.55 120.23 3gol n ASP 318 Ca 0.00 -1.54 -0.32 0.00 -0.01 0.00 0.00 54.79 52.92 3gol n ASP 318 Cb 0.00 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 39.99 3gol n ASP 318 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3gol s ASP 319 N -1.68 6.40 -0.30 -1.12 -0.00 0.34 -4.54 116.67 115.77 3gol s ASP 319 Ca 0.33 0.37 -0.10 0.00 -0.00 0.00 0.00 52.55 53.15 3gol s ASP 319 Cb 0.17 -2.01 0.14 0.00 -0.00 0.00 0.00 42.92 41.22 3gol s ASP 319 CO 0.27 0.20 0.70 -0.22 -0.00 0.00 0.00 175.17 176.12 3gol s LEU 320 N -2.21 -1.08 0.18 1.23 2.96 -1.25 -0.84 118.68 117.67 3gol s LEU 320 Ca 0.32 1.41 0.10 0.00 -0.22 0.00 0.00 54.13 55.73 3gol s LEU 320 Cb -0.13 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.72 3gol s LEU 320 CO 0.23 -0.21 -0.14 0.54 -1.32 0.00 0.00 176.35 175.45 3gol s VAL 321 N 2.84 2.93 -0.10 1.68 0.11 -0.70 -0.97 120.40 126.18 3gol s VAL 321 Ca -0.04 -1.75 -0.08 0.00 -2.93 0.00 0.00 61.98 57.19 3gol s VAL 321 Cb -0.11 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.33 3gol s VAL 321 CO -0.19 -0.09 0.26 0.54 -3.33 0.00 0.00 175.10 172.29 3gol s VAL 322 N -1.65 -0.01 0.17 2.04 0.11 -0.46 -1.23 120.40 119.38 3gol s VAL 322 Ca 0.23 0.04 0.11 0.00 -2.93 0.00 0.00 61.98 59.43 3gol s VAL 322 Cb -0.09 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3gol s VAL 322 CO 0.13 0.02 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.05 3gol s ILE 323 N 0.45 2.36 0.01 7.04 1.01 0.87 -1.77 121.20 131.17 3gol s ILE 323 Ca -0.03 -1.94 -0.28 0.00 0.00 0.00 0.00 60.65 58.40 3gol s ILE 323 Cb -0.04 -2.11 0.10 0.00 0.01 0.00 0.00 42.46 40.42 3gol s ILE 323 CO -0.02 -0.06 1.25 0.00 0.00 0.00 0.00 174.94 176.11 3gol s GLU 325 N -2.21 4.46 0.55 0.00 0.41 -0.49 0.19 118.70 121.61 3gol s GLU 325 Ca 0.23 1.48 -0.18 0.00 -0.41 0.00 0.00 54.97 56.09 3gol s GLU 325 Cb 0.01 -3.49 -0.06 0.00 -1.78 0.00 0.00 34.13 28.81 3gol s GLU 325 CO -0.01 -0.23 1.07 0.45 -0.49 0.00 0.00 175.26 176.05 3gol s SER 326 N 1.12 5.93 0.00 -0.19 0.15 0.23 -4.61 113.70 116.33 3gol s SER 326 Ca 0.52 1.96 0.00 0.00 0.70 0.00 0.00 55.95 59.13 3gol s SER 326 Cb -0.21 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3gol s SER 326 CO 0.23 -1.07 0.87 0.00 1.20 0.00 0.00 173.24 174.48 3gol n ALA 327 N -1.47 1.95 0.00 5.45 0.00 -1.26 -4.91 120.51 120.27 3gol n ALA 327 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3gol n ALA 327 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.38 2.57 0.10 0.00 0.00 -1.26 -4.72 105.19 101.50 3gol n GLY 328 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 3gol n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gol h THR 329 N 0.00 1.04 -0.55 2.61 2.02 -1.99 -0.96 112.91 115.09 3gol h THR 329 Ca 0.00 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3gol h THR 329 Cb 0.00 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3gol h THR 329 CO 0.00 0.04 0.36 -0.61 0.37 0.00 0.00 175.52 175.68 3gol h GLN 330 N 0.23 0.69 0.16 6.66 5.75 -1.98 0.10 115.11 126.72 3gol h GLN 330 Ca 0.06 -0.04 -0.25 0.00 -0.15 0.00 0.00 58.65 58.27 3gol h GLN 330 Cb -0.03 -0.16 0.03 0.00 1.07 0.00 0.00 27.48 28.40 3gol h GLN 330 CO -0.01 0.46 -1.07 0.93 -2.65 0.00 0.00 178.83 176.49 3gol h GLU 331 N 0.71 0.44 -0.37 1.69 4.39 -1.76 -1.71 114.58 117.99 3gol h GLU 331 Ca 0.21 -0.69 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 3gol h GLU 331 Cb -0.04 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3gol h GLU 331 CO -0.05 1.31 0.08 -0.44 -1.16 0.00 0.00 179.01 178.76 3gol h ASP 332 N -0.08 0.56 -0.75 1.42 3.32 -0.87 0.69 116.42 120.71 3gol h ASP 332 Ca -0.18 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 56.70 3gol h ASP 332 Cb 1.82 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 41.16 3gol h ASP 332 CO 0.20 0.65 0.43 0.00 -1.72 0.00 0.00 179.24 178.80 3gol h ALA 333 N 0.93 1.03 -0.16 3.45 0.00 -0.90 0.51 119.26 124.12 3gol h ALA 333 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gol h ALA 333 Cb 0.32 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gol h ALA 333 CO 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.28 3gol h ALA 334 N 1.39 0.22 -0.74 0.00 0.00 -0.75 -2.31 119.26 117.08 3gol h ALA 334 Ca 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gol h ALA 334 Cb 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3gol h ALA 334 CO -0.20 0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.47 3gol h ALA 335 N 0.68 1.31 -0.32 0.00 0.00 0.54 -2.29 119.26 119.19 3gol h ALA 335 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3gol h ALA 335 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gol h ALA 335 CO 0.02 0.56 -0.34 1.25 0.00 0.00 0.00 179.25 180.74 3gol h LEU 336 N 1.03 0.73 -1.56 0.00 5.85 -0.87 -1.14 115.31 119.35 3gol h LEU 336 Ca 0.26 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3gol h LEU 336 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3gol h LEU 336 CO -0.04 1.00 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.95 3gol h ARG 337 N 0.59 0.25 -0.03 1.25 2.43 -0.91 -1.08 114.38 116.88 3gol h ARG 337 Ca 0.06 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 3gol h ARG 337 Cb 0.85 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3gol h ARG 337 CO 0.07 0.30 -0.51 0.00 -1.51 0.00 0.00 179.97 178.32 3gol h ALA 338 N 1.74 0.10 0.19 2.80 0.00 -1.04 -2.40 119.26 120.65 3gol h ALA 338 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3gol h ALA 338 Cb 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3gol h ALA 338 CO 0.01 0.31 -0.26 0.35 0.00 0.00 0.00 179.25 179.66 3gol h PHE 339 N -0.12 -0.68 -0.66 0.00 3.04 -1.04 -0.40 116.94 117.07 3gol h PHE 339 Ca -0.06 0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.04 3gol h PHE 339 Cb 1.21 0.28 -0.12 0.00 2.56 0.00 0.00 35.95 39.88 3gol h PHE 339 CO 0.14 -0.37 -0.11 1.15 -2.02 0.00 0.00 178.31 177.10 3gol h THR 340 N -0.51 0.37 -0.34 4.41 2.02 -1.29 -0.23 112.91 117.33 3gol h THR 340 Ca 0.01 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3gol h THR 340 Cb 0.50 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 3gol h THR 340 CO -0.10 0.01 0.05 -0.33 0.37 0.00 0.00 175.52 175.52 3gol h GLU 341 N 0.03 0.16 -0.41 6.66 5.08 -0.78 -0.23 114.58 125.09 3gol h GLU 341 Ca 0.33 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3gol h GLU 341 Cb 0.53 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3gol h GLU 341 CO -0.65 0.10 0.24 0.00 -1.00 0.00 0.00 179.01 177.71 3gol h ALA 342 N 1.27 0.53 -0.95 3.43 0.00 0.35 -0.64 119.26 123.25 3gol h ALA 342 Ca 0.16 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3gol h ALA 342 Cb 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3gol h ALA 342 CO -0.23 0.03 0.59 0.52 0.00 0.00 0.00 179.25 180.15 3gol h MET 343 N 0.54 0.94 -0.87 0.00 2.86 -0.63 0.02 114.93 117.79 3gol h MET 343 Ca 0.15 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3gol h MET 343 Cb 0.02 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.42 3gol h MET 343 CO -0.03 0.62 0.49 1.15 1.06 0.00 0.00 176.91 180.20 3gol h THR 344 N 0.97 1.25 -0.01 2.22 2.02 -0.03 0.30 112.91 119.64 3gol h THR 344 Ca 0.45 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3gol h THR 344 Cb 0.38 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3gol h THR 344 CO -0.24 0.28 -0.29 0.03 0.37 0.00 0.00 175.52 175.67 3gol h ARG 345 N 1.22 0.01 -0.95 6.66 3.08 0.41 -1.74 114.38 123.07 3gol h ARG 345 Ca 0.31 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.17 3gol h ARG 345 Cb 0.02 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.95 3gol h ARG 345 CO -0.05 0.30 0.24 0.66 -1.07 0.00 0.00 179.97 180.04 3gol n TYR 346 N -4.19 1.34 -4.14 3.04 4.01 -0.27 -1.12 117.16 115.83 3gol n TYR 346 Ca -0.02 -0.94 -0.45 0.00 -0.16 0.00 0.00 57.90 56.33 3gol n TYR 346 Cb 0.34 -0.51 -0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3gol n TYR 346 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3gol n SER 347 N -0.14 -3.17 -3.18 7.72 3.41 -0.65 -4.93 113.62 112.67 3gol n SER 347 Ca 0.25 -1.31 -0.19 0.00 -0.26 0.00 0.00 58.87 57.35 3gol n SER 347 Cb 0.97 -1.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.30 3gol n SER 347 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gol n ALA 348 N -5.02 2.15 -1.79 7.33 0.00 0.99 -4.63 120.51 119.53 3gol n ALA 348 Ca -0.15 -3.44 -0.34 0.00 0.00 0.00 0.00 53.44 49.51 3gol n ALA 348 Cb 0.59 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.26 3.71 0.62 0.00 0.04 -1.26 -3.96 135.00 131.89 3gol s PRO 349 Ca 0.39 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 3gol s PRO 349 Cb 0.32 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 3gol s PRO 349 CO -0.09 -0.52 1.04 -1.25 0.04 0.00 0.00 177.00 176.23 3gol s PRO 350 N -3.24 3.34 0.00 0.56 0.04 -1.26 -1.74 135.00 132.71 3gol s PRO 350 Ca 0.68 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3gol s PRO 350 Cb -0.18 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3gol s PRO 350 CO 0.21 -0.77 0.26 0.41 0.04 0.00 0.00 177.00 177.15 3gol n GLY 351 N -1.83 -1.10 3.52 0.56 0.00 -0.12 -4.11 105.19 102.11 3gol n GLY 351 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.62 5.00 0.06 1.61 1.01 -1.26 -4.92 116.67 116.55 3gol s ASP 352 Ca 0.00 -0.10 -0.38 0.00 0.71 0.00 0.00 52.55 52.79 3gol s ASP 352 Cb 0.00 -1.84 -0.18 0.00 1.01 0.00 0.00 42.92 41.91 3gol s ASP 352 CO 0.00 0.14 1.15 -2.65 0.21 0.00 0.00 175.17 174.03 3gol n PRO 353 N 3.72 0.53 -1.29 8.23 -0.02 -1.26 -4.80 135.00 140.11 3gol n PRO 353 Ca -0.17 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 3gol n PRO 353 Cb 0.52 -1.72 0.11 0.00 -0.02 0.00 0.00 33.50 32.39 3gol n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gol s PRO 354 N 0.10 1.77 -0.01 0.52 0.04 -1.26 -5.06 135.00 131.09 3gol s PRO 354 Ca 0.86 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.81 3gol s PRO 354 Cb -1.10 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 31.59 3gol s PRO 354 CO 0.53 -1.91 -0.01 -0.65 0.04 0.00 0.00 177.00 175.00 3gol s GLN 355 N -4.96 0.19 -0.08 4.56 -0.21 -1.26 -5.01 119.66 112.89 3gol s GLN 355 Ca 0.62 -0.00 -0.30 0.00 0.02 0.00 0.00 55.36 55.70 3gol s GLN 355 Cb -0.17 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 3gol s GLN 355 CO 0.56 -0.03 1.52 -1.25 -2.12 0.00 0.00 175.29 173.97 3gol s PRO 356 N 0.39 4.20 -0.20 2.91 0.04 -1.26 -4.73 135.00 136.35 3gol s PRO 356 Ca -0.04 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 3gol s PRO 356 Cb -0.06 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 3gol s PRO 356 CO -0.01 -0.79 0.11 -2.00 0.04 0.00 0.00 177.00 174.36 3gol s GLU 357 N 3.75 4.12 -0.12 4.56 2.56 0.26 -4.92 118.70 128.91 3gol s GLU 357 Ca 0.67 -0.26 0.17 0.00 0.00 0.00 0.00 54.97 55.55 3gol s GLU 357 Cb -0.30 -3.37 0.65 0.00 2.00 0.00 0.00 34.13 33.11 3gol s GLU 357 CO 0.25 0.27 1.56 0.66 -0.56 0.00 0.00 175.26 177.45 3gol n TYR 358 N 3.58 1.32 -4.14 5.30 4.01 -1.26 -1.11 117.16 124.85 3gol n TYR 358 Ca -0.16 -0.65 -0.19 0.00 -0.16 0.00 0.00 57.90 56.74 3gol n TYR 358 Cb 0.52 -0.25 -0.16 0.00 -0.31 0.00 0.00 39.34 39.14 3gol n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gol s ASP 359 N -1.08 0.82 0.23 7.72 -1.08 -1.26 -5.00 116.67 117.02 3gol s ASP 359 Ca 0.47 -0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 52.35 3gol s ASP 359 Cb 0.31 -0.37 0.24 0.00 -1.46 0.00 0.00 42.92 41.64 3gol s ASP 359 CO 0.20 -0.04 1.67 0.25 0.52 0.00 0.00 175.17 177.78 3gol h LEU 360 N 7.01 0.77 -1.57 -1.34 5.85 -1.95 -2.46 115.31 121.63 3gol h LEU 360 Ca -0.38 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.04 3gol h LEU 360 Cb 1.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3gol h LEU 360 CO 0.48 0.93 -0.23 -0.08 -0.34 0.00 0.00 178.44 179.20 3gol h GLU 361 N 0.69 0.00 -0.02 1.25 4.81 -1.97 -2.90 114.58 116.44 3gol h GLU 361 Ca 0.11 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 3gol h GLU 361 Cb 0.64 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3gol h GLU 361 CO 0.05 0.23 -0.85 -0.07 -0.73 0.00 0.00 179.01 177.64 3gol h LEU 362 N 0.00 0.40 -9.62 1.64 4.07 -1.74 -3.40 115.31 106.66 3gol h LEU 362 Ca -0.00 -0.30 -0.52 0.00 0.08 0.00 0.00 57.88 57.13 3gol h LEU 362 Cb 0.43 -0.12 0.06 0.00 1.08 0.00 0.00 40.66 42.10 3gol h LEU 362 CO 0.03 1.08 1.03 -0.38 -1.08 0.00 0.00 178.44 179.12 3gol n ILE 363 N -3.74 0.08 -4.68 1.22 5.41 -1.09 -4.98 119.36 111.57 3gol n ILE 363 Ca -0.05 -0.01 -0.32 0.00 1.00 0.00 0.00 62.75 63.37 3gol n ILE 363 Cb 0.78 -2.01 -0.12 0.00 -0.71 0.00 0.00 39.64 37.58 3gol n ILE 363 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3gol s THR 364 N 1.49 3.09 -0.30 1.39 -1.32 -1.26 -4.52 115.64 114.22 3gol s THR 364 Ca 0.77 -0.94 -0.12 0.00 -1.21 0.00 0.00 61.69 60.18 3gol s THR 364 Cb -0.50 -2.29 0.15 0.00 -1.51 0.00 0.00 72.50 68.35 3gol s THR 364 CO 0.33 0.43 0.80 -0.55 -2.21 0.00 0.00 174.62 173.42 3gol s SER 365 N -1.22 -0.90 -1.30 8.08 0.15 0.22 -4.67 113.70 114.05 3gol s SER 365 Ca 0.14 1.21 -0.06 0.00 0.70 0.00 0.00 55.95 57.95 3gol s SER 365 Cb -0.11 2.02 -0.00 0.00 -1.71 0.00 0.00 66.02 66.21 3gol s SER 365 CO 0.04 -0.17 0.61 0.00 1.20 0.00 0.00 173.24 174.92 3gol n SER 367 N -2.93 -3.99 -4.10 0.00 7.64 -1.26 -4.92 113.62 104.06 3gol n SER 367 Ca -0.25 0.21 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 3gol n SER 367 Cb 0.66 -3.46 -0.09 0.00 -1.01 0.00 0.00 64.21 60.31 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 -2.06 0.19 0.16 6.43 0.01 -0.54 -4.40 113.70 113.50 3gol s SER 368 Ca 0.00 -1.14 -0.14 0.00 1.31 0.00 0.00 55.95 55.98 3gol s SER 368 Cb 0.00 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.61 3gol s SER 368 CO 0.00 -0.81 0.39 0.54 0.41 0.00 0.00 173.24 173.77 3gol s ASN 369 N -3.05 -0.12 0.20 2.44 4.22 -0.92 0.68 114.94 118.40 3gol s ASN 369 Ca 0.25 -0.58 -0.25 0.00 -2.14 0.00 0.00 52.86 50.14 3gol s ASN 369 Cb 0.06 0.49 -0.08 0.00 1.28 0.00 0.00 41.25 42.99 3gol s ASN 369 CO 0.03 -0.92 0.80 -0.69 -2.04 0.00 0.00 177.10 174.28 3gol s VAL 370 N -3.88 4.36 0.34 3.54 1.01 -1.26 -0.88 120.40 123.62 3gol s VAL 370 Ca 0.10 1.67 0.03 0.00 0.00 0.00 0.00 61.98 63.78 3gol s VAL 370 Cb 0.02 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3gol s VAL 370 CO -0.05 0.41 0.10 -0.55 0.00 0.00 0.00 175.10 175.01 3gol s SER 371 N -1.32 2.25 0.06 3.32 0.15 0.05 -4.45 113.70 113.76 3gol s SER 371 Ca 0.40 -1.50 0.09 0.00 0.70 0.00 0.00 55.95 55.63 3gol s SER 371 Cb -0.21 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.28 3gol s SER 371 CO 0.25 -0.77 -0.24 -0.69 1.20 0.00 0.00 173.24 172.99 3gol s VAL 372 N -3.37 1.98 0.30 4.45 1.01 -1.26 -1.86 120.40 121.64 3gol s VAL 372 Ca 0.32 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 3gol s VAL 372 Cb 0.06 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3gol s VAL 372 CO 0.15 0.25 0.65 0.00 0.00 0.00 0.00 175.10 176.15 3gol s ALA 373 N -0.86 -0.73 -0.07 5.51 0.00 0.25 -2.94 121.76 122.92 3gol s ALA 373 Ca 0.10 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3gol s ALA 373 Cb -0.10 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3gol s ALA 373 CO 0.03 -0.96 -0.13 -1.01 0.00 0.00 0.00 175.76 173.68 3gol s HIS 374 N -3.58 2.75 0.49 0.00 3.76 -1.25 0.11 115.29 117.57 3gol s HIS 374 Ca 0.16 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 3gol s HIS 374 Cb -0.04 -1.68 0.10 0.00 1.11 0.00 0.00 32.58 32.07 3gol s HIS 374 CO 0.09 0.12 0.67 -0.40 -0.85 0.00 0.00 174.74 174.38 3gol n ASP 375 N 2.55 0.82 -0.32 1.40 3.85 -0.07 -1.06 116.55 123.71 3gol n ASP 375 Ca -0.17 -1.71 0.11 0.00 -0.71 0.00 0.00 54.79 52.31 3gol n ASP 375 Cb 0.52 -0.44 0.29 0.00 -1.35 0.00 0.00 41.12 40.14 3gol n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gol h ALA 376 N -0.66 1.49 -0.06 2.12 0.00 -1.88 -2.38 119.26 117.89 3gol h ALA 376 Ca -0.22 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gol h ALA 376 Cb 0.80 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3gol h ALA 376 CO 0.23 -0.13 0.05 -1.13 0.00 0.00 0.00 179.25 178.27 3gol n SER 377 N -4.86 4.25 0.00 0.00 3.41 -1.26 -4.76 113.62 110.39 3gol n SER 377 Ca 0.21 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 3gol n SER 377 Cb 0.54 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3gol n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gol n GLY 378 N 0.87 0.02 3.86 5.00 0.00 -0.89 -4.93 105.19 109.11 3gol n GLY 378 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3gol n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gol s LYS 379 N -1.40 3.57 0.75 1.61 2.20 -1.24 -4.82 119.74 120.41 3gol s LYS 379 Ca 0.00 -0.12 -0.13 0.00 -0.36 0.00 0.00 55.97 55.36 3gol s LYS 379 Cb 0.00 -3.23 0.05 0.00 -1.51 0.00 0.00 37.83 33.15 3gol s LYS 379 CO 0.00 0.70 1.13 1.03 -0.36 0.00 0.00 175.35 177.85 3gol s ARG 380 N -0.82 2.20 -0.16 4.03 0.52 -1.26 -0.89 118.95 122.56 3gol s ARG 380 Ca 0.14 1.41 -0.22 0.00 -0.52 0.00 0.00 55.73 56.54 3gol s ARG 380 Cb -0.12 -1.87 0.06 0.00 0.52 0.00 0.00 34.95 33.53 3gol s ARG 380 CO 0.03 -1.72 0.57 0.08 0.02 0.00 0.00 175.30 174.28 3gol s VAL 381 N -2.52 0.01 -0.14 3.52 1.01 0.31 -4.76 120.40 117.82 3gol s VAL 381 Ca 0.66 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 3gol s VAL 381 Cb -0.21 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3gol s VAL 381 CO 0.50 -0.03 -0.07 -0.31 0.00 0.00 0.00 175.10 175.19 3gol s TYR 382 N -0.21 2.96 0.06 5.22 2.02 -1.26 -0.59 117.35 125.55 3gol s TYR 382 Ca -0.04 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3gol s TYR 382 Cb -0.03 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3gol s TYR 382 CO 0.03 -0.06 -0.07 1.52 -1.57 0.00 0.00 175.55 175.40 3gol s TYR 383 N 0.28 0.71 -0.10 2.71 1.13 -0.78 -4.94 117.35 116.37 3gol s TYR 383 Ca -0.05 -0.64 -0.24 0.00 -1.41 0.00 0.00 57.07 54.73 3gol s TYR 383 Cb -0.14 -0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 40.26 3gol s TYR 383 CO 0.04 -0.12 0.74 -1.17 -2.51 0.00 0.00 175.55 172.53 3gol s LEU 384 N -2.03 4.27 0.00 -3.49 1.98 -1.26 -0.77 118.68 117.38 3gol s LEU 384 Ca -0.04 1.18 0.01 0.00 -2.89 0.00 0.00 54.13 52.40 3gol s LEU 384 Cb -0.05 -3.13 -0.00 0.00 0.66 0.00 0.00 46.19 43.67 3gol s LEU 384 CO -0.01 -0.20 0.05 1.07 -1.89 0.00 0.00 176.35 175.36 3gol n THR 385 N 4.08 0.00 -3.58 3.68 5.66 -0.06 -4.77 114.28 119.29 3gol n THR 385 Ca 0.00 -0.55 -0.15 0.00 -3.05 0.00 0.00 64.05 60.31 3gol n THR 385 Cb 0.51 0.23 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 3gol n THR 385 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3gol s ARG 386 N -2.34 1.00 0.03 1.09 3.52 -1.26 -2.16 118.95 118.83 3gol s ARG 386 Ca 0.06 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 3gol s ARG 386 Cb 0.00 0.46 -0.06 0.00 -1.56 0.00 0.00 34.95 33.79 3gol s ARG 386 CO 0.05 -0.34 1.48 0.34 -0.81 0.00 0.00 175.30 176.01 3gol s ASP 387 N -1.71 6.77 0.03 -2.12 3.68 -1.26 -4.92 116.67 117.14 3gol s ASP 387 Ca -0.08 2.23 0.27 0.00 2.13 0.00 0.00 52.55 57.11 3gol s ASP 387 Cb -0.01 -2.56 0.83 0.00 -1.45 0.00 0.00 42.92 39.72 3gol s ASP 387 CO 0.02 -0.77 1.65 -0.81 0.13 0.00 0.00 175.17 175.39 3gol n PRO 388 N 5.39 0.04 -0.15 4.34 -0.04 -1.26 -4.45 135.00 138.87 3gol n PRO 388 Ca 0.14 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 3gol n PRO 388 Cb 0.43 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 3gol n PRO 388 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3gol n THR 389 N -1.61 -0.24 0.06 0.52 -1.04 -1.26 -1.48 114.28 109.23 3gol n THR 389 Ca 0.06 1.66 -0.13 0.00 -2.04 0.00 0.00 64.05 63.60 3gol n THR 389 Cb 0.35 -2.13 -0.08 0.00 -1.82 0.00 0.00 70.33 66.65 3gol n THR 389 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3gol h THR 390 N 0.00 1.01 -0.81 12.58 2.02 -1.98 -1.80 112.91 123.92 3gol h THR 390 Ca 0.06 -0.28 0.15 0.00 0.77 0.00 0.00 66.41 67.12 3gol h THR 390 Cb 0.15 1.19 -0.15 0.00 -1.74 0.00 0.00 68.15 67.60 3gol h THR 390 CO -0.34 0.07 -0.25 -0.65 0.37 0.00 0.00 175.52 174.72 3gol h PRO 391 N -0.22 -0.03 -0.55 6.66 0.11 -1.79 -2.10 132.00 134.09 3gol h PRO 391 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3gol h PRO 391 Cb 0.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3gol h PRO 391 CO 0.02 -0.02 0.25 -0.07 -0.21 0.00 0.00 178.00 177.97 3gol h LEU 392 N -0.03 0.72 -1.85 2.35 3.38 -0.93 0.01 115.31 118.96 3gol h LEU 392 Ca 0.37 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.32 3gol h LEU 392 Cb 0.60 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3gol h LEU 392 CO -0.85 0.66 0.37 0.00 0.09 0.00 0.00 178.44 178.72 3gol h ALA 393 N 1.09 2.29 0.14 1.53 0.00 -0.81 -1.54 119.26 121.95 3gol h ALA 393 Ca 0.19 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 3gol h ALA 393 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gol h ALA 393 CO -0.02 -0.43 -1.61 0.00 0.00 0.00 0.00 179.25 177.19 3gol h ARG 394 N 0.16 0.29 -0.69 0.00 3.08 -0.72 -2.99 114.38 113.51 3gol h ARG 394 Ca 0.25 -0.49 0.10 0.00 0.07 0.00 0.00 59.98 59.91 3gol h ARG 394 Cb 0.79 0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 3gol h ARG 394 CO -0.04 1.16 0.32 0.00 -1.07 0.00 0.00 179.97 180.35 3gol h ALA 395 N 0.38 0.94 -0.50 0.04 0.00 -0.63 -0.38 119.26 119.13 3gol h ALA 395 Ca -0.28 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3gol h ALA 395 Cb 2.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 3gol h ALA 395 CO 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 3gol h ALA 396 N 1.43 0.67 0.26 0.00 0.00 -1.36 -1.40 119.26 118.86 3gol h ALA 396 Ca 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gol h ALA 396 Cb 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gol h ALA 396 CO -0.28 0.50 -0.12 2.35 0.00 0.00 0.00 179.25 181.69 3gol h TRP 397 N 0.75 -0.32 0.00 0.00 2.91 -1.33 -1.90 115.95 116.06 3gol h TRP 397 Ca 0.14 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3gol h TRP 397 Cb 0.55 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 3gol h TRP 397 CO 0.04 -0.14 0.00 0.93 -1.03 0.00 0.00 178.44 178.24 3gol h GLU 398 N -0.43 0.00 0.08 2.65 5.08 -1.04 1.19 114.58 122.11 3gol h GLU 398 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 3gol h GLU 398 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 3gol h GLU 398 CO 0.06 0.00 -1.13 1.15 -1.00 0.00 0.00 179.01 178.09 3gol h THR 399 N 0.00 1.40 0.00 1.13 2.02 -1.05 -3.42 112.91 112.99 3gol h THR 399 Ca 0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 3gol h THR 399 Cb 0.26 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3gol h THR 399 CO 0.00 0.79 0.00 0.00 0.37 0.00 0.00 175.52 176.68 3gol n ALA 400 N -2.58 0.00 -2.61 6.16 0.00 0.58 -4.64 120.51 117.42 3gol n ALA 400 Ca -0.09 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 3gol n ALA 400 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.36 3gol n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gol s ARG 401 N -0.52 3.83 0.19 0.00 1.81 0.38 -4.99 118.95 119.66 3gol s ARG 401 Ca 0.00 0.66 -0.33 0.00 -1.72 0.00 0.00 55.73 54.34 3gol s ARG 401 Cb 0.00 -3.83 -0.13 0.00 -0.45 0.00 0.00 34.95 30.55 3gol s ARG 401 CO 0.00 -1.08 1.68 1.58 -0.68 0.00 0.00 175.30 176.80 3gol n HIS 402 N 7.13 2.60 -4.38 -0.53 -0.00 -1.26 -3.97 115.22 114.80 3gol n HIS 402 Ca 0.10 0.11 -0.25 0.00 0.46 0.00 0.00 57.72 58.13 3gol n HIS 402 Cb 0.48 -2.63 -0.12 0.00 -0.12 0.00 0.00 29.99 27.60 3gol n HIS 402 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 3gol s THR 403 N 1.14 2.10 0.33 3.57 -1.32 -1.26 -5.05 115.64 115.15 3gol s THR 403 Ca 0.77 -1.93 0.01 0.00 -1.21 0.00 0.00 61.69 59.33 3gol s THR 403 Cb -0.56 -1.96 0.26 0.00 -1.51 0.00 0.00 72.50 68.73 3gol s THR 403 CO 0.34 -0.17 2.00 1.55 -2.21 0.00 0.00 174.62 176.13 3gol h PRO 404 N 3.35 0.91 -3.97 7.08 0.13 -1.97 -3.42 132.00 134.11 3gol h PRO 404 Ca -0.45 -0.05 -0.35 0.00 -0.87 0.00 0.00 66.00 64.28 3gol h PRO 404 Cb 1.20 -0.21 -0.32 0.00 0.13 0.00 0.00 31.00 31.81 3gol h PRO 404 CO 0.48 0.60 -0.75 -1.50 -0.23 0.00 0.00 178.00 176.60 3gol s ILE 405 N -5.79 0.33 -0.74 -3.56 2.07 -1.26 -4.66 121.20 107.59 3gol s ILE 405 Ca -0.10 -0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 58.95 3gol s ILE 405 Cb 0.18 -0.35 0.19 0.00 0.13 0.00 0.00 42.46 42.61 3gol s ILE 405 CO 0.77 0.15 0.65 0.20 -1.91 0.00 0.00 174.94 174.80 3gol s ASN 406 N 0.59 6.37 0.46 4.50 0.01 -0.84 -4.92 114.94 121.11 3gol s ASN 406 Ca -0.06 -2.56 0.15 0.00 -0.71 0.00 0.00 52.86 49.68 3gol s ASN 406 Cb -0.10 -2.14 1.10 0.00 0.41 0.00 0.00 41.25 40.53 3gol s ASN 406 CO -0.01 -0.58 2.00 0.77 -1.51 0.00 0.00 177.10 177.78 3gol h SER 407 N 7.83 0.28 -0.91 -1.22 4.64 -1.93 0.18 113.55 122.41 3gol h SER 407 Ca 0.02 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.52 3gol h SER 407 Cb 1.03 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.00 3gol h SER 407 CO 0.79 0.17 0.59 4.11 -0.87 0.00 0.00 176.83 181.62 3gol h TRP 408 N 0.31 0.73 -0.39 4.77 5.08 -1.89 0.30 115.95 124.86 3gol h TRP 408 Ca 0.24 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 60.13 3gol h TRP 408 Cb 0.53 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 3gol h TRP 408 CO -0.00 0.22 -0.13 1.25 -1.28 0.00 0.00 178.44 178.50 3gol h LEU 409 N 0.57 0.80 -0.04 0.11 5.85 -1.03 -2.04 115.31 119.53 3gol h LEU 409 Ca 0.48 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3gol h LEU 409 Cb 0.96 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3gol h LEU 409 CO -0.22 1.00 0.02 1.23 -0.34 0.00 0.00 178.44 180.13 3gol h GLY 410 N 0.59 0.06 1.38 3.75 0.00 -1.07 -2.93 103.07 104.86 3gol h GLY 410 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3gol h GLY 410 CO 0.05 0.03 0.41 3.43 0.00 0.00 0.00 176.54 180.45 3gol h ASN 411 N -0.02 0.73 0.44 0.19 2.35 -0.43 -0.48 115.58 118.35 3gol h ASN 411 Ca 0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3gol h ASN 411 Cb 0.09 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3gol h ASN 411 CO -0.00 0.54 -0.21 0.40 -1.65 0.00 0.00 177.43 176.50 3gol h ILE 412 N 0.86 0.56 0.01 2.81 2.04 -1.32 0.19 117.51 122.66 3gol h ILE 412 Ca 0.23 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.96 3gol h ILE 412 Cb -0.08 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3gol h ILE 412 CO -0.05 0.03 -0.09 0.40 0.00 0.00 0.00 178.15 178.44 3gol h ILE 413 N -0.68 0.77 -0.41 -0.67 2.04 -1.27 0.25 117.51 117.55 3gol h ILE 413 Ca -0.06 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3gol h ILE 413 Cb 0.50 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3gol h ILE 413 CO 0.10 0.00 -0.24 0.24 0.00 0.00 0.00 178.15 178.25 3gol h MET 414 N -0.16 0.89 -0.77 2.37 2.86 -1.11 -3.25 114.93 115.75 3gol h MET 414 Ca 0.03 -0.40 -0.53 0.00 -2.06 0.00 0.00 59.70 56.74 3gol h MET 414 Cb 0.20 -0.02 -0.32 0.00 0.06 0.00 0.00 31.60 31.52 3gol h MET 414 CO -0.08 1.05 -0.08 0.66 1.06 0.00 0.00 176.91 179.52 3gol n TYR 415 N -4.18 2.63 -0.33 -0.22 4.01 0.67 -4.76 117.16 114.98 3gol n TYR 415 Ca -0.01 -2.38 0.12 0.00 -0.16 0.00 0.00 57.90 55.47 3gol n TYR 415 Cb 0.46 -0.76 0.34 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.88 1.74 0.00 -0.72 0.00 -0.54 -1.36 119.26 120.26 3gol h ALA 416 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3gol h ALA 416 Cb 1.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gol h ALA 416 CO 0.99 -0.04 0.00 -0.35 0.00 0.00 0.00 179.25 179.84 3gol n PRO 417 N -4.66 0.21 -2.28 0.00 -0.05 -1.26 -4.49 135.00 122.47 3gol n PRO 417 Ca 0.21 0.24 -0.42 0.00 -0.05 0.00 0.00 63.50 63.47 3gol n PRO 417 Cb 0.52 -1.77 -0.03 0.00 -0.05 0.00 0.00 33.50 32.17 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 -3.14 3.92 0.04 0.52 -4.23 -0.51 -4.91 115.64 107.34 3gol s THR 418 Ca 0.09 1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.79 3gol s THR 418 Cb 0.12 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.19 3gol s THR 418 CO 0.53 -0.04 0.32 -0.11 -0.54 0.00 0.00 174.62 174.78 3gol n LEU 419 N 5.86 -0.17 -0.15 4.79 7.94 -1.26 -1.14 117.00 132.88 3gol n LEU 419 Ca 0.13 0.36 -0.10 0.00 -1.11 0.00 0.00 56.01 55.30 3gol n LEU 419 Cb 0.44 -0.07 -0.01 0.00 0.53 0.00 0.00 43.42 44.32 3gol n LEU 419 CO 0.58 -0.31 0.81 4.11 -1.11 0.00 0.00 177.39 181.46 3gol h TRP 420 N 0.00 0.81 -0.05 1.96 5.08 -1.92 0.09 115.95 121.91 3gol h TRP 420 Ca 0.06 -0.13 0.01 0.00 1.08 0.00 0.00 58.89 59.90 3gol h TRP 420 Cb 0.11 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.05 3gol h TRP 420 CO -0.19 0.79 0.01 0.00 -1.28 0.00 0.00 178.44 177.77 3gol h ALA 421 N 0.91 0.05 -0.38 0.11 0.00 -1.36 -1.34 119.26 117.26 3gol h ALA 421 Ca 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3gol h ALA 421 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3gol h ALA 421 CO 0.02 -0.47 0.10 0.00 0.00 0.00 0.00 179.25 178.90 3gol h ARG 422 N 0.03 0.60 0.15 0.00 3.08 -1.15 0.67 114.38 117.75 3gol h ARG 422 Ca 0.02 -0.14 -0.33 0.00 0.07 0.00 0.00 59.98 59.61 3gol h ARG 422 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3gol h ARG 422 CO -0.03 0.62 -1.63 0.52 -1.07 0.00 0.00 179.97 178.38 3gol h MET 423 N 0.46 0.32 0.00 0.04 2.86 -0.99 -3.35 114.93 114.28 3gol h MET 423 Ca 0.12 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 3gol h MET 423 Cb 0.28 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3gol h MET 423 CO -0.00 1.21 0.00 -0.89 1.06 0.00 0.00 176.91 178.29 3gol n ILE 424 N -3.52 0.00 -0.28 -1.22 5.41 -0.52 -4.27 119.36 114.96 3gol n ILE 424 Ca -0.20 0.30 -0.03 0.00 1.00 0.00 0.00 62.75 63.82 3gol n ILE 424 Cb 1.06 -1.29 0.03 0.00 -0.71 0.00 0.00 39.64 38.73 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 0.00 -1.23 0.60 1.39 4.07 -1.22 -0.22 115.31 118.70 3gol h LEU 425 Ca 0.00 0.26 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 3gol h LEU 425 Cb 0.00 0.64 0.01 0.00 1.08 0.00 0.00 40.66 42.39 3gol h LEU 425 CO 0.00 -0.30 -0.29 0.24 -1.08 0.00 0.00 178.44 177.02 3gol h MET 426 N -0.09 -0.77 -0.86 1.13 2.86 -1.05 -2.57 114.93 113.57 3gol h MET 426 Ca 0.29 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.12 3gol h MET 426 Cb 0.57 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.27 3gol h MET 426 CO -0.81 -0.52 -0.33 2.41 1.06 0.00 0.00 176.91 178.72 3gol n THR 427 N -4.42 -0.45 -0.04 2.22 -1.04 -0.80 -1.64 114.28 108.11 3gol n THR 427 Ca -0.10 2.01 -0.12 0.00 -2.04 0.00 0.00 64.05 63.80 3gol n THR 427 Cb 0.32 -2.67 -0.07 0.00 -1.82 0.00 0.00 70.33 66.09 3gol n THR 427 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 3gol h HIS 428 N 0.00 0.27 0.19 -1.42 6.17 -1.05 -2.65 115.15 116.66 3gol h HIS 428 Ca 0.31 -0.06 -0.31 0.00 0.71 0.00 0.00 60.37 61.02 3gol h HIS 428 Cb 0.52 -0.07 0.03 0.00 2.52 0.00 0.00 27.41 30.42 3gol h HIS 428 CO -0.75 0.54 -1.35 0.74 0.71 0.00 0.00 177.93 177.81 3gol h PHE 429 N -0.08 0.90 0.00 5.26 0.04 -1.00 -2.30 116.94 119.76 3gol h PHE 429 Ca 0.03 -0.62 -0.02 0.00 2.80 0.00 0.00 57.97 60.16 3gol h PHE 429 Cb 0.45 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3gol h PHE 429 CO 0.05 1.47 -0.10 0.74 -0.60 0.00 0.00 178.31 179.88 3gol h PHE 430 N 0.18 0.00 0.38 -0.55 0.04 -1.42 0.26 116.94 115.83 3gol h PHE 430 Ca -0.21 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 3gol h PHE 430 Cb 2.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.20 3gol h PHE 430 CO 0.11 0.10 -0.19 1.03 -0.60 0.00 0.00 178.31 178.76 3gol h SER 431 N 0.00 -0.45 -0.69 2.17 0.87 -1.33 -1.56 113.55 112.57 3gol h SER 431 Ca -0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3gol h SER 431 Cb 0.17 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3gol h SER 431 CO 0.01 -0.31 0.31 0.40 -0.53 0.00 0.00 176.83 176.70 3gol h ILE 432 N -0.52 1.23 -0.07 2.23 1.08 -0.66 -1.38 117.51 119.43 3gol h ILE 432 Ca -0.05 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 3gol h ILE 432 Cb 0.40 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3gol h ILE 432 CO 0.08 0.29 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.73 3gol h LEU 433 N 1.01 0.14 -0.66 1.44 4.07 -1.05 -2.30 115.31 117.97 3gol h LEU 433 Ca 0.24 -0.40 0.08 0.00 0.08 0.00 0.00 57.88 57.88 3gol h LEU 433 Cb 0.16 -0.04 -0.11 0.00 1.08 0.00 0.00 40.66 41.75 3gol h LEU 433 CO -0.03 0.51 -0.50 0.25 -1.08 0.00 0.00 178.44 177.60 3gol h LEU 434 N -0.23 -1.74 -1.05 1.67 5.85 -0.80 0.28 115.31 119.29 3gol h LEU 434 Ca 0.02 0.27 0.08 0.00 0.84 0.00 0.00 57.88 59.09 3gol h LEU 434 Cb 0.46 0.77 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 3gol h LEU 434 CO 0.01 -0.33 0.63 0.00 -0.34 0.00 0.00 178.44 178.41 3gol h ALA 435 N 0.47 1.47 -0.16 1.25 0.00 -1.21 -2.35 119.26 118.73 3gol h ALA 435 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gol h ALA 435 Cb 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gol h ALA 435 CO -0.74 0.36 0.00 1.04 0.00 0.00 0.00 179.25 179.91 3gol n GLN 436 N -4.53 2.03 -3.84 0.00 6.02 -0.63 -4.97 117.38 111.46 3gol n GLN 436 Ca 0.16 -1.53 -0.37 0.00 -0.01 0.00 0.00 57.00 55.25 3gol n GLN 436 Cb 0.23 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.07 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 0.78 -0.83 -0.44 -1.09 -0.58 0.88 -4.92 120.64 114.45 3gol n GLU 437 Ca 0.17 0.34 0.07 0.00 -0.42 0.00 0.00 57.16 57.33 3gol n GLU 437 Cb 0.46 -3.36 0.19 0.00 -0.57 0.00 0.00 31.44 28.15 3gol n GLU 437 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3gol n GLN 438 N -4.38 1.48 -0.01 3.49 1.13 -0.90 -4.83 117.38 113.35 3gol n GLN 438 Ca -0.11 -3.07 -0.16 0.00 -1.94 0.00 0.00 57.00 51.72 3gol n GLN 438 Cb 0.58 -1.57 -0.11 0.00 0.11 0.00 0.00 30.24 29.25 3gol n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3gol h LEU 439 N 0.68 0.35 -0.98 1.08 -0.00 -1.91 -3.03 115.31 111.50 3gol h LEU 439 Ca -0.00 -0.78 -0.06 0.00 -0.00 0.00 0.00 57.88 57.04 3gol h LEU 439 Cb 1.01 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.54 3gol h LEU 439 CO 0.00 1.08 0.04 -0.33 -0.00 0.00 0.00 178.44 179.23 3gol h GLU 440 N -0.35 0.78 -5.52 1.13 3.07 -1.98 -3.27 114.58 108.45 3gol h GLU 440 Ca -0.05 -0.19 -0.48 0.00 -0.50 0.00 0.00 59.36 58.14 3gol h GLU 440 Cb 1.14 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3gol h GLU 440 CO 0.08 0.76 1.65 1.17 -1.40 0.00 0.00 179.01 181.27 3gol n LYS 441 N -4.24 0.88 -1.04 2.33 4.81 -1.15 -4.70 118.16 115.06 3gol n LYS 441 Ca 0.03 0.02 -0.33 0.00 -0.87 0.00 0.00 58.31 57.15 3gol n LYS 441 Cb 0.27 -3.07 0.13 0.00 0.02 0.00 0.00 35.03 32.38 3gol n LYS 441 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gol n ALA 442 N 14.73 -0.19 -3.25 3.14 0.00 -1.26 -4.57 120.51 129.11 3gol n ALA 442 Ca 0.42 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 3gol n ALA 442 Cb 0.44 -2.23 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 3gol n ALA 442 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gol s LEU 443 N -5.71 1.61 0.45 0.00 1.43 0.89 -4.82 118.68 112.53 3gol s LEU 443 Ca 0.72 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 3gol s LEU 443 Cb -0.28 -0.11 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 3gol s LEU 443 CO 0.52 -0.04 1.04 -1.81 0.23 0.00 0.00 176.35 176.29 3gol s ASP 444 N 0.45 6.49 0.02 2.29 1.01 -1.26 -0.77 116.67 124.90 3gol s ASP 444 Ca -0.04 1.97 -0.28 0.00 0.71 0.00 0.00 52.55 54.91 3gol s ASP 444 Cb -0.06 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.40 3gol s ASP 444 CO -0.01 -0.68 1.24 0.00 0.21 0.00 0.00 175.17 175.93 3gol s GLN 446 N -2.34 0.00 -0.14 0.00 -2.07 -1.26 -1.21 119.66 112.64 3gol s GLN 446 Ca 0.19 0.24 0.01 0.00 -1.82 0.00 0.00 55.36 53.98 3gol s GLN 446 Cb 0.02 -0.21 -0.00 0.00 -1.09 0.00 0.00 33.01 31.72 3gol s GLN 446 CO -0.01 -0.16 -0.17 0.42 -1.32 0.00 0.00 175.29 174.05 3gol s ILE 447 N 1.05 2.63 -1.35 3.63 1.01 -0.56 -4.67 121.20 122.93 3gol s ILE 447 Ca -0.09 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 3gol s ILE 447 Cb -0.12 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3gol s ILE 447 CO -0.04 0.53 0.41 -1.22 0.00 0.00 0.00 174.94 174.62 3gol n TYR 448 N 3.84 -1.43 0.00 3.97 4.01 -1.26 -2.30 117.16 123.99 3gol n TYR 448 Ca -0.19 0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 3gol n TYR 448 Cb 0.52 -2.99 0.00 0.00 -0.31 0.00 0.00 39.34 36.56 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 -2.22 1.28 3.13 2.72 0.00 -1.26 -1.84 105.19 107.01 3gol n GLY 449 Ca -0.22 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 3gol n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gol n ALA 450 N 0.00 -2.98 -3.57 4.61 0.00 -0.97 -4.48 120.51 113.11 3gol n ALA 450 Ca 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 53.44 51.92 3gol n ALA 450 Cb 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 3gol n ALA 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gol s TYR 452 N 2.68 2.34 -0.24 0.00 1.51 -0.35 -0.88 117.35 122.40 3gol s TYR 452 Ca 0.01 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.59 3gol s TYR 452 Cb -0.13 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 3gol s TYR 452 CO -0.15 0.14 0.09 0.45 -1.11 0.00 0.00 175.55 174.97 3gol s SER 453 N -1.27 5.39 -0.02 2.29 0.15 -1.25 -2.17 113.70 116.81 3gol s SER 453 Ca 0.12 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.66 3gol s SER 453 Cb -0.10 -1.97 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 3gol s SER 453 CO 0.02 -0.00 -0.01 -0.63 1.20 0.00 0.00 173.24 173.83 3gol s ILE 454 N 1.42 0.16 0.04 6.45 1.01 0.05 -4.82 121.20 125.51 3gol s ILE 454 Ca 0.06 0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.46 3gol s ILE 454 Cb -0.15 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 3gol s ILE 454 CO 0.05 0.11 0.91 -1.61 0.00 0.00 0.00 174.94 174.40 3gol s GLU 455 N 0.68 4.59 0.33 2.79 2.02 -1.26 -0.08 118.70 127.77 3gol s GLU 455 Ca -0.07 1.32 0.11 0.00 0.02 0.00 0.00 54.97 56.35 3gol s GLU 455 Cb -0.10 -3.41 0.98 0.00 0.10 0.00 0.00 34.13 31.70 3gol s GLU 455 CO -0.01 0.11 1.65 -1.35 0.02 0.00 0.00 175.26 175.67 3gol h PRO 456 N 6.17 0.24 0.00 0.39 0.11 -1.80 -1.75 132.00 135.36 3gol h PRO 456 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gol h PRO 456 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gol h PRO 456 CO 0.73 0.16 0.00 1.28 -0.21 0.00 0.00 178.00 179.96 3gol n LEU 457 N -5.15 0.00 -0.00 2.35 4.77 -1.24 -1.39 117.00 116.34 3gol n LEU 457 Ca 0.29 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 3gol n LEU 457 Cb 0.91 -0.20 0.52 0.00 -2.33 0.00 0.00 43.42 42.32 3gol n LEU 457 CO 0.07 -0.06 0.82 0.47 -1.33 0.00 0.00 177.39 177.37 3gol n ASP 458 N -1.20 0.15 -0.24 -1.43 10.43 -0.66 -4.62 116.55 118.98 3gol n ASP 458 Ca 0.12 0.24 -0.04 0.00 2.57 0.00 0.00 54.79 57.68 3gol n ASP 458 Cb 0.15 -0.28 0.06 0.00 1.84 0.00 0.00 41.12 42.89 3gol n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3gol h LEU 459 N 0.02 0.72 -0.58 0.64 -0.00 -1.36 -2.28 115.31 112.47 3gol h LEU 459 Ca 0.00 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 3gol h LEU 459 Cb 0.49 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.91 3gol h LEU 459 CO 0.00 0.51 0.19 -0.65 -0.00 0.00 0.00 178.44 178.49 3gol h PRO 460 N 0.86 0.34 -0.11 1.13 0.11 -1.82 -0.68 132.00 131.83 3gol h PRO 460 Ca 0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3gol h PRO 460 Cb -0.04 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3gol h PRO 460 CO -0.08 0.23 0.02 1.96 -0.21 0.00 0.00 178.00 179.91 3gol h GLN 461 N 0.35 0.19 -0.21 1.05 7.50 -1.76 -0.01 115.11 122.22 3gol h GLN 461 Ca 0.30 -0.05 0.05 0.00 0.50 0.00 0.00 58.65 59.45 3gol h GLN 461 Cb 0.38 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.84 3gol h GLN 461 CO -0.32 0.40 -0.13 0.82 -1.50 0.00 0.00 178.83 178.10 3gol h ILE 462 N -0.05 0.62 -0.24 2.54 2.04 -1.25 -0.22 117.51 120.95 3gol h ILE 462 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3gol h ILE 462 Cb 0.30 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3gol h ILE 462 CO 0.00 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.64 3gol h ILE 463 N -0.12 0.95 -0.19 -0.67 2.04 -1.02 -2.19 117.51 116.32 3gol h ILE 463 Ca 0.12 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3gol h ILE 463 Cb 0.30 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3gol h ILE 463 CO -0.28 0.04 -0.01 -0.08 0.00 0.00 0.00 178.15 177.81 3gol h GLU 464 N 0.21 0.05 -0.68 2.37 4.81 -0.12 0.33 114.58 121.54 3gol h GLU 464 Ca 0.10 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3gol h GLU 464 Cb 0.06 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3gol h GLU 464 CO -0.10 0.03 0.34 -0.09 -0.73 0.00 0.00 179.01 178.46 3gol h ARG 465 N 0.05 0.98 0.08 1.92 9.65 -1.00 0.66 114.38 126.73 3gol h ARG 465 Ca 0.09 -0.14 -0.25 0.00 -1.10 0.00 0.00 59.98 58.58 3gol h ARG 465 Cb 0.12 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3gol h ARG 465 CO -0.16 0.76 -1.13 -0.07 2.80 0.00 0.00 179.97 182.17 3gol h LEU 466 N 0.95 0.41 0.00 3.80 3.38 -0.85 -3.40 115.31 119.60 3gol h LEU 466 Ca 0.24 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gol h LEU 466 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gol h LEU 466 CO -0.03 1.28 -1.04 1.41 0.09 0.00 0.00 178.44 180.15 3gol n HIS 467 N -3.58 0.00 0.00 1.13 8.25 0.11 -4.56 115.22 116.57 3gol n HIS 467 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3gol n HIS 467 Cb 0.96 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.99 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 2.12 -1.33 0.23 -1.41 0.00 0.23 -4.36 105.19 100.67 3gol n GLY 468 Ca -0.01 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 0.00 -2.00 0.99 4.07 -1.91 -2.90 115.31 113.56 3gol h LEU 469 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.14 3gol h LEU 469 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 3gol h LEU 469 CO 0.00 0.21 0.45 0.77 -1.08 0.00 0.00 178.44 178.78 3gol h SER 470 N 0.00 0.00 -0.18 -0.43 4.64 -1.97 0.51 113.55 116.12 3gol h SER 470 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3gol h SER 470 Cb 0.56 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3gol h SER 470 CO 0.03 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 176.15 3gol h ALA 471 N 1.69 1.94 -0.51 5.18 0.00 -1.71 -1.24 119.26 124.62 3gol h ALA 471 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gol h ALA 471 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gol h ALA 471 CO -0.00 -0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.19 3gol n PHE 472 N -4.09 0.82 -0.02 0.00 3.72 0.17 -4.51 117.46 113.54 3gol n PHE 472 Ca 0.01 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3gol n PHE 472 Cb 0.29 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.95 0.00 -1.64 4.37 -2.24 -0.52 -4.64 114.28 110.56 3gol n THR 473 Ca 0.18 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.49 3gol n THR 473 Cb 0.51 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 2.52 0.00 3.22 4.77 -0.86 -4.23 117.00 122.42 3gol n LEU 474 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 3gol n LEU 474 Cb 0.00 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 3gol n LEU 474 CO 0.00 -0.72 -0.24 0.00 -1.33 0.00 0.00 177.39 175.10 3gol n HIS 475 N 2.23 0.00 -2.60 -1.77 1.44 -0.22 -4.95 115.22 109.34 3gol n HIS 475 Ca 0.15 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.42 3gol n HIS 475 Cb 0.27 0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.59 3gol n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3gol n SER 476 N -2.56 5.06 -4.78 4.39 7.64 -1.26 -4.92 113.62 117.19 3gol n SER 476 Ca 0.00 -3.02 -0.35 0.00 1.01 0.00 0.00 58.87 56.51 3gol n SER 476 Cb 0.24 -1.56 -0.01 0.00 -1.01 0.00 0.00 64.21 61.87 3gol n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gol s TYR 477 N 1.43 2.81 -0.13 1.43 2.02 -1.26 -3.86 117.35 119.78 3gol s TYR 477 Ca 0.43 1.55 -0.29 0.00 -0.37 0.00 0.00 57.07 58.39 3gol s TYR 477 Cb 0.04 -3.25 -0.05 0.00 -0.40 0.00 0.00 41.96 38.30 3gol s TYR 477 CO 0.00 -1.35 1.76 -1.54 -1.57 0.00 0.00 175.55 172.85 3gol s SER 478 N -1.74 6.37 0.23 2.29 1.04 -1.15 -4.86 113.70 115.88 3gol s SER 478 Ca 0.69 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 59.04 3gol s SER 478 Cb -0.23 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 63.70 3gol s SER 478 CO 0.27 -1.20 1.37 -2.65 0.98 0.00 0.00 173.24 172.01 3gol n PRO 479 N 7.60 -0.12 -0.21 4.02 -0.02 -1.26 0.42 135.00 145.43 3gol n PRO 479 Ca 0.20 1.37 0.01 0.00 -2.02 0.00 0.00 63.50 63.05 3gol n PRO 479 Cb 0.44 -2.04 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3gol n PRO 479 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gol h GLY 480 N 0.00 0.62 0.93 -1.23 0.00 -1.99 0.43 103.07 101.84 3gol h GLY 480 Ca 0.38 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.75 3gol h GLY 480 CO -0.90 -0.21 -0.08 -2.09 0.00 0.00 0.00 176.54 173.27 3gol h GLU 481 N 0.09 0.67 -0.58 4.80 4.57 -0.42 -0.03 114.58 123.68 3gol h GLU 481 Ca 0.32 -0.25 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3gol h GLU 481 Cb 0.52 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 3gol h GLU 481 CO -0.56 0.83 0.26 0.82 -1.18 0.00 0.00 179.01 179.18 3gol h ILE 482 N 0.46 0.86 -0.07 2.32 2.04 -0.70 -1.90 117.51 120.53 3gol h ILE 482 Ca 0.09 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3gol h ILE 482 Cb 0.58 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3gol h ILE 482 CO 0.03 0.09 -0.42 0.78 0.00 0.00 0.00 178.15 178.63 3gol h ASN 483 N 0.48 0.17 0.31 1.72 -0.26 -0.59 0.23 115.58 117.65 3gol h ASN 483 Ca 0.28 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3gol h ASN 483 Cb 0.27 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 3gol h ASN 483 CO -0.23 0.57 -0.26 -0.09 -1.06 0.00 0.00 177.43 176.36 3gol h ARG 484 N 0.14 -0.56 -0.30 0.81 1.12 -0.56 -1.47 114.38 113.56 3gol h ARG 484 Ca 0.01 0.04 0.04 0.00 -1.11 0.00 0.00 59.98 58.96 3gol h ARG 484 Cb 0.80 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.85 3gol h ARG 484 CO 0.06 -0.37 0.07 0.28 -3.11 0.00 0.00 179.97 176.90 3gol h VAL 485 N -0.58 0.88 -0.45 0.20 2.07 -0.79 -2.10 116.25 115.47 3gol h VAL 485 Ca -0.02 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3gol h VAL 485 Cb 0.51 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3gol h VAL 485 CO -0.02 0.03 -0.21 0.00 0.02 0.00 0.00 177.57 177.40 3gol h ALA 486 N 1.21 0.13 -0.05 1.67 0.00 -0.38 -2.07 119.26 119.76 3gol h ALA 486 Ca 0.14 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gol h ALA 486 Cb 0.13 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gol h ALA 486 CO -0.17 -0.55 0.03 0.77 0.00 0.00 0.00 179.25 179.33 3gol h SER 487 N -0.11 0.07 -0.60 0.00 0.02 -0.89 -2.94 113.55 109.10 3gol h SER 487 Ca 0.22 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3gol h SER 487 Cb 0.45 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3gol h SER 487 CO -0.53 0.12 0.40 0.00 -1.14 0.00 0.00 176.83 175.69 3gol h LEU 489 N 0.58 0.47 -0.64 0.00 3.38 -1.22 -2.37 115.31 115.51 3gol h LEU 489 Ca 0.26 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3gol h LEU 489 Cb 0.29 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3gol h LEU 489 CO -0.08 0.96 0.22 0.03 0.09 0.00 0.00 178.44 179.66 3gol h ARG 490 N 0.01 0.99 0.10 1.13 3.08 -1.32 0.24 114.38 118.60 3gol h ARG 490 Ca -0.00 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.86 3gol h ARG 490 Cb 0.89 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 3gol h ARG 490 CO 0.06 0.86 -0.43 -0.22 -1.07 0.00 0.00 179.97 179.17 3gol h LYS 491 N 0.92 -0.59 0.00 0.04 3.64 -0.95 -3.07 116.57 116.56 3gol h LYS 491 Ca 0.21 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3gol h LYS 491 Cb 0.27 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3gol h LYS 491 CO -0.01 -0.39 0.00 -0.07 -2.27 0.00 0.00 179.45 176.71 3gol h LEU 492 N -0.61 0.00 0.00 5.20 3.38 -1.29 -3.47 115.31 118.52 3gol h LEU 492 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gol h LEU 492 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3gol h LEU 492 CO -0.23 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.91 3gol n GLY 493 N 0.45 0.58 3.70 0.83 0.00 0.60 -3.00 105.19 108.35 3gol n GLY 493 Ca 0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 4.83 1.03 1.61 1.01 0.13 -3.18 120.40 123.84 3gol s VAL 494 Ca 0.00 2.05 -0.14 0.00 0.00 0.00 0.00 61.98 63.89 3gol s VAL 494 Cb 0.00 -4.31 0.13 0.00 0.00 0.00 0.00 36.38 32.20 3gol s VAL 494 CO 0.00 0.12 0.60 -0.81 0.00 0.00 0.00 175.10 175.00 3gol n PRO 495 N 4.21 -1.09 -1.17 2.72 -0.04 -1.26 -4.31 135.00 134.06 3gol n PRO 495 Ca 0.07 -0.28 -0.29 0.00 -0.04 0.00 0.00 63.50 62.96 3gol n PRO 495 Cb 0.50 -2.00 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 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 -3.96 0.17 0.40 0.54 0.04 -1.26 -4.86 135.00 126.05 3gol s PRO 496 Ca 0.61 0.40 0.19 0.00 0.04 0.00 0.00 61.00 62.24 3gol s PRO 496 Cb -0.20 -1.72 0.82 0.00 0.04 0.00 0.00 34.50 33.45 3gol s PRO 496 CO 0.65 -2.88 1.81 -0.07 0.04 0.00 0.00 177.00 176.55 3gol h LEU 497 N -2.00 0.00 -1.04 -3.56 3.38 -1.99 -2.39 115.31 107.71 3gol h LEU 497 Ca -0.54 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 3gol h LEU 497 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3gol h LEU 497 CO 0.55 0.33 -0.10 0.08 0.09 0.00 0.00 178.44 179.40 3gol h ARG 498 N 0.00 0.57 -0.19 1.13 0.11 -2.01 -2.10 114.38 111.89 3gol h ARG 498 Ca -0.00 -0.16 0.01 0.00 0.10 0.00 0.00 59.98 59.93 3gol h ARG 498 Cb 0.74 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.75 3gol h ARG 498 CO 0.04 0.67 0.08 1.15 0.10 0.00 0.00 179.97 182.01 3gol h THR 499 N 0.53 0.98 -0.34 0.08 2.02 -1.78 -2.86 112.91 111.54 3gol h THR 499 Ca 0.10 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.30 3gol h THR 499 Cb 0.49 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3gol h THR 499 CO 0.03 0.03 0.24 -0.50 0.37 0.00 0.00 175.52 175.69 3gol h TRP 500 N 0.18 0.08 -0.97 3.16 4.06 -1.29 -0.88 115.95 120.29 3gol h TRP 500 Ca 0.08 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.12 3gol h TRP 500 Cb 0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.09 3gol h TRP 500 CO -0.10 0.04 0.62 0.00 -3.56 0.00 0.00 178.44 175.44 3gol h ARG 501 N 0.08 1.01 0.23 0.49 2.47 -1.21 -1.90 114.38 115.55 3gol h ARG 501 Ca 0.16 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3gol h ARG 501 Cb 0.53 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3gol h ARG 501 CO -0.01 0.67 -0.11 1.25 0.56 0.00 0.00 179.97 182.33 3gol h HIS 502 N 1.04 -0.28 -0.73 3.04 2.76 -1.22 -3.07 115.15 116.70 3gol h HIS 502 Ca 0.45 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.74 3gol h HIS 502 Cb 0.33 0.09 -0.09 0.00 1.55 0.00 0.00 27.41 29.29 3gol h HIS 502 CO -0.00 0.10 0.30 0.00 -1.30 0.00 0.00 177.93 177.03 3gol h ARG 503 N -0.81 0.46 -0.13 5.26 3.08 -1.42 -1.66 114.38 119.16 3gol h ARG 503 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3gol h ARG 503 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3gol h ARG 503 CO 0.05 0.30 -0.00 0.00 -1.07 0.00 0.00 179.97 179.25 3gol h ALA 504 N 1.51 1.76 -0.35 0.04 0.00 -1.40 0.25 119.26 121.06 3gol h ALA 504 Ca 0.39 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3gol h ALA 504 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gol h ALA 504 CO -0.36 0.19 -0.35 0.00 0.00 0.00 0.00 179.25 178.73 3gol h ARG 505 N 0.18 0.81 -0.26 0.00 3.08 -1.20 -1.24 114.38 115.75 3gol h ARG 505 Ca 0.04 -0.40 -0.18 0.00 0.07 0.00 0.00 59.98 59.52 3gol h ARG 505 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3gol h ARG 505 CO 0.00 1.03 -0.55 1.03 -1.07 0.00 0.00 179.97 180.41 3gol h SER 506 N 0.67 0.93 -0.72 7.04 0.87 -0.86 -2.64 113.55 118.85 3gol h SER 506 Ca 0.07 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 3gol h SER 506 Cb 0.90 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 3gol h SER 506 CO 0.08 1.31 0.37 0.58 -0.53 0.00 0.00 176.83 178.64 3gol h VAL 507 N 0.59 1.23 -0.03 2.23 2.07 -0.59 -2.95 116.25 118.81 3gol h VAL 507 Ca 0.00 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3gol h VAL 507 Cb 1.17 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3gol h VAL 507 CO 0.12 0.26 0.00 -0.09 0.02 0.00 0.00 177.57 177.89 3gol h ARG 508 N 1.03 0.05 -0.57 1.57 2.43 -1.07 -2.25 114.38 115.56 3gol h ARG 508 Ca 0.26 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3gol h ARG 508 Cb 0.07 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3gol h ARG 508 CO -0.04 0.34 0.25 0.00 -1.51 0.00 0.00 179.97 179.01 3gol h ALA 509 N 0.71 0.74 -0.87 2.80 0.00 -1.47 0.25 119.26 121.43 3gol h ALA 509 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gol h ALA 509 Cb 0.31 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3gol h ALA 509 CO 0.00 0.33 0.58 0.87 0.00 0.00 0.00 179.25 181.03 3gol h LYS 510 N 0.78 1.13 -0.21 0.00 1.57 -1.55 -1.09 116.57 117.21 3gol h LYS 510 Ca 0.19 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3gol h LYS 510 Cb 0.17 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3gol h LYS 510 CO -0.02 0.75 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.47 3gol h LEU 511 N 1.16 0.41 -0.17 2.94 3.38 -0.61 -3.07 115.31 119.34 3gol h LEU 511 Ca 0.33 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gol h LEU 511 Cb -0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3gol h LEU 511 CO -0.08 0.69 -0.01 -0.07 0.09 0.00 0.00 178.44 179.06 3gol h LEU 512 N 0.12 -0.09 -0.72 1.67 3.38 -0.33 -2.70 115.31 116.64 3gol h LEU 512 Ca 0.05 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3gol h LEU 512 Cb 0.52 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 3gol h LEU 512 CO 0.02 -0.02 0.26 0.28 0.09 0.00 0.00 178.44 179.07 3gol h SER 513 N 0.04 0.21 -0.05 -0.43 0.02 -1.26 -0.05 113.55 112.03 3gol h SER 513 Ca 0.08 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3gol h SER 513 Cb 0.11 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3gol h SER 513 CO -0.15 0.08 0.06 1.56 -1.14 0.00 0.00 176.83 177.24 3gol h GLN 514 N 0.40 0.00 0.00 3.45 4.20 -1.38 -3.48 115.11 118.30 3gol h GLN 514 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3gol h GLN 514 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3gol h GLN 514 CO -0.41 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.16 3gol n GLY 515 N -1.32 0.45 7.00 3.46 0.00 -0.03 -4.80 105.19 109.94 3gol n GLY 515 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 2.23 0.13 -0.02 0.00 -1.26 -0.72 105.19 105.55 3gol n GLY 516 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.01 -0.63 1.61 3.08 -1.95 -3.24 114.38 113.25 3gol h ARG 517 Ca 0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3gol h ARG 517 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3gol h ARG 517 CO 0.00 0.64 0.11 0.00 -1.07 0.00 0.00 179.97 179.65 3gol h ALA 518 N 1.36 0.84 -0.88 0.04 0.00 -1.63 -3.01 119.26 115.98 3gol h ALA 518 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3gol h ALA 518 Cb 1.12 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3gol h ALA 518 CO 0.08 0.59 0.57 0.00 0.00 0.00 0.00 179.25 180.50 3gol h ALA 519 N 1.04 1.53 -0.44 0.00 0.00 -0.74 -2.68 119.26 117.97 3gol h ALA 519 Ca 0.19 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3gol h ALA 519 Cb 0.42 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 3gol h ALA 519 CO 0.01 0.34 -0.15 1.15 0.00 0.00 0.00 179.25 180.60 3gol h THR 520 N 1.00 0.47 -0.51 0.00 2.02 -1.65 -0.42 112.91 113.82 3gol h THR 520 Ca 0.37 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.64 3gol h THR 520 Cb 0.19 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 3gol h THR 520 CO -0.14 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.89 3gol h GLY 522 N 0.28 -0.95 0.84 0.00 0.00 -1.05 -0.39 103.07 101.80 3gol h GLY 522 Ca 0.26 0.74 -0.03 0.00 0.00 0.00 0.00 47.33 48.30 3gol h GLY 522 CO -0.31 -0.07 -0.25 3.21 0.00 0.00 0.00 176.54 179.13 3gol h ARG 523 N -0.28 -0.67 0.02 4.80 3.08 -0.54 -2.69 114.38 118.11 3gol h ARG 523 Ca 0.10 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3gol h ARG 523 Cb 0.54 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3gol h ARG 523 CO -0.70 -0.38 -0.01 1.88 -1.07 0.00 0.00 179.97 179.69 3gol h TYR 524 N -0.86 -0.03 0.15 3.04 -1.99 -1.18 -3.24 116.97 112.86 3gol h TYR 524 Ca -0.07 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3gol h TYR 524 Cb 0.60 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.34 3gol h TYR 524 CO -0.01 0.69 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.70 3gol h LEU 525 N -0.83 -0.17 -4.84 3.88 3.38 -1.20 -3.31 115.31 112.23 3gol h LEU 525 Ca -0.00 -0.31 -0.75 0.00 0.09 0.00 0.00 57.88 56.91 3gol h LEU 525 Cb 0.73 0.04 -0.28 0.00 0.09 0.00 0.00 40.66 41.24 3gol h LEU 525 CO 0.01 0.24 0.96 0.49 0.09 0.00 0.00 178.44 180.23 3gol n PHE 526 N -4.99 3.03 0.04 1.13 3.01 -1.01 -4.43 117.46 114.24 3gol n PHE 526 Ca -0.09 -2.45 -0.20 0.00 1.01 0.00 0.00 57.45 55.73 3gol n PHE 526 Cb 0.24 -1.17 -0.14 0.00 -0.01 0.00 0.00 39.48 38.39 3gol n PHE 526 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 3gol h ASN 527 N 2.85 0.44 -0.45 4.37 -1.24 -1.64 -3.30 115.58 116.61 3gol h ASN 527 Ca 0.56 -0.77 0.12 0.00 0.71 0.00 0.00 56.30 56.92 3gol h ASN 527 Cb 0.17 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3gol h ASN 527 CO 1.43 1.67 0.32 4.11 -1.29 0.00 0.00 177.43 183.67 3gol h TRP 528 N 0.08 0.06 0.00 0.67 5.08 -1.82 -3.00 115.95 117.01 3gol h TRP 528 Ca -0.35 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.57 3gol h TRP 528 Cb 2.05 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 28.19 3gol h TRP 528 CO 0.08 0.03 -0.27 0.00 -1.28 0.00 0.00 178.44 176.99 3gol h ALA 529 N 1.78 1.33 -3.26 0.11 0.00 -1.88 -3.43 119.26 113.90 3gol h ALA 529 Ca 0.21 -0.25 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 3gol h ALA 529 Cb 0.77 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.21 3gol h ALA 529 CO -0.01 0.34 -0.82 0.14 0.00 0.00 0.00 179.25 178.89 3gol s VAL 530 N -4.15 2.52 -0.90 0.00 -7.23 -1.13 -4.83 120.40 104.67 3gol s VAL 530 Ca -0.02 -0.84 0.20 0.00 -1.81 0.00 0.00 61.98 59.51 3gol s VAL 530 Cb 0.14 -2.03 0.18 0.00 0.56 0.00 0.00 36.38 35.22 3gol s VAL 530 CO 0.67 0.53 1.64 -2.11 -0.31 0.00 0.00 175.10 175.53 3gol n ARG 531 N 3.80 0.05 -1.13 4.82 1.85 -1.26 -3.08 116.66 121.70 3gol n ARG 531 Ca -0.19 0.21 -0.17 0.00 -1.00 0.00 0.00 57.85 56.70 3gol n ARG 531 Cb 0.52 -1.58 -0.14 0.00 -1.05 0.00 0.00 32.46 30.22 3gol n ARG 531 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3gol n THR 532 N -1.66 3.16 -2.03 8.89 -1.04 -1.26 -4.96 114.28 115.37 3gol n THR 532 Ca 0.04 -1.90 -0.43 0.00 -2.04 0.00 0.00 64.05 59.73 3gol n THR 532 Cb 0.24 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 3gol n THR 532 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3gol s LYS 533 N 0.47 3.69 0.77 -2.82 2.20 -1.18 -4.97 119.74 117.91 3gol s LYS 533 Ca 0.65 1.70 -0.11 0.00 -0.36 0.00 0.00 55.97 57.85 3gol s LYS 533 Cb 0.32 -4.09 0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3gol s LYS 533 CO -0.05 -1.42 1.09 -0.48 -0.36 0.00 0.00 175.35 174.12 3gol s LEU 534 N 5.65 2.74 0.11 5.43 0.05 -1.26 -5.06 118.68 126.33 3gol s LEU 534 Ca 0.76 1.36 -0.03 0.00 0.05 0.00 0.00 54.13 56.27 3gol s LEU 534 Cb -0.26 -4.05 -0.05 0.00 -2.05 0.00 0.00 46.19 39.78 3gol s LEU 534 CO 0.31 -1.81 0.31 -0.75 -0.55 0.00 0.00 176.35 173.86 3gol s LYS 535 N -5.15 3.55 0.05 1.48 2.20 -1.26 -5.08 119.74 115.53 3gol s LYS 535 Ca 0.60 -0.23 0.09 0.00 -0.36 0.00 0.00 55.97 56.07 3gol s LYS 535 Cb -0.14 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 3gol s LYS 535 CO 0.54 0.53 -0.24 -0.51 -0.36 0.00 0.00 175.35 175.31 3gol s LEU 536 N -2.58 2.19 0.08 5.43 1.43 -1.26 -5.11 118.68 118.86 3gol s LEU 536 Ca 0.38 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3gol s LEU 536 Cb -0.12 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.96 3gol s LEU 536 CO 0.26 0.21 0.32 0.42 0.23 0.00 0.00 176.35 177.78 3gol s THR 537 N -0.84 0.09 0.19 5.49 -4.23 -1.26 -5.12 115.64 109.96 3gol s THR 537 Ca 0.10 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.58 3gol s THR 537 Cb -0.10 -1.12 -0.16 0.00 1.34 0.00 0.00 72.50 72.46 3gol s THR 537 CO 0.02 -0.42 0.51 -2.65 -0.54 0.00 0.00 174.62 171.55 3gol n PRO 538 N 0.12 0.00 -3.51 3.99 -0.02 -1.26 -4.92 135.00 129.40 3gol n PRO 538 Ca -0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 3gol n PRO 538 Cb 0.62 -0.97 -0.10 0.00 -0.02 0.00 0.00 33.50 33.02 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 -0.94 5.16 0.38 4.25 1.01 -1.26 -4.98 121.20 124.82 3gol s ILE 539 Ca 0.62 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.82 3gol s ILE 539 Cb -0.90 -3.78 0.26 0.00 0.01 0.00 0.00 42.46 38.04 3gol s ILE 539 CO 0.54 -0.17 2.02 1.55 0.00 0.00 0.00 174.94 178.88 3gol h PRO 540 N 8.54 0.68 0.00 2.79 0.13 -2.00 -0.26 132.00 141.87 3gol h PRO 540 Ca -0.29 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 3gol h PRO 540 Cb 1.13 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3gol h PRO 540 CO 0.68 0.46 -0.30 0.00 -0.23 0.00 0.00 178.00 178.62 3gol h ALA 541 N 1.66 0.95 -0.37 -0.56 0.00 -1.94 -2.83 119.26 116.17 3gol h ALA 541 Ca 0.18 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3gol h ALA 541 Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gol h ALA 541 CO -0.04 0.37 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 3gol h ALA 542 N 1.70 0.52 -0.49 0.00 0.00 -1.38 -3.38 119.26 116.25 3gol h ALA 542 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gol h ALA 542 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gol h ALA 542 CO 0.04 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 3gol n SER 543 N -4.26 0.00 -4.34 0.00 3.41 -1.07 -4.30 113.62 103.06 3gol n SER 543 Ca -0.02 0.20 -0.19 0.00 -0.26 0.00 0.00 58.87 58.60 3gol n SER 543 Cb 0.43 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 3gol n SER 543 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3gol s GLN 544 N -1.85 1.55 -0.06 4.33 -0.21 -1.26 -4.62 119.66 117.54 3gol s GLN 544 Ca 0.00 -1.86 -0.00 0.00 0.02 0.00 0.00 55.36 53.52 3gol s GLN 544 Cb 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 33.01 33.49 3gol s GLN 544 CO 0.00 -0.27 0.05 1.28 -2.12 0.00 0.00 175.29 174.23 3gol n LEU 545 N -0.59 -2.07 -2.94 2.90 4.77 -1.26 -4.82 117.00 112.98 3gol n LEU 545 Ca -0.01 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 3gol n LEU 545 Cb 0.66 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3gol n LEU 545 CO 0.39 0.02 0.05 -0.67 -1.33 0.00 0.00 177.39 175.85 3gol n ASP 546 N 0.35 -1.06 -4.69 -1.43 -0.08 -1.26 -4.86 116.55 103.52 3gol n ASP 546 Ca -0.00 -3.28 -0.39 0.00 -1.51 0.00 0.00 54.79 49.60 3gol n ASP 546 Cb 0.50 0.74 -0.06 0.00 2.34 0.00 0.00 41.12 44.65 3gol n ASP 546 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3gol s LEU 547 N -1.93 4.22 0.00 -2.67 1.43 -1.26 -5.06 118.68 113.41 3gol s LEU 547 Ca 0.31 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 3gol s LEU 547 Cb 0.28 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3gol s LEU 547 CO -0.10 -0.14 0.00 -0.24 0.23 0.00 0.00 176.35 176.10 3gol n SER 548 N 4.30 0.34 0.00 2.29 2.88 -1.26 -4.88 113.62 117.28 3gol n SER 548 Ca -0.04 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3gol n SER 548 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 5.00 1.59 0.10 0.46 0.00 -1.26 -5.03 105.19 106.05 3gol n GLY 549 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.26 0.00 -3.72 1.61 7.02 -1.26 -4.70 117.44 115.13 3gol n TRP 550 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 3gol n TRP 550 Cb 0.00 -0.93 -0.13 0.00 -2.42 0.00 0.00 31.31 27.82 3gol n TRP 550 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3gol s PHE 551 N -2.46 2.02 0.08 -5.99 0.08 -1.26 -4.81 117.98 105.64 3gol s PHE 551 Ca -0.13 -2.43 0.00 0.00 0.12 0.00 0.00 56.93 54.48 3gol s PHE 551 Cb 0.06 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 3gol s PHE 551 CO 0.74 -0.78 0.00 0.28 -0.10 0.00 0.00 175.22 175.36 3gol n VAL 552 N 3.57 0.00 -3.81 -0.44 0.31 0.04 -4.38 118.33 113.63 3gol n VAL 552 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 3gol n VAL 552 Cb 0.35 -0.33 -0.09 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.00 -0.57 0.10 3.52 0.00 -1.21 -3.98 121.76 117.62 3gol s ALA 553 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 3gol s ALA 553 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 3gol s ALA 553 CO 0.00 -0.27 0.44 0.20 0.00 0.00 0.00 175.76 176.14 3gol s GLY 554 N -1.50 2.38 -0.26 0.00 0.00 -1.26 -4.84 107.32 101.84 3gol s GLY 554 Ca -0.12 -0.30 0.22 0.00 0.00 0.00 0.00 44.72 44.52 3gol s GLY 554 CO 0.02 -0.06 1.16 -1.72 0.00 0.00 0.00 173.10 172.50 3gol n TYR 555 N 0.90 0.85 -2.57 1.90 4.01 -0.76 -4.55 117.16 116.93 3gol n TYR 555 Ca -0.07 -2.03 -0.43 0.00 -0.16 0.00 0.00 57.90 55.21 3gol n TYR 555 Cb 0.52 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 -3.45 6.82 0.00 7.72 0.01 -1.26 -1.22 113.70 122.32 3gol s SER 556 Ca 0.25 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.52 3gol s SER 556 Cb 0.34 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.02 3gol s SER 556 CO -0.05 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.22 3gol n GLY 557 N 4.14 0.74 0.12 3.44 0.00 -1.26 -3.97 105.19 108.41 3gol n GLY 557 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.15 -0.89 3.60 -0.02 0.00 -0.35 -2.17 105.19 103.20 3gol n GLY 558 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.09 -3.57 -4.71 1.61 2.03 -1.26 -4.65 116.55 104.91 3gol n ASP 559 Ca 0.08 -0.66 -0.35 0.00 0.52 0.00 0.00 54.79 54.38 3gol n ASP 559 Cb 0.35 -4.72 -0.09 0.00 -0.72 0.00 0.00 41.12 35.94 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 -3.40 4.46 -0.02 5.18 -1.09 -1.26 -4.23 121.20 120.84 3gol s ILE 560 Ca 0.27 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 3gol s ILE 560 Cb -0.13 -2.90 0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3gol s ILE 560 CO 0.76 0.59 0.02 -0.47 -1.23 0.00 0.00 174.94 174.61 3gol s TYR 561 N -0.92 0.13 -0.15 3.97 5.04 -0.86 -2.66 117.35 121.89 3gol s TYR 561 Ca 0.14 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 3gol s TYR 561 Cb -0.11 -0.29 -0.00 0.00 0.35 0.00 0.00 41.96 41.90 3gol s TYR 561 CO 0.03 -0.10 -0.15 -1.01 -1.34 0.00 0.00 175.55 172.99 3gol s HIS 562 N 1.04 2.79 -2.52 4.97 3.76 -0.06 -4.45 115.29 120.82 3gol s HIS 562 Ca -0.09 -0.98 0.28 0.00 -0.15 0.00 0.00 55.06 54.12 3gol s HIS 562 Cb -0.13 -1.89 1.02 0.00 1.11 0.00 0.00 32.58 32.69 3gol s HIS 562 CO -0.03 -0.44 1.73 0.43 -0.85 0.00 0.00 174.74 175.59