#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h59 s MET 2 N 0.00 4.67 0.24 -0.41 1.00 -1.26 -2.00 119.30 121.53 3h59 s MET 2 Ca 0.00 1.56 -0.07 0.00 0.00 0.00 0.00 55.69 57.18 3h59 s MET 2 Cb 0.00 -3.09 0.27 0.00 0.00 0.00 0.00 34.83 32.01 3h59 s MET 2 CO 0.00 0.31 1.88 0.66 0.00 0.00 0.00 175.02 177.88 3h59 h SER 3 N 3.70 0.95 -5.04 3.03 4.64 -1.65 -3.41 113.55 115.77 3h59 h SER 3 Ca -0.46 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 3h59 h SER 3 Cb 1.20 -0.22 -0.20 0.00 -0.31 0.00 0.00 62.40 62.88 3h59 h SER 3 CO 0.66 0.66 -0.69 -0.31 -0.87 0.00 0.00 176.83 176.28 3h59 s TYR 4 N -6.10 0.32 0.09 4.77 2.02 -1.26 -0.62 117.35 116.57 3h59 s TYR 4 Ca -0.13 -0.66 0.09 0.00 -0.37 0.00 0.00 57.07 56.01 3h59 s TYR 4 Cb 0.17 -0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.46 3h59 s TYR 4 CO 0.80 -0.24 -0.24 0.95 -1.57 0.00 0.00 175.55 175.25 3h59 s THR 5 N -2.06 1.94 0.10 -0.71 -4.23 0.02 -4.87 115.64 105.83 3h59 s THR 5 Ca -0.10 -1.54 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 3h59 s THR 5 Cb -0.06 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 3h59 s THR 5 CO -0.03 0.09 -0.18 0.26 -0.54 0.00 0.00 174.62 174.22 3h59 s TRP 6 N -1.02 1.58 -0.12 3.99 0.52 -1.26 -0.02 118.94 122.60 3h59 s TRP 6 Ca 0.10 -0.45 0.18 0.00 0.02 0.00 0.00 56.10 55.94 3h59 s TRP 6 Cb -0.10 -0.86 -0.19 0.00 -1.15 0.00 0.00 33.47 31.17 3h59 s TRP 6 CO 0.04 0.17 0.60 0.25 0.02 0.00 0.00 176.95 178.03 3h59 n THR 7 N 0.99 1.03 0.00 2.01 -2.24 -0.35 -4.91 114.28 110.81 3h59 n THR 7 Ca -0.19 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3h59 n THR 7 Cb 0.54 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3h59 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h59 n GLY 8 N 1.45 0.49 3.76 3.38 0.00 -1.26 -5.08 105.19 107.92 3h59 n GLY 8 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3h59 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h59 s ALA 9 N -2.03 3.08 0.39 4.61 0.00 -1.26 -4.99 121.76 121.57 3h59 s ALA 9 Ca 0.00 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.18 3h59 s ALA 9 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 3h59 s ALA 9 CO 0.00 -1.19 0.81 -0.51 0.00 0.00 0.00 175.76 174.87 3h59 s LEU 10 N -2.98 3.90 -0.20 0.00 1.43 -1.26 -4.80 118.68 114.77 3h59 s LEU 10 Ca 0.64 1.32 -0.25 0.00 -1.03 0.00 0.00 54.13 54.81 3h59 s LEU 10 Cb -0.41 -4.18 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 3h59 s LEU 10 CO 0.51 -0.35 0.84 -0.63 0.23 0.00 0.00 176.35 176.95 3h59 s ILE 11 N -2.24 4.86 0.16 -0.59 1.01 -1.26 -4.81 121.20 118.32 3h59 s ILE 11 Ca 0.55 1.62 0.08 0.00 0.00 0.00 0.00 60.65 62.90 3h59 s ILE 11 Cb -0.10 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3h59 s ILE 11 CO 0.24 -0.02 -0.08 0.42 0.00 0.00 0.00 174.94 175.50 3h59 s THR 12 N 2.43 3.34 0.79 2.92 -4.23 -1.26 -4.89 115.64 114.74 3h59 s THR 12 Ca 0.37 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 3h59 s THR 12 Cb -0.16 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.12 3h59 s THR 12 CO 0.10 -0.05 1.15 -2.16 -0.54 0.00 0.00 174.62 173.12 3h59 s PRO 13 N -2.68 2.00 -0.03 3.99 0.04 -1.26 -4.46 135.00 132.60 3h59 s PRO 13 Ca 0.24 0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.42 3h59 s PRO 13 Cb -0.09 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 3h59 s PRO 13 CO 0.15 -1.53 0.17 0.00 0.04 0.00 0.00 177.00 175.83 3h59 n ALA 15 N -1.98 0.50 -1.77 0.00 0.00 -1.26 -5.13 120.51 110.88 3h59 n ALA 15 Ca -0.05 -1.54 -0.39 0.00 0.00 0.00 0.00 53.44 51.45 3h59 n ALA 15 Cb 0.40 1.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.98 3h59 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h59 s ALA 16 N -2.96 3.31 -0.15 0.00 0.00 -1.26 -5.02 121.76 115.68 3h59 s ALA 16 Ca 0.24 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3h59 s ALA 16 Cb 0.01 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 3h59 s ALA 16 CO 0.17 -0.48 -0.15 -1.21 0.00 0.00 0.00 175.76 174.08 3h59 s GLU 17 N -1.95 3.21 -0.03 0.00 2.02 -1.26 -5.12 118.70 115.58 3h59 s GLU 17 Ca 0.52 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.65 3h59 s GLU 17 Cb -0.34 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 3h59 s GLU 17 CO 0.44 0.02 0.31 -1.21 0.02 0.00 0.00 175.26 174.83 3h59 s GLU 18 N 0.82 3.70 -0.08 1.61 2.02 -1.26 -4.99 118.70 120.52 3h59 s GLU 18 Ca -0.05 0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.14 3h59 s GLU 18 Cb -0.15 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 3h59 s GLU 18 CO -0.00 0.70 0.01 -1.13 0.02 0.00 0.00 175.26 174.85 3h59 n SER 19 N 1.65 3.14 -4.76 -0.19 3.41 -1.26 -4.59 113.62 111.02 3h59 n SER 19 Ca -0.15 -0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.06 3h59 n SER 19 Cb 0.53 0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 64.97 3h59 n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h59 s LYS 20 N -2.19 4.78 -0.15 4.33 1.02 -1.26 -1.34 119.74 124.93 3h59 s LYS 20 Ca -0.05 1.40 -0.33 0.00 0.02 0.00 0.00 55.97 57.00 3h59 s LYS 20 Cb 0.02 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 3h59 s LYS 20 CO 0.30 0.53 1.99 -0.11 -0.92 0.00 0.00 175.35 177.14 3h59 n LEU 21 N 1.50 3.24 -4.76 3.17 7.94 -1.25 -4.91 117.00 121.93 3h59 n LEU 21 Ca -0.03 0.75 -0.39 0.00 -1.11 0.00 0.00 56.01 55.24 3h59 n LEU 21 Cb 0.47 -1.39 0.01 0.00 0.53 0.00 0.00 43.42 43.04 3h59 n LEU 21 CO 0.49 -0.25 0.95 -2.84 -1.11 0.00 0.00 177.39 174.62 3h59 s PRO 22 N 4.83 3.72 -0.03 1.96 0.02 -1.26 -5.03 135.00 139.22 3h59 s PRO 22 Ca 0.97 2.11 0.06 0.00 0.02 0.00 0.00 61.00 64.16 3h59 s PRO 22 Cb -0.65 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 3h59 s PRO 22 CO 0.48 -0.68 -0.22 0.42 -0.33 0.00 0.00 177.00 176.67 3h59 s ILE 23 N -1.33 1.77 0.00 2.83 -1.09 -1.26 -4.73 121.20 117.39 3h59 s ILE 23 Ca 0.62 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3h59 s ILE 23 Cb -0.37 -1.48 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 3h59 s ILE 23 CO 0.46 0.50 0.00 -0.46 -1.23 0.00 0.00 174.94 174.21 3h59 n ASN 24 N 2.72 0.18 0.21 3.58 6.94 -1.26 -5.03 115.26 122.59 3h59 n ASN 24 Ca -0.16 -0.92 0.15 0.00 -0.02 0.00 0.00 54.58 53.63 3h59 n ASN 24 Cb 0.52 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 38.53 3h59 n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h59 h ALA 25 N 1.00 1.00 -0.00 -2.53 0.00 -2.00 -2.87 119.26 113.86 3h59 h ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h59 h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h59 h ALA 25 CO 0.00 0.00 -0.69 1.28 0.00 0.00 0.00 179.25 179.84 3h59 n LEU 26 N -2.68 0.84 0.11 0.00 4.77 -1.26 -4.61 117.00 114.17 3h59 n LEU 26 Ca 0.01 -0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 55.59 3h59 n LEU 26 Cb 0.27 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3h59 n LEU 26 CO 0.24 0.20 0.75 0.28 -1.33 0.00 0.00 177.39 177.53 3h59 h SER 27 N 0.23 -0.19 0.05 -1.43 0.02 -1.84 -3.15 113.55 107.24 3h59 h SER 27 Ca 0.00 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3h59 h SER 27 Cb 0.52 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3h59 h SER 27 CO 0.00 -0.02 -0.02 0.78 -1.14 0.00 0.00 176.83 176.42 3h59 h ASN 28 N -0.34 0.00 0.52 3.07 2.35 -1.80 -1.38 115.58 118.00 3h59 h ASN 28 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3h59 h ASN 28 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3h59 h ASN 28 CO 0.04 0.02 -0.16 0.77 -1.65 0.00 0.00 177.43 176.45 3h59 h SER 29 N 0.00 0.00 0.03 5.81 4.64 -1.85 -3.27 113.55 118.91 3h59 h SER 29 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3h59 h SER 29 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3h59 h SER 29 CO 0.00 0.16 -2.08 -0.11 -0.87 0.00 0.00 176.83 173.93 3h59 n LEU 30 N -3.57 2.34 -3.67 5.97 7.94 -0.60 -4.66 117.00 120.75 3h59 n LEU 30 Ca -0.01 0.21 -0.09 0.00 -1.11 0.00 0.00 56.01 55.01 3h59 n LEU 30 Cb 0.30 -0.95 -0.09 0.00 0.53 0.00 0.00 43.42 43.20 3h59 n LEU 30 CO 0.31 0.66 0.20 -0.22 -1.11 0.00 0.00 177.39 177.23 3h59 s LEU 31 N -7.25 -0.49 -0.11 -1.96 0.20 -0.70 -4.19 118.68 104.18 3h59 s LEU 31 Ca -0.31 1.19 0.19 0.00 0.69 0.00 0.00 54.13 55.89 3h59 s LEU 31 Cb 0.09 1.86 -0.28 0.00 -0.43 0.00 0.00 46.19 47.44 3h59 s LEU 31 CO 0.61 -0.21 0.25 0.54 -0.29 0.00 0.00 176.35 177.25 3h59 n ARG 32 N 4.19 0.76 -2.35 1.98 1.74 -1.01 -3.99 116.66 117.99 3h59 n ARG 32 Ca -0.21 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.35 3h59 n ARG 32 Cb 0.57 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3h59 n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3h59 n HIS 33 N -2.46 2.82 0.04 -1.55 8.25 -0.62 -4.75 115.22 116.94 3h59 n HIS 33 Ca -0.18 -2.77 0.04 0.00 -0.26 0.00 0.00 57.72 54.56 3h59 n HIS 33 Cb 0.83 -1.87 0.45 0.00 1.12 0.00 0.00 29.99 30.52 3h59 n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h59 h HIS 34 N 5.58 0.44 0.00 4.41 3.86 -1.85 -1.23 115.15 126.36 3h59 h HIS 34 Ca 0.41 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3h59 h HIS 34 Cb 0.59 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.91 3h59 h HIS 34 CO 1.27 0.28 0.00 0.27 0.86 0.00 0.00 177.93 180.62 3h59 n ASN 35 N -4.48 0.53 0.16 2.45 0.23 -1.26 -2.28 115.26 110.61 3h59 n ASN 35 Ca 0.02 0.67 0.12 0.00 -0.53 0.00 0.00 54.58 54.86 3h59 n ASN 35 Cb 0.07 -0.77 0.24 0.00 -2.08 0.00 0.00 39.78 37.25 3h59 n ASN 35 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3h59 h MET 36 N 0.00 0.00 -5.56 -3.83 2.86 -1.63 -3.46 114.93 103.31 3h59 h MET 36 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 3h59 h MET 36 Cb 0.22 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.75 3h59 h MET 36 CO 0.00 0.00 -0.55 0.08 1.06 0.00 0.00 176.91 177.50 3h59 s VAL 37 N -3.18 4.88 0.22 -2.22 1.01 -0.97 -0.67 120.40 119.47 3h59 s VAL 37 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3h59 s VAL 37 Cb 0.08 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3h59 s VAL 37 CO 0.65 0.54 0.34 -0.72 0.00 0.00 0.00 175.10 175.91 3h59 s TYR 38 N -0.34 0.61 0.06 5.22 1.13 -0.71 -3.78 117.35 119.54 3h59 s TYR 38 Ca 0.09 -0.93 0.08 0.00 -1.41 0.00 0.00 57.07 54.90 3h59 s TYR 38 Cb -0.12 -0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.63 3h59 s TYR 38 CO 0.02 -0.83 -0.22 0.00 -2.51 0.00 0.00 175.55 172.00 3h59 s ALA 39 N -4.05 1.91 0.38 9.51 0.00 -0.45 -1.19 121.76 127.86 3h59 s ALA 39 Ca 0.26 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 3h59 s ALA 39 Cb 0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 3h59 s ALA 39 CO 0.08 0.43 0.98 0.95 0.00 0.00 0.00 175.76 178.20 3h59 s THR 40 N -0.86 4.09 0.21 0.00 -4.23 -0.39 -4.56 115.64 109.91 3h59 s THR 40 Ca 0.09 1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 62.13 3h59 s THR 40 Cb -0.09 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 3h59 s THR 40 CO 0.02 -0.05 0.13 0.42 -0.54 0.00 0.00 174.62 174.61 3h59 s THR 41 N -1.80 0.07 0.45 3.99 -4.23 -1.26 -4.12 115.64 108.74 3h59 s THR 41 Ca 0.57 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.48 3h59 s THR 41 Cb -0.17 -2.52 0.41 0.00 1.34 0.00 0.00 72.50 71.57 3h59 s THR 41 CO 0.22 0.00 2.22 0.77 -0.54 0.00 0.00 174.62 177.29 3h59 h SER 42 N 2.56 0.00 -0.24 3.99 4.64 -1.88 -2.36 113.55 120.27 3h59 h SER 42 Ca -0.36 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.03 3h59 h SER 42 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3h59 h SER 42 CO 0.53 0.00 0.24 0.03 -0.87 0.00 0.00 176.83 176.76 3h59 h ARG 43 N 0.00 0.00 -0.67 4.77 3.08 -1.96 -0.06 114.38 119.54 3h59 h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h59 h ARG 43 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3h59 h ARG 43 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3h59 n SER 44 N -3.90 3.80 -0.18 7.04 3.41 -0.89 -4.62 113.62 118.29 3h59 n SER 44 Ca 0.03 -2.00 -0.07 0.00 -0.26 0.00 0.00 58.87 56.56 3h59 n SER 44 Cb 0.38 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3h59 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h59 h ALA 45 N 3.91 0.65 -0.98 7.33 0.00 -1.12 -2.40 119.26 126.66 3h59 h ALA 45 Ca 0.00 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.02 3h59 h ALA 45 Cb 0.95 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 3h59 h ALA 45 CO 0.00 0.17 0.57 0.78 0.00 0.00 0.00 179.25 180.77 3h59 h GLY 46 N 0.68 1.76 1.48 0.00 0.00 -1.82 0.67 103.07 105.84 3h59 h GLY 46 Ca 0.18 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3h59 h GLY 46 CO -0.03 -0.12 -0.16 1.41 0.00 0.00 0.00 176.54 177.64 3h59 h LEU 47 N 0.68 0.61 -0.38 3.11 3.38 -1.77 -2.85 115.31 118.09 3h59 h LEU 47 Ca 0.58 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 3h59 h LEU 47 Cb 0.96 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3h59 h LEU 47 CO -0.41 0.78 -0.33 -0.09 0.09 0.00 0.00 178.44 178.48 3h59 h ARG 48 N 0.55 0.89 -0.88 1.13 9.65 -0.75 -2.93 114.38 122.03 3h59 h ARG 48 Ca 0.09 -0.45 0.13 0.00 -1.10 0.00 0.00 59.98 58.65 3h59 h ARG 48 Cb 0.59 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.09 3h59 h ARG 48 CO 0.04 1.10 0.50 1.96 2.80 0.00 0.00 179.97 186.37 3h59 h GLN 49 N 0.70 0.75 -0.12 0.20 4.20 -1.01 -1.19 115.11 118.64 3h59 h GLN 49 Ca 0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3h59 h GLN 49 Cb 0.91 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 3h59 h GLN 49 CO 0.08 0.49 0.01 0.87 -0.67 0.00 0.00 178.83 179.61 3h59 h LYS 50 N 0.77 0.21 -0.48 1.46 1.57 -1.48 -2.83 116.57 115.79 3h59 h LYS 50 Ca 0.46 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 3h59 h LYS 50 Cb 0.53 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 3h59 h LYS 50 CO -0.30 0.44 0.25 0.87 -0.57 0.00 0.00 179.45 180.14 3h59 h LYS 51 N -0.05 0.48 -0.00 3.15 1.57 -1.24 -3.00 116.57 117.48 3h59 h LYS 51 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h59 h LYS 51 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3h59 h LYS 51 CO 0.01 0.32 -0.01 1.33 -0.57 0.00 0.00 179.45 180.53 3h59 n VAL 52 N -4.87 0.00 -3.65 0.50 0.24 -0.50 -4.73 118.33 105.32 3h59 n VAL 52 Ca 0.03 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 3h59 n VAL 52 Cb 0.11 -0.44 -0.11 0.00 -1.47 0.00 0.00 33.84 31.93 3h59 n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h59 s THR 53 N -2.25 4.19 0.19 3.34 2.01 -1.07 -4.67 115.64 117.38 3h59 s THR 53 Ca 0.39 -1.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 3h59 s THR 53 Cb 0.21 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 69.32 3h59 s THR 53 CO 0.41 -0.33 0.58 0.72 -0.69 0.00 0.00 174.62 175.31 3h59 s PHE 54 N 1.45 -0.30 0.19 4.92 -0.12 -1.26 -4.96 117.98 117.91 3h59 s PHE 54 Ca 0.01 -0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.58 3h59 s PHE 54 Cb -0.21 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.61 3h59 s PHE 54 CO 0.04 -0.93 0.99 0.34 -0.05 0.00 0.00 175.22 175.60 3h59 s ASP 55 N -2.83 7.51 -0.12 1.98 2.15 -1.26 -1.80 116.67 122.30 3h59 s ASP 55 Ca 0.06 1.95 -0.03 0.00 0.43 0.00 0.00 52.55 54.96 3h59 s ASP 55 Cb -0.02 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.97 3h59 s ASP 55 CO -0.06 0.01 -0.01 -0.13 -0.17 0.00 0.00 175.17 174.81 3h59 s ARG 56 N -0.72 3.34 0.09 4.34 3.00 -0.85 -4.97 118.95 123.18 3h59 s ARG 56 Ca 0.44 -0.45 0.10 0.00 0.00 0.00 0.00 55.73 55.82 3h59 s ARG 56 Cb -0.26 -2.87 -0.03 0.00 0.00 0.00 0.00 34.95 31.78 3h59 s ARG 56 CO 0.33 0.48 -0.27 -0.51 0.00 0.00 0.00 175.30 175.33 3h59 s LEU 57 N -0.27 2.25 -0.19 2.53 1.02 -1.26 -4.85 118.68 117.92 3h59 s LEU 57 Ca 0.05 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.49 3h59 s LEU 57 Cb -0.12 -1.26 0.10 0.00 0.02 0.00 0.00 46.19 44.92 3h59 s LEU 57 CO 0.02 0.22 0.34 -1.58 0.02 0.00 0.00 176.35 175.37 3h59 s GLN 58 N -1.64 0.26 -0.24 1.70 0.74 -1.26 -3.79 119.66 115.44 3h59 s GLN 58 Ca 0.13 0.71 -0.02 0.00 0.05 0.00 0.00 55.36 56.23 3h59 s GLN 58 Cb -0.10 -0.19 0.02 0.00 1.10 0.00 0.00 33.01 33.85 3h59 s GLN 58 CO 0.04 -0.42 -0.06 0.08 -0.55 0.00 0.00 175.29 174.38 3h59 s VAL 59 N 2.51 2.90 -0.25 1.34 1.01 -0.01 -5.03 120.40 122.88 3h59 s VAL 59 Ca 0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 3h59 s VAL 59 Cb -0.13 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3h59 s VAL 59 CO -0.12 0.23 0.02 -0.76 0.00 0.00 0.00 175.10 174.47 3h59 s LEU 60 N 1.34 3.28 0.00 3.92 1.43 -1.26 -4.37 118.68 123.02 3h59 s LEU 60 Ca 0.01 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3h59 s LEU 60 Cb -0.16 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3h59 s LEU 60 CO -0.05 -0.06 0.18 -0.90 0.23 0.00 0.00 176.35 175.76 3h59 n ASP 61 N 4.86 1.06 -0.22 2.29 5.75 -1.26 -4.99 116.55 124.03 3h59 n ASP 61 Ca -0.17 -1.51 -0.08 0.00 -0.01 0.00 0.00 54.79 53.02 3h59 n ASP 61 Cb 0.50 -0.07 0.03 0.00 -1.03 0.00 0.00 41.12 40.56 3h59 n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3h59 h ASP 62 N 0.11 0.99 -0.60 -1.12 3.32 -1.99 -2.80 116.42 114.33 3h59 h ASP 62 Ca -0.09 -0.25 0.12 0.00 0.02 0.00 0.00 57.03 56.83 3h59 h ASP 62 Cb 0.37 -0.26 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 3h59 h ASP 62 CO 0.14 0.99 0.02 0.45 -1.72 0.00 0.00 179.24 179.11 3h59 h HIS 63 N 0.95 -0.01 -0.19 4.55 3.86 -1.97 0.64 115.15 122.99 3h59 h HIS 63 Ca 0.19 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.47 3h59 h HIS 63 Cb 0.41 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3h59 h HIS 63 CO 0.03 -0.14 0.05 -0.92 0.86 0.00 0.00 177.93 177.81 3h59 h TYR 64 N 0.13 0.08 -0.01 2.45 3.20 -1.83 -1.87 116.97 119.12 3h59 h TYR 64 Ca 0.31 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.09 3h59 h TYR 64 Cb 0.50 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3h59 h TYR 64 CO -0.34 0.04 -0.49 0.00 -1.64 0.00 0.00 178.16 175.72 3h59 h ARG 65 N 0.13 0.03 -0.27 1.82 3.08 -1.28 -1.66 114.38 116.24 3h59 h ARG 65 Ca 0.08 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3h59 h ARG 65 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3h59 h ARG 65 CO -0.10 0.52 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.84 3h59 h ASP 66 N 0.03 0.50 -0.10 7.04 3.32 -0.44 -1.45 116.42 125.31 3h59 h ASP 66 Ca -0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3h59 h ASP 66 Cb 0.88 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3h59 h ASP 66 CO 0.07 0.72 0.01 0.58 -1.72 0.00 0.00 179.24 178.89 3h59 h VAL 67 N 0.26 1.24 -0.67 -1.35 2.07 -1.30 -2.97 116.25 113.53 3h59 h VAL 67 Ca 0.07 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3h59 h VAL 67 Cb 0.48 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3h59 h VAL 67 CO 0.02 0.21 0.31 0.25 0.02 0.00 0.00 177.57 178.38 3h59 h LEU 68 N -0.09 0.37 -0.65 2.57 5.85 -1.29 -0.24 115.31 121.83 3h59 h LEU 68 Ca 0.03 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3h59 h LEU 68 Cb 0.32 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3h59 h LEU 68 CO 0.00 0.21 0.32 0.50 -0.34 0.00 0.00 178.44 179.14 3h59 h LYS 69 N 0.53 0.56 -0.28 1.25 3.64 -1.26 -0.91 116.57 120.10 3h59 h LYS 69 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3h59 h LYS 69 Cb 0.37 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3h59 h LYS 69 CO -0.28 0.37 0.18 0.93 -2.27 0.00 0.00 179.45 178.38 3h59 h GLU 70 N 0.58 0.37 -0.53 1.90 5.08 -1.10 -1.85 114.58 119.02 3h59 h GLU 70 Ca 0.31 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3h59 h GLU 70 Cb 0.28 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3h59 h GLU 70 CO -0.23 0.26 0.33 0.52 -1.00 0.00 0.00 179.01 178.89 3h59 h MET 71 N 0.36 0.64 -0.66 2.33 2.86 -0.89 -2.29 114.93 117.29 3h59 h MET 71 Ca 0.10 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3h59 h MET 71 Cb -0.02 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.44 3h59 h MET 71 CO -0.02 0.42 0.38 0.87 1.06 0.00 0.00 176.91 179.62 3h59 h LYS 72 N 0.66 0.70 -0.65 1.72 1.57 -1.08 0.16 116.57 119.65 3h59 h LYS 72 Ca 0.21 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3h59 h LYS 72 Cb -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3h59 h LYS 72 CO -0.08 0.46 0.24 0.00 -0.57 0.00 0.00 179.45 179.50 3h59 h ALA 73 N 1.33 0.85 -0.59 3.86 0.00 -1.09 -1.10 119.26 122.51 3h59 h ALA 73 Ca 0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3h59 h ALA 73 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h59 h ALA 73 CO -0.16 0.49 -0.02 0.87 0.00 0.00 0.00 179.25 180.44 3h59 h LYS 74 N 0.93 1.04 0.00 0.00 1.57 -1.19 -3.02 116.57 115.90 3h59 h LYS 74 Ca 0.21 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3h59 h LYS 74 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3h59 h LYS 74 CO -0.01 1.02 -0.21 0.00 -0.57 0.00 0.00 179.45 179.68 3h59 h ALA 75 N 1.02 1.29 0.00 3.86 0.00 -0.48 -2.74 119.26 122.21 3h59 h ALA 75 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h59 h ALA 75 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h59 h ALA 75 CO 0.03 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.97 3h59 n SER 76 N -3.76 0.42 -0.00 0.00 7.64 -0.46 -1.82 113.62 115.63 3h59 n SER 76 Ca -0.02 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.60 3h59 n SER 76 Cb 0.31 -0.69 0.38 0.00 -1.01 0.00 0.00 64.21 63.20 3h59 n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3h59 n THR 77 N -1.97 0.00 -2.87 0.44 -2.24 -1.03 -4.63 114.28 101.98 3h59 n THR 77 Ca 0.03 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3h59 n THR 77 Cb 0.20 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3h59 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h59 s VAL 78 N -2.99 4.93 -0.17 2.28 1.01 -0.76 -4.95 120.40 119.75 3h59 s VAL 78 Ca 0.12 1.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 3h59 s VAL 78 Cb 0.18 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3h59 s VAL 78 CO 0.64 0.16 -0.01 -0.75 0.00 0.00 0.00 175.10 175.13 3h59 s LYS 79 N 1.22 3.70 0.04 2.72 2.20 -1.26 0.13 119.74 128.49 3h59 s LYS 79 Ca 0.43 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 3h59 s LYS 79 Cb -0.19 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3h59 s LYS 79 CO 0.20 0.19 -0.17 0.00 -0.36 0.00 0.00 175.35 175.21 3h59 s ALA 80 N 0.53 1.42 0.16 3.13 0.00 -0.57 -4.93 121.76 121.50 3h59 s ALA 80 Ca -0.02 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.08 3h59 s ALA 80 Cb -0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3h59 s ALA 80 CO 0.02 0.30 0.12 -1.59 0.00 0.00 0.00 175.76 174.61 3h59 s LYS 81 N -1.14 2.86 0.15 0.00 -2.85 -1.26 -4.49 119.74 113.00 3h59 s LYS 81 Ca 0.04 -0.89 -0.31 0.00 -1.00 0.00 0.00 55.97 53.82 3h59 s LYS 81 Cb -0.08 -2.62 -0.08 0.00 -2.06 0.00 0.00 37.83 32.98 3h59 s LYS 81 CO 0.01 0.48 1.35 -1.17 0.10 0.00 0.00 175.35 176.13 3h59 s LEU 82 N -3.07 4.39 0.59 2.77 2.96 -1.26 -4.50 118.68 120.56 3h59 s LEU 82 Ca 0.31 2.35 -0.14 0.00 -0.22 0.00 0.00 54.13 56.42 3h59 s LEU 82 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3h59 s LEU 82 CO 0.23 -0.60 1.03 -0.76 -1.32 0.00 0.00 176.35 174.93 3h59 s LEU 83 N 0.63 3.42 0.71 -0.68 1.02 -0.85 -5.07 118.68 117.86 3h59 s LEU 83 Ca 0.61 1.64 -0.11 0.00 0.02 0.00 0.00 54.13 56.30 3h59 s LEU 83 Cb -0.37 -4.51 0.03 0.00 0.02 0.00 0.00 46.19 41.37 3h59 s LEU 83 CO 0.33 -1.00 1.09 -0.94 0.02 0.00 0.00 176.35 175.85 3h59 s SER 84 N -3.30 5.21 0.26 2.29 1.04 -1.26 -4.78 113.70 113.16 3h59 s SER 84 Ca 0.60 0.96 -0.02 0.00 0.48 0.00 0.00 55.95 57.96 3h59 s SER 84 Cb -0.13 -1.70 0.48 0.00 0.10 0.00 0.00 66.02 64.77 3h59 s SER 84 CO 0.42 -1.45 1.80 0.58 0.98 0.00 0.00 173.24 175.57 3h59 h VAL 85 N -0.68 0.85 -0.30 5.02 2.07 -1.98 -2.22 116.25 119.02 3h59 h VAL 85 Ca -0.45 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.67 3h59 h VAL 85 Cb 1.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3h59 h VAL 85 CO 0.64 0.14 -0.37 1.05 0.02 0.00 0.00 177.57 179.05 3h59 h GLU 86 N 0.77 0.68 -0.47 1.57 9.09 -1.98 0.25 114.58 124.50 3h59 h GLU 86 Ca 0.44 -0.34 -0.06 0.00 0.05 0.00 0.00 59.36 59.46 3h59 h GLU 86 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3h59 h GLU 86 CO -0.29 0.94 0.06 0.93 0.05 0.00 0.00 179.01 180.70 3h59 h GLU 87 N 0.57 0.78 -0.18 1.06 5.08 -1.86 -1.98 114.58 118.05 3h59 h GLU 87 Ca 0.05 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3h59 h GLU 87 Cb 0.90 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3h59 h GLU 87 CO 0.08 0.80 -0.34 0.00 -1.00 0.00 0.00 179.01 178.55 3h59 h ALA 88 N 0.95 1.08 -0.65 3.43 0.00 -1.27 -2.74 119.26 120.05 3h59 h ALA 88 Ca 0.14 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3h59 h ALA 88 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3h59 h ALA 88 CO 0.01 0.58 0.10 0.00 0.00 0.00 0.00 179.25 179.94 3h59 h LYS 90 N 1.01 0.00 -0.01 0.00 6.56 -1.07 -2.24 116.57 120.82 3h59 h LYS 90 Ca 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 3h59 h LYS 90 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 3h59 h LYS 90 CO 0.01 0.00 -0.16 1.28 -2.06 0.00 0.00 179.45 178.52 3h59 n LEU 91 N -2.74 0.86 -4.68 2.94 4.77 -1.07 -4.85 117.00 112.23 3h59 n LEU 91 Ca 0.01 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 3h59 n LEU 91 Cb 0.23 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3h59 n LEU 91 CO 0.22 0.16 0.72 -0.89 -1.33 0.00 0.00 177.39 176.27 3h59 s THR 92 N -2.41 4.82 0.31 -5.08 2.01 -0.84 -0.76 115.64 113.69 3h59 s THR 92 Ca 0.28 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 63.86 3h59 s THR 92 Cb 0.20 -4.24 -0.12 0.00 0.01 0.00 0.00 72.50 68.35 3h59 s THR 92 CO 0.47 0.01 1.52 -2.65 -0.69 0.00 0.00 174.62 173.28 3h59 n PRO 93 N 5.13 2.55 -0.09 4.92 -0.02 -1.26 -4.81 135.00 141.42 3h59 n PRO 93 Ca 0.07 0.90 0.26 0.00 -2.02 0.00 0.00 63.50 62.71 3h59 n PRO 93 Cb 0.49 -2.64 0.72 0.00 -0.02 0.00 0.00 33.50 32.05 3h59 n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h59 h PRO 94 N 4.08 0.00 -0.34 0.52 0.11 -1.96 -1.45 132.00 132.97 3h59 h PRO 94 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h59 h PRO 94 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3h59 h PRO 94 CO 0.74 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.25 3h59 n HIS 95 N -4.02 0.98 -1.67 0.65 8.25 -1.26 -4.03 115.22 114.12 3h59 n HIS 95 Ca 0.15 -0.76 -0.39 0.00 -0.26 0.00 0.00 57.72 56.46 3h59 n HIS 95 Cb 0.87 -0.26 0.04 0.00 1.12 0.00 0.00 29.99 31.76 3h59 n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h59 n SER 96 N -0.07 1.70 -4.63 0.41 2.88 -0.55 -4.89 113.62 108.48 3h59 n SER 96 Ca 0.20 0.93 -0.48 0.00 -1.33 0.00 0.00 58.87 58.20 3h59 n SER 96 Cb 0.82 -1.46 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 3h59 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h59 n ALA 97 N -1.15 0.22 -1.34 -1.46 0.00 -1.26 -4.28 120.51 111.24 3h59 n ALA 97 Ca 0.11 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 3h59 n ALA 97 Cb 0.44 -2.18 0.08 0.00 0.00 0.00 0.00 19.45 17.79 3h59 n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h59 s LYS 98 N 0.05 2.41 0.49 0.00 -2.85 -1.26 -4.60 119.74 113.99 3h59 s LYS 98 Ca 0.75 1.30 -0.22 0.00 -1.00 0.00 0.00 55.97 56.80 3h59 s LYS 98 Cb -0.77 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 33.02 3h59 s LYS 98 CO 0.47 -1.54 1.17 0.45 0.10 0.00 0.00 175.35 176.01 3h59 s SER 99 N -2.99 5.95 0.11 0.03 0.15 -0.18 -4.67 113.70 112.10 3h59 s SER 99 Ca 0.64 2.31 0.15 0.00 0.70 0.00 0.00 55.95 59.75 3h59 s SER 99 Cb -0.19 -2.60 0.66 0.00 -1.71 0.00 0.00 66.02 62.18 3h59 s SER 99 CO 0.50 -1.07 1.46 0.29 1.20 0.00 0.00 173.24 175.62 3h59 n LYS 100 N -0.77 0.07 -0.96 5.44 5.02 -1.26 -3.83 118.16 121.87 3h59 n LYS 100 Ca 0.09 0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 56.67 3h59 n LYS 100 Cb 0.49 -1.65 0.21 0.00 -0.02 0.00 0.00 35.03 34.05 3h59 n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h59 n PHE 101 N -1.79 1.90 -2.31 2.13 3.72 -1.26 -4.95 117.46 114.90 3h59 n PHE 101 Ca 0.02 -1.61 -0.01 0.00 -0.05 0.00 0.00 57.45 55.80 3h59 n PHE 101 Cb 0.13 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 3h59 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h59 n GLY 102 N -1.01 0.69 3.37 1.37 0.00 -1.25 -5.04 105.19 103.31 3h59 n GLY 102 Ca 0.43 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 3h59 n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h59 s TYR 103 N -2.61 -0.37 0.49 1.61 -0.85 -1.26 -4.95 117.35 109.41 3h59 s TYR 103 Ca 0.01 0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.83 3h59 s TYR 103 Cb -0.00 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.70 3h59 s TYR 103 CO 0.01 -0.69 0.16 0.41 -1.52 0.00 0.00 175.55 173.92 3h59 n GLY 104 N 0.10 3.26 0.22 5.49 0.00 -1.26 -1.01 105.19 111.99 3h59 n GLY 104 Ca -0.17 -2.33 0.07 0.00 0.00 0.00 0.00 46.02 43.58 3h59 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h59 h ALA 105 N 1.01 1.42 -0.24 4.61 0.00 -1.81 -2.08 119.26 122.18 3h59 h ALA 105 Ca -0.37 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 3h59 h ALA 105 Cb 1.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3h59 h ALA 105 CO 0.59 0.30 -0.50 0.87 0.00 0.00 0.00 179.25 180.51 3h59 h LYS 106 N 0.00 0.65 -0.60 0.00 1.57 -1.88 -1.41 116.57 114.89 3h59 h LYS 106 Ca -0.00 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 3h59 h LYS 106 Cb 0.48 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3h59 h LYS 106 CO 0.03 1.00 0.12 -0.44 -0.57 0.00 0.00 179.45 179.59 3h59 h ASP 107 N 0.51 0.91 0.66 0.86 3.32 -1.85 -1.36 116.42 119.47 3h59 h ASP 107 Ca 0.02 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3h59 h ASP 107 Cb 1.05 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.37 3h59 h ASP 107 CO 0.10 0.90 -0.32 0.58 -1.72 0.00 0.00 179.24 178.78 3h59 h VAL 108 N 0.91 0.33 -0.92 -1.35 2.07 -1.24 -1.38 116.25 114.67 3h59 h VAL 108 Ca 0.19 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.76 3h59 h VAL 108 Cb 0.37 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 3h59 h VAL 108 CO 0.01 0.01 0.59 0.03 0.02 0.00 0.00 177.57 178.23 3h59 h ARG 109 N -0.94 0.77 0.00 1.57 3.08 -1.22 0.03 114.38 117.67 3h59 h ARG 109 Ca -0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3h59 h ARG 109 Cb 0.70 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3h59 h ARG 109 CO 0.15 0.51 0.00 0.09 -1.07 0.00 0.00 179.97 179.65 3h59 n ASN 110 N -4.58 0.00 -3.14 7.04 3.02 -0.52 -4.82 115.26 112.26 3h59 n ASN 110 Ca 0.18 0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 54.92 3h59 n ASN 110 Cb 0.42 -0.46 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 3h59 n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h59 n LEU 111 N -1.46 -3.29 -4.75 3.41 4.77 -0.00 -4.96 117.00 110.73 3h59 n LEU 111 Ca 0.07 -0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 3h59 n LEU 111 Cb 0.25 -2.69 -0.03 0.00 -2.33 0.00 0.00 43.42 38.62 3h59 n LEU 111 CO 0.21 0.53 0.88 -0.94 -1.33 0.00 0.00 177.39 176.73 3h59 s SER 112 N -3.40 7.08 0.31 -1.43 1.04 -0.58 -4.78 113.70 111.94 3h59 s SER 112 Ca 0.43 2.32 0.07 0.00 0.48 0.00 0.00 55.95 59.26 3h59 s SER 112 Cb -0.19 -2.62 0.86 0.00 0.10 0.00 0.00 66.02 64.17 3h59 s SER 112 CO 0.63 -0.34 1.66 0.77 0.98 0.00 0.00 173.24 176.94 3h59 h SER 113 N 4.57 0.27 -0.48 7.02 4.64 -1.92 0.14 113.55 127.78 3h59 h SER 113 Ca -0.46 0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3h59 h SER 113 Cb 1.21 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 3h59 h SER 113 CO 0.71 -0.11 0.26 0.50 -0.87 0.00 0.00 176.83 177.32 3h59 h LYS 114 N 0.30 0.67 0.29 4.77 3.64 -1.96 -1.20 116.57 123.09 3h59 h LYS 114 Ca 0.63 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.91 3h59 h LYS 114 Cb 1.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3h59 h LYS 114 CO -0.61 0.54 -0.14 0.00 -2.27 0.00 0.00 179.45 176.97 3h59 h ALA 115 N 1.10 -0.40 -0.48 5.00 0.00 -1.11 -2.53 119.26 120.85 3h59 h ALA 115 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h59 h ALA 115 Cb 0.07 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3h59 h ALA 115 CO -0.03 -0.55 0.31 0.28 0.00 0.00 0.00 179.25 179.26 3h59 h VAL 116 N -0.73 1.11 -0.55 0.00 2.07 -1.22 -1.07 116.25 115.86 3h59 h VAL 116 Ca -0.04 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3h59 h VAL 116 Cb 0.49 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3h59 h VAL 116 CO 0.07 0.11 0.23 0.78 0.02 0.00 0.00 177.57 178.78 3h59 h ASN 117 N 0.63 0.28 -0.50 0.57 2.35 -1.30 -1.13 115.58 116.49 3h59 h ASN 117 Ca 0.18 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 3h59 h ASN 117 Cb -0.06 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3h59 h ASN 117 CO -0.05 0.19 -0.13 -0.74 -1.65 0.00 0.00 177.43 175.05 3h59 h HIS 118 N 0.44 1.10 -0.37 1.19 2.76 -1.07 -2.50 115.15 116.70 3h59 h HIS 118 Ca 0.26 -0.23 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3h59 h HIS 118 Cb 0.25 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3h59 h HIS 118 CO -0.14 1.03 0.19 0.82 -1.30 0.00 0.00 177.93 178.53 3h59 h ILE 119 N 0.87 1.16 -0.85 6.26 2.04 -0.90 -0.92 117.51 125.18 3h59 h ILE 119 Ca 0.13 -0.46 0.13 0.00 1.00 0.00 0.00 64.86 65.67 3h59 h ILE 119 Cb 0.68 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3h59 h ILE 119 CO 0.05 0.17 0.55 0.45 0.00 0.00 0.00 178.15 179.37 3h59 h HIS 120 N 0.47 0.78 -0.14 1.37 3.86 -1.11 -1.44 115.15 118.93 3h59 h HIS 120 Ca 0.13 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.18 3h59 h HIS 120 Cb 0.10 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 3h59 h HIS 120 CO -0.02 0.31 -0.65 0.66 0.86 0.00 0.00 177.93 179.09 3h59 h SER 121 N 0.68 0.60 -0.55 2.45 4.64 -0.87 -1.72 113.55 118.78 3h59 h SER 121 Ca 0.41 -0.36 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3h59 h SER 121 Cb 0.65 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3h59 h SER 121 CO -0.18 1.09 0.04 0.58 -0.87 0.00 0.00 176.83 177.50 3h59 h VAL 122 N 0.37 1.26 -0.04 0.95 2.07 -0.63 -2.27 116.25 117.97 3h59 h VAL 122 Ca -0.02 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3h59 h VAL 122 Cb 1.22 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3h59 h VAL 122 CO 0.12 0.37 0.02 -0.25 0.02 0.00 0.00 177.57 177.85 3h59 h TRP 123 N 0.82 0.05 -0.14 1.57 2.91 -1.19 0.15 115.95 120.12 3h59 h TRP 123 Ca 0.16 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.22 3h59 h TRP 123 Cb 0.47 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.07 3h59 h TRP 123 CO 0.03 0.18 -0.12 -0.22 -1.03 0.00 0.00 178.44 177.28 3h59 h LYS 124 N -0.09 -0.13 -0.57 2.65 3.64 -1.32 -0.80 116.57 119.96 3h59 h LYS 124 Ca 0.01 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3h59 h LYS 124 Cb 0.15 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3h59 h LYS 124 CO -0.00 -0.09 0.16 0.22 -2.27 0.00 0.00 179.45 177.48 3h59 h ASP 125 N -0.13 0.11 -1.00 4.20 3.58 -1.24 -0.59 116.42 121.35 3h59 h ASP 125 Ca 0.09 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.68 3h59 h ASP 125 Cb 0.27 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 3h59 h ASP 125 CO -0.22 0.07 0.65 -0.07 -2.88 0.00 0.00 179.24 176.79 3h59 h LEU 126 N 0.32 1.06 -0.88 2.28 3.38 0.08 -0.90 115.31 120.65 3h59 h LEU 126 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 3h59 h LEU 126 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h59 h LEU 126 CO -0.33 0.70 -0.47 -0.07 0.09 0.00 0.00 178.44 178.36 3h59 h LEU 127 N 1.21 0.22 0.13 1.67 3.38 -0.08 -3.32 115.31 118.52 3h59 h LEU 127 Ca 0.42 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.98 3h59 h LEU 127 Cb 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h59 h LEU 127 CO -0.15 0.66 -1.50 -0.33 0.09 0.00 0.00 178.44 177.20 3h59 h GLU 128 N 0.16 0.26 -4.66 1.13 5.08 -0.71 -3.45 114.58 112.40 3h59 h GLU 128 Ca 0.01 -0.45 -0.63 0.00 -1.00 0.00 0.00 59.36 57.29 3h59 h GLU 128 Cb 0.89 0.17 -0.37 0.00 0.50 0.00 0.00 28.75 29.95 3h59 h GLU 128 CO 0.07 1.14 -0.81 0.34 -1.00 0.00 0.00 179.01 178.75 3h59 s ASP 129 N -7.02 3.50 -0.18 1.42 -1.08 -0.38 -4.99 116.67 107.93 3h59 s ASP 129 Ca -0.09 -0.93 0.17 0.00 -0.52 0.00 0.00 52.55 51.18 3h59 s ASP 129 Cb 0.07 -1.30 0.53 0.00 -1.46 0.00 0.00 42.92 40.76 3h59 s ASP 129 CO 0.86 -0.14 1.42 0.35 0.52 0.00 0.00 175.17 178.18 3h59 n THR 130 N 4.65 2.28 0.00 1.71 -2.24 -1.26 -4.58 114.28 114.83 3h59 n THR 130 Ca -0.15 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 3h59 n THR 130 Cb 0.46 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3h59 n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3h59 n VAL 131 N -0.53 0.00 -2.18 2.28 0.24 -1.26 -4.64 118.33 112.24 3h59 n VAL 131 Ca 0.21 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.09 3h59 n VAL 131 Cb 0.89 -0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 3h59 n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h59 s THR 132 N -1.51 3.84 0.21 3.34 2.01 -1.26 -4.77 115.64 117.50 3h59 s THR 132 Ca 0.00 1.00 -0.32 0.00 0.31 0.00 0.00 61.69 62.68 3h59 s THR 132 Cb 0.00 -3.72 -0.14 0.00 0.01 0.00 0.00 72.50 68.65 3h59 s THR 132 CO 0.00 -0.17 1.31 -2.65 -0.69 0.00 0.00 174.62 172.42 3h59 n PRO 133 N 7.15 1.67 -3.21 4.92 -0.02 -1.26 -4.70 135.00 139.54 3h59 n PRO 133 Ca 0.17 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 3h59 n PRO 133 Cb 0.44 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3h59 n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h59 s ILE 134 N -0.08 4.83 0.45 4.25 1.01 0.12 -4.92 121.20 126.85 3h59 s ILE 134 Ca 0.71 1.26 -0.25 0.00 0.00 0.00 0.00 60.65 62.37 3h59 s ILE 134 Cb -0.74 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 37.72 3h59 s ILE 134 CO 0.50 0.46 1.42 -0.62 0.00 0.00 0.00 174.94 176.71 3h59 s ASP 135 N -0.50 5.89 0.12 3.58 2.15 -1.26 -4.31 116.67 122.34 3h59 s ASP 135 Ca 0.31 2.91 0.04 0.00 0.43 0.00 0.00 52.55 56.23 3h59 s ASP 135 Cb -0.19 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.74 3h59 s ASP 135 CO 0.18 -1.16 -0.10 0.42 -0.17 0.00 0.00 175.17 174.34 3h59 s THR 136 N -1.21 1.02 -0.14 1.71 -4.23 -0.99 -4.35 115.64 107.46 3h59 s THR 136 Ca 0.61 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 59.18 3h59 s THR 136 Cb -0.43 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 3h59 s THR 136 CO 0.56 -0.68 0.07 -0.89 -0.54 0.00 0.00 174.62 173.14 3h59 s THR 137 N -3.00 4.89 -0.12 3.99 2.01 0.10 -0.66 115.64 122.85 3h59 s THR 137 Ca 0.12 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 3h59 s THR 137 Cb 0.01 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 3h59 s THR 137 CO -0.00 0.54 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.88 3h59 s ILE 138 N -0.36 3.54 0.04 1.82 2.07 -0.73 -1.78 121.20 125.81 3h59 s ILE 138 Ca 0.09 -0.50 -0.02 0.00 -1.41 0.00 0.00 60.65 58.81 3h59 s ILE 138 Cb -0.12 -2.50 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 3h59 s ILE 138 CO 0.02 0.54 0.01 -0.04 -1.91 0.00 0.00 174.94 173.56 3h59 s MET 139 N -0.02 0.57 -0.09 3.50 -1.94 -0.45 -4.38 119.30 116.49 3h59 s MET 139 Ca -0.01 -0.98 -0.24 0.00 -1.71 0.00 0.00 55.69 52.75 3h59 s MET 139 Cb -0.14 0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 3h59 s MET 139 CO 0.03 -0.12 0.72 0.00 -0.01 0.00 0.00 175.02 175.65 3h59 s ALA 140 N -3.17 3.38 0.39 3.03 0.00 -1.26 -1.04 121.76 123.09 3h59 s ALA 140 Ca -0.00 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 3h59 s ALA 140 Cb 0.02 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 3h59 s ALA 140 CO -0.07 -0.23 1.16 0.15 0.00 0.00 0.00 175.76 176.76 3h59 s LYS 141 N 1.12 4.13 -0.38 0.00 1.02 0.22 -4.80 119.74 121.04 3h59 s LYS 141 Ca 0.37 1.82 -0.07 0.00 0.02 0.00 0.00 55.97 58.11 3h59 s LYS 141 Cb -0.17 -2.72 0.06 0.00 -0.52 0.00 0.00 37.83 34.48 3h59 s LYS 141 CO 0.17 -0.25 0.18 -0.80 -0.92 0.00 0.00 175.35 173.72 3h59 s ASN 142 N -1.13 5.44 0.06 2.83 0.02 -1.26 -4.41 114.94 116.50 3h59 s ASN 142 Ca 0.56 -1.37 0.06 0.00 -1.02 0.00 0.00 52.86 51.08 3h59 s ASN 142 Cb -0.30 -1.91 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 3h59 s ASN 142 CO 0.38 -0.43 -0.16 -1.61 0.02 0.00 0.00 177.10 175.30 3h59 s GLU 143 N 1.39 0.94 -0.12 -0.60 2.02 -1.26 -4.88 118.70 116.19 3h59 s GLU 143 Ca 0.01 -0.93 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 3h59 s GLU 143 Cb -0.21 -1.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.98 3h59 s GLU 143 CO 0.02 0.23 0.20 0.08 0.02 0.00 0.00 175.26 175.81 3h59 s VAL 144 N -1.09 5.40 0.18 2.63 1.01 -1.26 -1.26 120.40 126.01 3h59 s VAL 144 Ca 0.01 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3h59 s VAL 144 Cb -0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3h59 s VAL 144 CO 0.02 0.56 0.15 -0.36 0.00 0.00 0.00 175.10 175.47 3h59 s PHE 145 N -0.66 0.97 -0.05 5.22 0.08 -0.34 -4.76 117.98 118.44 3h59 s PHE 145 Ca 0.15 -1.25 -0.14 0.00 0.12 0.00 0.00 56.93 55.81 3h59 s PHE 145 Cb -0.13 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 3h59 s PHE 145 CO 0.05 -0.64 0.38 0.00 -0.10 0.00 0.00 175.22 174.90 3h59 n VAL 147 N 2.34 1.51 -2.44 0.00 0.24 0.15 -5.00 118.33 115.13 3h59 n VAL 147 Ca -0.13 -0.38 -0.01 0.00 -2.04 0.00 0.00 64.34 61.78 3h59 n VAL 147 Cb 0.52 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3h59 n VAL 147 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3h59 n GLN 148 N 1.22 -0.84 -4.02 7.34 -0.06 -1.26 -5.08 117.38 114.68 3h59 n GLN 148 Ca 0.11 1.04 -0.34 0.00 -2.00 0.00 0.00 57.00 55.81 3h59 n GLN 148 Cb 0.30 -4.04 -0.14 0.00 -4.06 0.00 0.00 30.24 22.29 3h59 n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3h59 s ARG 154 N -3.08 3.29 0.27 3.69 0.52 -1.26 -5.23 118.95 117.15 3h59 s ARG 154 Ca 0.03 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 3h59 s ARG 154 Cb -0.00 -2.88 -0.11 0.00 0.52 0.00 0.00 34.95 32.48 3h59 s ARG 154 CO 0.45 -0.17 1.51 0.15 0.02 0.00 0.00 175.30 177.26 3h59 s LYS 155 N 1.36 4.20 0.77 3.54 1.02 -1.26 -5.00 119.74 124.36 3h59 s LYS 155 Ca 0.04 2.44 -0.11 0.00 0.02 0.00 0.00 55.97 58.36 3h59 s LYS 155 Cb -0.14 -3.07 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 3h59 s LYS 155 CO -0.05 -0.52 1.09 -2.14 -0.92 0.00 0.00 175.35 172.80 3h59 s PRO 156 N -0.44 2.30 0.27 -1.68 0.02 -1.26 -4.84 135.00 129.37 3h59 s PRO 156 Ca 0.61 1.12 -0.31 0.00 0.02 0.00 0.00 61.00 62.44 3h59 s PRO 156 Cb -0.45 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.04 3h59 s PRO 156 CO 0.46 -1.59 1.48 0.00 -0.33 0.00 0.00 177.00 177.01 3h59 n ALA 157 N -3.48 1.72 -1.49 -1.55 0.00 -1.26 -4.95 120.51 109.50 3h59 n ALA 157 Ca 0.09 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 3h59 n ALA 157 Cb 0.53 -2.35 0.05 0.00 0.00 0.00 0.00 19.45 17.68 3h59 n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h59 s ARG 158 N -0.53 2.75 0.04 0.00 0.52 -1.26 -4.66 118.95 115.81 3h59 s ARG 158 Ca 0.66 1.36 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 3h59 s ARG 158 Cb -0.58 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3h59 s ARG 158 CO 0.50 -1.29 0.14 -0.51 0.02 0.00 0.00 175.30 174.16 3h59 s LEU 159 N -4.98 4.09 -0.05 2.53 1.02 -1.26 -0.61 118.68 119.42 3h59 s LEU 159 Ca 0.66 0.17 0.04 0.00 0.02 0.00 0.00 54.13 55.03 3h59 s LEU 159 Cb -0.20 -2.59 -0.00 0.00 0.02 0.00 0.00 46.19 43.41 3h59 s LEU 159 CO 0.43 0.21 -0.18 -0.51 0.02 0.00 0.00 176.35 176.32 3h59 s ILE 160 N -1.36 1.51 -0.15 -0.59 1.10 -0.20 -4.87 121.20 116.64 3h59 s ILE 160 Ca 0.29 -0.75 -0.00 0.00 -0.51 0.00 0.00 60.65 59.67 3h59 s ILE 160 Cb -0.12 -1.30 0.03 0.00 0.15 0.00 0.00 42.46 41.22 3h59 s ILE 160 CO 0.21 0.43 -0.08 -0.69 -2.11 0.00 0.00 174.94 172.70 3h59 s VAL 161 N 0.07 1.21 -0.05 4.00 1.01 -1.26 -1.34 120.40 124.04 3h59 s VAL 161 Ca -0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3h59 s VAL 161 Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3h59 s VAL 161 CO 0.03 0.27 0.20 0.72 0.00 0.00 0.00 175.10 176.32 3h59 s PHE 162 N 1.61 -0.14 0.81 5.22 -0.71 -0.73 -0.70 117.98 123.34 3h59 s PHE 162 Ca 0.03 0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 56.14 3h59 s PHE 162 Cb -0.14 0.04 0.12 0.00 -1.21 0.00 0.00 43.02 41.83 3h59 s PHE 162 CO -0.08 -0.20 1.15 -1.25 -1.34 0.00 0.00 175.22 173.49 3h59 s PRO 163 N -0.52 1.56 0.71 1.99 0.04 -1.26 -0.72 135.00 136.79 3h59 s PRO 163 Ca -0.06 -0.36 -0.15 0.00 0.04 0.00 0.00 61.00 60.46 3h59 s PRO 163 Cb -0.04 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3h59 s PRO 163 CO 0.01 -1.73 1.20 0.34 0.04 0.00 0.00 177.00 176.86 3h59 s ASP 164 N -4.68 4.41 0.30 6.66 2.15 -1.26 -4.73 116.67 119.51 3h59 s ASP 164 Ca 0.66 2.32 0.05 0.00 0.43 0.00 0.00 52.55 56.01 3h59 s ASP 164 Cb -0.08 -2.59 0.71 0.00 -0.30 0.00 0.00 42.92 40.67 3h59 s ASP 164 CO 0.48 -2.12 1.79 0.25 -0.17 0.00 0.00 175.17 175.40 3h59 h LEU 165 N -0.13 0.81 -0.36 -1.34 5.85 -1.83 0.62 115.31 118.93 3h59 h LEU 165 Ca -0.48 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3h59 h LEU 165 Cb 1.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3h59 h LEU 165 CO 0.51 0.31 0.12 1.23 -0.34 0.00 0.00 178.44 180.27 3h59 h GLY 166 N 0.80 0.45 1.21 3.75 0.00 -1.95 -2.35 103.07 104.99 3h59 h GLY 166 Ca 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 3h59 h GLY 166 CO -0.36 0.03 0.39 -2.08 0.00 0.00 0.00 176.54 174.52 3h59 h VAL 167 N 0.27 1.22 -0.80 4.60 2.07 -1.26 -2.57 116.25 119.78 3h59 h VAL 167 Ca 0.16 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3h59 h VAL 167 Cb 0.14 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3h59 h VAL 167 CO -0.17 0.25 0.33 0.03 0.02 0.00 0.00 177.57 178.03 3h59 h ARG 168 N 1.03 1.19 -0.72 1.57 3.08 -0.97 -0.36 114.38 119.20 3h59 h ARG 168 Ca 0.26 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3h59 h ARG 168 Cb 0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3h59 h ARG 168 CO -0.04 0.95 0.29 0.28 -1.07 0.00 0.00 179.97 180.39 3h59 h VAL 169 N 1.15 1.25 -0.68 2.04 2.07 -1.23 -2.61 116.25 118.24 3h59 h VAL 169 Ca 0.27 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3h59 h VAL 169 Cb 0.21 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3h59 h VAL 169 CO -0.02 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.23 3h59 h GLU 171 N 0.94 0.22 -0.15 0.00 5.08 -0.91 -1.78 114.58 117.98 3h59 h GLU 171 Ca 0.24 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3h59 h GLU 171 Cb 0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3h59 h GLU 171 CO -0.03 0.14 0.02 0.87 -1.00 0.00 0.00 179.01 179.01 3h59 h LYS 172 N 0.22 0.08 -0.42 2.33 1.57 -1.14 -0.28 116.57 118.93 3h59 h LYS 172 Ca 0.30 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 3h59 h LYS 172 Cb 0.44 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 3h59 h LYS 172 CO -0.40 0.05 0.11 0.52 -0.57 0.00 0.00 179.45 179.16 3h59 h MET 173 N 0.08 0.25 -0.09 3.15 2.86 -1.01 0.13 114.93 120.30 3h59 h MET 173 Ca 0.07 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.49 3h59 h MET 173 Cb 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3h59 h MET 173 CO -0.10 0.16 -0.77 0.00 1.06 0.00 0.00 176.91 177.26 3h59 h ALA 174 N 1.30 0.48 0.00 6.32 0.00 -1.19 -2.26 119.26 123.90 3h59 h ALA 174 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h59 h ALA 174 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h59 h ALA 174 CO -0.24 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.03 3h59 n LEU 175 N -3.86 0.07 -0.18 0.00 4.77 -0.13 -4.78 117.00 112.89 3h59 n LEU 175 Ca -0.06 -0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 55.64 3h59 n LEU 175 Cb 0.74 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.91 3h59 n LEU 175 CO 0.50 0.02 0.96 0.22 -1.33 0.00 0.00 177.39 177.76 3h59 h TYR 176 N 0.00 0.32 -0.49 -1.77 3.20 -0.83 -1.41 116.97 115.98 3h59 h TYR 176 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3h59 h TYR 176 Cb 0.04 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3h59 h TYR 176 CO 0.00 0.08 -0.20 0.22 -1.64 0.00 0.00 178.16 176.62 3h59 h ASP 177 N 0.35 1.03 0.55 -2.11 3.58 -1.79 -2.02 116.42 116.02 3h59 h ASP 177 Ca 0.27 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 3h59 h ASP 177 Cb 0.31 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3h59 h ASP 177 CO -0.28 1.19 -0.31 0.58 -2.88 0.00 0.00 179.24 177.54 3h59 h VAL 178 N 0.87 0.37 0.00 2.25 2.07 -1.77 -2.20 116.25 117.84 3h59 h VAL 178 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3h59 h VAL 178 Cb 0.78 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3h59 h VAL 178 CO 0.06 0.00 -0.17 -0.37 0.02 0.00 0.00 177.57 177.12 3h59 h VAL 179 N -0.80 0.51 0.00 2.57 -1.51 -1.24 0.28 116.25 116.06 3h59 h VAL 179 Ca -0.07 -0.84 -0.18 0.00 -1.23 0.00 0.00 66.70 64.38 3h59 h VAL 179 Cb 0.64 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 3h59 h VAL 179 CO 0.09 0.16 -0.85 0.28 -1.23 0.00 0.00 177.57 176.03 3h59 h SER 180 N 0.00 0.01 0.00 4.19 0.02 -1.31 -3.42 113.55 113.05 3h59 h SER 180 Ca -0.00 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 3h59 h SER 180 Cb 0.57 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3h59 h SER 180 CO 0.02 0.85 -1.57 0.41 -1.14 0.00 0.00 176.83 175.40 3h59 n THR 181 N -3.54 0.58 -0.16 -2.27 -1.04 -0.83 -4.60 114.28 102.41 3h59 n THR 181 Ca -0.01 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.60 3h59 n THR 181 Cb 0.81 -0.82 -0.00 0.00 -1.82 0.00 0.00 70.33 68.49 3h59 n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h59 h LEU 182 N 0.00 1.02 -0.61 -4.42 6.46 -0.67 -3.29 115.31 113.80 3h59 h LEU 182 Ca -0.23 -0.40 0.02 0.00 -0.12 0.00 0.00 57.88 57.15 3h59 h LEU 182 Cb 1.44 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 3h59 h LEU 182 CO -0.01 1.20 0.39 -0.65 -0.62 0.00 0.00 178.44 178.74 3h59 h PRO 183 N 0.84 0.76 -0.14 5.25 0.11 -1.80 -1.22 132.00 135.80 3h59 h PRO 183 Ca 0.10 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3h59 h PRO 183 Cb 0.81 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3h59 h PRO 183 CO 0.07 0.50 -0.25 0.37 -0.21 0.00 0.00 178.00 178.49 3h59 h GLN 184 N 0.78 0.25 -0.12 1.05 -0.00 -1.88 -0.23 115.11 114.96 3h59 h GLN 184 Ca 0.23 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.76 3h59 h GLN 184 Cb -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.42 3h59 h GLN 184 CO -0.07 0.48 -0.08 0.28 0.00 0.00 0.00 178.83 179.44 3h59 h VAL 185 N 0.22 1.33 -0.40 2.39 2.07 -1.51 0.33 116.25 120.69 3h59 h VAL 185 Ca 0.04 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 3h59 h VAL 185 Cb 0.56 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3h59 h VAL 185 CO 0.04 0.33 -0.11 0.58 0.02 0.00 0.00 177.57 178.43 3h59 h VAL 186 N -0.10 1.25 0.00 2.57 2.07 -1.10 -3.37 116.25 117.57 3h59 h VAL 186 Ca 0.02 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3h59 h VAL 186 Cb 0.57 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3h59 h VAL 186 CO 0.02 0.38 -0.98 0.23 0.02 0.00 0.00 177.57 177.24 3h59 n MET 187 N -4.17 1.79 0.00 1.57 2.81 -0.11 -4.88 117.12 114.13 3h59 n MET 187 Ca 0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3h59 n MET 187 Cb 0.35 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 3h59 n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h59 n GLY 188 N 1.76 2.48 0.17 3.03 0.00 0.12 -2.78 105.19 109.96 3h59 n GLY 188 Ca -0.00 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.75 3h59 n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h59 h SER 189 N 5.04 0.00 1.31 1.61 4.64 -1.96 -2.09 113.55 122.11 3h59 h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h59 h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h59 h SER 189 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3h59 h SER 190 N 0.00 0.00 -2.89 4.97 0.02 -1.70 -3.43 113.55 110.51 3h59 h SER 190 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3h59 h SER 190 Cb 0.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3h59 h SER 190 CO 0.00 0.00 1.17 -0.47 -1.14 0.00 0.00 176.83 176.39 3h59 s TYR 191 N -3.45 2.11 0.06 3.45 5.04 -0.79 -1.42 117.35 122.35 3h59 s TYR 191 Ca 0.04 0.64 0.16 0.00 -2.44 0.00 0.00 57.07 55.47 3h59 s TYR 191 Cb 0.08 -4.24 0.39 0.00 0.35 0.00 0.00 41.96 38.54 3h59 s TYR 191 CO 0.57 -2.34 1.60 0.78 -1.34 0.00 0.00 175.55 174.81 3h59 h GLY 192 N 13.22 0.00 1.63 8.97 0.00 -1.57 -3.24 103.07 122.08 3h59 h GLY 192 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3h59 h GLY 192 CO 1.09 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.32 3h59 n PHE 193 N -3.43 0.00 1.04 5.60 3.72 -1.26 -2.40 117.46 120.74 3h59 n PHE 193 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3h59 n PHE 193 Cb 0.62 -0.31 0.57 0.00 -0.94 0.00 0.00 39.48 39.42 3h59 n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h59 n GLN 194 N -1.31 0.26 -4.34 -1.08 10.64 -1.22 -3.15 117.38 117.17 3h59 n GLN 194 Ca 0.10 0.07 -0.34 0.00 -1.83 0.00 0.00 57.00 55.00 3h59 n GLN 194 Cb 0.19 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.97 3h59 n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3h59 s TYR 195 N -2.67 3.12 0.89 2.61 2.02 -1.01 -4.70 117.35 117.62 3h59 s TYR 195 Ca 0.20 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.79 3h59 s TYR 195 Cb 0.16 -1.88 0.13 0.00 -0.40 0.00 0.00 41.96 39.96 3h59 s TYR 195 CO 0.37 0.26 1.11 -1.54 -1.57 0.00 0.00 175.55 174.18 3h59 s SER 196 N -0.30 3.60 0.19 2.29 1.04 -1.26 -4.74 113.70 114.52 3h59 s SER 196 Ca 0.06 1.18 -0.12 0.00 0.48 0.00 0.00 55.95 57.55 3h59 s SER 196 Cb -0.12 -1.83 0.19 0.00 0.10 0.00 0.00 66.02 64.36 3h59 s SER 196 CO 0.02 -2.52 1.75 -0.65 0.98 0.00 0.00 173.24 172.83 3h59 h PRO 197 N -1.47 0.38 -0.91 4.02 0.11 -1.91 0.72 132.00 132.94 3h59 h PRO 197 Ca -0.50 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3h59 h PRO 197 Cb 1.31 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3h59 h PRO 197 CO 0.59 0.25 0.60 0.78 -0.21 0.00 0.00 178.00 180.02 3h59 h GLY 198 N 0.40 1.31 1.05 -0.55 0.00 -1.71 -1.17 103.07 102.39 3h59 h GLY 198 Ca 0.25 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3h59 h GLY 198 CO -0.24 0.39 -0.10 1.46 0.00 0.00 0.00 176.54 178.05 3h59 h GLN 199 N 1.15 0.93 -0.42 4.80 4.20 -1.63 -2.86 115.11 121.28 3h59 h GLN 199 Ca 0.36 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3h59 h GLN 199 Cb 0.01 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3h59 h GLN 199 CO -0.11 1.01 0.10 -0.09 -0.67 0.00 0.00 178.83 179.08 3h59 h ARG 200 N 0.79 0.68 -0.28 1.46 2.43 -0.34 -1.57 114.38 117.55 3h59 h ARG 200 Ca 0.13 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3h59 h ARG 200 Cb 0.65 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3h59 h ARG 200 CO 0.05 0.69 -0.25 0.28 -1.51 0.00 0.00 179.97 179.22 3h59 h VAL 201 N 0.55 1.27 -0.28 0.20 2.07 -1.29 -1.97 116.25 116.80 3h59 h VAL 201 Ca 0.13 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3h59 h VAL 201 Cb 0.31 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3h59 h VAL 201 CO 0.00 0.42 0.13 -0.08 0.02 0.00 0.00 177.57 178.05 3h59 h GLU 202 N 0.48 0.41 -0.41 1.57 4.81 -1.32 -1.70 114.58 118.42 3h59 h GLU 202 Ca 0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3h59 h GLU 202 Cb 0.69 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3h59 h GLU 202 CO 0.05 0.41 0.24 0.35 -0.73 0.00 0.00 179.01 179.33 3h59 h PHE 203 N 0.31 0.56 -0.38 0.92 3.57 -1.00 0.14 116.94 121.06 3h59 h PHE 203 Ca 0.10 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3h59 h PHE 203 Cb 0.14 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3h59 h PHE 203 CO -0.01 0.41 0.19 -0.07 -2.23 0.00 0.00 178.31 176.60 3h59 h LEU 204 N 0.54 0.49 -0.10 0.59 3.38 -1.33 -0.67 115.31 118.22 3h59 h LEU 204 Ca 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3h59 h LEU 204 Cb 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3h59 h LEU 204 CO -0.03 0.47 -0.01 0.58 0.09 0.00 0.00 178.44 179.54 3h59 h VAL 205 N 0.48 1.27 -0.70 1.22 2.07 -1.18 0.17 116.25 119.57 3h59 h VAL 205 Ca 0.13 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.81 3h59 h VAL 205 Cb 0.10 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3h59 h VAL 205 CO -0.02 0.24 0.45 0.78 0.02 0.00 0.00 177.57 179.04 3h59 h ASN 206 N -0.11 0.75 0.36 0.57 2.35 -0.72 0.55 115.58 119.32 3h59 h ASN 206 Ca 0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3h59 h ASN 206 Cb 0.39 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3h59 h ASN 206 CO 0.01 0.52 -0.17 0.74 -1.65 0.00 0.00 177.43 176.88 3h59 h THR 207 N 0.89 0.65 -0.57 2.81 2.02 -1.08 -0.70 112.91 116.93 3h59 h THR 207 Ca 0.28 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 67.44 3h59 h THR 207 Cb -0.01 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 3h59 h THR 207 CO -0.10 0.03 0.04 -0.25 0.37 0.00 0.00 175.52 175.61 3h59 h TRP 208 N -0.55 0.04 0.00 3.16 2.91 -0.69 -1.35 115.95 119.48 3h59 h TRP 208 Ca -0.05 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 3h59 h TRP 208 Cb 0.41 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 3h59 h TRP 208 CO -0.03 -0.10 -0.23 0.87 -1.03 0.00 0.00 178.44 177.92 3h59 h LYS 209 N 0.16 0.00 0.00 2.65 1.57 -0.77 -2.98 116.57 117.20 3h59 h LYS 209 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3h59 h LYS 209 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3h59 h LYS 209 CO -0.45 0.23 0.00 -1.13 -0.57 0.00 0.00 179.45 177.53 3h59 n SER 210 N -3.76 0.68 -4.86 0.86 3.41 -0.28 -4.76 113.62 104.90 3h59 n SER 210 Ca -0.01 0.67 -0.37 0.00 -0.26 0.00 0.00 58.87 58.90 3h59 n SER 210 Cb 0.33 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 3h59 n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h59 s LYS 211 N -3.32 3.66 0.07 4.33 -0.14 -1.13 -5.03 119.74 118.19 3h59 s LYS 211 Ca 0.04 0.09 -0.21 0.00 -1.36 0.00 0.00 55.97 54.53 3h59 s LYS 211 Cb 0.09 -3.16 -0.12 0.00 -1.68 0.00 0.00 37.83 32.97 3h59 s LYS 211 CO 0.40 0.70 1.56 0.87 -0.76 0.00 0.00 175.35 178.12 3h59 h LYS 212 N 4.56 0.24 -2.87 1.68 1.57 -1.88 -3.37 116.57 116.49 3h59 h LYS 212 Ca -0.52 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 57.59 3h59 h LYS 212 Cb 1.22 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.10 3h59 h LYS 212 CO 0.62 0.39 -0.76 -0.80 -0.57 0.00 0.00 179.45 178.32 3h59 s ASN 213 N -5.64 3.39 0.38 0.86 0.01 -1.26 -5.09 114.94 107.60 3h59 s ASN 213 Ca -0.14 -2.83 -0.27 0.00 -0.71 0.00 0.00 52.86 48.91 3h59 s ASN 213 Cb 0.06 -0.97 -0.09 0.00 0.41 0.00 0.00 41.25 40.66 3h59 s ASN 213 CO 0.70 -0.23 1.30 -2.16 -1.51 0.00 0.00 177.10 175.20 3h59 s PRO 214 N 0.11 4.10 0.04 -0.60 0.04 -1.26 -0.51 135.00 136.92 3h59 s PRO 214 Ca 0.21 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.45 3h59 s PRO 214 Cb -0.17 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 3h59 s PRO 214 CO -0.05 -0.38 -0.11 1.41 0.04 0.00 0.00 177.00 177.90 3h59 s MET 215 N -2.09 0.75 0.11 4.56 1.75 -0.42 -4.70 119.30 119.25 3h59 s MET 215 Ca 0.54 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 54.20 3h59 s MET 215 Cb -0.38 -0.69 -0.02 0.00 2.84 0.00 0.00 34.83 36.58 3h59 s MET 215 CO 0.50 0.16 0.15 0.20 -0.65 0.00 0.00 175.02 175.39 3h59 s GLY 216 N -1.21 0.39 0.07 2.11 0.00 -0.60 -0.16 107.32 107.92 3h59 s GLY 216 Ca -0.02 -0.92 -0.20 0.00 0.00 0.00 0.00 44.72 43.58 3h59 s GLY 216 CO 0.01 -0.99 0.48 -0.11 0.00 0.00 0.00 173.10 172.50 3h59 s PHE 217 N -3.93 -0.36 0.08 1.90 -0.71 -0.51 -0.25 117.98 114.20 3h59 s PHE 217 Ca 0.11 0.31 0.01 0.00 -1.04 0.00 0.00 56.93 56.32 3h59 s PHE 217 Cb 0.05 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 3h59 s PHE 217 CO -0.06 -0.66 0.20 -1.54 -1.34 0.00 0.00 175.22 171.82 3h59 s SER 218 N -2.18 6.19 -0.23 1.98 1.04 -1.26 -1.71 113.70 117.53 3h59 s SER 218 Ca -0.03 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3h59 s SER 218 Cb -0.00 -1.86 0.03 0.00 0.10 0.00 0.00 66.02 64.29 3h59 s SER 218 CO -0.05 0.15 -0.12 -0.47 0.98 0.00 0.00 173.24 173.74 3h59 s TYR 219 N -1.53 3.01 -0.56 5.02 5.04 -0.52 -4.62 117.35 123.19 3h59 s TYR 219 Ca 0.34 -1.73 -0.19 0.00 -2.44 0.00 0.00 57.07 53.04 3h59 s TYR 219 Cb -0.13 -1.98 0.08 0.00 0.35 0.00 0.00 41.96 40.28 3h59 s TYR 219 CO 0.27 -0.78 0.70 0.34 -1.34 0.00 0.00 175.55 174.73 3h59 s ASP 220 N 1.27 6.20 0.19 4.32 2.15 -1.26 -4.05 116.67 125.48 3h59 s ASP 220 Ca 0.00 -1.14 -0.30 0.00 0.43 0.00 0.00 52.55 51.54 3h59 s ASP 220 Cb -0.16 -2.31 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 3h59 s ASP 220 CO -0.08 -1.05 1.01 -0.89 -0.17 0.00 0.00 175.17 174.00 3h59 s THR 221 N 2.81 4.09 -0.28 1.71 2.01 -1.26 -1.24 115.64 123.48 3h59 s THR 221 Ca 0.14 1.89 -0.29 0.00 0.31 0.00 0.00 61.69 63.75 3h59 s THR 221 Cb -0.21 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3h59 s THR 221 CO 0.09 0.37 1.38 -0.60 -0.69 0.00 0.00 174.62 175.17 3h59 s ARG 222 N -0.60 3.88 -1.01 4.92 3.52 -0.51 -4.02 118.95 125.13 3h59 s ARG 222 Ca 0.46 1.35 -0.15 0.00 -0.13 0.00 0.00 55.73 57.26 3h59 s ARG 222 Cb -0.27 -3.92 0.01 0.00 -1.56 0.00 0.00 34.95 29.21 3h59 s ARG 222 CO 0.33 -1.16 0.69 0.00 -0.81 0.00 0.00 175.30 174.35 3h59 h PHE 224 N -1.28 -0.52 -0.90 0.00 3.04 -1.96 -1.43 116.94 113.89 3h59 h PHE 224 Ca -0.59 0.07 0.12 0.00 3.98 0.00 0.00 57.97 61.55 3h59 h PHE 224 Cb 1.34 0.35 -0.08 0.00 2.56 0.00 0.00 35.95 40.12 3h59 h PHE 224 CO 0.29 -0.35 0.53 -0.44 -2.02 0.00 0.00 178.31 176.32 3h59 h ASP 225 N -0.02 0.73 0.75 0.41 5.19 -1.92 0.90 116.42 122.46 3h59 h ASP 225 Ca 0.37 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.80 3h59 h ASP 225 Cb 0.58 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 3h59 h ASP 225 CO -0.82 0.37 -0.20 0.28 -3.12 0.00 0.00 179.24 175.75 3h59 h SER 226 N 0.82 0.00 1.60 6.45 0.02 -1.56 -2.39 113.55 118.48 3h59 h SER 226 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3h59 h SER 226 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3h59 h SER 226 CO -0.29 0.20 0.00 0.71 -1.14 0.00 0.00 176.83 176.31 3h59 h THR 227 N 0.00 0.00 -2.96 -2.27 1.35 -0.64 -3.44 112.91 104.95 3h59 h THR 227 Ca -0.00 -0.65 -0.56 0.00 -0.55 0.00 0.00 66.41 64.65 3h59 h THR 227 Cb 0.63 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 3h59 h THR 227 CO 0.03 0.00 0.83 -0.69 -0.25 0.00 0.00 175.52 175.43 3h59 s VAL 228 N -3.18 4.15 0.45 6.82 1.01 -1.09 -4.82 120.40 123.74 3h59 s VAL 228 Ca 0.09 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.59 3h59 s VAL 228 Cb 0.09 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3h59 s VAL 228 CO 0.61 -0.06 0.56 0.42 0.00 0.00 0.00 175.10 176.63 3h59 s THR 229 N 2.88 2.71 0.21 3.92 -4.23 -1.26 -3.85 115.64 116.03 3h59 s THR 229 Ca 0.58 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.90 3h59 s THR 229 Cb -0.25 -2.81 0.15 0.00 1.34 0.00 0.00 72.50 70.94 3h59 s THR 229 CO 0.20 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.00 3h59 h GLU 230 N 0.65 0.64 -0.31 3.99 4.81 -1.88 -2.45 114.58 120.02 3h59 h GLU 230 Ca -0.38 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.88 3h59 h GLU 230 Cb 1.28 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 3h59 h GLU 230 CO 0.48 0.42 -0.17 -0.97 -0.73 0.00 0.00 179.01 178.04 3h59 h ASN 231 N 0.66 -0.56 -0.85 1.04 -1.24 -1.98 -1.60 115.58 111.06 3h59 h ASN 231 Ca 0.31 0.13 0.08 0.00 0.71 0.00 0.00 56.30 57.53 3h59 h ASN 231 Cb 0.24 0.30 -0.07 0.00 0.73 0.00 0.00 38.32 39.52 3h59 h ASN 231 CO -0.21 -0.20 0.50 0.44 -1.29 0.00 0.00 177.43 176.67 3h59 h ASP 232 N -0.13 0.75 0.51 1.15 3.32 -1.84 0.57 116.42 120.75 3h59 h ASP 232 Ca 0.16 0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.02 3h59 h ASP 232 Cb 0.37 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3h59 h ASP 232 CO -0.39 0.45 -1.01 0.40 -1.72 0.00 0.00 179.24 176.96 3h59 h ILE 233 N 0.87 1.46 -0.44 0.35 2.04 -1.14 -0.67 117.51 119.99 3h59 h ILE 233 Ca 0.39 -2.70 -0.12 0.00 1.00 0.00 0.00 64.86 63.44 3h59 h ILE 233 Cb 0.30 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 3h59 h ILE 233 CO -0.22 0.79 -0.19 0.03 0.00 0.00 0.00 178.15 178.56 3h59 h ARG 234 N 0.15 0.86 -0.81 2.37 3.08 -1.05 -2.29 114.38 116.70 3h59 h ARG 234 Ca -0.08 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 3h59 h ARG 234 Cb 1.68 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.64 3h59 h ARG 234 CO 0.17 0.98 0.44 0.28 -1.07 0.00 0.00 179.97 180.76 3h59 h VAL 235 N 0.76 1.24 -0.42 2.04 2.07 -0.69 -1.72 116.25 119.52 3h59 h VAL 235 Ca 0.11 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3h59 h VAL 235 Cb 0.72 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3h59 h VAL 235 CO 0.06 0.27 0.20 -0.33 0.02 0.00 0.00 177.57 177.79 3h59 h GLU 236 N 1.13 0.40 -0.52 1.57 5.08 -0.98 -1.81 114.58 119.44 3h59 h GLU 236 Ca 0.28 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3h59 h GLU 236 Cb 0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3h59 h GLU 236 CO -0.04 0.26 0.28 1.49 -1.00 0.00 0.00 179.01 180.00 3h59 h GLU 237 N 0.41 0.71 -0.21 2.33 4.22 -1.07 -1.59 114.58 119.39 3h59 h GLU 237 Ca 0.18 -0.07 -0.10 0.00 0.08 0.00 0.00 59.36 59.45 3h59 h GLU 237 Cb 0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3h59 h GLU 237 CO -0.14 0.53 -0.30 0.66 -2.18 0.00 0.00 179.01 177.58 3h59 h SER 238 N 0.72 0.42 -0.03 1.04 4.64 -0.73 -0.73 113.55 118.88 3h59 h SER 238 Ca 0.19 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3h59 h SER 238 Cb 0.03 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3h59 h SER 238 CO -0.03 0.70 -0.00 0.40 -0.87 0.00 0.00 176.83 177.03 3h59 h ILE 239 N 0.36 1.27 -0.93 0.95 2.04 -0.87 -2.89 117.51 117.43 3h59 h ILE 239 Ca 0.05 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 65.21 3h59 h ILE 239 Cb 0.71 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 3h59 h ILE 239 CO 0.05 0.21 0.60 1.88 0.00 0.00 0.00 178.15 180.90 3h59 h TYR 240 N -0.26 1.01 0.00 1.37 0.05 -1.00 -1.65 116.97 116.48 3h59 h TYR 240 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3h59 h TYR 240 Cb 0.35 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3h59 h TYR 240 CO 0.04 0.44 0.00 1.04 -1.05 0.00 0.00 178.16 178.63 3h59 n GLN 241 N -4.56 0.00 0.16 4.88 1.13 -0.30 -2.69 117.38 116.00 3h59 n GLN 241 Ca 0.17 0.10 0.02 0.00 -1.94 0.00 0.00 57.00 55.35 3h59 n GLN 241 Cb 0.33 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.44 3h59 n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h59 s ASP 244 N -1.88 6.41 0.15 0.00 -1.08 0.12 -4.98 116.67 115.41 3h59 s ASP 244 Ca 0.68 -0.08 0.06 0.00 -0.52 0.00 0.00 52.55 52.69 3h59 s ASP 244 Cb -0.30 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.63 3h59 s ASP 244 CO 0.56 -1.34 -0.13 -0.76 0.52 0.00 0.00 175.17 174.02 3h59 s LEU 245 N 4.45 2.48 0.40 -1.34 1.43 -1.26 -1.51 118.68 123.33 3h59 s LEU 245 Ca 0.37 -0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 52.29 3h59 s LEU 245 Cb -0.10 -0.51 -0.09 0.00 0.03 0.00 0.00 46.19 45.53 3h59 s LEU 245 CO 0.23 -0.21 1.26 0.00 0.23 0.00 0.00 176.35 177.86 3h59 s ALA 246 N -2.70 3.24 0.36 4.21 0.00 -1.26 -4.85 121.76 120.75 3h59 s ALA 246 Ca 0.14 1.16 0.10 0.00 0.00 0.00 0.00 51.96 53.37 3h59 s ALA 246 Cb -0.02 -3.46 0.86 0.00 0.00 0.00 0.00 23.12 20.51 3h59 s ALA 246 CO 0.03 -0.74 1.87 -1.35 0.00 0.00 0.00 175.76 175.57 3h59 h PRO 247 N 2.70 0.62 -0.84 0.00 0.11 -2.00 -0.39 132.00 132.20 3h59 h PRO 247 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3h59 h PRO 247 Cb 1.24 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3h59 h PRO 247 CO 0.63 0.41 0.41 1.49 -0.21 0.00 0.00 178.00 180.73 3h59 h GLU 248 N 0.64 1.20 -0.48 1.05 4.81 -2.00 -1.85 114.58 117.95 3h59 h GLU 248 Ca 0.45 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3h59 h GLU 248 Cb 0.79 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3h59 h GLU 248 CO -0.21 0.91 0.18 0.00 -0.73 0.00 0.00 179.01 179.17 3h59 h ALA 249 N 1.22 0.63 -0.45 2.92 0.00 -1.48 -2.38 119.26 119.72 3h59 h ALA 249 Ca 0.29 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3h59 h ALA 249 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3h59 h ALA 249 CO -0.04 0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.67 3h59 h ARG 250 N 0.64 0.39 -0.53 0.00 3.08 -0.95 -1.28 114.38 115.73 3h59 h ARG 250 Ca 0.16 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3h59 h ARG 250 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3h59 h ARG 250 CO -0.01 0.26 0.09 0.37 -1.07 0.00 0.00 179.97 179.61 3h59 h GLN 251 N 0.40 0.88 -0.67 0.04 5.75 -1.28 -1.73 115.11 118.51 3h59 h GLN 251 Ca 0.20 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3h59 h GLN 251 Cb 0.15 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3h59 h GLN 251 CO -0.17 0.86 0.37 0.00 -2.65 0.00 0.00 178.83 177.24 3h59 h ALA 252 N 0.99 0.86 -0.64 3.38 0.00 -1.23 -1.26 119.26 121.36 3h59 h ALA 252 Ca 0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3h59 h ALA 252 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h59 h ALA 252 CO 0.01 0.37 0.06 0.82 0.00 0.00 0.00 179.25 180.51 3h59 h ILE 253 N 0.92 1.26 -0.20 0.00 2.04 -1.08 0.13 117.51 120.57 3h59 h ILE 253 Ca 0.24 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3h59 h ILE 253 Cb 0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3h59 h ILE 253 CO -0.04 0.40 0.05 0.50 0.00 0.00 0.00 178.15 179.06 3h59 h LYS 254 N 0.99 0.32 0.38 2.37 3.64 -1.16 -1.26 116.57 121.86 3h59 h LYS 254 Ca 0.19 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3h59 h LYS 254 Cb 0.49 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3h59 h LYS 254 CO 0.02 0.45 -0.18 1.03 -2.27 0.00 0.00 179.45 178.49 3h59 h SER 255 N 0.14 -0.43 -1.01 4.20 0.87 -1.12 -1.55 113.55 114.65 3h59 h SER 255 Ca 0.06 -0.05 0.16 0.00 -1.23 0.00 0.00 61.79 60.74 3h59 h SER 255 Cb 0.27 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.24 3h59 h SER 255 CO 0.00 -0.22 0.62 -0.07 -0.53 0.00 0.00 176.83 176.63 3h59 h LEU 256 N -0.62 0.84 -0.11 2.23 3.38 -1.02 0.62 115.31 120.63 3h59 h LEU 256 Ca -0.05 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3h59 h LEU 256 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3h59 h LEU 256 CO 0.09 0.36 0.03 0.74 0.09 0.00 0.00 178.44 179.74 3h59 h THR 257 N 0.85 1.20 -0.34 0.22 2.02 -0.91 0.25 112.91 116.20 3h59 h THR 257 Ca 0.55 -0.62 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 3h59 h THR 257 Cb 0.75 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3h59 h THR 257 CO -0.34 0.18 -0.31 -0.33 0.37 0.00 0.00 175.52 175.10 3h59 h GLU 258 N -0.03 0.73 0.00 6.66 4.39 -0.76 -1.47 114.58 124.10 3h59 h GLU 258 Ca 0.03 -0.33 -0.21 0.00 0.34 0.00 0.00 59.36 59.20 3h59 h GLU 258 Cb 0.26 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 3h59 h GLU 258 CO 0.00 0.94 -1.93 0.54 -1.16 0.00 0.00 179.01 177.40 3h59 n ARG 259 N -4.08 0.66 0.06 2.33 1.74 0.16 -4.67 116.66 112.86 3h59 n ARG 259 Ca -0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3h59 n ARG 259 Cb 0.48 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3h59 n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h59 n LEU 260 N -2.68 0.62 -0.22 0.55 7.94 -0.23 0.11 117.00 123.09 3h59 n LEU 260 Ca -0.17 0.19 -0.08 0.00 -1.11 0.00 0.00 56.01 54.84 3h59 n LEU 260 Cb 0.90 -0.11 0.05 0.00 0.53 0.00 0.00 43.42 44.79 3h59 n LEU 260 CO 0.44 -0.65 0.86 1.88 -1.11 0.00 0.00 177.39 178.81 3h59 h TYR 261 N 0.00 1.16 -0.52 1.96 0.05 -0.99 -2.99 116.97 115.64 3h59 h TYR 261 Ca 0.00 -0.18 -0.10 0.00 0.05 0.00 0.00 58.73 58.50 3h59 h TYR 261 Cb 0.14 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 3h59 h TYR 261 CO 0.00 0.99 -0.07 0.82 -1.05 0.00 0.00 178.16 178.86 3h59 h ILE 262 N 0.99 1.26 0.00 -2.88 2.04 -1.52 -3.42 117.51 113.99 3h59 h ILE 262 Ca 0.19 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3h59 h ILE 262 Cb 0.50 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3h59 h ILE 262 CO 0.02 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.20 3h59 n GLY 263 N -0.42 -1.57 0.00 5.37 0.00 -1.13 -3.96 105.19 103.49 3h59 n GLY 263 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3h59 n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h59 n GLY 264 N -0.19 2.40 3.76 -0.02 0.00 -0.79 -4.08 105.19 106.27 3h59 n GLY 264 Ca 0.00 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3h59 n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h59 s PRO 265 N -2.02 4.54 -0.26 1.61 0.04 -1.26 -1.29 135.00 136.36 3h59 s PRO 265 Ca 0.00 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 3h59 s PRO 265 Cb 0.00 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3h59 s PRO 265 CO 0.00 0.06 0.10 -0.51 0.04 0.00 0.00 177.00 176.69 3h59 s LEU 266 N -1.26 3.59 -0.13 -3.56 1.43 -0.25 -2.34 118.68 116.16 3h59 s LEU 266 Ca 0.47 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3h59 s LEU 266 Cb -0.34 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 3h59 s LEU 266 CO 0.43 -0.04 -0.18 -0.89 0.23 0.00 0.00 176.35 175.90 3h59 s THR 267 N 1.65 2.54 1.00 5.49 2.01 0.16 0.15 115.64 128.64 3h59 s THR 267 Ca 0.07 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 3h59 s THR 267 Cb -0.15 -2.03 0.20 0.00 0.01 0.00 0.00 72.50 70.52 3h59 s THR 267 CO 0.05 0.54 1.18 0.54 -0.69 0.00 0.00 174.62 176.25 3h59 s ASN 268 N 0.49 2.70 0.19 3.53 2.20 -0.37 -1.77 114.94 121.92 3h59 s ASN 268 Ca -0.12 0.67 0.17 0.00 -0.94 0.00 0.00 52.86 52.63 3h59 s ASN 268 Cb -0.16 -1.00 0.80 0.00 -2.00 0.00 0.00 41.25 38.89 3h59 s ASN 268 CO 0.05 -3.03 1.51 -1.54 -2.94 0.00 0.00 177.10 171.15 3h59 n SER 269 N -4.03 0.40 -1.00 3.54 3.41 -1.26 -1.51 113.62 113.16 3h59 n SER 269 Ca 0.11 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 3h59 n SER 269 Cb 0.59 -0.71 0.22 0.00 -0.26 0.00 0.00 64.21 64.05 3h59 n SER 269 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h59 n LYS 270 N -1.99 2.33 -0.70 4.33 5.02 -1.26 -4.97 118.16 120.92 3h59 n LYS 270 Ca 0.01 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 3h59 n LYS 270 Cb 0.10 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3h59 n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h59 n GLY 271 N 1.41 0.67 3.89 0.72 0.00 -0.57 -5.05 105.19 106.25 3h59 n GLY 271 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3h59 n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h59 s GLN 272 N -0.30 3.70 -0.29 1.61 -0.21 -1.26 -4.84 119.66 118.07 3h59 s GLN 272 Ca 0.00 0.07 -0.28 0.00 0.02 0.00 0.00 55.36 55.16 3h59 s GLN 272 Cb 0.00 -2.79 0.01 0.00 1.00 0.00 0.00 33.01 31.23 3h59 s GLN 272 CO 0.00 0.42 1.02 1.21 -2.12 0.00 0.00 175.29 175.83 3h59 s ASN 273 N -2.34 6.94 0.15 5.90 3.04 -1.26 -1.23 114.94 126.14 3h59 s ASN 273 Ca 0.42 1.09 0.20 0.00 0.04 0.00 0.00 52.86 54.62 3h59 s ASN 273 Cb -0.12 -2.52 -0.05 0.00 -1.54 0.00 0.00 41.25 37.02 3h59 s ASN 273 CO 0.23 -0.78 0.97 0.00 -3.04 0.00 0.00 177.10 174.48 3h59 n GLY 275 N 1.27 0.20 3.01 0.00 0.00 -1.18 -1.21 105.19 107.29 3h59 n GLY 275 Ca -0.04 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 3h59 n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h59 s TYR 276 N -4.00 -0.19 -0.13 1.61 5.04 0.97 -1.09 117.35 119.56 3h59 s TYR 276 Ca 0.00 0.47 -0.06 0.00 -2.44 0.00 0.00 57.07 55.05 3h59 s TYR 276 Cb 0.00 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.29 3h59 s TYR 276 CO 0.00 -0.12 0.08 0.50 -1.34 0.00 0.00 175.55 174.67 3h59 s ARG 277 N 0.50 3.48 -0.13 4.97 3.52 -0.41 -0.80 118.95 130.08 3h59 s ARG 277 Ca -0.03 -0.27 0.18 0.00 -0.13 0.00 0.00 55.73 55.47 3h59 s ARG 277 Cb -0.05 -3.09 0.43 0.00 -1.56 0.00 0.00 34.95 30.69 3h59 s ARG 277 CO -0.02 0.60 1.19 0.54 -0.81 0.00 0.00 175.30 176.79 3h59 n ARG 278 N 2.51 1.05 -2.07 5.12 1.74 0.21 -1.88 116.66 123.33 3h59 n ARG 278 Ca -0.18 -2.81 -0.01 0.00 -0.77 0.00 0.00 57.85 54.08 3h59 n ARG 278 Cb 0.54 -0.95 -0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3h59 n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h59 n ARG 280 N -0.02 2.70 -2.73 0.00 3.00 -0.91 -4.64 116.66 114.07 3h59 n ARG 280 Ca 0.00 0.97 -0.42 0.00 -0.00 0.00 0.00 57.85 58.40 3h59 n ARG 280 Cb 0.02 -2.79 -0.03 0.00 0.00 0.00 0.00 32.46 29.66 3h59 n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h59 s ALA 281 N 0.71 3.18 -0.27 5.13 0.00 -1.26 -4.77 121.76 124.48 3h59 s ALA 281 Ca 0.71 0.53 0.28 0.00 0.00 0.00 0.00 51.96 53.48 3h59 s ALA 281 Cb -0.51 -3.31 0.98 0.00 0.00 0.00 0.00 23.12 20.27 3h59 s ALA 281 CO 0.39 -0.19 1.81 0.66 0.00 0.00 0.00 175.76 178.43 3h59 h SER 282 N 6.59 0.00 -1.06 0.00 4.64 -1.91 -3.35 113.55 118.47 3h59 h SER 282 Ca -0.41 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.35 3h59 h SER 282 Cb 1.22 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.88 3h59 h SER 282 CO 0.74 0.00 -0.80 0.61 -0.87 0.00 0.00 176.83 176.52 3h59 n GLY 283 N 0.43 6.04 3.50 -0.77 0.00 0.12 -4.02 105.19 110.49 3h59 n GLY 283 Ca 0.02 -2.64 -0.24 0.00 0.00 0.00 0.00 46.02 43.15 3h59 n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h59 s VAL 284 N -4.94 2.21 0.35 1.61 -7.23 -1.19 -4.32 120.40 106.90 3h59 s VAL 284 Ca 0.49 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3h59 s VAL 284 Cb 0.40 -2.49 0.23 0.00 0.56 0.00 0.00 36.38 35.09 3h59 s VAL 284 CO -0.06 -0.29 1.97 0.25 -0.31 0.00 0.00 175.10 176.66 3h59 h LEU 285 N 2.15 0.67 -0.87 1.32 5.85 -1.80 -2.56 115.31 120.08 3h59 h LEU 285 Ca -0.41 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3h59 h LEU 285 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3h59 h LEU 285 CO 0.67 0.54 0.00 0.35 -0.34 0.00 0.00 178.44 179.66 3h59 n THR 286 N -4.40 0.21 -0.10 1.05 -2.24 -1.26 -4.29 114.28 103.25 3h59 n THR 286 Ca 0.05 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 3h59 n THR 286 Cb 0.10 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.53 3h59 n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h59 h THR 287 N 1.63 0.95 0.41 4.28 2.02 -1.70 0.12 112.91 120.62 3h59 h THR 287 Ca 0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3h59 h THR 287 Cb 0.36 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3h59 h THR 287 CO 0.00 0.06 -0.20 -1.28 0.37 0.00 0.00 175.52 174.47 3h59 h SER 288 N 0.32 -0.47 -0.73 4.18 0.87 -1.75 -1.49 113.55 114.48 3h59 h SER 288 Ca 0.15 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3h59 h SER 288 Cb 0.09 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 3h59 h SER 288 CO -0.12 -0.06 0.45 0.00 -0.53 0.00 0.00 176.83 176.57 3h59 h GLY 290 N 0.87 0.39 1.33 0.00 0.00 -0.80 -1.04 103.07 103.81 3h59 h GLY 290 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3h59 h GLY 290 CO -0.13 0.21 0.14 3.43 0.00 0.00 0.00 176.54 180.19 3h59 h ASN 291 N 0.21 0.78 -0.10 0.19 2.35 -1.10 -0.89 115.58 117.03 3h59 h ASN 291 Ca 0.08 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3h59 h ASN 291 Cb 0.22 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3h59 h ASN 291 CO -0.00 0.76 -0.08 0.74 -1.65 0.00 0.00 177.43 177.20 3h59 h THR 292 N 0.81 1.34 -0.23 2.81 2.02 -0.96 0.49 112.91 119.19 3h59 h THR 292 Ca 0.18 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.19 3h59 h THR 292 Cb 0.28 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3h59 h THR 292 CO -0.00 0.33 0.13 -0.07 0.37 0.00 0.00 175.52 176.28 3h59 h LEU 293 N -0.15 0.22 -0.31 2.58 3.38 -1.17 -1.34 115.31 118.50 3h59 h LEU 293 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3h59 h LEU 293 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3h59 h LEU 293 CO 0.02 0.16 -0.16 0.74 0.09 0.00 0.00 178.44 179.29 3h59 h THR 294 N 0.28 1.29 -0.50 0.22 2.02 -1.11 -0.20 112.91 114.90 3h59 h THR 294 Ca 0.09 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3h59 h THR 294 Cb -0.01 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3h59 h THR 294 CO -0.04 0.41 0.32 0.00 0.37 0.00 0.00 175.52 176.58 3h59 h TYR 296 N 0.68 0.40 0.20 0.00 5.03 -0.99 0.48 116.97 122.77 3h59 h TYR 296 Ca 0.18 -0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.46 3h59 h TYR 296 Cb -0.05 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 3h59 h TYR 296 CO -0.03 0.44 -0.31 1.25 -1.32 0.00 0.00 178.16 178.19 3h59 h LEU 297 N 0.23 -0.87 -0.56 2.82 5.85 -0.99 0.13 115.31 121.92 3h59 h LEU 297 Ca 0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3h59 h LEU 297 Cb 0.23 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3h59 h LEU 297 CO -0.00 -0.42 0.34 0.11 -0.34 0.00 0.00 178.44 178.13 3h59 h LYS 298 N -0.58 0.75 -0.39 1.25 1.57 -1.30 -2.21 116.57 115.66 3h59 h LYS 298 Ca 0.01 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3h59 h LYS 298 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3h59 h LYS 298 CO -0.13 0.54 -0.28 0.00 -0.57 0.00 0.00 179.45 179.01 3h59 h ALA 299 N 1.17 0.56 -0.33 3.86 0.00 -0.86 -0.62 119.26 123.04 3h59 h ALA 299 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3h59 h ALA 299 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h59 h ALA 299 CO -0.04 0.59 0.16 0.77 0.00 0.00 0.00 179.25 180.73 3h59 h SER 300 N 0.70 0.43 -0.42 0.00 0.02 -0.95 0.15 113.55 113.47 3h59 h SER 300 Ca 0.08 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3h59 h SER 300 Cb 0.86 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 3h59 h SER 300 CO 0.08 0.44 0.20 0.00 -1.14 0.00 0.00 176.83 176.41 3h59 h ALA 301 N 1.01 0.55 0.00 3.77 0.00 -1.40 -2.55 119.26 120.64 3h59 h ALA 301 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h59 h ALA 301 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h59 h ALA 301 CO -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 179.25 179.26 3h59 h ALA 302 N 1.05 1.76 -0.30 0.00 0.00 -0.94 -1.88 119.26 118.94 3h59 h ALA 302 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3h59 h ALA 302 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h59 h ALA 302 CO -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 3h59 h ARG 304 N 0.33 0.74 -0.79 0.00 3.08 -1.14 -2.02 114.38 114.59 3h59 h ARG 304 Ca 0.08 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3h59 h ARG 304 Cb 0.48 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3h59 h ARG 304 CO 0.02 0.61 0.52 0.00 -1.07 0.00 0.00 179.97 180.04 3h59 h ALA 305 N 1.10 1.59 -0.00 0.04 0.00 -1.31 -2.41 119.26 118.25 3h59 h ALA 305 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h59 h ALA 305 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h59 h ALA 305 CO -0.02 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.34 3h59 n ALA 306 N -2.43 2.90 -3.59 0.00 0.00 -0.80 -4.93 120.51 111.66 3h59 n ALA 306 Ca 0.11 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 3h59 n ALA 306 Cb 0.17 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.40 3h59 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h59 n LYS 307 N -1.12 -7.01 -2.27 0.00 5.02 -0.80 -4.79 118.16 107.18 3h59 n LYS 307 Ca 0.11 0.78 -0.39 0.00 -2.02 0.00 0.00 58.31 56.79 3h59 n LYS 307 Cb 0.31 -5.78 -0.02 0.00 -0.02 0.00 0.00 35.03 29.52 3h59 n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h59 s LEU 308 N -7.22 4.28 -0.19 -0.35 1.02 -0.98 -5.00 118.68 110.24 3h59 s LEU 308 Ca 0.57 2.41 -0.08 0.00 0.02 0.00 0.00 54.13 57.05 3h59 s LEU 308 Cb -0.26 -3.90 -0.04 0.00 0.02 0.00 0.00 46.19 42.01 3h59 s LEU 308 CO 0.70 -0.59 0.08 -1.10 0.02 0.00 0.00 176.35 175.47 3h59 s GLN 309 N -2.09 4.05 -1.21 1.70 -1.52 -1.26 -4.55 119.66 114.78 3h59 s GLN 309 Ca 0.54 -0.30 -0.12 0.00 -1.95 0.00 0.00 55.36 53.53 3h59 s GLN 309 Cb -0.33 -3.28 -0.01 0.00 -0.22 0.00 0.00 33.01 29.17 3h59 s GLN 309 CO 0.42 0.28 0.72 -3.47 -0.25 0.00 0.00 175.29 172.99 3h59 n ASP 310 N 3.53 -3.75 -4.62 5.90 -0.08 -1.26 0.50 116.55 116.77 3h59 n ASP 310 Ca -0.16 -0.95 -0.42 0.00 -1.51 0.00 0.00 54.79 51.74 3h59 n ASP 310 Cb 0.52 -3.60 -0.04 0.00 2.34 0.00 0.00 41.12 40.34 3h59 n ASP 310 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h59 s THR 312 N 3.15 3.57 0.08 0.00 2.01 0.95 -4.99 115.64 120.41 3h59 s THR 312 Ca 0.36 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.95 3h59 s THR 312 Cb -0.14 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3h59 s THR 312 CO 0.13 0.49 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.47 3h59 s MET 313 N 0.50 2.40 -0.10 4.92 -1.94 -1.26 -0.65 119.30 123.16 3h59 s MET 313 Ca -0.05 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 3h59 s MET 313 Cb -0.15 -2.45 0.03 0.00 2.01 0.00 0.00 34.83 34.27 3h59 s MET 313 CO 0.03 0.54 -0.03 -1.17 -0.01 0.00 0.00 175.02 174.38 3h59 s LEU 314 N -2.11 0.97 -0.09 -0.03 2.96 0.35 -4.30 118.68 116.42 3h59 s LEU 314 Ca 0.23 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3h59 s LEU 314 Cb -0.11 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 45.93 3h59 s LEU 314 CO 0.15 -0.17 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.24 3h59 s VAL 315 N 1.82 0.99 -0.42 1.68 1.01 -0.51 -2.02 120.40 122.95 3h59 s VAL 315 Ca 0.04 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3h59 s VAL 315 Cb -0.13 -0.99 0.12 0.00 0.00 0.00 0.00 36.38 35.38 3h59 s VAL 315 CO -0.07 0.35 0.16 0.20 0.00 0.00 0.00 175.10 175.74 3h59 s ASN 316 N 1.39 4.41 1.82 3.32 -0.87 -0.75 -1.57 114.94 122.69 3h59 s ASN 316 Ca -0.01 -2.51 0.00 0.00 -1.57 0.00 0.00 52.86 48.76 3h59 s ASN 316 Cb -0.13 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.58 3h59 s ASN 316 CO -0.04 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.79 3h59 n GLY 317 N 3.76 3.91 0.00 0.66 0.00 -1.26 -1.20 105.19 111.07 3h59 n GLY 317 Ca 0.04 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.28 3h59 n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h59 n ASP 318 N 6.74 0.00 -4.62 1.61 5.75 -1.26 -3.83 116.55 120.95 3h59 n ASP 318 Ca 0.00 -0.47 -0.42 0.00 -0.01 0.00 0.00 54.79 53.89 3h59 n ASP 318 Cb 0.00 -0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 3h59 n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h59 s ASP 319 N -2.35 6.65 -0.10 -1.12 -1.08 -0.34 -4.69 116.67 113.64 3h59 s ASP 319 Ca 0.36 0.68 0.04 0.00 -0.52 0.00 0.00 52.55 53.10 3h59 s ASP 319 Cb 0.21 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 3h59 s ASP 319 CO 0.43 -0.56 -0.21 -0.22 0.52 0.00 0.00 175.17 175.12 3h59 s LEU 320 N 2.85 2.00 0.04 -1.34 2.96 -1.26 -1.81 118.68 122.12 3h59 s LEU 320 Ca 0.31 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3h59 s LEU 320 Cb -0.14 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3h59 s LEU 320 CO 0.11 0.13 -0.20 0.68 -1.32 0.00 0.00 176.35 175.75 3h59 s VAL 321 N 0.44 1.62 -0.06 1.68 -7.23 -0.86 -1.44 120.40 114.55 3h59 s VAL 321 Ca -0.17 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 3h59 s VAL 321 Cb -0.17 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.36 3h59 s VAL 321 CO 0.07 0.18 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.20 3h59 s VAL 322 N -0.81 1.39 -0.08 1.32 1.01 -0.69 -0.50 120.40 122.04 3h59 s VAL 322 Ca 0.07 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3h59 s VAL 322 Cb -0.09 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3h59 s VAL 322 CO 0.02 0.41 -0.23 -0.63 0.00 0.00 0.00 175.10 174.67 3h59 s ILE 323 N 0.41 2.21 0.25 2.22 1.01 0.18 -1.43 121.20 126.04 3h59 s ILE 323 Ca -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3h59 s ILE 323 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.49 3h59 s ILE 323 CO 0.04 0.56 0.34 0.00 0.00 0.00 0.00 174.94 175.88 3h59 s GLU 325 N -2.62 4.38 0.52 0.00 0.41 0.18 -1.30 118.70 120.27 3h59 s GLU 325 Ca 0.22 1.15 -0.21 0.00 -0.41 0.00 0.00 54.97 55.71 3h59 s GLU 325 Cb -0.00 -3.53 -0.06 0.00 -1.78 0.00 0.00 34.13 28.75 3h59 s GLU 325 CO 0.16 -0.24 1.18 0.45 -0.49 0.00 0.00 175.26 176.32 3h59 s SER 326 N 1.07 5.76 -0.06 -0.19 0.15 0.33 -4.44 113.70 116.32 3h59 s SER 326 Ca 0.42 2.33 0.09 0.00 0.70 0.00 0.00 55.95 59.50 3h59 s SER 326 Cb -0.18 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.68 3h59 s SER 326 CO 0.16 -1.20 1.04 0.00 1.20 0.00 0.00 173.24 174.45 3h59 n ALA 327 N -0.98 2.06 0.00 5.45 0.00 -1.26 -4.86 120.51 120.91 3h59 n ALA 327 Ca 0.10 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.77 3h59 n ALA 327 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3h59 n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h59 n GLY 328 N -0.88 2.68 0.20 0.00 0.00 -1.26 -4.62 105.19 101.30 3h59 n GLY 328 Ca 0.08 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.28 3h59 n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h59 h THR 329 N 0.00 1.03 0.21 2.61 1.35 -1.99 -2.11 112.91 114.01 3h59 h THR 329 Ca 0.00 -1.31 -0.33 0.00 -0.55 0.00 0.00 66.41 64.22 3h59 h THR 329 Cb 0.00 1.75 0.02 0.00 -1.73 0.00 0.00 68.15 68.20 3h59 h THR 329 CO 0.00 0.35 -1.52 -0.61 -0.25 0.00 0.00 175.52 173.48 3h59 h GLN 330 N 0.00 0.44 0.00 4.72 4.15 -2.00 -2.87 115.11 119.55 3h59 h GLN 330 Ca -0.00 -0.75 -0.15 0.00 0.77 0.00 0.00 58.65 58.52 3h59 h GLN 330 Cb 0.73 0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 3h59 h GLN 330 CO 0.05 1.35 -0.71 1.49 -1.93 0.00 0.00 178.83 179.08 3h59 h GLU 331 N 0.12 0.00 -0.44 1.69 4.57 -1.81 -2.61 114.58 116.10 3h59 h GLU 331 Ca -0.26 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3h59 h GLU 331 Cb 2.11 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.68 3h59 h GLU 331 CO 0.23 0.71 0.19 -0.44 -1.18 0.00 0.00 179.01 178.51 3h59 h ASP 332 N 0.00 0.61 -0.94 1.04 3.32 -1.45 0.15 116.42 119.15 3h59 h ASP 332 Ca -0.01 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3h59 h ASP 332 Cb 1.27 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 3h59 h ASP 332 CO 0.09 0.60 0.56 0.00 -1.72 0.00 0.00 179.24 178.77 3h59 h ALA 333 N 1.03 1.20 -0.31 3.45 0.00 -1.47 -1.12 119.26 122.04 3h59 h ALA 333 Ca 0.15 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3h59 h ALA 333 Cb 0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3h59 h ALA 333 CO -0.01 0.66 -0.50 0.00 0.00 0.00 0.00 179.25 179.40 3h59 h ALA 334 N 1.31 0.48 -0.71 0.00 0.00 -1.30 -2.73 119.26 116.31 3h59 h ALA 334 Ca 0.34 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h59 h ALA 334 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3h59 h ALA 334 CO -0.06 0.67 0.47 0.77 0.00 0.00 0.00 179.25 181.09 3h59 h SER 335 N 0.68 0.82 0.32 0.00 0.02 -0.39 -2.49 113.55 112.52 3h59 h SER 335 Ca 0.02 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3h59 h SER 335 Cb 1.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3h59 h SER 335 CO 0.12 0.60 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.09 3h59 h LEU 336 N 0.97 0.00 -0.37 5.07 3.38 -1.18 -0.66 115.31 122.51 3h59 h LEU 336 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3h59 h LEU 336 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3h59 h LEU 336 CO -0.06 0.25 0.03 0.03 0.09 0.00 0.00 178.44 178.78 3h59 h ARG 337 N 0.00 0.63 -0.36 1.13 3.08 -1.16 -1.72 114.38 115.99 3h59 h ARG 337 Ca -0.00 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3h59 h ARG 337 Cb 0.47 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3h59 h ARG 337 CO 0.03 0.72 0.16 0.28 -1.07 0.00 0.00 179.97 180.09 3h59 h VAL 338 N 0.46 1.17 -0.29 2.04 2.07 -0.95 -0.64 116.25 120.12 3h59 h VAL 338 Ca 0.11 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3h59 h VAL 338 Cb 0.41 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3h59 h VAL 338 CO 0.01 0.19 -0.10 0.15 0.02 0.00 0.00 177.57 177.83 3h59 h PHE 339 N 0.44 -0.24 -0.69 1.57 3.57 -1.16 -0.30 116.94 120.13 3h59 h PHE 339 Ca 0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3h59 h PHE 339 Cb 0.14 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3h59 h PHE 339 CO -0.01 -0.17 0.23 1.15 -2.23 0.00 0.00 178.31 177.28 3h59 h THR 340 N -0.05 1.25 -0.63 4.41 2.02 -1.01 -0.92 112.91 117.98 3h59 h THR 340 Ca 0.14 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 3h59 h THR 340 Cb 0.27 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3h59 h THR 340 CO -0.32 0.33 0.21 -0.33 0.37 0.00 0.00 175.52 175.77 3h59 h GLU 341 N 1.01 0.97 0.56 6.66 5.08 -0.81 -0.99 114.58 127.06 3h59 h GLU 341 Ca 0.23 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3h59 h GLU 341 Cb 0.26 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3h59 h GLU 341 CO -0.01 0.85 -0.27 0.00 -1.00 0.00 0.00 179.01 178.57 3h59 h ALA 342 N 1.07 -0.75 -0.80 3.43 0.00 -0.72 -1.37 119.26 120.12 3h59 h ALA 342 Ca 0.20 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.11 3h59 h ALA 342 Cb 0.27 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 3h59 h ALA 342 CO -0.01 -0.89 0.26 0.52 0.00 0.00 0.00 179.25 179.13 3h59 h MET 343 N -0.83 0.31 -0.20 0.00 2.86 -1.18 -0.92 114.93 114.98 3h59 h MET 343 Ca -0.08 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3h59 h MET 343 Cb 0.61 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3h59 h MET 343 CO 0.13 0.21 0.10 1.15 1.06 0.00 0.00 176.91 179.56 3h59 h THR 344 N 0.32 1.11 -0.31 2.22 2.02 -1.00 0.58 112.91 117.85 3h59 h THR 344 Ca 0.47 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.39 3h59 h THR 344 Cb 0.83 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3h59 h THR 344 CO -0.52 0.11 0.21 0.03 0.37 0.00 0.00 175.52 175.73 3h59 h ARG 345 N 0.21 0.15 -0.06 6.66 3.08 -0.48 -1.15 114.38 122.79 3h59 h ARG 345 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3h59 h ARG 345 Cb 0.08 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3h59 h ARG 345 CO -0.01 0.10 0.00 0.66 -1.07 0.00 0.00 179.97 179.65 3h59 n TYR 346 N -4.47 0.07 -2.48 3.04 4.01 -0.42 -0.83 117.16 116.08 3h59 n TYR 346 Ca 0.04 -0.04 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 3h59 n TYR 346 Cb 0.28 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 3h59 n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h59 n SER 347 N -0.42 -2.03 -2.91 7.72 2.88 -0.43 -4.91 113.62 113.52 3h59 n SER 347 Ca 0.11 -0.21 -0.13 0.00 -1.33 0.00 0.00 58.87 57.32 3h59 n SER 347 Cb 0.12 -2.08 0.04 0.00 -0.75 0.00 0.00 64.21 61.54 3h59 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h59 n ALA 348 N -2.07 0.25 -1.60 -1.46 0.00 0.14 -4.63 120.51 111.14 3h59 n ALA 348 Ca -0.10 -2.20 -0.32 0.00 0.00 0.00 0.00 53.44 50.83 3h59 n ALA 348 Cb 0.56 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.96 3h59 n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h59 s PRO 349 N -0.67 3.09 0.61 0.00 0.04 -1.26 -4.04 135.00 132.77 3h59 s PRO 349 Ca 0.29 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 3h59 s PRO 349 Cb 0.30 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 3h59 s PRO 349 CO -0.08 -0.99 0.99 -1.25 0.04 0.00 0.00 177.00 175.72 3h59 s PRO 350 N -4.50 3.41 0.00 0.56 0.04 -1.26 -1.42 135.00 131.83 3h59 s PRO 350 Ca 0.61 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3h59 s PRO 350 Cb -0.15 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3h59 s PRO 350 CO 0.45 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3h59 n GLY 351 N -2.71 0.68 3.70 0.56 0.00 -0.37 -4.33 105.19 102.71 3h59 n GLY 351 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3h59 n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h59 s ASP 352 N -1.30 7.07 0.41 1.61 1.01 -1.26 -5.01 116.67 119.20 3h59 s ASP 352 Ca 0.00 1.89 -0.26 0.00 0.71 0.00 0.00 52.55 54.89 3h59 s ASP 352 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 3h59 s ASP 352 CO 0.00 -0.53 1.29 -2.84 0.21 0.00 0.00 175.17 173.30 3h59 s PRO 353 N 1.71 3.97 0.53 8.23 0.02 -1.26 -4.47 135.00 143.73 3h59 s PRO 353 Ca 0.57 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 63.50 3h59 s PRO 353 Cb -0.26 -2.74 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 3h59 s PRO 353 CO 0.25 -0.48 1.17 -1.25 -0.33 0.00 0.00 177.00 176.37 3h59 s PRO 354 N -2.25 3.38 -0.04 5.54 0.04 -1.26 -5.03 135.00 135.39 3h59 s PRO 354 Ca 0.57 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.42 3h59 s PRO 354 Cb -0.37 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 3h59 s PRO 354 CO 0.48 -0.86 -0.22 -0.65 0.04 0.00 0.00 177.00 175.79 3h59 s GLN 355 N -3.08 2.05 0.31 4.56 -0.21 -1.26 -5.01 119.66 117.01 3h59 s GLN 355 Ca 0.71 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 55.01 3h59 s GLN 355 Cb -0.28 -1.84 -0.10 0.00 1.00 0.00 0.00 33.01 31.79 3h59 s GLN 355 CO 0.32 0.39 1.28 -1.25 -2.12 0.00 0.00 175.29 173.91 3h59 s PRO 356 N -0.27 4.40 0.00 2.91 0.04 -1.26 -4.49 135.00 136.33 3h59 s PRO 356 Ca 0.02 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.25 3h59 s PRO 356 Cb -0.11 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 3h59 s PRO 356 CO 0.01 -0.13 -0.17 -1.21 0.04 0.00 0.00 177.00 175.54 3h59 s GLU 357 N -1.54 1.30 -0.12 4.56 0.41 0.66 -4.97 118.70 119.00 3h59 s GLU 357 Ca 0.49 -0.67 0.15 0.00 -0.41 0.00 0.00 54.97 54.53 3h59 s GLU 357 Cb -0.38 -1.29 0.36 0.00 -1.78 0.00 0.00 34.13 31.04 3h59 s GLU 357 CO 0.49 0.35 1.25 0.66 -0.49 0.00 0.00 175.26 177.52 3h59 n TYR 358 N 2.44 0.42 -3.77 1.61 4.01 -1.26 -1.55 117.16 119.05 3h59 n TYR 358 Ca -0.15 -0.85 -0.25 0.00 -0.16 0.00 0.00 57.90 56.48 3h59 n TYR 358 Cb 0.54 -0.19 -0.17 0.00 -0.31 0.00 0.00 39.34 39.21 3h59 n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h59 s ASP 359 N -2.12 2.22 0.39 7.72 -1.08 -1.26 -5.01 116.67 117.53 3h59 s ASP 359 Ca 0.32 -0.42 0.14 0.00 -0.52 0.00 0.00 52.55 52.07 3h59 s ASP 359 Cb 0.26 -0.56 0.97 0.00 -1.46 0.00 0.00 42.92 42.13 3h59 s ASP 359 CO 0.06 -0.23 1.87 0.25 0.52 0.00 0.00 175.17 177.64 3h59 h LEU 360 N 8.27 0.50 0.00 -1.34 5.85 -1.96 -2.20 115.31 124.43 3h59 h LEU 360 Ca -0.19 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3h59 h LEU 360 Cb 1.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h59 h LEU 360 CO 0.31 0.23 0.00 -0.62 -0.34 0.00 0.00 178.44 178.02 3h59 n GLU 361 N -4.53 0.00 -0.12 1.25 1.02 -1.26 -2.40 120.64 114.60 3h59 n GLU 361 Ca 0.18 0.19 0.09 0.00 -0.02 0.00 0.00 57.16 57.60 3h59 n GLU 361 Cb 0.58 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.64 3h59 n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h59 n LEU 362 N -1.50 2.87 -4.67 -4.62 4.77 -0.83 -4.54 117.00 108.48 3h59 n LEU 362 Ca 0.04 -1.44 -0.39 0.00 -0.03 0.00 0.00 56.01 54.19 3h59 n LEU 362 Cb 0.21 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3h59 n LEU 362 CO 0.16 0.62 0.23 -0.63 -1.33 0.00 0.00 177.39 176.44 3h59 s ILE 363 N -1.24 5.12 -0.22 -0.08 1.01 -1.01 -5.07 121.20 119.71 3h59 s ILE 363 Ca 0.27 0.95 -0.09 0.00 0.00 0.00 0.00 60.65 61.78 3h59 s ILE 363 Cb 0.16 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3h59 s ILE 363 CO 0.23 0.19 0.10 -0.89 0.00 0.00 0.00 174.94 174.57 3h59 s THR 364 N 1.52 4.94 -0.08 2.92 2.01 -1.26 -4.25 115.64 121.44 3h59 s THR 364 Ca 0.24 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.21 3h59 s THR 364 Cb -0.15 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.11 3h59 s THR 364 CO 0.10 0.39 0.20 -0.94 -0.69 0.00 0.00 174.62 173.68 3h59 s SER 365 N 0.84 -0.21 -1.44 3.53 1.04 -0.25 -4.71 113.70 112.51 3h59 s SER 365 Ca 0.05 0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 3h59 s SER 365 Cb -0.13 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.41 3h59 s SER 365 CO 0.02 -0.09 0.61 0.00 0.98 0.00 0.00 173.24 174.76 3h59 n SER 367 N -2.94 -5.37 -4.03 0.00 7.64 -1.26 -4.94 113.62 102.72 3h59 n SER 367 Ca -0.21 0.47 -0.11 0.00 1.01 0.00 0.00 58.87 60.03 3h59 n SER 367 Cb 0.64 -4.74 -0.11 0.00 -1.01 0.00 0.00 64.21 58.99 3h59 n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h59 s SER 368 N -2.68 0.61 0.15 6.43 0.01 -0.96 -4.65 113.70 112.61 3h59 s SER 368 Ca 0.00 -0.56 0.08 0.00 1.31 0.00 0.00 55.95 56.78 3h59 s SER 368 Cb 0.00 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 3h59 s SER 368 CO 0.00 -0.26 -0.17 0.54 0.41 0.00 0.00 173.24 173.75 3h59 s ASN 369 N -1.62 2.49 0.21 2.44 4.22 -0.23 -1.09 114.94 121.36 3h59 s ASN 369 Ca -0.11 -0.83 -0.30 0.00 -2.14 0.00 0.00 52.86 49.48 3h59 s ASN 369 Cb -0.09 -0.13 -0.08 0.00 1.28 0.00 0.00 41.25 42.22 3h59 s ASN 369 CO -0.01 -0.05 1.18 -0.69 -2.04 0.00 0.00 177.10 175.50 3h59 s VAL 370 N -1.97 3.51 0.34 3.54 1.01 -1.26 -1.04 120.40 124.52 3h59 s VAL 370 Ca 0.13 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.50 3h59 s VAL 370 Cb -0.06 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3h59 s VAL 370 CO 0.05 0.24 0.24 -0.55 0.00 0.00 0.00 175.10 175.08 3h59 s SER 371 N -0.09 1.78 -0.02 3.32 0.15 -0.32 -4.29 113.70 114.24 3h59 s SER 371 Ca 0.51 -1.72 0.03 0.00 0.70 0.00 0.00 55.95 55.48 3h59 s SER 371 Cb -0.33 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3h59 s SER 371 CO 0.38 -1.02 -0.12 0.54 1.20 0.00 0.00 173.24 174.22 3h59 s VAL 372 N -3.45 0.95 0.19 4.45 0.11 -1.26 -1.84 120.40 119.55 3h59 s VAL 372 Ca 0.37 -0.49 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3h59 s VAL 372 Cb 0.03 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 3h59 s VAL 372 CO 0.24 0.28 0.18 0.00 -3.33 0.00 0.00 175.10 172.47 3h59 n ALA 373 N 2.94 0.33 -2.62 1.54 0.00 -0.59 -3.24 120.51 118.87 3h59 n ALA 373 Ca -0.15 -1.10 -0.22 0.00 0.00 0.00 0.00 53.44 51.96 3h59 n ALA 373 Cb 0.55 0.89 -0.15 0.00 0.00 0.00 0.00 19.45 20.74 3h59 n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h59 s HIS 374 N -2.93 1.26 0.30 0.00 3.76 -0.48 0.22 115.29 117.41 3h59 s HIS 374 Ca 0.22 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 3h59 s HIS 374 Cb 0.01 -0.82 0.07 0.00 1.11 0.00 0.00 32.58 32.95 3h59 s HIS 374 CO 0.16 -0.03 0.41 -0.40 -0.85 0.00 0.00 174.74 174.02 3h59 n ASP 375 N 2.80 0.14 -0.32 1.40 5.75 -0.34 -1.53 116.55 124.45 3h59 n ASP 375 Ca -0.15 -1.22 0.09 0.00 -0.01 0.00 0.00 54.79 53.51 3h59 n ASP 375 Cb 0.55 -0.30 0.30 0.00 -1.03 0.00 0.00 41.12 40.64 3h59 n ASP 375 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h59 h ALA 376 N -1.55 1.66 -0.03 2.12 0.00 -1.91 -1.30 119.26 118.25 3h59 h ALA 376 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h59 h ALA 376 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h59 h ALA 376 CO 0.10 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 3h59 n SER 377 N -4.59 0.25 0.00 0.00 3.41 -1.26 -4.88 113.62 106.55 3h59 n SER 377 Ca 0.18 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 3h59 n SER 377 Cb 0.40 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3h59 n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h59 n GLY 378 N 0.79 0.67 3.74 5.00 0.00 -0.49 -5.03 105.19 109.87 3h59 n GLY 378 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h59 n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h59 s LYS 379 N -0.19 4.54 0.22 1.61 2.20 -1.26 -4.66 119.74 122.19 3h59 s LYS 379 Ca 0.00 1.81 -0.31 0.00 -0.36 0.00 0.00 55.97 57.11 3h59 s LYS 379 Cb 0.00 -3.25 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 3h59 s LYS 379 CO 0.00 -0.01 1.54 1.03 -0.36 0.00 0.00 175.35 177.54 3h59 s ARG 380 N -0.34 4.21 -0.06 4.03 0.52 -1.26 -1.20 118.95 124.86 3h59 s ARG 380 Ca 0.51 2.39 0.02 0.00 -0.52 0.00 0.00 55.73 58.13 3h59 s ARG 380 Cb -0.31 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.06 3h59 s ARG 380 CO 0.36 -0.55 -0.11 0.54 0.02 0.00 0.00 175.30 175.56 3h59 s VAL 381 N 0.54 1.04 0.20 3.52 0.11 0.13 -4.90 120.40 121.05 3h59 s VAL 381 Ca 0.65 -0.44 -0.16 0.00 -2.93 0.00 0.00 61.98 59.10 3h59 s VAL 381 Cb -0.44 -0.95 -0.08 0.00 -1.53 0.00 0.00 36.38 33.38 3h59 s VAL 381 CO 0.38 0.33 0.63 -0.31 -3.33 0.00 0.00 175.10 172.81 3h59 s TYR 382 N 0.59 3.58 0.09 1.54 2.02 -1.26 -1.54 117.35 122.37 3h59 s TYR 382 Ca -0.12 1.19 -0.20 0.00 -0.37 0.00 0.00 57.07 57.56 3h59 s TYR 382 Cb -0.14 -2.47 0.05 0.00 -0.40 0.00 0.00 41.96 38.99 3h59 s TYR 382 CO 0.03 0.35 0.49 1.52 -1.57 0.00 0.00 175.55 176.37 3h59 s TYR 383 N -1.57 -0.37 -0.03 2.71 1.13 -0.77 -4.98 117.35 113.47 3h59 s TYR 383 Ca 0.42 0.27 -0.13 0.00 -1.41 0.00 0.00 57.07 56.22 3h59 s TYR 383 Cb -0.15 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 3h59 s TYR 383 CO 0.20 -0.69 0.36 -0.51 -2.51 0.00 0.00 175.55 172.40 3h59 s LEU 384 N -2.33 4.44 0.00 -3.49 1.43 -1.26 -1.17 118.68 116.30 3h59 s LEU 384 Ca -0.02 0.85 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3h59 s LEU 384 Cb -0.00 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3h59 s LEU 384 CO -0.06 0.32 0.26 1.07 0.23 0.00 0.00 176.35 178.16 3h59 n THR 385 N 2.02 0.00 -3.87 5.49 5.66 -0.21 -4.76 114.28 118.61 3h59 n THR 385 Ca -0.15 -2.36 -0.09 0.00 -3.05 0.00 0.00 64.05 58.41 3h59 n THR 385 Cb 0.53 1.14 -0.04 0.00 -1.55 0.00 0.00 70.33 70.41 3h59 n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h59 s ARG 386 N -3.34 1.53 0.14 1.09 1.70 -1.26 -1.07 118.95 117.74 3h59 s ARG 386 Ca 0.37 -1.05 -0.31 0.00 -0.47 0.00 0.00 55.73 54.26 3h59 s ARG 386 Cb 0.02 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.81 3h59 s ARG 386 CO 0.26 -0.65 1.81 0.34 -1.08 0.00 0.00 175.30 175.97 3h59 s ASP 387 N -2.94 6.41 0.00 -2.89 -1.08 -1.26 -4.91 116.67 110.00 3h59 s ASP 387 Ca 0.15 2.79 0.21 0.00 -0.52 0.00 0.00 52.55 55.17 3h59 s ASP 387 Cb -0.02 -2.57 1.16 0.00 -1.46 0.00 0.00 42.92 40.03 3h59 s ASP 387 CO 0.04 -1.00 1.76 -0.81 0.52 0.00 0.00 175.17 175.68 3h59 n PRO 388 N 5.31 1.12 0.14 4.34 -0.05 -1.26 -4.37 135.00 140.23 3h59 n PRO 388 Ca 0.17 -0.18 -0.13 0.00 -0.05 0.00 0.00 63.50 63.31 3h59 n PRO 388 Cb 0.37 -1.34 -0.06 0.00 -0.05 0.00 0.00 33.50 32.43 3h59 n PRO 388 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3h59 h THR 389 N 0.38 0.52 -0.16 0.52 2.02 -1.94 -0.56 112.91 113.69 3h59 h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3h59 h THR 389 Cb 0.08 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3h59 h THR 389 CO 0.00 0.00 -0.07 0.74 0.37 0.00 0.00 175.52 176.56 3h59 h THR 390 N -0.44 1.31 -0.89 3.16 2.02 -1.96 -1.24 112.91 114.86 3h59 h THR 390 Ca 0.01 -1.10 0.18 0.00 0.77 0.00 0.00 66.41 66.28 3h59 h THR 390 Cb 0.43 1.70 -0.11 0.00 -1.74 0.00 0.00 68.15 68.43 3h59 h THR 390 CO -0.08 0.32 0.45 -0.65 0.37 0.00 0.00 175.52 175.93 3h59 h PRO 391 N 0.01 0.54 0.01 6.66 0.11 -1.81 -1.68 132.00 135.84 3h59 h PRO 391 Ca 0.04 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 3h59 h PRO 391 Cb 0.53 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3h59 h PRO 391 CO 0.02 0.36 -0.89 -0.07 -0.21 0.00 0.00 178.00 177.21 3h59 h LEU 392 N 0.56 0.06 -0.38 2.35 3.38 -0.85 -1.36 115.31 119.06 3h59 h LEU 392 Ca 0.52 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 3h59 h LEU 392 Cb 0.85 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3h59 h LEU 392 CO -0.43 0.92 0.04 0.00 0.09 0.00 0.00 178.44 179.06 3h59 h ALA 393 N 1.07 0.51 -0.29 1.53 0.00 -1.06 -1.56 119.26 119.46 3h59 h ALA 393 Ca -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3h59 h ALA 393 Cb 1.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3h59 h ALA 393 CO 0.12 0.24 -0.25 0.00 0.00 0.00 0.00 179.25 179.36 3h59 h ARG 394 N 0.49 0.56 -0.56 0.00 3.08 -1.21 -2.50 114.38 114.23 3h59 h ARG 394 Ca 0.11 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3h59 h ARG 394 Cb 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3h59 h ARG 394 CO 0.01 0.77 0.08 0.00 -1.07 0.00 0.00 179.97 179.76 3h59 h ALA 395 N 1.24 1.10 -0.41 0.04 0.00 -1.20 -1.13 119.26 118.89 3h59 h ALA 395 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3h59 h ALA 395 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3h59 h ALA 395 CO 0.05 0.59 0.18 0.00 0.00 0.00 0.00 179.25 180.07 3h59 h ALA 396 N 1.24 0.53 0.05 0.00 0.00 -1.00 0.03 119.26 120.11 3h59 h ALA 396 Ca 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h59 h ALA 396 Cb 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h59 h ALA 396 CO 0.01 0.11 -0.03 2.35 0.00 0.00 0.00 179.25 181.69 3h59 h TRP 397 N 0.52 -0.08 0.00 0.00 2.91 -1.32 -2.49 115.95 115.49 3h59 h TRP 397 Ca 0.14 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 3h59 h TRP 397 Cb 0.15 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3h59 h TRP 397 CO -0.01 -0.05 -0.01 0.93 -1.03 0.00 0.00 178.44 178.27 3h59 h GLU 398 N -0.08 0.00 0.00 2.65 5.08 -1.04 -0.41 114.58 120.78 3h59 h GLU 398 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3h59 h GLU 398 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3h59 h GLU 398 CO 0.00 0.01 -0.21 1.15 -1.00 0.00 0.00 179.01 178.96 3h59 h THR 399 N 0.00 0.92 0.00 1.13 2.02 -0.51 -3.31 112.91 113.16 3h59 h THR 399 Ca -0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3h59 h THR 399 Cb 0.27 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3h59 h THR 399 CO 0.00 0.20 -1.17 0.00 0.37 0.00 0.00 175.52 174.92 3h59 n ALA 400 N -2.40 2.49 -2.98 6.16 0.00 -0.66 -4.88 120.51 118.24 3h59 n ALA 400 Ca -0.02 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 3h59 n ALA 400 Cb 0.29 -0.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 3h59 n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h59 s ARG 401 N -2.42 0.81 0.15 0.00 1.81 -0.25 -4.93 118.95 114.13 3h59 s ARG 401 Ca -0.02 -0.27 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 3h59 s ARG 401 Cb 0.06 -0.77 -0.07 0.00 -0.45 0.00 0.00 34.95 33.71 3h59 s ARG 401 CO 0.35 0.11 1.19 -1.01 -0.68 0.00 0.00 175.30 175.26 3h59 s HIS 402 N 0.14 3.44 0.19 -0.53 3.76 -1.26 -4.28 115.29 116.75 3h59 s HIS 402 Ca -0.02 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.36 3h59 s HIS 402 Cb -0.07 -3.42 -0.05 0.00 1.11 0.00 0.00 32.58 30.15 3h59 s HIS 402 CO 0.00 -1.19 -0.13 0.95 -0.85 0.00 0.00 174.74 173.52 3h59 s THR 403 N 0.22 1.54 -0.01 1.30 -4.23 -1.26 -5.06 115.64 108.15 3h59 s THR 403 Ca 0.54 -2.16 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 3h59 s THR 403 Cb -0.32 -2.00 0.29 0.00 1.34 0.00 0.00 72.50 71.82 3h59 s THR 403 CO 0.34 -0.63 1.81 -0.65 -0.54 0.00 0.00 174.62 174.95 3h59 h PRO 404 N 2.62 0.00 -4.55 3.99 0.11 -1.96 -3.41 132.00 128.79 3h59 h PRO 404 Ca -0.38 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.20 3h59 h PRO 404 Cb 1.21 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.98 3h59 h PRO 404 CO 0.63 0.13 -0.82 0.08 -0.21 0.00 0.00 178.00 177.81 3h59 s VAL 405 N -3.52 1.20 -0.74 3.15 1.01 -1.26 -4.67 120.40 115.56 3h59 s VAL 405 Ca 0.02 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 3h59 s VAL 405 Cb 0.09 -1.11 0.17 0.00 0.00 0.00 0.00 36.38 35.53 3h59 s VAL 405 CO 0.62 0.37 0.76 0.20 0.00 0.00 0.00 175.10 177.05 3h59 s ASN 406 N 0.84 6.52 0.43 3.32 0.01 -0.37 -4.89 114.94 120.81 3h59 s ASN 406 Ca -0.11 -2.18 0.10 0.00 -0.71 0.00 0.00 52.86 49.96 3h59 s ASN 406 Cb -0.15 -2.26 0.95 0.00 0.41 0.00 0.00 41.25 40.20 3h59 s ASN 406 CO 0.01 -0.81 2.05 0.77 -1.51 0.00 0.00 177.10 177.62 3h59 h SER 407 N 8.42 0.30 -0.83 -1.22 4.64 -1.93 -2.25 113.55 120.68 3h59 h SER 407 Ca -0.04 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3h59 h SER 407 Cb 1.06 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 3h59 h SER 407 CO 0.93 0.26 0.54 4.11 -0.87 0.00 0.00 176.83 181.80 3h59 h TRP 408 N 0.34 1.01 -0.13 4.77 5.08 -1.90 -0.18 115.95 124.93 3h59 h TRP 408 Ca 0.09 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.06 3h59 h TRP 408 Cb 0.04 -0.34 -0.00 0.00 -3.00 0.00 0.00 29.16 25.86 3h59 h TRP 408 CO 0.00 0.59 -0.01 1.25 -1.28 0.00 0.00 178.44 179.00 3h59 h LEU 409 N 1.06 0.24 -1.42 0.11 5.85 -1.81 -1.03 115.31 118.30 3h59 h LEU 409 Ca 0.32 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3h59 h LEU 409 Cb -0.03 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3h59 h LEU 409 CO -0.10 0.51 0.47 1.23 -0.34 0.00 0.00 178.44 180.21 3h59 h GLY 410 N -0.03 0.90 1.17 3.75 0.00 -1.35 -1.87 103.07 105.64 3h59 h GLY 410 Ca 0.04 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 46.91 3h59 h GLY 410 CO 0.01 0.19 -0.55 3.43 0.00 0.00 0.00 176.54 179.62 3h59 h ASN 411 N 0.68 0.97 -0.32 0.19 2.35 -0.81 -1.20 115.58 117.44 3h59 h ASN 411 Ca 0.32 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3h59 h ASN 411 Cb 0.35 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3h59 h ASN 411 CO -0.11 1.32 0.13 0.40 -1.65 0.00 0.00 177.43 177.52 3h59 h ILE 412 N 0.67 1.18 -0.24 2.81 2.04 -1.06 0.16 117.51 123.07 3h59 h ILE 412 Ca 0.02 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.35 3h59 h ILE 412 Cb 1.15 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3h59 h ILE 412 CO 0.12 0.20 0.05 0.40 0.00 0.00 0.00 178.15 178.91 3h59 h ILE 413 N 0.37 0.89 0.01 -0.67 2.04 -1.30 0.04 117.51 118.88 3h59 h ILE 413 Ca 0.11 -0.05 -0.28 0.00 1.00 0.00 0.00 64.86 65.64 3h59 h ILE 413 Cb 0.19 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3h59 h ILE 413 CO -0.01 0.03 -1.59 0.24 0.00 0.00 0.00 178.15 176.81 3h59 h MET 414 N 0.14 0.01 -0.33 2.37 2.86 -1.22 -3.34 114.93 115.41 3h59 h MET 414 Ca 0.11 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 3h59 h MET 414 Cb 0.11 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3h59 h MET 414 CO -0.15 0.61 -0.00 0.66 1.06 0.00 0.00 176.91 179.09 3h59 n TYR 415 N -3.11 1.10 -0.33 -0.22 4.01 0.04 -4.82 117.16 113.82 3h59 n TYR 415 Ca -0.14 -1.25 0.20 0.00 -0.16 0.00 0.00 57.90 56.54 3h59 n TYR 415 Cb 1.03 -0.42 0.45 0.00 -0.31 0.00 0.00 39.34 40.09 3h59 n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h59 h ALA 416 N 1.37 2.04 0.00 -0.72 0.00 -1.11 -1.29 119.26 119.55 3h59 h ALA 416 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h59 h ALA 416 Cb 1.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3h59 h ALA 416 CO 0.34 -0.45 0.00 -1.35 0.00 0.00 0.00 179.25 177.78 3h59 h PRO 417 N 0.49 0.00 -7.07 0.00 0.11 -1.86 -3.41 132.00 120.26 3h59 h PRO 417 Ca 0.60 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 66.23 3h59 h PRO 417 Cb 1.34 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.50 3h59 h PRO 417 CO -0.35 0.00 0.42 0.95 -0.21 0.00 0.00 178.00 178.80 3h59 s THR 418 N -3.66 3.44 0.33 -1.15 -4.23 -0.49 -4.93 115.64 104.96 3h59 s THR 418 Ca 0.01 0.92 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 3h59 s THR 418 Cb 0.09 -3.38 0.10 0.00 1.34 0.00 0.00 72.50 70.65 3h59 s THR 418 CO 0.49 -0.17 1.80 0.17 -0.54 0.00 0.00 174.62 176.37 3h59 h LEU 419 N 1.47 0.32 -0.11 4.79 8.10 -1.90 -2.85 115.31 125.13 3h59 h LEU 419 Ca -0.50 -0.09 -0.24 0.00 0.11 0.00 0.00 57.88 57.16 3h59 h LEU 419 Cb 1.24 -0.09 0.01 0.00 -0.44 0.00 0.00 40.66 41.39 3h59 h LEU 419 CO 0.58 0.56 -0.96 4.11 -4.11 0.00 0.00 178.44 178.62 3h59 h TRP 420 N 0.29 0.84 -0.48 0.17 5.08 -1.92 -1.11 115.95 118.82 3h59 h TRP 420 Ca 0.05 -0.44 -0.09 0.00 1.08 0.00 0.00 58.89 59.48 3h59 h TRP 420 Cb 0.57 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 26.61 3h59 h TRP 420 CO 0.01 1.27 -0.07 0.00 -1.28 0.00 0.00 178.44 178.37 3h59 h ALA 421 N 0.59 0.97 -0.01 0.11 0.00 -1.79 -1.97 119.26 117.16 3h59 h ALA 421 Ca -0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3h59 h ALA 421 Cb 1.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3h59 h ALA 421 CO 0.18 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.84 3h59 h ARG 422 N 0.78 0.16 0.09 0.00 3.08 -1.51 -0.14 114.38 116.83 3h59 h ARG 422 Ca 0.14 -0.16 -0.29 0.00 0.07 0.00 0.00 59.98 59.74 3h59 h ARG 422 Cb 0.57 0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.69 3h59 h ARG 422 CO 0.03 0.88 -1.19 0.52 -1.07 0.00 0.00 179.97 179.14 3h59 h MET 423 N -0.50 0.64 0.00 0.04 2.86 -1.27 -3.35 114.93 113.35 3h59 h MET 423 Ca -0.02 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 56.81 3h59 h MET 423 Cb 0.94 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3h59 h MET 423 CO 0.04 1.36 -0.77 -0.89 1.06 0.00 0.00 176.91 177.71 3h59 n ILE 424 N -3.80 1.18 0.02 -1.22 5.41 -0.75 -4.24 119.36 115.96 3h59 n ILE 424 Ca -0.13 0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.72 3h59 n ILE 424 Cb 0.96 -2.15 -0.08 0.00 -0.71 0.00 0.00 39.64 37.66 3h59 n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h59 h LEU 425 N -0.77 0.01 0.24 1.39 3.38 -1.38 0.65 115.31 118.83 3h59 h LEU 425 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3h59 h LEU 425 Cb 0.77 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3h59 h LEU 425 CO 0.00 0.12 -0.18 0.24 0.09 0.00 0.00 178.44 178.71 3h59 h MET 426 N -0.10 -0.41 0.55 1.13 2.86 -1.18 -1.57 114.93 116.21 3h59 h MET 426 Ca 0.00 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3h59 h MET 426 Cb 0.11 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3h59 h MET 426 CO -0.00 -0.28 -0.50 1.15 1.06 0.00 0.00 176.91 178.34 3h59 h THR 427 N -0.43 0.02 -0.35 2.22 2.02 -1.67 -0.89 112.91 113.83 3h59 h THR 427 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 3h59 h THR 427 Cb 0.38 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 3h59 h THR 427 CO -0.01 0.00 0.00 -0.74 0.37 0.00 0.00 175.52 175.14 3h59 h HIS 428 N -1.04 -0.01 0.12 3.16 6.17 -0.88 -1.41 115.15 121.26 3h59 h HIS 428 Ca -0.07 0.03 -0.28 0.00 0.71 0.00 0.00 60.37 60.75 3h59 h HIS 428 Cb 0.89 0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.88 3h59 h HIS 428 CO -0.23 -0.06 -1.34 0.74 0.71 0.00 0.00 177.93 177.75 3h59 h PHE 429 N 0.10 0.46 -0.58 5.26 0.04 -1.25 -2.91 116.94 118.07 3h59 h PHE 429 Ca 0.17 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 3h59 h PHE 429 Cb 0.24 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3h59 h PHE 429 CO -0.25 1.30 0.30 0.74 -0.60 0.00 0.00 178.31 179.81 3h59 h PHE 430 N 0.07 0.78 -0.06 -0.55 -1.00 -1.14 -0.88 116.94 114.16 3h59 h PHE 430 Ca -0.17 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.64 3h59 h PHE 430 Cb 1.98 -0.25 -0.05 0.00 3.61 0.00 0.00 35.95 41.24 3h59 h PHE 430 CO 0.06 0.56 -0.28 1.03 -1.61 0.00 0.00 178.31 178.07 3h59 h SER 431 N 0.81 -0.85 -0.62 2.17 0.87 -1.22 -0.72 113.55 113.98 3h59 h SER 431 Ca 0.21 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.90 3h59 h SER 431 Cb 0.04 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 3h59 h SER 431 CO -0.03 -0.34 0.40 0.40 -0.53 0.00 0.00 176.83 176.73 3h59 h ILE 432 N -0.39 1.13 -0.43 2.23 2.04 -1.27 -1.20 117.51 119.61 3h59 h ILE 432 Ca 0.08 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3h59 h ILE 432 Cb 0.51 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3h59 h ILE 432 CO -0.28 0.15 -0.15 -0.07 0.00 0.00 0.00 178.15 177.79 3h59 h LEU 433 N 0.81 0.82 0.51 1.44 3.38 -0.97 -1.86 115.31 119.43 3h59 h LEU 433 Ca 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3h59 h LEU 433 Cb -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3h59 h LEU 433 CO -0.07 0.97 -0.24 -0.07 0.09 0.00 0.00 178.44 179.11 3h59 h LEU 434 N 0.73 -0.58 -1.52 1.67 3.38 -0.81 -0.03 115.31 118.15 3h59 h LEU 434 Ca 0.11 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3h59 h LEU 434 Cb 0.66 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3h59 h LEU 434 CO 0.05 -0.36 0.45 0.00 0.09 0.00 0.00 178.44 178.67 3h59 h ALA 435 N -0.30 1.91 -0.02 1.53 0.00 -1.21 -2.25 119.26 118.92 3h59 h ALA 435 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h59 h ALA 435 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h59 h ALA 435 CO 0.11 -0.05 -0.02 1.04 0.00 0.00 0.00 179.25 180.33 3h59 n GLN 436 N -4.48 1.95 -4.00 0.00 1.13 -0.70 -4.97 117.38 106.30 3h59 n GLN 436 Ca 0.11 -1.41 -0.29 0.00 -1.94 0.00 0.00 57.00 53.47 3h59 n GLN 436 Cb 0.35 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 3h59 n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3h59 n GLU 437 N 0.71 -3.67 -0.45 -1.09 1.02 -0.47 -4.92 120.64 111.76 3h59 n GLU 437 Ca 0.16 0.44 0.05 0.00 -0.02 0.00 0.00 57.16 57.79 3h59 n GLU 437 Cb 0.48 -4.85 0.21 0.00 -0.02 0.00 0.00 31.44 27.25 3h59 n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h59 n GLN 438 N -4.43 2.08 -0.15 3.49 6.02 -0.15 -4.77 117.38 119.47 3h59 n GLN 438 Ca -0.16 -2.91 0.11 0.00 -0.01 0.00 0.00 57.00 54.03 3h59 n GLN 438 Cb 0.61 -1.73 0.45 0.00 1.02 0.00 0.00 30.24 30.60 3h59 n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h59 h LEU 439 N 1.04 0.48 -0.52 1.08 4.07 -1.91 -2.34 115.31 117.20 3h59 h LEU 439 Ca 0.06 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3h59 h LEU 439 Cb 1.34 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.00 3h59 h LEU 439 CO 0.19 0.28 -0.15 -0.62 -1.08 0.00 0.00 178.44 177.06 3h59 n GLU 440 N -4.49 1.01 -2.76 1.13 1.02 -1.26 -3.93 120.64 111.36 3h59 n GLU 440 Ca 0.12 -0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 56.32 3h59 n GLU 440 Cb 0.39 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3h59 n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3h59 s LYS 441 N -2.36 4.41 0.29 3.49 2.20 -0.88 -4.95 119.74 121.95 3h59 s LYS 441 Ca 0.30 1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 56.90 3h59 s LYS 441 Cb 0.20 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 3h59 s LYS 441 CO 0.46 -0.26 1.17 0.00 -0.36 0.00 0.00 175.35 176.36 3h59 s ALA 442 N 1.84 3.44 0.02 3.13 0.00 -1.26 -4.42 121.76 124.50 3h59 s ALA 442 Ca 0.46 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.50 3h59 s ALA 442 Cb -0.18 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3h59 s ALA 442 CO 0.18 -0.33 -0.18 -0.51 0.00 0.00 0.00 175.76 174.92 3h59 s LEU 443 N -1.48 2.11 0.19 0.00 1.43 -0.20 -4.86 118.68 115.86 3h59 s LEU 443 Ca 0.46 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 3h59 s LEU 443 Cb -0.35 -0.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 3h59 s LEU 443 CO 0.45 0.16 0.82 -1.81 0.23 0.00 0.00 176.35 176.19 3h59 s ASP 444 N -0.84 7.44 0.18 2.29 1.01 -1.26 -0.58 116.67 124.91 3h59 s ASP 444 Ca 0.06 1.71 -0.15 0.00 0.71 0.00 0.00 52.55 54.88 3h59 s ASP 444 Cb -0.08 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.35 3h59 s ASP 444 CO 0.01 0.18 0.45 0.00 0.21 0.00 0.00 175.17 176.02 3h59 s GLN 446 N -3.89 3.10 -0.07 0.00 -0.21 -1.26 -0.83 119.66 116.50 3h59 s GLN 446 Ca 0.10 -0.61 -0.00 0.00 0.02 0.00 0.00 55.36 54.87 3h59 s GLN 446 Cb 0.00 -2.63 0.02 0.00 1.00 0.00 0.00 33.01 31.41 3h59 s GLN 446 CO -0.03 0.42 -0.04 0.42 -2.12 0.00 0.00 175.29 173.94 3h59 s ILE 447 N -0.17 0.60 -1.35 1.08 1.01 -0.59 -4.80 121.20 116.97 3h59 s ILE 447 Ca 0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 3h59 s ILE 447 Cb -0.13 -0.67 0.07 0.00 0.01 0.00 0.00 42.46 41.74 3h59 s ILE 447 CO 0.03 0.27 0.56 -1.22 0.00 0.00 0.00 174.94 174.58 3h59 n TYR 448 N 4.60 -1.85 0.00 3.97 4.01 -1.26 -2.29 117.16 124.34 3h59 n TYR 448 Ca -0.16 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3h59 n TYR 448 Cb 0.50 -3.21 0.00 0.00 -0.31 0.00 0.00 39.34 36.32 3h59 n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h59 n GLY 449 N -1.27 2.65 3.90 2.72 0.00 -1.26 -0.50 105.19 111.42 3h59 n GLY 449 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3h59 n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h59 s ALA 450 N -2.13 3.63 -0.16 4.61 0.00 -0.97 -4.48 121.76 122.27 3h59 s ALA 450 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 3h59 s ALA 450 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 3h59 s ALA 450 CO 0.00 0.38 0.17 0.00 0.00 0.00 0.00 175.76 176.31 3h59 s TYR 452 N -0.06 1.57 -0.25 0.00 1.51 -0.01 -0.64 117.35 119.46 3h59 s TYR 452 Ca 0.12 -0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 55.71 3h59 s TYR 452 Cb -0.12 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 3h59 s TYR 452 CO 0.01 -0.04 0.36 0.45 -1.11 0.00 0.00 175.55 175.22 3h59 s SER 453 N -0.35 6.29 -0.05 2.29 0.15 -1.26 -1.15 113.70 119.62 3h59 s SER 453 Ca 0.05 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.06 3h59 s SER 453 Cb -0.07 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 3h59 s SER 453 CO -0.00 -0.14 -0.13 -0.63 1.20 0.00 0.00 173.24 173.53 3h59 s ILE 454 N 1.83 1.17 -0.27 6.45 1.01 0.25 -4.87 121.20 126.76 3h59 s ILE 454 Ca 0.15 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3h59 s ILE 454 Cb -0.15 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3h59 s ILE 454 CO 0.09 0.35 1.00 -1.61 0.00 0.00 0.00 174.94 174.77 3h59 s GLU 455 N 0.34 4.14 0.59 2.79 2.02 -1.26 -1.04 118.70 126.29 3h59 s GLU 455 Ca -0.08 1.12 0.29 0.00 0.02 0.00 0.00 54.97 56.31 3h59 s GLU 455 Cb -0.13 -3.69 1.71 0.00 0.10 0.00 0.00 34.13 32.12 3h59 s GLU 455 CO 0.03 -0.72 2.16 -1.35 0.02 0.00 0.00 175.26 175.39 3h59 h PRO 456 N 7.79 0.00 0.00 0.39 0.11 -1.77 -1.09 132.00 137.43 3h59 h PRO 456 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3h59 h PRO 456 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h59 h PRO 456 CO 0.98 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.70 3h59 h LEU 457 N 0.00 0.00 -0.20 2.35 3.38 -1.94 -2.32 115.31 116.58 3h59 h LEU 457 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h59 h LEU 457 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3h59 h LEU 457 CO -0.00 0.00 -0.04 0.47 0.09 0.00 0.00 178.44 178.96 3h59 n ASP 458 N -2.63 0.35 -0.26 -0.43 8.00 -0.41 -4.51 116.55 116.65 3h59 n ASP 458 Ca 0.02 -0.77 0.01 0.00 0.71 0.00 0.00 54.79 54.75 3h59 n ASP 458 Cb 0.27 -0.08 0.13 0.00 -0.02 0.00 0.00 41.12 41.43 3h59 n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h59 h LEU 459 N 0.49 0.61 -0.97 0.64 3.38 -1.52 -2.15 115.31 115.78 3h59 h LEU 459 Ca 0.00 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3h59 h LEU 459 Cb 0.23 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3h59 h LEU 459 CO 0.00 0.37 0.62 -0.65 0.09 0.00 0.00 178.44 178.87 3h59 h PRO 460 N 0.74 1.08 -0.10 1.13 0.11 -1.84 -0.53 132.00 132.58 3h59 h PRO 460 Ca 0.35 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.20 3h59 h PRO 460 Cb 0.27 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.15 3h59 h PRO 460 CO -0.22 0.71 -0.70 1.96 -0.21 0.00 0.00 178.00 179.54 3h59 h GLN 461 N 1.11 0.66 -0.23 1.05 7.50 -1.82 -1.71 115.11 121.66 3h59 h GLN 461 Ca 0.43 -0.57 0.05 0.00 0.50 0.00 0.00 58.65 59.06 3h59 h GLN 461 Cb 0.20 0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.81 3h59 h GLN 461 CO -0.18 1.18 -0.09 0.82 -1.50 0.00 0.00 178.83 179.07 3h59 h ILE 462 N 0.32 0.70 -0.63 2.54 2.04 -1.27 -2.16 117.51 119.06 3h59 h ILE 462 Ca -0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 3h59 h ILE 462 Cb 1.35 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3h59 h ILE 462 CO 0.14 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.78 3h59 h ILE 463 N -0.04 1.26 -0.91 -0.67 2.04 -1.07 -1.40 117.51 116.72 3h59 h ILE 463 Ca 0.12 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.97 3h59 h ILE 463 Cb 0.22 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3h59 h ILE 463 CO -0.26 0.38 0.59 -0.08 0.00 0.00 0.00 178.15 178.78 3h59 h GLU 464 N 0.96 1.14 -0.21 2.37 4.81 -1.23 0.17 114.58 122.58 3h59 h GLU 464 Ca 0.19 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3h59 h GLU 464 Cb 0.45 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3h59 h GLU 464 CO 0.02 0.75 -0.10 0.00 -0.73 0.00 0.00 179.01 178.95 3h59 h ARG 465 N 1.17 0.44 -0.02 1.92 2.47 -1.08 0.16 114.38 119.44 3h59 h ARG 465 Ca 0.35 -0.19 -0.16 0.00 -1.26 0.00 0.00 59.98 58.72 3h59 h ARG 465 Cb -0.04 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 3h59 h ARG 465 CO -0.10 0.72 -0.71 -0.07 0.56 0.00 0.00 179.97 180.37 3h59 h LEU 466 N 0.15 0.16 0.00 3.04 3.38 -1.19 -3.40 115.31 117.45 3h59 h LEU 466 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h59 h LEU 466 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3h59 h LEU 466 CO 0.03 0.81 -0.43 1.41 0.09 0.00 0.00 178.44 180.36 3h59 n HIS 467 N -3.75 0.00 0.00 1.13 8.25 0.04 -1.82 115.22 119.06 3h59 n HIS 467 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3h59 n HIS 467 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 3h59 n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h59 n GLY 468 N 1.27 -2.05 0.33 -1.41 0.00 0.56 -4.57 105.19 99.32 3h59 n GLY 468 Ca 0.00 -1.50 0.18 0.00 0.00 0.00 0.00 46.02 44.69 3h59 n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h59 h LEU 469 N 0.00 0.00 -2.49 0.99 3.38 -1.88 -2.15 115.31 113.16 3h59 h LEU 469 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h59 h LEU 469 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h59 h LEU 469 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 3h59 h SER 470 N 0.00 0.00 0.09 -0.43 4.64 -1.96 -2.01 113.55 113.87 3h59 h SER 470 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3h59 h SER 470 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3h59 h SER 470 CO -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 3h59 h ALA 471 N 2.01 1.33 -0.01 5.18 0.00 -1.63 -2.25 119.26 123.88 3h59 h ALA 471 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h59 h ALA 471 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h59 h ALA 471 CO 0.00 0.02 -0.21 1.19 0.00 0.00 0.00 179.25 180.26 3h59 n PHE 472 N -3.58 0.00 -0.26 0.00 3.72 -0.76 -4.34 117.46 112.24 3h59 n PHE 472 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3h59 n PHE 472 Cb 0.11 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3h59 n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h59 n SER 473 N -0.23 0.71 -4.75 4.37 7.64 -0.87 -4.48 113.62 116.01 3h59 n SER 473 Ca 0.14 -0.98 -0.39 0.00 1.01 0.00 0.00 58.87 58.65 3h59 n SER 473 Cb 0.38 0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3h59 n SER 473 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3h59 n LEU 474 N -0.02 5.58 -3.92 -3.43 4.77 -1.04 -4.22 117.00 114.73 3h59 n LEU 474 Ca 0.00 0.98 -0.11 0.00 -0.03 0.00 0.00 56.01 56.85 3h59 n LEU 474 Cb 0.07 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 3h59 n LEU 474 CO 0.00 -0.54 0.38 -1.38 -1.33 0.00 0.00 177.39 174.52 3h59 s HIS 475 N -1.28 0.52 -1.34 -1.77 -3.43 -0.58 -4.95 115.29 102.47 3h59 s HIS 475 Ca 0.71 -1.03 -0.03 0.00 -0.80 0.00 0.00 55.06 53.92 3h59 s HIS 475 Cb -0.42 0.48 -0.00 0.00 -1.43 0.00 0.00 32.58 31.21 3h59 s HIS 475 CO 0.49 -1.43 0.55 0.43 -2.00 0.00 0.00 174.74 172.79 3h59 n SER 476 N -1.50 -1.18 -4.69 7.38 7.64 -1.26 -1.39 113.62 118.61 3h59 n SER 476 Ca -0.05 -0.95 -0.31 0.00 1.01 0.00 0.00 58.87 58.58 3h59 n SER 476 Cb 0.60 -3.42 0.15 0.00 -1.01 0.00 0.00 64.21 60.53 3h59 n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h59 s TYR 477 N -3.81 1.96 0.50 1.43 1.51 -1.26 -4.32 117.35 113.35 3h59 s TYR 477 Ca 0.06 1.63 -0.19 0.00 -1.01 0.00 0.00 57.07 57.56 3h59 s TYR 477 Cb -0.02 -3.22 -0.08 0.00 -0.11 0.00 0.00 41.96 38.53 3h59 s TYR 477 CO 0.86 -2.54 1.01 -1.54 -1.11 0.00 0.00 175.55 172.23 3h59 s SER 478 N -2.95 6.45 0.36 2.29 1.04 -1.20 -4.87 113.70 114.82 3h59 s SER 478 Ca 0.65 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.89 3h59 s SER 478 Cb -0.21 -2.54 0.69 0.00 0.10 0.00 0.00 66.02 64.06 3h59 s SER 478 CO 0.58 -0.70 1.99 -0.65 0.98 0.00 0.00 173.24 175.43 3h59 h PRO 479 N 1.32 0.78 0.20 4.02 0.11 -1.95 -0.74 132.00 135.74 3h59 h PRO 479 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3h59 h PRO 479 Cb 1.20 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3h59 h PRO 479 CO 0.60 0.52 -0.11 0.78 -0.21 0.00 0.00 178.00 179.57 3h59 h GLY 480 N 0.81 -0.30 0.95 -0.55 0.00 -1.99 -1.38 103.07 100.61 3h59 h GLY 480 Ca 0.27 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.73 3h59 h GLY 480 CO -0.07 -0.12 0.23 -2.09 0.00 0.00 0.00 176.54 174.49 3h59 h GLU 481 N -0.29 0.45 -0.62 4.80 4.57 -1.86 -1.19 114.58 120.44 3h59 h GLU 481 Ca -0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3h59 h GLU 481 Cb 0.24 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3h59 h GLU 481 CO 0.03 0.30 0.39 0.82 -1.18 0.00 0.00 179.01 179.37 3h59 h ILE 482 N 0.47 1.17 -0.34 2.32 2.04 -1.09 -1.99 117.51 120.08 3h59 h ILE 482 Ca 0.14 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 3h59 h ILE 482 Cb -0.02 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3h59 h ILE 482 CO -0.05 0.17 -0.24 0.78 0.00 0.00 0.00 178.15 178.81 3h59 h ASN 483 N 0.84 0.69 -0.62 1.72 -0.26 -1.10 -1.53 115.58 115.31 3h59 h ASN 483 Ca 0.22 -0.25 -0.07 0.00 -0.56 0.00 0.00 56.30 55.65 3h59 h ASN 483 Cb -0.06 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 3h59 h ASN 483 CO -0.05 0.91 0.12 -0.09 -1.06 0.00 0.00 177.43 177.27 3h59 h ARG 484 N 0.60 1.02 0.71 0.81 2.43 -0.91 -1.13 114.38 117.91 3h59 h ARG 484 Ca 0.08 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3h59 h ARG 484 Cb 0.72 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3h59 h ARG 484 CO 0.06 0.94 -0.34 0.28 -1.51 0.00 0.00 179.97 179.40 3h59 h VAL 485 N 0.93 0.29 -0.86 0.20 2.07 -1.19 -2.61 116.25 115.08 3h59 h VAL 485 Ca 0.19 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.85 3h59 h VAL 485 Cb 0.40 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 3h59 h VAL 485 CO 0.01 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.01 3h59 h ALA 486 N -0.70 1.32 -0.61 1.67 0.00 -1.23 0.94 119.26 120.64 3h59 h ALA 486 Ca -0.10 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h59 h ALA 486 Cb 0.74 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3h59 h ALA 486 CO 0.16 -0.20 0.35 1.03 0.00 0.00 0.00 179.25 180.59 3h59 h SER 487 N 0.51 0.53 -0.65 0.00 0.87 -1.17 -1.77 113.55 111.88 3h59 h SER 487 Ca 0.50 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 61.00 3h59 h SER 487 Cb 0.81 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 3h59 h SER 487 CO -0.43 0.36 0.12 0.00 -0.53 0.00 0.00 176.83 176.35 3h59 h LEU 489 N 0.98 0.69 -0.44 0.00 3.38 -0.92 -1.13 115.31 117.87 3h59 h LEU 489 Ca 0.20 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3h59 h LEU 489 Cb 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3h59 h LEU 489 CO 0.01 0.80 0.25 0.03 0.09 0.00 0.00 178.44 179.62 3h59 h ARG 490 N 0.55 0.49 -0.43 1.13 3.08 -1.28 0.22 114.38 118.14 3h59 h ARG 490 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3h59 h ARG 490 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3h59 h ARG 490 CO 0.01 0.32 0.24 -0.22 -1.07 0.00 0.00 179.97 179.26 3h59 h LYS 491 N 0.50 0.59 0.00 0.04 3.64 -1.05 -3.09 116.57 117.21 3h59 h LYS 491 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3h59 h LYS 491 Cb 0.03 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3h59 h LYS 491 CO -0.09 0.46 -0.53 1.28 -2.27 0.00 0.00 179.45 178.31 3h59 n LEU 492 N -4.72 0.59 -0.16 5.20 4.32 -0.46 -4.88 117.00 116.89 3h59 n LEU 492 Ca 0.01 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 3h59 n LEU 492 Cb 0.07 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 3h59 n LEU 492 CO 0.36 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 3h59 n GLY 493 N 1.40 0.62 3.77 -0.72 0.00 0.18 -1.59 105.19 108.85 3h59 n GLY 493 Ca 0.04 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3h59 n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h59 s VAL 494 N -2.31 4.62 0.54 1.61 1.01 0.53 -2.39 120.40 124.00 3h59 s VAL 494 Ca 0.00 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.28 3h59 s VAL 494 Cb 0.00 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3h59 s VAL 494 CO 0.00 0.47 1.13 -2.65 0.00 0.00 0.00 175.10 174.06 3h59 n PRO 495 N 2.10 1.33 -1.14 2.72 -0.02 -1.26 -4.59 135.00 134.13 3h59 n PRO 495 Ca -0.06 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 3h59 n PRO 495 Cb 0.50 -2.30 0.17 0.00 -0.02 0.00 0.00 33.50 31.85 3h59 n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h59 s PRO 496 N -2.63 0.48 0.36 0.52 0.04 -1.26 -4.80 135.00 127.70 3h59 s PRO 496 Ca 0.71 0.59 0.12 0.00 0.04 0.00 0.00 61.00 62.45 3h59 s PRO 496 Cb -0.45 -1.74 0.69 0.00 0.04 0.00 0.00 34.50 33.04 3h59 s PRO 496 CO 0.50 -2.72 1.81 -0.07 0.04 0.00 0.00 177.00 176.57 3h59 h LEU 497 N -1.89 0.04 -1.26 -3.56 3.38 -1.99 -2.01 115.31 108.02 3h59 h LEU 497 Ca -0.54 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.50 3h59 h LEU 497 Cb 1.32 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 3h59 h LEU 497 CO 0.57 0.41 0.55 0.08 0.09 0.00 0.00 178.44 180.13 3h59 h ARG 498 N 0.04 0.82 -0.28 1.13 0.11 -2.00 0.87 114.38 115.07 3h59 h ARG 498 Ca 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.98 3h59 h ARG 498 Cb 0.67 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 3h59 h ARG 498 CO 0.05 0.54 -0.03 0.28 0.10 0.00 0.00 179.97 180.91 3h59 h VAL 499 N 0.84 1.27 -0.98 0.08 2.07 -1.71 -2.63 116.25 115.18 3h59 h VAL 499 Ca 0.38 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3h59 h VAL 499 Cb 0.37 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3h59 h VAL 499 CO -0.15 0.32 0.64 -0.50 0.02 0.00 0.00 177.57 177.90 3h59 h TRP 500 N 0.28 1.20 -0.49 1.57 4.06 -1.19 -1.11 115.95 120.26 3h59 h TRP 500 Ca 0.07 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 3h59 h TRP 500 Cb 0.48 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 3h59 h TRP 500 CO 0.04 0.66 0.28 -0.09 -3.56 0.00 0.00 178.44 175.78 3h59 h ARG 501 N 1.21 0.67 0.11 0.49 2.43 -0.82 -0.28 114.38 118.19 3h59 h ARG 501 Ca 0.40 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 3h59 h ARG 501 Cb 0.06 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3h59 h ARG 501 CO -0.14 0.51 -0.19 1.25 -1.51 0.00 0.00 179.97 179.89 3h59 h HIS 502 N 0.65 -0.50 -0.35 2.20 2.76 -1.06 -2.61 115.15 116.24 3h59 h HIS 502 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3h59 h HIS 502 Cb 0.02 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3h59 h HIS 502 CO -0.02 -0.28 0.01 0.00 -1.30 0.00 0.00 177.93 176.33 3h59 h ARG 503 N -0.37 0.53 -0.49 5.26 3.08 -1.10 -2.70 114.38 118.59 3h59 h ARG 503 Ca 0.03 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3h59 h ARG 503 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3h59 h ARG 503 CO -0.10 0.56 0.18 0.00 -1.07 0.00 0.00 179.97 179.53 3h59 h ALA 504 N 1.50 1.40 0.15 0.04 0.00 -0.80 -0.74 119.26 120.81 3h59 h ALA 504 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h59 h ALA 504 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h59 h ALA 504 CO 0.01 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 3h59 h ARG 505 N 0.70 -0.19 -0.19 0.00 3.08 -1.13 0.16 114.38 116.81 3h59 h ARG 505 Ca 0.17 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.28 3h59 h ARG 505 Cb 0.17 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3h59 h ARG 505 CO -0.01 -0.06 -0.28 1.03 -1.07 0.00 0.00 179.97 179.58 3h59 h SER 506 N -0.29 -0.89 -0.60 7.04 0.87 -1.49 0.31 113.55 118.50 3h59 h SER 506 Ca -0.02 0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 3h59 h SER 506 Cb 0.23 0.39 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 3h59 h SER 506 CO 0.03 -0.32 0.31 0.58 -0.53 0.00 0.00 176.83 176.91 3h59 h VAL 507 N -0.32 0.94 -0.39 2.23 2.07 -1.00 -0.01 116.25 119.77 3h59 h VAL 507 Ca 0.12 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3h59 h VAL 507 Cb 0.50 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3h59 h VAL 507 CO -0.37 0.11 0.18 -0.09 0.02 0.00 0.00 177.57 177.42 3h59 h ARG 508 N 0.58 0.58 -0.37 1.57 2.43 -0.39 -1.02 114.38 117.77 3h59 h ARG 508 Ca 0.27 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3h59 h ARG 508 Cb 0.19 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3h59 h ARG 508 CO -0.18 0.52 0.22 0.00 -1.51 0.00 0.00 179.97 179.01 3h59 h ALA 509 N 1.02 0.47 -0.44 2.80 0.00 -0.61 -0.25 119.26 122.25 3h59 h ALA 509 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3h59 h ALA 509 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3h59 h ALA 509 CO -0.01 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.41 3h59 h ARG 510 N 0.48 0.40 -0.36 0.00 -0.00 -0.85 -1.53 114.38 112.52 3h59 h ARG 510 Ca 0.13 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.56 3h59 h ARG 510 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.88 3h59 h ARG 510 CO -0.02 0.27 0.13 -0.07 0.00 0.00 0.00 179.97 180.27 3h59 h LEU 511 N 0.42 0.51 -1.25 3.04 3.38 -0.92 -2.54 115.31 117.95 3h59 h LEU 511 Ca 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3h59 h LEU 511 Cb 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3h59 h LEU 511 CO -0.15 0.56 0.50 -0.07 0.09 0.00 0.00 178.44 179.37 3h59 h LEU 512 N 0.43 0.87 0.00 1.67 3.38 -0.94 -1.60 115.31 119.13 3h59 h LEU 512 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h59 h LEU 512 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h59 h LEU 512 CO -0.01 0.64 0.00 -1.20 0.09 0.00 0.00 178.44 177.96 3h59 n SER 513 N -4.42 0.00 0.03 -0.43 7.64 -0.59 -2.21 113.62 113.65 3h59 n SER 513 Ca 0.08 0.06 0.11 0.00 1.01 0.00 0.00 58.87 60.14 3h59 n SER 513 Cb 0.03 -0.27 0.06 0.00 -1.01 0.00 0.00 64.21 63.03 3h59 n SER 513 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h59 n GLN 514 N -1.27 0.26 -1.03 1.43 1.13 -0.62 -5.07 117.38 112.21 3h59 n GLN 514 Ca 0.07 0.01 0.14 0.00 -1.94 0.00 0.00 57.00 55.28 3h59 n GLN 514 Cb 0.11 -1.60 -0.04 0.00 0.11 0.00 0.00 30.24 28.81 3h59 n GLN 514 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h59 n GLY 515 N 1.37 -2.11 7.00 1.08 0.00 -0.94 -4.83 105.19 106.77 3h59 n GLY 515 Ca 0.02 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3h59 n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h59 n GLY 516 N -3.56 1.82 0.37 -0.02 0.00 -1.26 -2.11 105.19 100.43 3h59 n GLY 516 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.45 3h59 n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h59 h ARG 517 N 0.00 1.05 -0.61 1.61 3.08 -1.93 -1.95 114.38 115.64 3h59 h ARG 517 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3h59 h ARG 517 Cb 0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3h59 h ARG 517 CO 0.00 0.70 0.39 0.00 -1.07 0.00 0.00 179.97 179.99 3h59 h ALA 518 N 1.49 0.77 -0.35 0.04 0.00 -1.81 -1.73 119.26 117.67 3h59 h ALA 518 Ca 0.39 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3h59 h ALA 518 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h59 h ALA 518 CO -0.14 0.23 -0.10 0.00 0.00 0.00 0.00 179.25 179.23 3h59 h ALA 519 N 1.21 1.17 -0.75 0.00 0.00 -0.91 -1.13 119.26 118.85 3h59 h ALA 519 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3h59 h ALA 519 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3h59 h ALA 519 CO -0.05 0.53 0.38 1.15 0.00 0.00 0.00 179.25 181.26 3h59 h THR 520 N 0.56 1.23 -0.57 0.00 2.02 -0.82 0.43 112.91 115.76 3h59 h THR 520 Ca 0.10 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3h59 h THR 520 Cb 0.51 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3h59 h THR 520 CO 0.03 0.27 0.25 0.00 0.37 0.00 0.00 175.52 176.44 3h59 h GLY 522 N 0.78 0.59 0.92 0.00 0.00 -0.66 -0.58 103.07 104.12 3h59 h GLY 522 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3h59 h GLY 522 CO -0.02 0.26 -0.43 1.70 0.00 0.00 0.00 176.54 178.05 3h59 h LYS 523 N 0.51 -1.08 0.02 4.80 3.64 -0.01 -3.22 116.57 121.23 3h59 h LYS 523 Ca 0.14 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3h59 h LYS 523 Cb 0.06 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3h59 h LYS 523 CO -0.02 -0.72 -0.09 1.88 -2.27 0.00 0.00 179.45 178.23 3h59 h TYR 524 N -1.12 0.06 0.00 1.91 -1.99 -1.09 -3.15 116.97 111.59 3h59 h TYR 524 Ca -0.10 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.53 3h59 h TYR 524 Cb 0.88 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 3h59 h TYR 524 CO -0.06 1.03 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.81 3h59 h LEU 525 N -0.92 0.00 -2.74 3.88 3.38 -1.27 -3.25 115.31 114.38 3h59 h LEU 525 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h59 h LEU 525 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3h59 h LEU 525 CO 0.02 0.25 -0.11 0.49 0.09 0.00 0.00 178.44 179.17 3h59 n PHE 526 N -3.93 0.00 0.00 1.13 3.72 -1.22 -4.71 117.46 112.46 3h59 n PHE 526 Ca -0.02 -0.73 0.12 0.00 -0.05 0.00 0.00 57.45 56.77 3h59 n PHE 526 Cb 0.33 -0.12 0.56 0.00 -0.94 0.00 0.00 39.48 39.31 3h59 n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h59 h ASN 527 N 0.00 0.23 -0.05 4.37 -0.00 -1.58 -2.08 115.58 116.47 3h59 h ASN 527 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.32 3h59 h ASN 527 Cb 1.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 3h59 h ASN 527 CO 0.00 0.15 0.06 4.11 -0.00 0.00 0.00 177.43 181.75 3h59 h TRP 528 N 0.26 0.00 -0.00 0.67 5.08 -1.84 -3.06 115.95 117.06 3h59 h TRP 528 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 3h59 h TRP 528 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 3h59 h TRP 528 CO -0.00 0.00 -0.14 0.00 -1.28 0.00 0.00 178.44 177.01 3h59 n ALA 529 N -2.30 2.75 -2.37 0.11 0.00 -0.78 -4.86 120.51 113.05 3h59 n ALA 529 Ca -0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 3h59 n ALA 529 Cb 0.15 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 3h59 n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h59 s VAL 530 N -2.80 2.27 0.07 0.00 -7.23 -1.16 -4.78 120.40 106.77 3h59 s VAL 530 Ca 0.19 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 3h59 s VAL 530 Cb 0.19 -1.92 -0.25 0.00 0.56 0.00 0.00 36.38 34.97 3h59 s VAL 530 CO 0.54 0.31 1.11 0.11 -0.31 0.00 0.00 175.10 176.87 3h59 h LYS 531 N 4.58 0.13 -5.15 4.82 1.57 -1.89 -3.40 116.57 117.23 3h59 h LYS 531 Ca -0.47 -0.22 -0.66 0.00 -1.87 0.00 0.00 60.65 57.43 3h59 h LYS 531 Cb 1.15 0.08 -0.17 0.00 0.08 0.00 0.00 32.23 33.37 3h59 h LYS 531 CO 0.43 1.05 0.42 0.95 -0.57 0.00 0.00 179.45 181.73 3h59 s THR 532 N -2.67 4.53 0.25 -0.16 -4.23 -1.26 -5.02 115.64 107.08 3h59 s THR 532 Ca -0.03 -0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 59.58 3h59 s THR 532 Cb 0.08 -4.63 -0.09 0.00 1.34 0.00 0.00 72.50 69.21 3h59 s THR 532 CO 0.85 -1.35 0.80 -0.54 -0.54 0.00 0.00 174.62 173.84 3h59 s LYS 533 N 3.48 4.38 0.38 3.99 3.01 -1.26 -5.07 119.74 128.64 3h59 s LYS 533 Ca 0.19 1.04 -0.19 0.00 -1.01 0.00 0.00 55.97 56.00 3h59 s LYS 533 Cb -0.18 -2.87 -0.10 0.00 -1.01 0.00 0.00 37.83 33.66 3h59 s LYS 533 CO 0.07 0.36 0.86 -0.51 0.51 0.00 0.00 175.35 176.65 3h59 s LEU 534 N -1.96 4.00 -0.09 3.17 1.02 -1.26 -5.05 118.68 118.51 3h59 s LEU 534 Ca 0.45 1.52 -0.30 0.00 0.02 0.00 0.00 54.13 55.82 3h59 s LEU 534 Cb -0.18 -4.33 -0.02 0.00 0.02 0.00 0.00 46.19 41.68 3h59 s LEU 534 CO 0.22 -0.29 1.07 -1.59 0.02 0.00 0.00 176.35 175.79 3h59 s LYS 535 N -3.07 4.40 -0.40 1.70 -2.85 -1.26 -5.01 119.74 113.25 3h59 s LYS 535 Ca 0.58 1.49 -0.13 0.00 -1.00 0.00 0.00 55.97 56.91 3h59 s LYS 535 Cb -0.10 -3.54 0.03 0.00 -2.06 0.00 0.00 37.83 32.16 3h59 s LYS 535 CO 0.15 -0.36 0.26 -0.51 0.10 0.00 0.00 175.35 174.99 3h59 s LEU 536 N 2.06 4.95 0.28 2.77 1.02 -1.26 -5.08 118.68 123.43 3h59 s LEU 536 Ca 0.51 -0.98 0.08 0.00 0.02 0.00 0.00 54.13 53.76 3h59 s LEU 536 Cb -0.20 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 3h59 s LEU 536 CO 0.19 -0.43 0.12 0.42 0.02 0.00 0.00 176.35 176.67 3h59 s THR 537 N 1.61 3.79 0.18 5.49 -4.23 -1.26 -5.06 115.64 116.16 3h59 s THR 537 Ca 0.03 -1.64 -0.33 0.00 -1.18 0.00 0.00 61.69 58.57 3h59 s THR 537 Cb -0.19 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.39 3h59 s THR 537 CO 0.08 -0.32 1.49 -2.65 -0.54 0.00 0.00 174.62 172.68 3h59 n PRO 538 N -1.08 1.99 -2.79 3.99 -0.02 -1.26 -4.91 135.00 130.90 3h59 n PRO 538 Ca -0.06 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3h59 n PRO 538 Cb 0.59 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3h59 n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h59 s ILE 539 N 0.56 4.73 0.23 4.25 1.01 -1.26 -4.96 121.20 125.75 3h59 s ILE 539 Ca 0.76 1.65 -0.09 0.00 0.00 0.00 0.00 60.65 62.97 3h59 s ILE 539 Cb -0.70 -4.23 0.22 0.00 0.01 0.00 0.00 42.46 37.76 3h59 s ILE 539 CO 0.42 -0.21 1.66 -0.65 0.00 0.00 0.00 174.94 176.16 3h59 h PRO 540 N 7.78 0.12 -0.19 2.79 0.11 -2.03 -0.88 132.00 139.70 3h59 h PRO 540 Ca -0.22 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.94 3h59 h PRO 540 Cb 1.08 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3h59 h PRO 540 CO 0.93 0.08 0.22 0.00 -0.21 0.00 0.00 178.00 179.02 3h59 h ALA 541 N 1.61 1.79 -0.54 -0.75 0.00 -2.00 -2.47 119.26 116.89 3h59 h ALA 541 Ca 0.36 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3h59 h ALA 541 Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3h59 h ALA 541 CO -0.57 -0.32 0.34 0.00 0.00 0.00 0.00 179.25 178.71 3h59 h ALA 542 N 1.74 0.69 0.00 0.00 0.00 -1.46 -2.38 119.26 117.85 3h59 h ALA 542 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h59 h ALA 542 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h59 h ALA 542 CO -0.00 0.08 -0.01 0.66 0.00 0.00 0.00 179.25 179.97 3h59 h SER 543 N 0.68 0.00 -0.00 0.00 4.64 -1.56 -2.86 113.55 114.46 3h59 h SER 543 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3h59 h SER 543 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3h59 h SER 543 CO -0.07 0.01 -0.84 0.54 -0.87 0.00 0.00 176.83 175.60 3h59 n ARG 544 N -3.28 0.83 -1.69 4.77 1.74 -0.93 -4.97 116.66 113.12 3h59 n ARG 544 Ca -0.02 -0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.53 3h59 n ARG 544 Cb 0.12 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3h59 n ARG 544 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h59 n LEU 545 N -1.30 3.97 -4.48 0.55 4.77 -0.99 -4.91 117.00 114.60 3h59 n LEU 545 Ca 0.04 1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 3h59 n LEU 545 Cb 0.31 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 39.82 3h59 n LEU 545 CO 0.37 0.15 0.89 -0.62 -1.33 0.00 0.00 177.39 176.84 3h59 s ASP 546 N 2.37 6.18 -0.21 -1.43 -1.08 -1.26 -4.82 116.67 116.41 3h59 s ASP 546 Ca 0.81 -0.84 0.15 0.00 -0.52 0.00 0.00 52.55 52.15 3h59 s ASP 546 Cb -0.50 -2.46 0.63 0.00 -1.46 0.00 0.00 42.92 39.13 3h59 s ASP 546 CO 0.37 -1.56 1.55 0.18 0.52 0.00 0.00 175.17 176.23 3h59 n LEU 547 N 8.21 4.61 -4.75 -1.34 4.32 -1.26 -4.98 117.00 121.81 3h59 n LEU 547 Ca -0.01 -3.04 -0.37 0.00 -0.02 0.00 0.00 56.01 52.56 3h59 n LEU 547 Cb 0.47 -0.61 0.03 0.00 -1.62 0.00 0.00 43.42 41.69 3h59 n LEU 547 CO 0.66 0.70 0.89 -0.94 -1.22 0.00 0.00 177.39 177.47 3h59 s SER 548 N -1.57 5.38 0.00 -1.43 1.04 -1.26 -1.77 113.70 114.09 3h59 s SER 548 Ca 0.47 2.50 0.00 0.00 0.48 0.00 0.00 55.95 59.40 3h59 s SER 548 Cb 0.37 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3h59 s SER 548 CO 0.11 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.47 3h59 n GLY 549 N 0.59 2.76 3.73 7.32 0.00 -1.26 -4.99 105.19 113.33 3h59 n GLY 549 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3h59 n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h59 s TRP 550 N -2.07 3.62 -1.15 1.61 0.52 -0.73 -4.43 118.94 116.32 3h59 s TRP 550 Ca 0.00 1.27 -0.03 0.00 0.02 0.00 0.00 56.10 57.36 3h59 s TRP 550 Cb 0.00 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.53 3h59 s TRP 550 CO 0.00 0.17 0.95 1.19 0.02 0.00 0.00 176.95 179.28 3h59 n PHE 551 N 3.43 -2.28 -0.01 -1.98 3.72 -1.26 -4.94 117.46 114.14 3h59 n PHE 551 Ca -0.03 0.90 -0.05 0.00 -0.05 0.00 0.00 57.45 58.22 3h59 n PHE 551 Cb 0.51 -4.66 -0.02 0.00 -0.94 0.00 0.00 39.48 34.38 3h59 n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h59 n VAL 552 N -3.79 0.74 -4.10 -4.37 0.31 -1.19 -4.40 118.33 101.54 3h59 n VAL 552 Ca -0.20 0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 3h59 n VAL 552 Cb 0.65 -1.66 -0.06 0.00 -0.91 0.00 0.00 33.84 31.86 3h59 n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h59 s ALA 553 N -2.16 0.66 -0.01 3.52 0.00 -1.25 -3.96 121.76 118.55 3h59 s ALA 553 Ca -0.08 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 3h59 s ALA 553 Cb 0.03 1.19 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 3h59 s ALA 553 CO 0.11 -0.77 0.16 0.20 0.00 0.00 0.00 175.76 175.46 3h59 s GLY 554 N -3.18 2.14 -0.27 0.00 0.00 -1.26 -4.91 107.32 99.83 3h59 s GLY 554 Ca 0.31 -0.79 0.20 0.00 0.00 0.00 0.00 44.72 44.44 3h59 s GLY 554 CO 0.17 -0.67 1.11 -1.72 0.00 0.00 0.00 173.10 171.99 3h59 n TYR 555 N 1.02 1.46 -1.82 1.90 4.01 0.34 -4.56 117.16 119.51 3h59 n TYR 555 Ca -0.12 -2.21 -0.42 0.00 -0.16 0.00 0.00 57.90 55.00 3h59 n TYR 555 Cb 0.53 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 3h59 n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h59 s SER 556 N -3.73 6.49 0.00 7.72 0.15 -1.26 -0.42 113.70 122.65 3h59 s SER 556 Ca 0.30 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.65 3h59 s SER 556 Cb 0.34 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 3h59 s SER 556 CO -0.03 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.10 3h59 n GLY 557 N 3.97 0.78 0.00 9.45 0.00 -1.26 -4.19 105.19 113.94 3h59 n GLY 557 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3h59 n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h59 n GLY 558 N -2.00 -1.40 3.38 -0.02 0.00 0.44 -3.15 105.19 102.44 3h59 n GLY 558 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3h59 n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h59 n ASP 559 N -1.48 -3.98 -4.55 1.61 2.03 -1.26 -4.54 116.55 104.39 3h59 n ASP 559 Ca 0.07 -0.55 -0.34 0.00 0.52 0.00 0.00 54.79 54.49 3h59 n ASP 559 Cb 0.33 -4.83 -0.12 0.00 -0.72 0.00 0.00 41.12 35.79 3h59 n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h59 s ILE 560 N -3.32 3.90 -0.12 5.18 -1.09 -1.26 -4.32 121.20 120.17 3h59 s ILE 560 Ca 0.26 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3h59 s ILE 560 Cb -0.12 -2.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3h59 s ILE 560 CO 0.69 0.54 -0.11 -0.47 -1.23 0.00 0.00 174.94 174.35 3h59 s TYR 561 N -0.12 1.75 -0.12 3.97 5.04 0.06 -0.75 117.35 127.19 3h59 s TYR 561 Ca 0.02 -0.88 0.01 0.00 -2.44 0.00 0.00 57.07 53.78 3h59 s TYR 561 Cb -0.13 -1.34 0.01 0.00 0.35 0.00 0.00 41.96 40.84 3h59 s TYR 561 CO 0.03 -0.52 0.53 0.72 -1.34 0.00 0.00 175.55 174.96