#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 4.69 0.23 -0.41 1.00 -1.26 -1.24 119.30 122.30 3h59 s MET 2 Ca 0.00 1.31 -0.08 0.00 0.00 0.00 0.00 55.69 56.92 3h59 s MET 2 Cb 0.00 -3.29 0.25 0.00 0.00 0.00 0.00 34.83 31.79 3h59 s MET 2 CO 0.00 0.49 1.87 0.66 0.00 0.00 0.00 175.02 178.04 3h59 h SER 3 N 4.51 0.88 -4.99 3.03 4.64 -1.47 -3.41 113.55 116.73 3h59 h SER 3 Ca -0.46 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.68 3h59 h SER 3 Cb 1.20 -0.20 -0.18 0.00 -0.31 0.00 0.00 62.40 62.91 3h59 h SER 3 CO 0.68 0.60 -0.70 -0.31 -0.87 0.00 0.00 176.83 176.23 3h59 s TYR 4 N -6.10 0.47 0.11 4.77 2.02 -1.26 -1.17 117.35 116.18 3h59 s TYR 4 Ca -0.13 -0.74 0.09 0.00 -0.37 0.00 0.00 57.07 55.93 3h59 s TYR 4 Cb 0.17 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 3h59 s TYR 4 CO 0.79 -0.23 -0.23 0.95 -1.57 0.00 0.00 175.55 175.25 3h59 s THR 5 N -2.46 1.94 0.04 -0.71 -4.23 -0.26 -4.87 115.64 105.09 3h59 s THR 5 Ca -0.05 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 3h59 s THR 5 Cb -0.03 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3h59 s THR 5 CO -0.04 0.03 -0.17 0.26 -0.54 0.00 0.00 174.62 174.16 3h59 s TRP 6 N -1.09 1.50 -0.17 3.99 0.52 -1.26 -0.98 118.94 121.45 3h59 s TRP 6 Ca 0.10 -0.36 0.20 0.00 0.02 0.00 0.00 56.10 56.06 3h59 s TRP 6 Cb -0.10 -0.89 -0.09 0.00 -1.15 0.00 0.00 33.47 31.24 3h59 s TRP 6 CO 0.05 0.06 0.89 0.25 0.02 0.00 0.00 176.95 178.21 3h59 n THR 7 N 1.91 0.84 0.00 2.01 -2.24 -0.50 -4.92 114.28 111.39 3h59 n THR 7 Ca -0.17 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3h59 n THR 7 Cb 0.54 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.29 2.30 3.76 3.38 0.00 -1.26 -5.08 105.19 109.58 3h59 n GLY 8 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3h59 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h59 n ALA 9 N -0.54 2.42 -1.78 4.61 0.00 -1.26 -4.98 120.51 118.98 3h59 n ALA 9 Ca 0.00 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 3h59 n ALA 9 Cb 0.00 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.01 3h59 n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h59 s LEU 10 N -1.36 3.50 -0.22 0.00 1.43 -1.26 -4.77 118.68 115.99 3h59 s LEU 10 Ca 0.58 1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 55.02 3h59 s LEU 10 Cb -0.49 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.23 3h59 s LEU 10 CO 0.57 -0.86 0.96 -0.63 0.23 0.00 0.00 176.35 176.63 3h59 s ILE 11 N -2.69 4.75 0.13 -0.59 1.01 -1.26 -4.81 121.20 117.74 3h59 s ILE 11 Ca 0.60 1.87 0.09 0.00 0.00 0.00 0.00 60.65 63.20 3h59 s ILE 11 Cb -0.12 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3h59 s ILE 11 CO 0.38 -0.12 -0.16 0.42 0.00 0.00 0.00 174.94 175.46 3h59 s THR 12 N 2.93 2.96 0.84 2.92 -4.23 -1.26 -4.79 115.64 115.00 3h59 s THR 12 Ca 0.41 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 3h59 s THR 12 Cb -0.15 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.41 3h59 s THR 12 CO 0.08 0.05 1.21 -2.16 -0.54 0.00 0.00 174.62 173.25 3h59 s PRO 13 N -2.32 1.65 0.00 3.99 0.04 -1.26 -4.31 135.00 132.80 3h59 s PRO 13 Ca 0.20 -0.03 0.16 0.00 0.04 0.00 0.00 61.00 61.37 3h59 s PRO 13 Cb -0.10 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.54 3h59 s PRO 13 CO 0.12 -1.78 0.89 0.00 0.04 0.00 0.00 177.00 176.26 3h59 s ALA 15 N -1.72 -2.29 0.44 0.00 0.00 -1.26 -5.15 121.76 111.79 3h59 s ALA 15 Ca 0.15 1.32 -0.25 0.00 0.00 0.00 0.00 51.96 53.18 3h59 s ALA 15 Cb 0.13 -0.00 -0.09 0.00 0.00 0.00 0.00 23.12 23.15 3h59 s ALA 15 CO 0.34 -0.82 1.25 0.00 0.00 0.00 0.00 175.76 176.53 3h59 n ALA 16 N -0.27 1.20 -3.57 0.00 0.00 -1.26 -4.98 120.51 111.63 3h59 n ALA 16 Ca -0.03 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 3h59 n ALA 16 Cb 0.60 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 3h59 n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h59 s GLU 17 N -2.27 3.13 0.02 0.00 2.02 -1.26 -5.11 118.70 115.23 3h59 s GLU 17 Ca 0.62 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 54.58 3h59 s GLU 17 Cb -0.50 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 3h59 s GLU 17 CO 0.57 -0.01 0.72 -1.21 0.02 0.00 0.00 175.26 175.35 3h59 s GLU 18 N 0.85 4.45 -0.10 1.61 2.02 -1.26 -4.96 118.70 121.31 3h59 s GLU 18 Ca -0.05 0.98 0.09 0.00 0.02 0.00 0.00 54.97 56.01 3h59 s GLU 18 Cb -0.15 -3.37 -0.13 0.00 0.10 0.00 0.00 34.13 30.58 3h59 s GLU 18 CO -0.02 0.27 0.05 -1.13 0.02 0.00 0.00 175.26 174.46 3h59 n SER 19 N 2.91 2.41 -4.74 -0.19 3.41 -1.26 -4.59 113.62 111.57 3h59 n SER 19 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 3h59 n SER 19 Cb 0.50 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.29 4.59 -0.05 4.33 1.02 -1.26 -0.58 119.74 125.48 3h59 s LYS 20 Ca -0.05 1.72 -0.33 0.00 0.02 0.00 0.00 55.97 57.33 3h59 s LYS 20 Cb 0.03 -3.28 -0.11 0.00 -0.52 0.00 0.00 37.83 33.95 3h59 s LYS 20 CO 0.43 0.06 1.90 -0.11 -0.92 0.00 0.00 175.35 176.71 3h59 n LEU 21 N 2.42 3.62 -4.77 3.17 7.94 -1.25 -4.89 117.00 123.24 3h59 n LEU 21 Ca 0.03 0.96 -0.41 0.00 -1.11 0.00 0.00 56.01 55.48 3h59 n LEU 21 Cb 0.46 -1.41 -0.01 0.00 0.53 0.00 0.00 43.42 42.99 3h59 n LEU 21 CO 0.54 0.01 1.13 -2.84 -1.11 0.00 0.00 177.39 175.12 3h59 s PRO 22 N 4.10 4.16 -0.08 1.96 0.02 -1.26 -5.04 135.00 138.86 3h59 s PRO 22 Ca 0.92 2.51 0.03 0.00 0.02 0.00 0.00 61.00 64.47 3h59 s PRO 22 Cb -0.63 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.87 3h59 s PRO 22 CO 0.49 -0.50 -0.17 0.42 -0.33 0.00 0.00 177.00 176.91 3h59 s ILE 23 N -0.83 2.73 0.00 2.83 -1.09 -1.26 -4.68 121.20 118.90 3h59 s ILE 23 Ca 0.55 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 3h59 s ILE 23 Cb -0.46 -2.07 -0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3h59 s ILE 23 CO 0.57 0.56 0.00 -0.46 -1.23 0.00 0.00 174.94 174.39 3h59 n ASN 24 N 2.95 0.29 0.15 3.58 0.23 -1.26 -5.02 115.26 116.18 3h59 n ASN 24 Ca -0.18 -1.02 0.11 0.00 -0.53 0.00 0.00 54.58 52.97 3h59 n ASN 24 Cb 0.52 0.01 0.56 0.00 -2.08 0.00 0.00 39.78 38.79 3h59 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h59 n ALA 25 N -2.98 1.28 0.36 -2.53 0.00 -1.26 -2.39 120.51 112.98 3h59 n ALA 25 Ca -0.00 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.71 3h59 n ALA 25 Cb 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 3h59 n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h59 n LEU 26 N -2.26 0.39 0.09 0.00 4.77 -1.26 -4.66 117.00 114.06 3h59 n LEU 26 Ca -0.00 -0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 3h59 n LEU 26 Cb 0.11 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3h59 n LEU 26 CO 0.14 0.08 0.77 0.28 -1.33 0.00 0.00 177.39 177.32 3h59 h SER 27 N 0.00 -0.41 0.18 -1.43 0.02 -1.83 -2.79 113.55 107.29 3h59 h SER 27 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3h59 h SER 27 Cb 0.82 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 3h59 h SER 27 CO 0.00 -0.22 -0.03 0.78 -1.14 0.00 0.00 176.83 176.22 3h59 h ASN 28 N -0.29 0.00 0.84 3.07 2.35 -1.78 -0.72 115.58 119.04 3h59 h ASN 28 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3h59 h ASN 28 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3h59 h ASN 28 CO -0.08 0.03 -0.09 0.77 -1.65 0.00 0.00 177.43 176.41 3h59 h SER 29 N 0.00 0.00 0.04 5.81 4.64 -1.80 -3.25 113.55 118.99 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 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 3h59 h SER 29 CO 0.00 0.09 -2.14 -0.11 -0.87 0.00 0.00 176.83 173.80 3h59 n LEU 30 N -3.26 2.49 -3.65 5.97 7.94 -0.34 -4.68 117.00 121.47 3h59 n LEU 30 Ca -0.00 0.15 -0.01 0.00 -1.11 0.00 0.00 56.01 55.04 3h59 n LEU 30 Cb 0.32 -0.97 -0.04 0.00 0.53 0.00 0.00 43.42 43.26 3h59 n LEU 30 CO 0.29 0.73 0.25 -0.22 -1.11 0.00 0.00 177.39 177.34 3h59 s LEU 31 N -7.10 -1.12 -0.02 -1.96 0.20 -0.79 -4.15 118.68 103.74 3h59 s LEU 31 Ca -0.31 1.55 0.09 0.00 0.69 0.00 0.00 54.13 56.15 3h59 s LEU 31 Cb 0.09 2.27 -0.23 0.00 -0.43 0.00 0.00 46.19 47.88 3h59 s LEU 31 CO 0.63 -0.22 0.75 0.03 -0.29 0.00 0.00 176.35 177.25 3h59 h ARG 32 N 7.99 0.05 -3.67 1.98 3.08 -1.33 -3.37 114.38 119.11 3h59 h ARG 32 Ca -0.18 -0.08 -0.76 0.00 0.07 0.00 0.00 59.98 59.03 3h59 h ARG 32 Cb 1.10 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 31.02 3h59 h ARG 32 CO 0.10 0.69 1.85 0.72 -1.07 0.00 0.00 179.97 182.26 3h59 n HIS 33 N -3.17 3.24 -0.02 3.04 8.25 -0.83 -4.78 115.22 120.95 3h59 n HIS 33 Ca -0.15 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.43 3h59 n HIS 33 Cb 1.03 -1.95 0.31 0.00 1.12 0.00 0.00 29.99 30.50 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 5.95 0.58 0.00 4.41 3.86 -1.86 -2.47 115.15 125.63 3h59 h HIS 34 Ca 0.37 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3h59 h HIS 34 Cb 0.67 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3h59 h HIS 34 CO 1.21 0.52 0.00 -2.95 0.86 0.00 0.00 177.93 177.57 3h59 h ASN 35 N 0.56 0.00 0.88 2.45 7.08 -1.97 -2.15 115.58 122.43 3h59 h ASN 35 Ca 0.13 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.35 3h59 h ASN 35 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 3h59 h ASN 35 CO -0.00 0.00 -0.15 0.23 -2.08 0.00 0.00 177.43 175.43 3h59 n MET 36 N -3.01 0.01 -3.97 4.14 2.81 -0.93 -4.81 117.12 111.35 3h59 n MET 36 Ca -0.03 0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.52 3h59 n MET 36 Cb 0.09 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.00 3h59 n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h59 s VAL 37 N -3.01 5.07 0.01 2.03 1.01 -0.81 -0.18 120.40 124.53 3h59 s VAL 37 Ca 0.13 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 3h59 s VAL 37 Cb 0.18 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3h59 s VAL 37 CO 0.58 0.54 0.27 -0.72 0.00 0.00 0.00 175.10 175.77 3h59 s TYR 38 N -0.32 -0.10 -0.09 5.22 1.13 -0.58 -3.79 117.35 118.82 3h59 s TYR 38 Ca 0.10 0.06 -0.01 0.00 -1.41 0.00 0.00 57.07 55.80 3h59 s TYR 38 Cb -0.12 0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 3h59 s TYR 38 CO 0.01 -0.42 -0.03 0.00 -2.51 0.00 0.00 175.55 172.61 3h59 s ALA 39 N -1.85 3.15 0.49 9.51 0.00 0.25 -1.07 121.76 132.24 3h59 s ALA 39 Ca -0.10 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 3h59 s ALA 39 Cb -0.04 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.59 3h59 s ALA 39 CO 0.01 0.51 1.27 0.95 0.00 0.00 0.00 175.76 178.50 3h59 s THR 40 N -0.63 2.58 0.21 0.00 -4.23 -0.47 -4.41 115.64 108.69 3h59 s THR 40 Ca 0.10 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 3h59 s THR 40 Cb -0.12 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 3h59 s THR 40 CO 0.02 0.01 0.02 0.42 -0.54 0.00 0.00 174.62 174.54 3h59 s THR 41 N -1.39 0.78 0.58 3.99 -4.23 -1.26 -4.04 115.64 110.07 3h59 s THR 41 Ca 0.66 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.47 3h59 s THR 41 Cb -0.35 -2.28 0.43 0.00 1.34 0.00 0.00 72.50 71.63 3h59 s THR 41 CO 0.43 -0.34 1.78 0.77 -0.54 0.00 0.00 174.62 176.72 3h59 h SER 42 N 2.56 0.00 0.23 3.99 4.64 -1.84 -2.67 113.55 120.46 3h59 h SER 42 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3h59 h SER 42 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h59 h SER 42 CO 0.63 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.13 3h59 n ARG 43 N -3.78 0.46 -0.10 4.77 1.74 -1.26 -1.45 116.66 117.03 3h59 n ARG 43 Ca 0.15 0.05 0.06 0.00 -0.77 0.00 0.00 57.85 57.35 3h59 n ARG 43 Cb 0.96 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 31.01 3h59 n ARG 43 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3h59 n SER 44 N -1.17 2.56 0.10 0.55 3.41 -1.01 -4.72 113.62 113.34 3h59 n SER 44 Ca 0.13 -1.76 0.13 0.00 -0.26 0.00 0.00 58.87 57.11 3h59 n SER 44 Cb 0.13 -0.13 0.64 0.00 -0.26 0.00 0.00 64.21 64.58 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 2.42 2.20 -0.35 7.33 0.00 -1.39 -1.64 119.26 127.83 3h59 h ALA 45 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3h59 h ALA 45 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3h59 h ALA 45 CO 0.00 -0.28 0.01 0.78 0.00 0.00 0.00 179.25 179.76 3h59 h GLY 46 N 0.07 0.59 1.10 0.00 0.00 -1.85 0.30 103.07 103.27 3h59 h GLY 46 Ca 0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 3h59 h GLY 46 CO -0.01 0.32 0.21 1.41 0.00 0.00 0.00 176.54 178.47 3h59 h LEU 47 N 0.53 1.06 -0.24 3.11 3.38 -1.65 -3.06 115.31 118.43 3h59 h LEU 47 Ca 0.11 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 3h59 h LEU 47 Cb 0.32 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3h59 h LEU 47 CO 0.01 0.99 -0.71 -0.09 0.09 0.00 0.00 178.44 178.73 3h59 h ARG 48 N 1.08 0.76 -0.63 1.13 9.65 -1.45 -3.21 114.38 121.70 3h59 h ARG 48 Ca 0.23 -0.57 0.12 0.00 -1.10 0.00 0.00 59.98 58.66 3h59 h ARG 48 Cb 0.32 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 28.92 3h59 h ARG 48 CO -0.00 1.19 0.15 1.96 2.80 0.00 0.00 179.97 186.06 3h59 h GLN 49 N 0.54 0.27 -0.21 0.20 4.20 -0.93 -1.54 115.11 117.65 3h59 h GLN 49 Ca -0.03 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.71 3h59 h GLN 49 Cb 1.32 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 3h59 h GLN 49 CO 0.14 0.18 -0.12 0.87 -0.67 0.00 0.00 178.83 179.24 3h59 h LYS 50 N 0.28 -0.10 -0.82 1.46 1.57 -1.55 -2.91 116.57 114.50 3h59 h LYS 50 Ca 0.33 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 3h59 h LYS 50 Cb 0.50 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 3h59 h LYS 50 CO -0.41 -0.06 0.41 0.87 -0.57 0.00 0.00 179.45 179.68 3h59 h LYS 51 N -0.10 1.17 -0.01 3.15 1.57 -1.40 -2.89 116.57 118.06 3h59 h LYS 51 Ca 0.12 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3h59 h LYS 51 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3h59 h LYS 51 CO -0.27 0.89 -0.01 1.33 -0.57 0.00 0.00 179.45 180.82 3h59 n VAL 52 N -4.32 0.00 -3.67 0.50 0.24 -0.64 -4.77 118.33 105.67 3h59 n VAL 52 Ca 0.08 -0.16 -0.39 0.00 -2.04 0.00 0.00 64.34 61.83 3h59 n VAL 52 Cb 0.13 0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.04 4.22 0.12 3.34 2.01 -1.09 -4.69 115.64 117.50 3h59 s THR 53 Ca 0.40 -0.94 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 3h59 s THR 53 Cb 0.21 -3.35 0.07 0.00 0.01 0.00 0.00 72.50 69.45 3h59 s THR 53 CO 0.36 -0.18 0.84 0.72 -0.69 0.00 0.00 174.62 175.67 3h59 s PHE 54 N 1.49 -0.28 0.28 4.92 -0.12 -1.26 -4.95 117.98 118.06 3h59 s PHE 54 Ca 0.01 0.03 -0.28 0.00 -0.05 0.00 0.00 56.93 56.63 3h59 s PHE 54 Cb -0.19 0.60 -0.09 0.00 -0.63 0.00 0.00 43.02 42.71 3h59 s PHE 54 CO 0.05 -0.80 0.94 0.34 -0.05 0.00 0.00 175.22 175.70 3h59 s ASP 55 N -2.75 7.50 -0.05 1.98 2.15 -1.26 -1.23 116.67 123.00 3h59 s ASP 55 Ca 0.08 1.89 0.06 0.00 0.43 0.00 0.00 52.55 55.01 3h59 s ASP 55 Cb -0.02 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 3h59 s ASP 55 CO -0.03 0.05 -0.23 -0.13 -0.17 0.00 0.00 175.17 174.66 3h59 s ARG 56 N -1.60 2.49 0.06 4.34 3.00 -0.37 -4.95 118.95 121.93 3h59 s ARG 56 Ca 0.45 -0.86 0.06 0.00 0.00 0.00 0.00 55.73 55.38 3h59 s ARG 56 Cb -0.22 -2.20 -0.03 0.00 0.00 0.00 0.00 34.95 32.50 3h59 s ARG 56 CO 0.28 0.45 -0.15 -0.51 0.00 0.00 0.00 175.30 175.37 3h59 s LEU 57 N -0.33 2.23 -0.10 2.53 1.02 -1.26 -4.66 118.68 118.11 3h59 s LEU 57 Ca 0.02 -0.55 -0.03 0.00 0.02 0.00 0.00 54.13 53.58 3h59 s LEU 57 Cb -0.12 -0.63 0.05 0.00 0.02 0.00 0.00 46.19 45.50 3h59 s LEU 57 CO 0.02 0.00 0.11 -1.58 0.02 0.00 0.00 176.35 174.93 3h59 s GLN 58 N -1.47 0.01 -0.29 1.70 0.74 -1.26 -3.87 119.66 115.22 3h59 s GLN 58 Ca 0.01 0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.66 3h59 s GLN 58 Cb -0.09 -0.83 0.00 0.00 1.10 0.00 0.00 33.01 33.19 3h59 s GLN 58 CO 0.02 -0.44 0.08 0.08 -0.55 0.00 0.00 175.29 174.48 3h59 s VAL 59 N 2.21 4.02 -0.17 1.34 1.01 0.72 -5.02 120.40 124.52 3h59 s VAL 59 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3h59 s VAL 59 Cb -0.13 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3h59 s VAL 59 CO -0.06 0.11 -0.05 -0.76 0.00 0.00 0.00 175.10 174.34 3h59 s LEU 60 N 1.52 3.08 0.00 3.92 1.43 -1.26 -4.37 118.68 122.99 3h59 s LEU 60 Ca 0.03 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3h59 s LEU 60 Cb -0.17 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3h59 s LEU 60 CO 0.03 0.12 0.07 -0.90 0.23 0.00 0.00 176.35 175.90 3h59 n ASP 61 N 3.83 2.07 -0.01 2.29 5.75 -1.26 -5.01 116.55 124.20 3h59 n ASP 61 Ca -0.18 -1.74 -0.05 0.00 -0.01 0.00 0.00 54.79 52.82 3h59 n ASP 61 Cb 0.52 0.06 0.16 0.00 -1.03 0.00 0.00 41.12 40.83 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 0.34 0.56 -0.89 -1.12 3.32 -1.99 -2.60 116.42 114.03 3h59 h ASP 62 Ca -0.14 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.75 3h59 h ASP 62 Cb 0.46 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 3h59 h ASP 62 CO 0.22 0.82 0.57 0.45 -1.72 0.00 0.00 179.24 179.58 3h59 h HIS 63 N 0.48 1.07 0.19 4.55 3.86 -1.97 -1.16 115.15 122.17 3h59 h HIS 63 Ca 0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3h59 h HIS 63 Cb 0.72 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3h59 h HIS 63 CO 0.03 0.59 -0.17 -0.92 0.86 0.00 0.00 177.93 178.32 3h59 h TYR 64 N 1.08 -0.44 0.00 2.45 3.20 -1.79 -1.48 116.97 120.00 3h59 h TYR 64 Ca 0.37 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 3h59 h TYR 64 Cb 0.07 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3h59 h TYR 64 CO -0.02 -0.26 -0.39 0.00 -1.64 0.00 0.00 178.16 175.85 3h59 h ARG 65 N -0.38 0.00 0.11 1.82 3.08 -1.35 -0.97 114.38 116.69 3h59 h ARG 65 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h59 h ARG 65 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3h59 h ARG 65 CO -0.03 0.39 -0.05 -0.44 -1.07 0.00 0.00 179.97 178.78 3h59 h ASP 66 N 0.00 -0.12 -0.50 7.04 3.32 -1.13 -1.62 116.42 123.40 3h59 h ASP 66 Ca -0.00 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.74 3h59 h ASP 66 Cb 0.78 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 3h59 h ASP 66 CO 0.05 0.28 0.31 0.58 -1.72 0.00 0.00 179.24 178.74 3h59 h VAL 67 N -0.55 1.07 -0.91 -1.35 2.07 -1.17 -2.34 116.25 113.07 3h59 h VAL 67 Ca -0.01 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3h59 h VAL 67 Cb 0.44 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3h59 h VAL 67 CO 0.02 0.11 0.56 0.25 0.02 0.00 0.00 177.57 178.54 3h59 h LEU 68 N 0.61 0.86 -0.67 2.57 5.85 -1.23 -1.39 115.31 121.91 3h59 h LEU 68 Ca 0.20 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3h59 h LEU 68 Cb 0.00 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3h59 h LEU 68 CO -0.08 0.52 0.32 0.50 -0.34 0.00 0.00 178.44 179.35 3h59 h LYS 69 N 0.97 0.97 -0.69 1.25 3.64 -0.83 -1.99 116.57 119.89 3h59 h LYS 69 Ca 0.42 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3h59 h LYS 69 Cb 0.28 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3h59 h LYS 69 CO -0.21 0.77 0.35 0.93 -2.27 0.00 0.00 179.45 179.02 3h59 h GLU 70 N 0.93 0.98 -0.61 1.90 5.08 -1.03 -2.65 114.58 119.19 3h59 h GLU 70 Ca 0.23 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3h59 h GLU 70 Cb 0.12 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3h59 h GLU 70 CO -0.03 0.76 0.22 0.52 -1.00 0.00 0.00 179.01 179.47 3h59 h MET 71 N 0.96 0.92 -0.49 2.33 2.86 -0.95 -2.78 114.93 117.79 3h59 h MET 71 Ca 0.24 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3h59 h MET 71 Cb 0.08 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3h59 h MET 71 CO -0.03 0.80 0.11 0.87 1.06 0.00 0.00 176.91 179.72 3h59 h LYS 72 N 0.85 0.74 -0.56 1.72 1.57 -1.30 -0.15 116.57 119.44 3h59 h LYS 72 Ca 0.20 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3h59 h LYS 72 Cb 0.25 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3h59 h LYS 72 CO -0.01 0.67 0.34 0.00 -0.57 0.00 0.00 179.45 179.88 3h59 h ALA 73 N 1.41 0.72 -0.24 3.86 0.00 -1.31 -0.42 119.26 123.28 3h59 h ALA 73 Ca 0.16 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3h59 h ALA 73 Cb 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h59 h ALA 73 CO -0.00 0.06 -0.53 0.87 0.00 0.00 0.00 179.25 179.64 3h59 h LYS 74 N 0.66 0.71 -0.12 0.00 1.57 -1.22 -3.16 116.57 115.01 3h59 h LYS 74 Ca 0.23 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3h59 h LYS 74 Cb 0.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3h59 h LYS 74 CO -0.10 1.06 0.04 0.00 -0.57 0.00 0.00 179.45 179.88 3h59 h ALA 75 N 0.85 1.83 0.00 3.86 0.00 -0.55 -2.13 119.26 123.11 3h59 h ALA 75 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h59 h ALA 75 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3h59 h ALA 75 CO 0.11 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.93 3h59 n SER 76 N -4.47 0.00 0.00 0.00 7.64 -0.21 -1.95 113.62 114.64 3h59 n SER 76 Ca -0.01 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.19 3h59 n SER 76 Cb 0.12 -0.37 0.30 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.37 0.02 -2.94 0.44 -2.24 -0.80 -4.75 114.28 102.65 3h59 n THR 77 Ca 0.07 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 3h59 n THR 77 Cb 0.17 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.01 4.97 -0.17 2.28 1.01 -0.82 -4.97 120.40 119.68 3h59 s VAL 78 Ca 0.11 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.66 3h59 s VAL 78 Cb 0.17 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3h59 s VAL 78 CO 0.67 0.17 -0.00 -0.75 0.00 0.00 0.00 175.10 175.20 3h59 s LYS 79 N 1.21 3.75 0.03 2.72 2.20 -1.26 -0.15 119.74 128.23 3h59 s LYS 79 Ca 0.41 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 3h59 s LYS 79 Cb -0.18 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3h59 s LYS 79 CO 0.19 0.20 -0.13 0.00 -0.36 0.00 0.00 175.35 175.25 3h59 s ALA 80 N 0.50 1.06 0.13 3.13 0.00 -0.55 -4.95 121.76 121.07 3h59 s ALA 80 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3h59 s ALA 80 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3h59 s ALA 80 CO 0.02 0.20 0.13 -1.59 0.00 0.00 0.00 175.76 174.52 3h59 s LYS 81 N -1.00 2.97 0.36 0.00 -2.85 -1.26 -4.47 119.74 113.49 3h59 s LYS 81 Ca 0.01 -0.76 -0.28 0.00 -1.00 0.00 0.00 55.97 53.95 3h59 s LYS 81 Cb -0.07 -2.72 -0.10 0.00 -2.06 0.00 0.00 37.83 32.88 3h59 s LYS 81 CO 0.01 0.52 1.30 -0.51 0.10 0.00 0.00 175.35 176.77 3h59 s LEU 82 N -2.81 4.35 0.27 2.77 1.02 -1.26 -4.58 118.68 118.42 3h59 s LEU 82 Ca 0.31 2.66 -0.11 0.00 0.02 0.00 0.00 54.13 57.00 3h59 s LEU 82 Cb -0.11 -3.75 -0.08 0.00 0.02 0.00 0.00 46.19 42.27 3h59 s LEU 82 CO 0.24 -0.64 0.61 -0.76 0.02 0.00 0.00 176.35 175.82 3h59 s LEU 83 N -2.04 4.12 0.72 1.79 1.02 -0.52 -5.06 118.68 118.70 3h59 s LEU 83 Ca 0.52 1.02 -0.11 0.00 0.02 0.00 0.00 54.13 55.58 3h59 s LEU 83 Cb -0.39 -3.80 0.02 0.00 0.02 0.00 0.00 46.19 42.04 3h59 s LEU 83 CO 0.51 -0.13 1.07 -0.94 0.02 0.00 0.00 176.35 176.87 3h59 s SER 84 N -2.41 5.21 0.14 2.29 1.04 -1.26 -4.72 113.70 113.98 3h59 s SER 84 Ca 0.49 1.48 -0.17 0.00 0.48 0.00 0.00 55.95 58.23 3h59 s SER 84 Cb -0.11 -2.33 0.02 0.00 0.10 0.00 0.00 66.02 63.70 3h59 s SER 84 CO 0.21 -1.54 1.75 0.58 0.98 0.00 0.00 173.24 175.22 3h59 h VAL 85 N -0.78 0.91 -0.58 5.02 2.07 -1.99 -0.96 116.25 119.94 3h59 h VAL 85 Ca -0.45 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 3h59 h VAL 85 Cb 1.23 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3h59 h VAL 85 CO 0.58 0.04 0.07 1.05 0.02 0.00 0.00 177.57 179.34 3h59 h GLU 86 N 0.23 0.95 -0.25 1.57 9.09 -1.98 0.73 114.58 124.91 3h59 h GLU 86 Ca 0.13 -0.24 0.01 0.00 0.05 0.00 0.00 59.36 59.31 3h59 h GLU 86 Cb 0.11 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 3h59 h GLU 86 CO -0.14 0.89 0.13 0.93 0.05 0.00 0.00 179.01 180.87 3h59 h GLU 87 N 0.89 0.27 -0.70 1.06 5.08 -1.86 -2.02 114.58 117.30 3h59 h GLU 87 Ca 0.18 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3h59 h GLU 87 Cb 0.42 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3h59 h GLU 87 CO 0.01 0.18 0.19 0.00 -1.00 0.00 0.00 179.01 178.39 3h59 h ALA 88 N 1.12 1.00 -0.65 3.43 0.00 -0.82 -2.95 119.26 120.39 3h59 h ALA 88 Ca 0.10 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3h59 h ALA 88 Cb 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3h59 h ALA 88 CO -0.06 0.66 0.38 0.00 0.00 0.00 0.00 179.25 180.23 3h59 n LYS 90 N -4.75 0.14 -0.03 0.00 4.76 -0.77 -1.62 118.16 115.89 3h59 n LYS 90 Ca 0.07 0.15 0.13 0.00 -2.87 0.00 0.00 58.31 55.79 3h59 n LYS 90 Cb 0.13 -1.50 0.44 0.00 -1.84 0.00 0.00 35.03 32.26 3h59 n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h59 n LEU 91 N -1.39 1.70 -4.72 -0.35 4.77 -0.96 -4.86 117.00 111.20 3h59 n LEU 91 Ca 0.07 -0.62 -0.40 0.00 -0.03 0.00 0.00 56.01 55.03 3h59 n LEU 91 Cb 0.18 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3h59 n LEU 91 CO 0.16 0.31 0.42 -0.89 -1.33 0.00 0.00 177.39 176.05 3h59 s THR 92 N -1.92 5.04 0.52 -5.08 2.01 -0.64 -0.43 115.64 115.14 3h59 s THR 92 Ca 0.36 1.48 -0.22 0.00 0.31 0.00 0.00 61.69 63.63 3h59 s THR 92 Cb 0.20 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 3h59 s THR 92 CO 0.31 0.25 1.24 -2.84 -0.69 0.00 0.00 174.62 172.89 3h59 s PRO 93 N 0.81 3.36 0.38 4.92 0.02 -1.26 -4.75 135.00 138.47 3h59 s PRO 93 Ca 0.38 1.94 0.10 0.00 0.02 0.00 0.00 61.00 63.45 3h59 s PRO 93 Cb -0.18 -2.24 0.86 0.00 0.02 0.00 0.00 34.50 32.96 3h59 s PRO 93 CO 0.19 -0.93 1.92 -1.35 -0.33 0.00 0.00 177.00 176.50 3h59 h PRO 94 N 1.57 0.62 -0.75 5.54 0.11 -1.96 -2.63 132.00 134.49 3h59 h PRO 94 Ca -0.50 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.30 3h59 h PRO 94 Cb 1.28 -0.14 -0.16 0.00 0.11 0.00 0.00 31.00 32.09 3h59 h PRO 94 CO 0.58 0.41 0.32 0.72 -0.21 0.00 0.00 178.00 179.82 3h59 n HIS 95 N -4.51 2.45 -1.91 0.65 8.25 -1.26 -4.32 115.22 114.57 3h59 n HIS 95 Ca 0.14 -1.35 -0.39 0.00 -0.26 0.00 0.00 57.72 55.86 3h59 n HIS 95 Cb 0.40 -0.72 0.02 0.00 1.12 0.00 0.00 29.99 30.81 3h59 n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h59 s SER 96 N -1.22 5.79 0.21 0.41 0.15 -0.99 -4.93 113.70 113.12 3h59 s SER 96 Ca 0.55 2.73 -0.32 0.00 0.70 0.00 0.00 55.95 59.60 3h59 s SER 96 Cb 0.44 -2.64 -0.13 0.00 -1.71 0.00 0.00 66.02 61.98 3h59 s SER 96 CO 0.12 -1.21 1.55 0.00 1.20 0.00 0.00 173.24 174.90 3h59 n ALA 97 N -0.45 1.66 -1.44 5.45 0.00 -1.26 -4.23 120.51 120.25 3h59 n ALA 97 Ca 0.07 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.59 3h59 n ALA 97 Cb 0.44 -2.37 0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 0.37 2.49 0.50 0.00 -2.85 -1.26 -4.64 119.74 114.35 3h59 s LYS 98 Ca 0.73 1.57 -0.21 0.00 -1.00 0.00 0.00 55.97 57.05 3h59 s LYS 98 Cb -0.62 -1.90 -0.07 0.00 -2.06 0.00 0.00 37.83 33.19 3h59 s LYS 98 CO 0.42 -1.52 1.14 0.45 0.10 0.00 0.00 175.35 175.94 3h59 s SER 99 N -2.31 5.97 0.31 0.03 0.15 0.29 -4.73 113.70 113.42 3h59 s SER 99 Ca 0.70 2.23 0.23 0.00 0.70 0.00 0.00 55.95 59.82 3h59 s SER 99 Cb -0.24 -2.59 1.13 0.00 -1.71 0.00 0.00 66.02 62.60 3h59 s SER 99 CO 0.43 -1.05 1.71 0.29 1.20 0.00 0.00 173.24 175.81 3h59 n LYS 100 N -0.88 0.17 -1.52 5.44 5.02 -1.26 -3.82 118.16 121.31 3h59 n LYS 100 Ca 0.09 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.64 3h59 n LYS 100 Cb 0.50 -1.94 0.07 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.29 2.98 -1.17 2.13 3.72 -1.26 -4.91 117.46 116.65 3h59 n PHE 101 Ca 0.00 -2.67 -0.01 0.00 -0.05 0.00 0.00 57.45 54.73 3h59 n PHE 101 Cb 0.12 -1.04 -0.00 0.00 -0.94 0.00 0.00 39.48 37.61 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 -0.87 0.42 3.34 1.37 0.00 -1.25 -5.02 105.19 103.18 3h59 n GLY 102 Ca 0.56 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.03 0.50 0.26 1.61 -0.85 -1.26 -5.01 117.35 110.58 3h59 s TYR 103 Ca 0.00 -0.85 0.01 0.00 -0.52 0.00 0.00 57.07 55.71 3h59 s TYR 103 Cb 0.00 -0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.23 3h59 s TYR 103 CO 0.00 -0.73 0.05 0.41 -1.52 0.00 0.00 175.55 173.76 3h59 n GLY 104 N -0.23 3.70 0.36 5.49 0.00 -1.26 -0.54 105.19 112.71 3h59 n GLY 104 Ca -0.06 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 1.29 1.42 0.00 4.61 0.00 -1.82 -1.84 119.26 122.91 3h59 h ALA 105 Ca -0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3h59 h ALA 105 Cb 0.72 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3h59 h ALA 105 CO 0.34 0.53 -0.53 0.87 0.00 0.00 0.00 179.25 180.46 3h59 h LYS 106 N 1.13 0.00 -0.62 0.00 1.57 -1.88 0.19 116.57 116.97 3h59 h LYS 106 Ca 0.32 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 3h59 h LYS 106 Cb -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3h59 h LYS 106 CO -0.08 0.53 0.31 -0.44 -0.57 0.00 0.00 179.45 179.20 3h59 h ASP 107 N 0.00 0.80 0.24 0.86 3.32 -1.89 0.84 116.42 120.59 3h59 h ASP 107 Ca -0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3h59 h ASP 107 Cb 1.34 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3h59 h ASP 107 CO 0.07 0.70 -0.11 0.58 -1.72 0.00 0.00 179.24 178.75 3h59 h VAL 108 N 0.84 0.83 -0.88 -1.35 2.07 -0.97 -0.56 116.25 116.23 3h59 h VAL 108 Ca 0.21 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.36 3h59 h VAL 108 Cb 0.10 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3h59 h VAL 108 CO -0.03 0.10 0.54 0.03 0.02 0.00 0.00 177.57 178.23 3h59 h ARG 109 N -0.55 0.91 0.00 1.57 3.08 -0.62 -0.78 114.38 117.99 3h59 h ARG 109 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3h59 h ARG 109 Cb 0.41 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h59 h ARG 109 CO 0.05 0.60 0.00 0.09 -1.07 0.00 0.00 179.97 179.65 3h59 n ASN 110 N -4.65 0.00 -2.01 7.04 3.02 0.29 -4.77 115.26 114.17 3h59 n ASN 110 Ca 0.14 -0.71 -0.16 0.00 -0.03 0.00 0.00 54.58 53.81 3h59 n ASN 110 Cb 0.23 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.09 -1.97 -4.67 3.41 4.77 -0.30 -4.96 117.00 112.19 3h59 n LEU 111 Ca 0.21 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.71 3h59 n LEU 111 Cb 0.15 -2.39 0.03 0.00 -2.33 0.00 0.00 43.42 38.88 3h59 n LEU 111 CO 0.19 -0.05 0.75 -1.54 -1.33 0.00 0.00 177.39 175.41 3h59 n SER 112 N -1.23 1.79 0.19 -1.43 3.41 -0.33 -4.77 113.62 111.26 3h59 n SER 112 Ca -0.16 0.96 0.03 0.00 -0.26 0.00 0.00 58.87 59.44 3h59 n SER 112 Cb 0.63 -1.46 0.39 0.00 -0.26 0.00 0.00 64.21 63.51 3h59 n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h59 h SER 113 N 1.27 0.00 -0.46 4.04 4.64 -1.93 -1.71 113.55 119.39 3h59 h SER 113 Ca -0.48 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 3h59 h SER 113 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3h59 h SER 113 CO 0.55 0.33 -0.00 0.50 -0.87 0.00 0.00 176.83 177.34 3h59 h LYS 114 N 0.00 0.88 0.06 4.77 3.64 -1.96 0.24 116.57 124.20 3h59 h LYS 114 Ca -0.00 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3h59 h LYS 114 Cb 0.59 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3h59 h LYS 114 CO 0.04 0.88 -0.03 0.00 -2.27 0.00 0.00 179.45 178.08 3h59 h ALA 115 N 1.17 -0.08 -0.67 5.00 0.00 -1.78 -2.87 119.26 120.03 3h59 h ALA 115 Ca 0.15 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h59 h ALA 115 Cb 0.49 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3h59 h ALA 115 CO 0.02 -0.23 0.44 0.28 0.00 0.00 0.00 179.25 179.77 3h59 h VAL 116 N -0.72 1.10 -0.19 0.00 2.07 -1.30 -0.92 116.25 116.29 3h59 h VAL 116 Ca -0.01 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3h59 h VAL 116 Cb 0.60 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3h59 h VAL 116 CO 0.01 0.15 -0.27 0.78 0.02 0.00 0.00 177.57 178.26 3h59 h ASN 117 N 0.80 0.57 -0.01 0.57 2.35 -0.60 -1.69 115.58 117.57 3h59 h ASN 117 Ca 0.27 -0.51 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3h59 h ASN 117 Cb 0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3h59 h ASN 117 CO -0.07 0.97 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.91 3h59 h HIS 118 N 0.19 -0.06 -0.72 1.19 2.76 -1.28 -2.61 115.15 114.62 3h59 h HIS 118 Ca 0.02 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.31 3h59 h HIS 118 Cb 0.84 0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.74 3h59 h HIS 118 CO 0.09 -0.04 0.32 0.82 -1.30 0.00 0.00 177.93 177.81 3h59 h ILE 119 N -0.04 0.75 -0.34 6.26 2.04 -1.11 -0.42 117.51 124.65 3h59 h ILE 119 Ca 0.02 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3h59 h ILE 119 Cb 0.06 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3h59 h ILE 119 CO -0.04 0.09 0.15 0.45 0.00 0.00 0.00 178.15 178.81 3h59 h HIS 120 N 0.51 0.46 0.09 1.37 3.86 -1.14 -1.95 115.15 118.35 3h59 h HIS 120 Ca 0.38 -0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 59.31 3h59 h HIS 120 Cb 0.49 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.82 3h59 h HIS 120 CO -0.14 0.36 -1.15 0.66 0.86 0.00 0.00 177.93 178.52 3h59 h SER 121 N 0.48 0.64 -0.36 2.45 4.64 -0.80 -2.71 113.55 117.89 3h59 h SER 121 Ca 0.12 -0.59 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3h59 h SER 121 Cb 0.08 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3h59 h SER 121 CO -0.01 1.42 0.21 0.58 -0.87 0.00 0.00 176.83 178.16 3h59 h VAL 122 N 0.20 1.04 -0.15 0.95 2.07 -0.90 -1.88 116.25 117.60 3h59 h VAL 122 Ca -0.14 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3h59 h VAL 122 Cb 1.83 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3h59 h VAL 122 CO 0.21 0.08 0.03 -0.25 0.02 0.00 0.00 177.57 177.66 3h59 h TRP 123 N 0.43 0.06 -0.43 1.57 2.91 -1.40 -0.52 115.95 118.58 3h59 h TRP 123 Ca 0.14 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.20 3h59 h TRP 123 Cb -0.00 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 3h59 h TRP 123 CO -0.07 0.03 0.22 -0.22 -1.03 0.00 0.00 178.44 177.36 3h59 h LYS 124 N 0.10 0.43 -0.96 2.65 3.64 -1.49 -2.03 116.57 118.90 3h59 h LYS 124 Ca 0.06 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3h59 h LYS 124 Cb 0.05 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 3h59 h LYS 124 CO -0.08 0.28 0.62 0.22 -2.27 0.00 0.00 179.45 178.22 3h59 h ASP 125 N 0.44 0.99 -0.85 4.20 3.58 -1.07 -1.67 116.42 122.03 3h59 h ASP 125 Ca 0.18 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3h59 h ASP 125 Cb 0.08 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 3h59 h ASP 125 CO -0.12 0.63 0.50 -0.07 -2.88 0.00 0.00 179.24 177.30 3h59 h LEU 126 N 1.13 1.04 -1.12 2.28 3.38 -0.46 -1.06 115.31 120.49 3h59 h LEU 126 Ca 0.41 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 3h59 h LEU 126 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3h59 h LEU 126 CO -0.17 0.81 -0.44 -0.07 0.09 0.00 0.00 178.44 178.67 3h59 h LEU 127 N 1.17 0.01 0.00 1.67 3.38 -0.83 -3.29 115.31 117.43 3h59 h LEU 127 Ca 0.30 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3h59 h LEU 127 Cb -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3h59 h LEU 127 CO -0.05 0.45 -1.63 -0.62 0.09 0.00 0.00 178.44 176.67 3h59 n GLU 128 N -4.02 0.64 -4.08 1.13 1.02 -0.68 -4.83 120.64 109.82 3h59 n GLU 128 Ca -0.02 -0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 3h59 n GLU 128 Cb 0.46 -1.66 -0.17 0.00 -0.02 0.00 0.00 31.44 30.06 3h59 n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h59 s ASP 129 N -5.02 2.25 -0.14 1.62 -1.08 -0.43 -5.02 116.67 108.85 3h59 s ASP 129 Ca -0.05 -0.35 0.18 0.00 -0.52 0.00 0.00 52.55 51.81 3h59 s ASP 129 Cb 0.11 -0.93 0.34 0.00 -1.46 0.00 0.00 42.92 40.98 3h59 s ASP 129 CO 0.85 -0.07 1.21 0.35 0.52 0.00 0.00 175.17 178.03 3h59 n THR 130 N 4.67 1.98 0.00 1.71 -2.24 -1.26 -4.54 114.28 114.60 3h59 n THR 130 Ca -0.16 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.42 3h59 n THR 130 Cb 0.50 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.25 0.00 -2.15 2.28 0.24 -1.26 -4.62 118.33 111.57 3h59 n VAL 131 Ca 0.17 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.05 3h59 n VAL 131 Cb 0.69 -0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.65 3.78 0.29 3.34 2.01 -1.26 -4.75 115.64 117.40 3h59 s THR 132 Ca 0.00 0.90 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 3h59 s THR 132 Cb 0.00 -3.71 -0.13 0.00 0.01 0.00 0.00 72.50 68.68 3h59 s THR 132 CO 0.00 -0.22 1.38 -2.65 -0.69 0.00 0.00 174.62 172.44 3h59 n PRO 133 N 7.35 2.17 -3.15 4.92 -0.02 -1.26 -4.73 135.00 140.28 3h59 n PRO 133 Ca 0.17 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 62.03 3h59 n PRO 133 Cb 0.45 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 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 -0.54 4.93 0.40 4.25 1.01 0.33 -4.96 121.20 126.62 3h59 s ILE 134 Ca 0.62 1.32 -0.26 0.00 0.00 0.00 0.00 60.65 62.32 3h59 s ILE 134 Cb -0.59 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 37.82 3h59 s ILE 134 CO 0.55 0.37 1.32 -0.62 0.00 0.00 0.00 174.94 176.56 3h59 s ASP 135 N 0.09 6.35 0.15 3.58 2.15 -1.26 -4.38 116.67 123.36 3h59 s ASP 135 Ca 0.33 2.69 0.07 0.00 0.43 0.00 0.00 52.55 56.07 3h59 s ASP 135 Cb -0.18 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.76 3h59 s ASP 135 CO 0.18 -0.83 -0.15 0.42 -0.17 0.00 0.00 175.17 174.62 3h59 s THR 136 N -1.24 1.54 -0.13 1.71 -4.23 -1.16 -4.20 115.64 107.93 3h59 s THR 136 Ca 0.56 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 3h59 s THR 136 Cb -0.39 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 3h59 s THR 136 CO 0.50 -0.46 0.29 -0.89 -0.54 0.00 0.00 174.62 173.52 3h59 s THR 137 N -2.42 5.29 -0.23 3.99 2.01 0.09 -1.22 115.64 123.14 3h59 s THR 137 Ca 0.15 0.55 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 3h59 s THR 137 Cb -0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3h59 s THR 137 CO 0.05 0.45 0.08 -0.51 -0.69 0.00 0.00 174.62 174.00 3h59 s ILE 138 N -0.00 4.60 0.15 1.82 2.07 -0.24 -1.58 121.20 128.02 3h59 s ILE 138 Ca 0.17 -0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.41 3h59 s ILE 138 Cb -0.13 -3.13 -0.04 0.00 0.13 0.00 0.00 42.46 39.29 3h59 s ILE 138 CO 0.05 0.37 -0.16 -0.04 -1.91 0.00 0.00 174.94 173.26 3h59 s MET 139 N 1.17 1.17 -0.12 3.50 -1.94 -0.29 -4.44 119.30 118.36 3h59 s MET 139 Ca 0.05 -1.36 -0.20 0.00 -1.71 0.00 0.00 55.69 52.47 3h59 s MET 139 Cb -0.14 -1.11 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 3h59 s MET 139 CO 0.04 0.22 0.56 0.00 -0.01 0.00 0.00 175.02 175.82 3h59 s ALA 140 N -2.22 3.45 0.47 3.03 0.00 -1.26 -0.89 121.76 124.33 3h59 s ALA 140 Ca 0.14 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.75 3h59 s ALA 140 Cb -0.05 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 3h59 s ALA 140 CO 0.05 -0.11 1.15 0.15 0.00 0.00 0.00 175.76 176.99 3h59 s LYS 141 N 0.87 3.71 -0.55 0.00 1.02 0.02 -4.70 119.74 120.10 3h59 s LYS 141 Ca 0.29 1.71 -0.09 0.00 0.02 0.00 0.00 55.97 57.90 3h59 s LYS 141 Cb -0.16 -2.33 0.14 0.00 -0.52 0.00 0.00 37.83 34.97 3h59 s LYS 141 CO 0.12 -0.58 0.43 -0.80 -0.92 0.00 0.00 175.35 173.60 3h59 s ASN 142 N -1.47 5.80 0.04 2.83 0.02 -1.26 -4.38 114.94 116.52 3h59 s ASN 142 Ca 0.65 -2.19 0.08 0.00 -1.02 0.00 0.00 52.86 50.39 3h59 s ASN 142 Cb -0.27 -2.02 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 3h59 s ASN 142 CO 0.32 -0.63 -0.24 -1.61 0.02 0.00 0.00 177.10 174.97 3h59 s GLU 143 N 0.95 1.60 -0.07 -0.60 2.02 -1.26 -4.89 118.70 116.46 3h59 s GLU 143 Ca 0.09 -1.02 -0.11 0.00 0.02 0.00 0.00 54.97 53.95 3h59 s GLU 143 Cb -0.23 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 3h59 s GLU 143 CO -0.02 0.45 0.27 0.08 0.02 0.00 0.00 175.26 176.06 3h59 s VAL 144 N -0.80 5.27 0.19 2.63 1.01 -1.26 -1.37 120.40 126.07 3h59 s VAL 144 Ca 0.10 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 3h59 s VAL 144 Cb -0.09 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3h59 s VAL 144 CO 0.02 0.59 0.21 -0.36 0.00 0.00 0.00 175.10 175.56 3h59 s PHE 145 N -0.98 0.80 -0.06 5.22 0.08 -0.23 -4.75 117.98 118.05 3h59 s PHE 145 Ca 0.19 -1.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.09 3h59 s PHE 145 Cb -0.14 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 3h59 s PHE 145 CO 0.08 -0.70 0.15 0.00 -0.10 0.00 0.00 175.22 174.65 3h59 s VAL 147 N -1.16 2.14 -0.42 0.00 -7.23 0.74 -4.99 120.40 109.49 3h59 s VAL 147 Ca 0.21 0.08 -0.01 0.00 -1.81 0.00 0.00 61.98 60.44 3h59 s VAL 147 Cb -0.12 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 3h59 s VAL 147 CO 0.11 -0.03 0.38 1.67 -0.31 0.00 0.00 175.10 176.92 3h59 n GLN 148 N -2.19 -0.83 -4.15 4.82 -0.06 -1.26 -5.07 117.38 108.63 3h59 n GLN 148 Ca 0.15 0.71 -0.35 0.00 -2.00 0.00 0.00 57.00 55.51 3h59 n GLN 148 Cb 0.49 -3.54 -0.08 0.00 -4.06 0.00 0.00 30.24 23.06 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 -3.31 3.13 0.01 3.69 0.52 -1.26 -5.28 118.95 116.44 3h59 s ARG 154 Ca 0.10 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.67 3h59 s ARG 154 Cb -0.01 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 3h59 s ARG 154 CO 0.35 0.70 0.91 0.15 0.02 0.00 0.00 175.30 177.43 3h59 s LYS 155 N -1.22 4.55 0.72 3.54 1.02 -1.26 -5.06 119.74 122.04 3h59 s LYS 155 Ca 0.17 1.30 -0.15 0.00 0.02 0.00 0.00 55.97 57.31 3h59 s LYS 155 Cb -0.12 -3.44 0.04 0.00 -0.52 0.00 0.00 37.83 33.79 3h59 s LYS 155 CO 0.07 0.04 1.18 -2.14 -0.92 0.00 0.00 175.35 173.58 3h59 s PRO 156 N 0.73 2.24 0.33 -1.68 0.02 -1.26 -4.80 135.00 130.57 3h59 s PRO 156 Ca 0.47 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 62.87 3h59 s PRO 156 Cb -0.21 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 3h59 s PRO 156 CO 0.26 -1.73 1.14 0.00 -0.33 0.00 0.00 177.00 176.34 3h59 n ALA 157 N -2.73 0.55 -1.83 -1.55 0.00 -1.26 -4.97 120.51 108.72 3h59 n ALA 157 Ca 0.13 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 3h59 n ALA 157 Cb 0.51 -2.14 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.77 3.68 0.18 0.00 0.52 -1.26 -4.71 118.95 115.58 3h59 s ARG 158 Ca 0.58 0.86 0.04 0.00 -0.52 0.00 0.00 55.73 56.69 3h59 s ARG 158 Cb -0.62 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 3h59 s ARG 158 CO 0.61 -0.50 0.24 -0.51 0.02 0.00 0.00 175.30 175.16 3h59 s LEU 159 N -4.75 4.13 -0.02 2.53 1.02 -1.26 -0.80 118.68 119.53 3h59 s LEU 159 Ca 0.57 0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.75 3h59 s LEU 159 Cb -0.11 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.42 3h59 s LEU 159 CO 0.44 0.03 -0.00 -0.51 0.02 0.00 0.00 176.35 176.33 3h59 s ILE 160 N -1.82 0.17 -0.16 -0.59 1.10 -0.07 -4.85 121.20 114.97 3h59 s ILE 160 Ca 0.33 0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.52 3h59 s ILE 160 Cb -0.10 -0.24 0.03 0.00 0.15 0.00 0.00 42.46 42.30 3h59 s ILE 160 CO 0.27 0.12 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.41 3h59 s VAL 161 N 0.74 1.54 -0.01 4.00 1.01 -1.26 -1.14 120.40 125.29 3h59 s VAL 161 Ca -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 3h59 s VAL 161 Cb -0.10 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 3h59 s VAL 161 CO -0.01 0.33 0.04 0.72 0.00 0.00 0.00 175.10 176.17 3h59 s PHE 162 N 1.48 0.04 0.93 5.22 -0.71 -0.61 -0.63 117.98 123.70 3h59 s PHE 162 Ca 0.03 -0.08 -0.14 0.00 -1.04 0.00 0.00 56.93 55.69 3h59 s PHE 162 Cb -0.14 -0.05 0.16 0.00 -1.21 0.00 0.00 43.02 41.78 3h59 s PHE 162 CO -0.10 -0.10 1.21 -1.25 -1.34 0.00 0.00 175.22 173.65 3h59 s PRO 163 N -0.53 0.95 0.75 1.99 0.04 -1.26 -0.73 135.00 136.21 3h59 s PRO 163 Ca -0.06 -0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.80 3h59 s PRO 163 Cb -0.04 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.71 3h59 s PRO 163 CO -0.00 -2.26 1.21 0.34 0.04 0.00 0.00 177.00 176.33 3h59 s ASP 164 N -4.46 4.04 0.27 6.66 2.15 -1.26 -4.72 116.67 119.34 3h59 s ASP 164 Ca 0.67 2.36 0.00 0.00 0.43 0.00 0.00 52.55 56.02 3h59 s ASP 164 Cb -0.09 -2.59 0.60 0.00 -0.30 0.00 0.00 42.92 40.53 3h59 s ASP 164 CO 0.52 -2.37 1.72 0.25 -0.17 0.00 0.00 175.17 175.12 3h59 h LEU 165 N -0.45 0.33 -0.59 -1.34 5.85 -1.85 -0.62 115.31 116.65 3h59 h LEU 165 Ca -0.47 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.45 3h59 h LEU 165 Cb 1.30 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 3h59 h LEU 165 CO 0.49 0.07 0.26 1.23 -0.34 0.00 0.00 178.44 180.14 3h59 h GLY 166 N 0.45 0.83 1.00 3.75 0.00 -1.96 -1.47 103.07 105.67 3h59 h GLY 166 Ca 0.49 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 3h59 h GLY 166 CO -0.46 0.04 0.12 -2.08 0.00 0.00 0.00 176.54 174.16 3h59 h VAL 167 N 0.47 1.25 -0.93 4.60 2.07 -1.51 -2.77 116.25 119.42 3h59 h VAL 167 Ca 0.28 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3h59 h VAL 167 Cb 0.28 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3h59 h VAL 167 CO -0.24 0.33 0.61 0.03 0.02 0.00 0.00 177.57 178.31 3h59 h ARG 168 N 0.77 1.13 -0.57 1.57 3.08 -0.62 0.90 114.38 120.65 3h59 h ARG 168 Ca 0.17 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3h59 h ARG 168 Cb 0.36 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3h59 h ARG 168 CO 0.00 0.75 -0.01 0.28 -1.07 0.00 0.00 179.97 179.92 3h59 h VAL 169 N 1.16 1.26 -0.78 2.04 2.07 -1.15 -2.44 116.25 118.42 3h59 h VAL 169 Ca 0.37 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3h59 h VAL 169 Cb 0.02 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3h59 h VAL 169 CO -0.12 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.17 3h59 h GLU 171 N 1.15 0.28 -0.43 0.00 5.08 -0.62 -1.64 114.58 118.39 3h59 h GLU 171 Ca 0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3h59 h GLU 171 Cb 0.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3h59 h GLU 171 CO -0.02 0.19 0.28 0.87 -1.00 0.00 0.00 179.01 179.33 3h59 h LYS 172 N 0.29 0.57 -0.36 2.33 1.57 -1.02 -0.58 116.57 119.38 3h59 h LYS 172 Ca 0.25 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 3h59 h LYS 172 Cb 0.31 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 3h59 h LYS 172 CO -0.30 0.38 -0.01 0.52 -0.57 0.00 0.00 179.45 179.47 3h59 h MET 173 N 0.58 0.08 -0.08 3.15 2.86 -0.76 -1.68 114.93 119.08 3h59 h MET 173 Ca 0.16 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.58 3h59 h MET 173 Cb -0.06 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3h59 h MET 173 CO -0.03 0.05 -0.81 0.00 1.06 0.00 0.00 176.91 177.18 3h59 h ALA 174 N 1.32 0.43 0.00 6.32 0.00 -1.22 -1.37 119.26 124.73 3h59 h ALA 174 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h59 h ALA 174 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h59 h ALA 174 CO -0.30 0.74 0.00 1.28 0.00 0.00 0.00 179.25 180.97 3h59 n LEU 175 N -3.85 0.26 -0.17 0.00 4.77 -0.24 -4.78 117.00 112.99 3h59 n LEU 175 Ca -0.06 -0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 3h59 n LEU 175 Cb 0.76 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.86 3h59 n LEU 175 CO 0.51 0.06 1.05 0.22 -1.33 0.00 0.00 177.39 177.90 3h59 h TYR 176 N 0.00 0.64 -0.45 -1.77 3.20 -1.41 -0.28 116.97 116.90 3h59 h TYR 176 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3h59 h TYR 176 Cb 0.27 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3h59 h TYR 176 CO 0.00 0.44 0.06 0.22 -1.64 0.00 0.00 178.16 177.24 3h59 h ASP 177 N 0.66 0.72 0.21 -2.11 3.58 -1.81 -1.97 116.42 115.70 3h59 h ASP 177 Ca 0.18 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3h59 h ASP 177 Cb -0.02 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 3h59 h ASP 177 CO -0.03 0.80 -0.22 0.58 -2.88 0.00 0.00 179.24 177.49 3h59 h VAL 178 N 0.61 0.52 0.00 2.25 2.07 -1.76 -1.70 116.25 118.22 3h59 h VAL 178 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3h59 h VAL 178 Cb 0.40 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3h59 h VAL 178 CO 0.01 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.23 3h59 h VAL 179 N -0.47 0.00 0.05 2.57 -1.51 -1.00 0.83 116.25 116.71 3h59 h VAL 179 Ca 0.00 -0.54 -0.26 0.00 -1.23 0.00 0.00 66.70 64.68 3h59 h VAL 179 Cb 0.45 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 3h59 h VAL 179 CO -0.06 0.00 -1.28 0.28 -1.23 0.00 0.00 177.57 175.28 3h59 h SER 180 N 0.00 0.15 0.00 4.19 0.02 -1.23 -3.42 113.55 113.26 3h59 h SER 180 Ca 0.00 -0.19 -0.27 0.00 -0.84 0.00 0.00 61.79 60.49 3h59 h SER 180 Cb 0.66 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 3h59 h SER 180 CO 0.00 1.15 -2.03 0.41 -1.14 0.00 0.00 176.83 175.23 3h59 n THR 181 N -3.35 1.03 -0.03 -2.27 -1.04 -0.65 -4.57 114.28 103.40 3h59 n THR 181 Ca -0.08 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 3h59 n THR 181 Cb 1.00 -1.11 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 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 0.18 -0.93 -4.42 5.85 -1.05 -3.22 115.31 111.72 3h59 h LEU 182 Ca -0.40 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.17 3h59 h LEU 182 Cb 1.64 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 3h59 h LEU 182 CO -0.06 0.33 0.59 -0.65 -0.34 0.00 0.00 178.44 178.31 3h59 h PRO 183 N 0.02 1.05 -0.10 5.25 0.11 -1.82 -0.87 132.00 135.63 3h59 h PRO 183 Ca 0.04 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3h59 h PRO 183 Cb 0.22 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3h59 h PRO 183 CO -0.00 0.69 -0.40 0.37 -0.21 0.00 0.00 178.00 178.45 3h59 h GLN 184 N 1.08 0.22 -0.52 1.05 -0.00 -1.88 -0.08 115.11 114.98 3h59 h GLN 184 Ca 0.40 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.65 58.87 3h59 h GLN 184 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 3h59 h GLN 184 CO -0.17 0.59 0.02 0.28 0.00 0.00 0.00 178.83 179.56 3h59 h VAL 185 N 0.19 1.26 0.00 2.39 2.07 -1.30 0.21 116.25 121.07 3h59 h VAL 185 Ca 0.02 -1.06 -0.22 0.00 0.82 0.00 0.00 66.70 66.26 3h59 h VAL 185 Cb 0.79 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3h59 h VAL 185 CO 0.06 0.37 -0.94 0.58 0.02 0.00 0.00 177.57 177.66 3h59 h VAL 186 N 0.77 1.41 0.00 2.57 2.07 -0.98 -3.38 116.25 118.72 3h59 h VAL 186 Ca 0.15 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3h59 h VAL 186 Cb 0.49 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3h59 h VAL 186 CO 0.02 0.74 -0.92 0.23 0.02 0.00 0.00 177.57 177.66 3h59 n MET 187 N -3.73 2.16 0.00 1.57 2.81 -0.06 -4.92 117.12 114.95 3h59 n MET 187 Ca -0.06 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3h59 n MET 187 Cb 0.84 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 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 1.52 3.26 0.21 3.03 0.00 0.74 -2.64 105.19 111.31 3h59 n GLY 188 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 2.80 0.00 0.90 1.61 4.64 -1.96 -2.00 113.55 119.54 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 -1.20 -0.87 0.00 0.00 176.83 174.76 3h59 n SER 190 N -2.59 0.73 -4.58 4.97 7.64 -1.08 -4.73 113.62 113.98 3h59 n SER 190 Ca 0.00 0.65 -0.42 0.00 1.01 0.00 0.00 58.87 60.11 3h59 n SER 190 Cb 0.18 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 3h59 n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3h59 s TYR 191 N -3.28 2.48 0.44 1.43 5.04 -0.75 -0.66 117.35 122.05 3h59 s TYR 191 Ca 0.05 0.40 0.14 0.00 -2.44 0.00 0.00 57.07 55.22 3h59 s TYR 191 Cb 0.10 -4.49 0.99 0.00 0.35 0.00 0.00 41.96 38.91 3h59 s TYR 191 CO 0.44 -1.74 1.99 0.78 -1.34 0.00 0.00 175.55 175.68 3h59 h GLY 192 N 12.36 0.04 1.15 8.97 0.00 -1.23 -3.19 103.07 121.16 3h59 h GLY 192 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3h59 h GLY 192 CO 1.19 0.02 -0.02 0.69 0.00 0.00 0.00 176.54 178.42 3h59 n PHE 193 N -4.33 0.00 1.11 5.60 3.72 -1.26 -2.39 117.46 119.91 3h59 n PHE 193 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3h59 n PHE 193 Cb 0.23 -0.14 0.63 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.06 0.20 -4.00 -1.08 10.64 -1.21 -3.55 117.38 117.32 3h59 n GLN 194 Ca 0.18 0.04 -0.35 0.00 -1.83 0.00 0.00 57.00 55.04 3h59 n GLN 194 Cb 0.20 -1.50 -0.11 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 -2.78 3.16 1.10 2.61 2.02 -1.00 -4.76 117.35 117.71 3h59 s TYR 195 Ca 0.20 -0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.64 3h59 s TYR 195 Cb 0.18 -2.11 0.22 0.00 -0.40 0.00 0.00 41.96 39.85 3h59 s TYR 195 CO 0.45 -0.03 0.87 -1.13 -1.57 0.00 0.00 175.55 174.14 3h59 n SER 196 N 3.94 -1.42 -0.30 2.29 3.41 -1.26 -4.70 113.62 115.58 3h59 n SER 196 Ca -0.17 -0.01 0.03 0.00 -0.26 0.00 0.00 58.87 58.46 3h59 n SER 196 Cb 0.52 -1.26 0.17 0.00 -0.26 0.00 0.00 64.21 63.38 3h59 n SER 196 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3h59 h PRO 197 N -2.38 0.83 -0.73 4.33 0.11 -1.92 -0.65 132.00 131.58 3h59 h PRO 197 Ca -0.56 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 3h59 h PRO 197 Cb 1.32 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3h59 h PRO 197 CO 0.45 0.55 0.40 0.78 -0.21 0.00 0.00 178.00 179.97 3h59 h GLY 198 N 0.85 1.09 1.28 -0.55 0.00 -1.76 -0.82 103.07 103.16 3h59 h GLY 198 Ca 0.40 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 3h59 h GLY 198 CO -0.23 0.47 -0.17 1.46 0.00 0.00 0.00 176.54 178.06 3h59 h GLN 199 N 1.01 0.84 -0.29 4.80 4.20 -1.76 -2.20 115.11 121.70 3h59 h GLN 199 Ca 0.26 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3h59 h GLN 199 Cb 0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3h59 h GLN 199 CO -0.04 0.95 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.86 3h59 h ARG 200 N 0.74 0.58 -0.65 1.46 2.43 -0.80 -0.56 114.38 117.58 3h59 h ARG 200 Ca 0.11 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 3h59 h ARG 200 Cb 0.69 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3h59 h ARG 200 CO 0.05 0.81 0.08 0.28 -1.51 0.00 0.00 179.97 179.68 3h59 h VAL 201 N 0.33 1.26 -0.24 0.20 2.07 -1.20 -1.85 116.25 116.83 3h59 h VAL 201 Ca 0.07 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3h59 h VAL 201 Cb 0.62 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3h59 h VAL 201 CO 0.04 0.39 0.04 -0.08 0.02 0.00 0.00 177.57 177.98 3h59 h GLU 202 N 1.01 0.13 -0.75 1.57 4.81 -1.20 -1.08 114.58 119.06 3h59 h GLU 202 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3h59 h GLU 202 Cb 0.46 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3h59 h GLU 202 CO 0.02 0.08 0.26 0.35 -0.73 0.00 0.00 179.01 178.99 3h59 h PHE 203 N 0.13 1.19 -0.44 0.92 3.57 -0.95 0.21 116.94 121.57 3h59 h PHE 203 Ca 0.11 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3h59 h PHE 203 Cb 0.11 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3h59 h PHE 203 CO -0.16 0.92 0.00 -0.07 -2.23 0.00 0.00 178.31 176.78 3h59 h LEU 204 N 1.11 0.76 -0.12 0.59 3.38 -1.03 -1.08 115.31 118.93 3h59 h LEU 204 Ca 0.25 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3h59 h LEU 204 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h59 h LEU 204 CO -0.01 0.88 -0.39 0.58 0.09 0.00 0.00 178.44 179.59 3h59 h VAL 205 N 0.62 1.38 -0.59 1.22 2.07 -1.07 -1.32 116.25 118.56 3h59 h VAL 205 Ca 0.13 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 3h59 h VAL 205 Cb 0.49 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 3h59 h VAL 205 CO 0.02 0.51 0.18 0.78 0.02 0.00 0.00 177.57 179.08 3h59 h ASN 206 N 0.06 0.83 -0.21 0.57 2.35 -0.99 -1.02 115.58 117.17 3h59 h ASN 206 Ca -0.02 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3h59 h ASN 206 Cb 1.02 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3h59 h ASN 206 CO 0.08 0.78 0.02 0.74 -1.65 0.00 0.00 177.43 177.40 3h59 h THR 207 N 0.87 1.24 -0.14 2.81 2.02 -1.23 -1.79 112.91 116.70 3h59 h THR 207 Ca 0.19 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.58 3h59 h THR 207 Cb 0.26 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3h59 h THR 207 CO -0.01 0.25 -0.02 -0.25 0.37 0.00 0.00 175.52 175.86 3h59 h TRP 208 N 0.14 -0.05 0.00 3.16 2.91 -1.03 -2.45 115.95 118.63 3h59 h TRP 208 Ca 0.06 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 3h59 h TRP 208 Cb 0.36 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 3h59 h TRP 208 CO 0.03 -0.05 -0.07 0.87 -1.03 0.00 0.00 178.44 178.20 3h59 h LYS 209 N 0.01 0.00 0.00 2.65 1.57 -1.21 -2.71 116.57 116.88 3h59 h LYS 209 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3h59 h LYS 209 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3h59 h LYS 209 CO -0.13 0.07 0.00 -1.13 -0.57 0.00 0.00 179.45 177.69 3h59 n SER 210 N -3.31 0.00 -4.86 0.86 3.41 -0.67 -4.79 113.62 104.25 3h59 n SER 210 Ca -0.01 0.35 -0.36 0.00 -0.26 0.00 0.00 58.87 58.59 3h59 n SER 210 Cb 0.25 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.89 3.72 0.07 4.33 -0.14 -1.02 -5.02 119.74 118.80 3h59 s LYS 211 Ca 0.14 0.16 -0.25 0.00 -1.36 0.00 0.00 55.97 54.66 3h59 s LYS 211 Cb 0.15 -3.14 -0.16 0.00 -1.68 0.00 0.00 37.83 33.00 3h59 s LYS 211 CO 0.40 0.67 1.63 0.87 -0.76 0.00 0.00 175.35 178.16 3h59 h LYS 212 N 4.41 -0.19 -2.87 1.68 1.57 -1.88 -3.38 116.57 115.90 3h59 h LYS 212 Ca -0.51 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 57.67 3h59 h LYS 212 Cb 1.21 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 3h59 h LYS 212 CO 0.63 -0.06 -0.77 -0.80 -0.57 0.00 0.00 179.45 177.88 3h59 s ASN 213 N -5.09 3.41 0.24 0.86 0.01 -1.26 -5.09 114.94 108.02 3h59 s ASN 213 Ca -0.14 -2.63 -0.30 0.00 -0.71 0.00 0.00 52.86 49.08 3h59 s ASN 213 Cb 0.05 -0.89 -0.09 0.00 0.41 0.00 0.00 41.25 40.72 3h59 s ASN 213 CO 0.65 -0.26 1.34 -2.16 -1.51 0.00 0.00 177.10 175.16 3h59 s PRO 214 N 0.39 4.35 0.11 -0.60 0.04 -1.26 0.17 135.00 138.20 3h59 s PRO 214 Ca 0.19 2.15 0.07 0.00 0.04 0.00 0.00 61.00 63.46 3h59 s PRO 214 Cb -0.21 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 3h59 s PRO 214 CO -0.02 -0.28 -0.19 1.41 0.04 0.00 0.00 177.00 177.97 3h59 s MET 215 N -0.49 1.09 0.08 4.56 1.75 -0.20 -4.67 119.30 121.41 3h59 s MET 215 Ca 0.56 -1.18 -0.11 0.00 -1.25 0.00 0.00 55.69 53.71 3h59 s MET 215 Cb -0.39 -1.23 0.01 0.00 2.84 0.00 0.00 34.83 36.06 3h59 s MET 215 CO 0.42 0.27 0.25 0.20 -0.65 0.00 0.00 175.02 175.51 3h59 s GLY 216 N -2.07 -0.02 -0.08 2.11 0.00 -0.60 -0.63 107.32 106.02 3h59 s GLY 216 Ca 0.07 -0.36 -0.28 0.00 0.00 0.00 0.00 44.72 44.15 3h59 s GLY 216 CO 0.04 -0.56 0.64 -0.11 0.00 0.00 0.00 173.10 173.11 3h59 s PHE 217 N -3.43 -0.63 0.03 1.90 -0.71 0.15 -0.36 117.98 114.92 3h59 s PHE 217 Ca 0.01 1.17 -0.12 0.00 -1.04 0.00 0.00 56.93 56.96 3h59 s PHE 217 Cb 0.02 0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 3h59 s PHE 217 CO -0.09 -0.54 0.39 -1.54 -1.34 0.00 0.00 175.22 172.10 3h59 s SER 218 N -0.92 6.71 -0.22 1.98 1.04 -1.26 -0.04 113.70 120.99 3h59 s SER 218 Ca -0.09 0.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 3h59 s SER 218 Cb -0.01 -2.21 -0.00 0.00 0.10 0.00 0.00 66.02 63.90 3h59 s SER 218 CO 0.08 0.27 -0.07 -0.47 0.98 0.00 0.00 173.24 174.03 3h59 s TYR 219 N -1.21 2.94 -0.61 5.02 5.04 -0.59 -4.62 117.35 123.31 3h59 s TYR 219 Ca 0.27 -1.11 -0.19 0.00 -2.44 0.00 0.00 57.07 53.60 3h59 s TYR 219 Cb -0.15 -2.07 0.11 0.00 0.35 0.00 0.00 41.96 40.19 3h59 s TYR 219 CO 0.15 -0.61 0.73 0.34 -1.34 0.00 0.00 175.55 174.81 3h59 s ASP 220 N 1.43 6.22 0.23 4.32 2.15 -1.26 -4.17 116.67 125.59 3h59 s ASP 220 Ca 0.05 -1.51 -0.30 0.00 0.43 0.00 0.00 52.55 51.23 3h59 s ASP 220 Cb -0.14 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.09 3h59 s ASP 220 CO -0.05 -1.10 1.10 -0.89 -0.17 0.00 0.00 175.17 174.07 3h59 s THR 221 N 2.60 3.65 -0.45 1.71 2.01 -1.26 -1.59 115.64 122.31 3h59 s THR 221 Ca 0.13 1.54 -0.28 0.00 0.31 0.00 0.00 61.69 63.38 3h59 s THR 221 Cb -0.23 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.31 3h59 s THR 221 CO 0.05 0.32 1.48 -0.60 -0.69 0.00 0.00 174.62 175.17 3h59 s ARG 222 N -0.93 3.43 -0.70 4.92 3.52 -0.49 -4.20 118.95 124.50 3h59 s ARG 222 Ca 0.47 0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 56.84 3h59 s ARG 222 Cb -0.31 -4.09 0.01 0.00 -1.56 0.00 0.00 34.95 29.00 3h59 s ARG 222 CO 0.38 -1.75 0.64 0.00 -0.81 0.00 0.00 175.30 173.76 3h59 h PHE 224 N 0.57 -0.08 -0.73 0.00 3.04 -1.97 -2.09 116.94 115.68 3h59 h PHE 224 Ca -0.34 0.03 0.14 0.00 3.98 0.00 0.00 57.97 61.78 3h59 h PHE 224 Cb 1.22 0.09 -0.10 0.00 2.56 0.00 0.00 35.95 39.73 3h59 h PHE 224 CO 0.17 -0.10 0.27 -0.44 -2.02 0.00 0.00 178.31 176.19 3h59 h ASP 225 N 0.07 0.22 0.80 0.41 3.32 -1.90 0.10 116.42 119.44 3h59 h ASP 225 Ca 0.18 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3h59 h ASP 225 Cb 0.27 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3h59 h ASP 225 CO -0.34 0.08 -0.13 0.28 -1.72 0.00 0.00 179.24 177.41 3h59 h SER 226 N 0.40 0.00 1.42 6.45 0.02 -1.67 -2.47 113.55 117.69 3h59 h SER 226 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3h59 h SER 226 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3h59 h SER 226 CO -0.41 0.13 0.00 0.71 -1.14 0.00 0.00 176.83 176.12 3h59 h THR 227 N 0.00 0.00 -2.91 -2.27 1.35 -0.60 -3.45 112.91 105.03 3h59 h THR 227 Ca -0.00 -0.58 -0.57 0.00 -0.55 0.00 0.00 66.41 64.71 3h59 h THR 227 Cb 0.57 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 3h59 h THR 227 CO 0.02 0.00 0.90 -0.69 -0.25 0.00 0.00 175.52 175.49 3h59 s VAL 228 N -3.25 4.24 0.50 6.82 1.01 -1.05 -4.81 120.40 123.86 3h59 s VAL 228 Ca 0.07 1.50 0.09 0.00 0.00 0.00 0.00 61.98 63.64 3h59 s VAL 228 Cb 0.09 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.55 3h59 s VAL 228 CO 0.57 -0.12 0.69 0.42 0.00 0.00 0.00 175.10 176.66 3h59 s THR 229 N 3.41 2.56 0.20 3.92 -4.23 -1.26 -3.84 115.64 116.39 3h59 s THR 229 Ca 0.56 -0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 3h59 s THR 229 Cb -0.23 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.17 3h59 s THR 229 CO 0.16 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.99 3h59 h GLU 230 N 0.39 0.71 -0.57 3.99 4.81 -1.87 -1.98 114.58 120.05 3h59 h GLU 230 Ca -0.35 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 58.96 3h59 h GLU 230 Cb 1.28 -0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 3h59 h GLU 230 CO 0.43 0.47 -0.07 -0.97 -0.73 0.00 0.00 179.01 178.13 3h59 h ASN 231 N 0.73 -0.40 -0.62 1.04 -1.24 -1.97 -0.38 115.58 112.74 3h59 h ASN 231 Ca 0.26 0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.43 3h59 h ASN 231 Cb 0.06 0.30 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 3h59 h ASN 231 CO -0.12 -0.15 0.41 0.44 -1.29 0.00 0.00 177.43 176.72 3h59 h ASP 232 N 0.05 0.72 0.12 1.15 3.32 -1.78 0.19 116.42 120.19 3h59 h ASP 232 Ca 0.29 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 3h59 h ASP 232 Cb 0.45 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3h59 h ASP 232 CO -0.54 0.52 -0.75 0.40 -1.72 0.00 0.00 179.24 177.15 3h59 h ILE 233 N 0.84 1.34 -0.42 0.35 2.04 -0.77 -0.04 117.51 120.86 3h59 h ILE 233 Ca 0.23 -2.09 -0.10 0.00 1.00 0.00 0.00 64.86 63.91 3h59 h ILE 233 Cb -0.09 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3h59 h ILE 233 CO -0.05 0.64 -0.13 0.03 0.00 0.00 0.00 178.15 178.63 3h59 h ARG 234 N 0.36 0.77 -0.65 2.37 3.08 -0.91 -2.32 114.38 117.08 3h59 h ARG 234 Ca -0.04 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 3h59 h ARG 234 Cb 1.34 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 3h59 h ARG 234 CO 0.14 0.87 0.09 0.28 -1.07 0.00 0.00 179.97 180.27 3h59 h VAL 235 N 0.70 1.26 -0.43 2.04 2.07 -0.61 -1.71 116.25 119.57 3h59 h VAL 235 Ca 0.11 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3h59 h VAL 235 Cb 0.62 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3h59 h VAL 235 CO 0.04 0.39 0.22 -0.33 0.02 0.00 0.00 177.57 177.91 3h59 h GLU 236 N 1.01 0.43 -0.60 1.57 5.08 -0.89 -2.39 114.58 118.79 3h59 h GLU 236 Ca 0.20 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3h59 h GLU 236 Cb 0.46 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3h59 h GLU 236 CO 0.02 0.28 0.38 1.49 -1.00 0.00 0.00 179.01 180.18 3h59 h GLU 237 N 0.44 0.75 -0.66 2.33 4.22 -1.21 -1.10 114.58 119.35 3h59 h GLU 237 Ca 0.18 -0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.67 3h59 h GLU 237 Cb 0.08 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3h59 h GLU 237 CO -0.12 0.49 0.44 0.66 -2.18 0.00 0.00 179.01 178.30 3h59 h SER 238 N 0.77 0.47 -0.12 1.04 4.64 -1.07 -0.70 113.55 118.58 3h59 h SER 238 Ca 0.23 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3h59 h SER 238 Cb -0.04 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3h59 h SER 238 CO -0.07 0.29 -0.21 0.40 -0.87 0.00 0.00 176.83 176.37 3h59 h ILE 239 N 0.53 1.37 -0.98 0.95 2.04 -0.82 -2.93 117.51 117.68 3h59 h ILE 239 Ca 0.30 -1.46 0.05 0.00 1.00 0.00 0.00 64.86 64.75 3h59 h ILE 239 Cb 0.47 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 3h59 h ILE 239 CO -0.09 0.43 0.63 1.88 0.00 0.00 0.00 178.15 181.00 3h59 h TYR 240 N -0.05 1.18 0.00 1.37 0.05 -0.83 -2.48 116.97 116.21 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 0.79 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3h59 h TYR 240 CO 0.10 0.65 0.00 1.04 -1.05 0.00 0.00 178.16 178.90 3h59 n GLN 241 N -4.49 0.21 0.23 4.88 1.13 -0.31 -1.56 117.38 117.48 3h59 n GLN 241 Ca 0.14 0.33 0.07 0.00 -1.94 0.00 0.00 57.00 55.60 3h59 n GLN 241 Cb 0.13 -1.83 0.55 0.00 0.11 0.00 0.00 30.24 29.20 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 -1.73 6.27 0.07 0.00 -1.08 0.79 -4.98 116.67 116.01 3h59 s ASP 244 Ca 0.78 0.71 0.05 0.00 -0.52 0.00 0.00 52.55 53.57 3h59 s ASP 244 Cb -0.33 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.56 3h59 s ASP 244 CO 0.42 -1.51 -0.15 -0.76 0.52 0.00 0.00 175.17 173.69 3h59 s LEU 245 N 5.63 2.27 0.49 -1.34 1.43 -1.26 -1.49 118.68 124.41 3h59 s LEU 245 Ca 0.60 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3h59 s LEU 245 Cb -0.13 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 3h59 s LEU 245 CO 0.31 -0.05 1.33 0.00 0.23 0.00 0.00 176.35 178.18 3h59 s ALA 246 N -1.21 3.00 0.43 4.21 0.00 -1.26 -4.82 121.76 122.11 3h59 s ALA 246 Ca -0.01 1.29 0.12 0.00 0.00 0.00 0.00 51.96 53.36 3h59 s ALA 246 Cb -0.10 -3.53 0.99 0.00 0.00 0.00 0.00 23.12 20.48 3h59 s ALA 246 CO 0.02 -1.14 2.01 -1.35 0.00 0.00 0.00 175.76 175.30 3h59 h PRO 247 N 1.92 0.42 -0.66 0.00 0.11 -2.01 -0.37 132.00 131.42 3h59 h PRO 247 Ca -0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3h59 h PRO 247 Cb 1.28 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3h59 h PRO 247 CO 0.59 0.28 0.28 0.93 -0.21 0.00 0.00 178.00 179.87 3h59 h GLU 248 N 0.44 0.98 -0.11 1.05 5.08 -2.00 -2.53 114.58 117.49 3h59 h GLU 248 Ca 0.23 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3h59 h GLU 248 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3h59 h GLU 248 CO -0.06 0.81 0.02 0.00 -1.00 0.00 0.00 179.01 178.78 3h59 h ALA 249 N 1.12 0.11 -0.79 3.43 0.00 -1.46 -0.67 119.26 121.00 3h59 h ALA 249 Ca 0.22 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.27 3h59 h ALA 249 Cb 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3h59 h ALA 249 CO -0.02 -0.43 0.40 0.00 0.00 0.00 0.00 179.25 179.20 3h59 h ARG 250 N 0.07 0.61 -0.27 0.00 3.08 -1.30 -1.00 114.38 115.58 3h59 h ARG 250 Ca 0.05 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3h59 h ARG 250 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3h59 h ARG 250 CO -0.06 0.40 -0.12 0.37 -1.07 0.00 0.00 179.97 179.50 3h59 h GLN 251 N 0.63 0.55 -0.17 0.04 5.75 -0.99 -2.12 115.11 118.80 3h59 h GLN 251 Ca 0.41 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 3h59 h GLN 251 Cb 0.51 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3h59 h GLN 251 CO -0.32 0.79 -0.26 0.00 -2.65 0.00 0.00 178.83 176.40 3h59 h ALA 252 N 0.74 1.25 -0.22 3.38 0.00 -0.84 -1.26 119.26 122.32 3h59 h ALA 252 Ca 0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3h59 h ALA 252 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h59 h ALA 252 CO 0.04 0.50 -0.40 0.82 0.00 0.00 0.00 179.25 180.20 3h59 h ILE 253 N 0.28 1.32 -0.32 0.00 2.04 -1.10 0.57 117.51 120.29 3h59 h ILE 253 Ca 0.04 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.28 3h59 h ILE 253 Cb 0.61 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3h59 h ILE 253 CO 0.04 0.51 0.19 0.50 0.00 0.00 0.00 178.15 179.39 3h59 h LYS 254 N 0.36 0.43 -0.08 2.37 3.64 -1.20 -1.23 116.57 120.86 3h59 h LYS 254 Ca 0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3h59 h LYS 254 Cb 1.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3h59 h LYS 254 CO 0.09 0.32 0.02 1.03 -2.27 0.00 0.00 179.45 178.64 3h59 h SER 255 N 0.41 0.12 -0.98 4.20 0.87 -1.21 -0.81 113.55 116.15 3h59 h SER 255 Ca 0.11 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3h59 h SER 255 Cb 0.00 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 3h59 h SER 255 CO -0.02 0.31 0.64 -0.07 -0.53 0.00 0.00 176.83 177.17 3h59 h LEU 256 N -0.08 1.08 -0.00 2.23 3.38 -0.85 -0.45 115.31 120.62 3h59 h LEU 256 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h59 h LEU 256 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h59 h LEU 256 CO 0.00 0.74 0.00 0.74 0.09 0.00 0.00 178.44 180.01 3h59 h THR 257 N 1.25 1.11 -0.62 0.22 2.02 -1.07 0.15 112.91 115.98 3h59 h THR 257 Ca 0.39 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 3h59 h THR 257 Cb -0.01 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3h59 h THR 257 CO -0.12 0.09 0.05 -0.33 0.37 0.00 0.00 175.52 175.57 3h59 h GLU 258 N -0.14 1.05 0.00 6.66 4.39 -0.79 -1.72 114.58 124.03 3h59 h GLU 258 Ca 0.00 -0.30 -0.21 0.00 0.34 0.00 0.00 59.36 59.19 3h59 h GLU 258 Cb 0.14 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3h59 h GLU 258 CO -0.00 1.00 -2.10 0.54 -1.16 0.00 0.00 179.01 177.29 3h59 n ARG 259 N -4.20 0.67 0.04 2.33 1.74 -0.21 -4.68 116.66 112.35 3h59 n ARG 259 Ca 0.04 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3h59 n ARG 259 Cb 0.32 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.60 0.62 -0.23 0.55 7.94 0.02 -0.51 117.00 122.79 3h59 n LEU 260 Ca -0.19 0.12 -0.08 0.00 -1.11 0.00 0.00 56.01 54.75 3h59 n LEU 260 Cb 0.90 -0.16 0.03 0.00 0.53 0.00 0.00 43.42 44.73 3h59 n LEU 260 CO 0.44 -0.67 0.96 1.88 -1.11 0.00 0.00 177.39 178.89 3h59 h TYR 261 N 0.00 1.01 -0.24 1.96 0.05 -0.73 -2.76 116.97 116.26 3h59 h TYR 261 Ca 0.00 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 3h59 h TYR 261 Cb 0.00 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 3h59 h TYR 261 CO 0.00 0.83 -0.09 0.82 -1.05 0.00 0.00 178.16 178.67 3h59 h ILE 262 N 0.91 1.20 0.00 -2.88 2.04 -1.57 -3.42 117.51 113.79 3h59 h ILE 262 Ca 0.20 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3h59 h ILE 262 Cb 0.29 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3h59 h ILE 262 CO -0.01 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.02 3h59 n GLY 263 N -0.82 -0.07 0.00 5.37 0.00 -1.04 -4.12 105.19 104.50 3h59 n GLY 263 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.92 1.57 3.77 -0.02 0.00 -0.74 -4.14 105.19 104.71 3h59 n GLY 264 Ca 0.00 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 3.91 -0.21 1.61 0.04 -1.26 -1.15 135.00 135.94 3h59 s PRO 265 Ca 0.00 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 3h59 s PRO 265 Cb 0.00 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3h59 s PRO 265 CO 0.00 -0.43 0.04 -0.51 0.04 0.00 0.00 177.00 176.13 3h59 s LEU 266 N -2.77 3.46 -0.02 -3.56 1.43 0.39 -2.98 118.68 114.62 3h59 s LEU 266 Ca 0.60 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.66 3h59 s LEU 266 Cb -0.29 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3h59 s LEU 266 CO 0.36 0.07 -0.25 -0.89 0.23 0.00 0.00 176.35 175.87 3h59 s THR 267 N 0.99 1.97 0.76 5.49 2.01 -0.36 0.35 115.64 126.84 3h59 s THR 267 Ca 0.03 -1.07 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 3h59 s THR 267 Cb -0.14 -1.64 0.10 0.00 0.01 0.00 0.00 72.50 70.83 3h59 s THR 267 CO 0.02 0.56 1.07 0.54 -0.69 0.00 0.00 174.62 176.12 3h59 s ASN 268 N -0.57 4.36 0.67 3.53 2.20 0.01 -1.08 114.94 124.07 3h59 s ASN 268 Ca 0.09 0.23 0.43 0.00 -0.94 0.00 0.00 52.86 52.67 3h59 s ASN 268 Cb -0.10 -0.69 2.36 0.00 -2.00 0.00 0.00 41.25 40.82 3h59 s ASN 268 CO -0.01 -1.89 2.33 0.77 -2.94 0.00 0.00 177.10 175.37 3h59 h SER 269 N -0.79 0.00 -0.30 3.54 4.64 -1.78 -0.79 113.55 118.07 3h59 h SER 269 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3h59 h SER 269 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3h59 h SER 269 CO 0.51 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.76 3h59 n LYS 270 N -3.06 1.98 -0.88 4.77 5.02 -1.26 -4.93 118.16 119.79 3h59 n LYS 270 Ca -0.03 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 3h59 n LYS 270 Cb 0.10 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.23 0.68 3.81 0.72 0.00 -0.30 -5.04 105.19 106.28 3h59 n GLY 271 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.12 4.31 -0.07 1.61 -0.21 -1.26 -4.79 119.66 119.14 3h59 s GLN 272 Ca 0.00 0.91 -0.30 0.00 0.02 0.00 0.00 55.36 55.99 3h59 s GLN 272 Cb 0.00 -3.02 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 3h59 s GLN 272 CO 0.00 0.48 1.60 1.21 -2.12 0.00 0.00 175.29 176.45 3h59 s ASN 273 N -1.45 6.71 -0.00 5.90 3.04 -1.26 -0.81 114.94 127.06 3h59 s ASN 273 Ca 0.39 2.16 0.22 0.00 0.04 0.00 0.00 52.86 55.68 3h59 s ASN 273 Cb -0.19 -2.54 -0.30 0.00 -1.54 0.00 0.00 41.25 36.69 3h59 s ASN 273 CO 0.22 -0.90 0.56 0.00 -3.04 0.00 0.00 177.10 173.94 3h59 n GLY 275 N 1.26 -0.01 3.10 0.00 0.00 -1.17 -1.41 105.19 106.95 3h59 n GLY 275 Ca -0.03 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.35 -0.12 1.61 5.04 -0.15 -0.46 117.35 118.91 3h59 s TYR 276 Ca 0.00 0.83 -0.06 0.00 -2.44 0.00 0.00 57.07 55.40 3h59 s TYR 276 Cb 0.00 0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.36 3h59 s TYR 276 CO 0.00 -0.22 0.10 0.50 -1.34 0.00 0.00 175.55 174.59 3h59 s ARG 277 N 1.01 3.45 -0.10 4.97 3.52 -0.30 -1.10 118.95 130.41 3h59 s ARG 277 Ca -0.07 -0.22 0.20 0.00 -0.13 0.00 0.00 55.73 55.51 3h59 s ARG 277 Cb -0.08 -3.12 0.44 0.00 -1.56 0.00 0.00 34.95 30.62 3h59 s ARG 277 CO -0.07 0.68 1.18 0.54 -0.81 0.00 0.00 175.30 176.82 3h59 n ARG 278 N 2.29 0.80 -1.82 5.12 1.74 -0.32 -1.79 116.66 122.67 3h59 n ARG 278 Ca -0.19 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 3h59 n ARG 278 Cb 0.54 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 3h59 n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h59 s ARG 280 N -1.74 4.16 0.02 0.00 6.06 -0.96 -4.62 118.95 121.88 3h59 s ARG 280 Ca 0.00 2.50 -0.30 0.00 -2.50 0.00 0.00 55.73 55.43 3h59 s ARG 280 Cb 0.00 -3.10 -0.05 0.00 0.06 0.00 0.00 34.95 31.86 3h59 s ARG 280 CO 0.00 -0.68 1.19 0.00 -2.50 0.00 0.00 175.30 173.31 3h59 s ALA 281 N 1.06 3.41 -0.58 6.12 0.00 -1.26 -4.75 121.76 125.76 3h59 s ALA 281 Ca 0.72 0.75 0.25 0.00 0.00 0.00 0.00 51.96 53.68 3h59 s ALA 281 Cb -0.47 -3.46 0.88 0.00 0.00 0.00 0.00 23.12 20.06 3h59 s ALA 281 CO 0.33 -0.53 1.75 0.66 0.00 0.00 0.00 175.76 177.97 3h59 h SER 282 N 7.03 0.00 -1.39 0.00 4.64 -1.92 -3.37 113.55 118.55 3h59 h SER 282 Ca -0.39 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.38 3h59 h SER 282 Cb 1.20 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.87 3h59 h SER 282 CO 0.83 0.00 -0.81 0.61 -0.87 0.00 0.00 176.83 176.59 3h59 n GLY 283 N 0.74 5.34 3.35 -0.77 0.00 0.20 -4.23 105.19 109.83 3h59 n GLY 283 Ca 0.04 -2.53 -0.19 0.00 0.00 0.00 0.00 46.02 43.34 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 -5.12 1.58 0.25 1.61 -7.23 -1.12 -4.32 120.40 106.04 3h59 s VAL 284 Ca 0.45 -2.15 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 3h59 s VAL 284 Cb 0.41 -2.16 0.22 0.00 0.56 0.00 0.00 36.38 35.41 3h59 s VAL 284 CO -0.14 -0.51 1.85 0.25 -0.31 0.00 0.00 175.10 176.24 3h59 h LEU 285 N 2.50 0.85 -0.11 1.32 5.85 -1.80 -2.72 115.31 121.19 3h59 h LEU 285 Ca -0.38 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3h59 h LEU 285 Cb 1.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3h59 h LEU 285 CO 0.64 0.53 0.00 0.35 -0.34 0.00 0.00 178.44 179.62 3h59 n THR 286 N -4.62 0.01 -0.10 1.05 -2.24 -1.26 -4.26 114.28 102.86 3h59 n THR 286 Ca 0.13 -0.03 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 3h59 n THR 286 Cb 0.19 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.25 0.84 -0.14 4.28 2.02 -1.73 0.32 112.91 118.75 3h59 h THR 287 Ca 0.00 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3h59 h THR 287 Cb 0.05 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3h59 h THR 287 CO 0.00 0.04 -0.19 -1.28 0.37 0.00 0.00 175.52 174.46 3h59 h SER 288 N 0.21 0.40 -0.22 4.18 0.87 -1.74 -1.44 113.55 115.81 3h59 h SER 288 Ca 0.17 -0.51 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 3h59 h SER 288 Cb 0.18 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3h59 h SER 288 CO -0.21 0.84 -0.23 0.00 -0.53 0.00 0.00 176.83 176.70 3h59 h GLY 290 N 0.22 0.54 1.19 0.00 0.00 -0.44 -0.60 103.07 103.99 3h59 h GLY 290 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3h59 h GLY 290 CO 0.06 0.25 0.19 3.43 0.00 0.00 0.00 176.54 180.46 3h59 h ASN 291 N 0.44 0.95 0.05 0.19 2.35 -1.22 -1.31 115.58 117.03 3h59 h ASN 291 Ca 0.12 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3h59 h ASN 291 Cb 0.10 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3h59 h ASN 291 CO -0.02 0.89 -0.03 0.74 -1.65 0.00 0.00 177.43 177.37 3h59 h THR 292 N 0.98 1.13 -0.54 2.81 2.02 -0.89 -0.33 112.91 118.08 3h59 h THR 292 Ca 0.21 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.83 3h59 h THR 292 Cb 0.30 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 3h59 h THR 292 CO -0.01 0.16 0.26 -0.07 0.37 0.00 0.00 175.52 176.23 3h59 h LEU 293 N -0.34 0.37 -0.33 2.58 3.38 -1.02 -0.54 115.31 119.41 3h59 h LEU 293 Ca -0.01 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 3h59 h LEU 293 Cb 0.31 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3h59 h LEU 293 CO 0.01 0.25 -0.76 0.74 0.09 0.00 0.00 178.44 178.77 3h59 h THR 294 N 0.51 1.36 0.12 0.22 2.02 -1.18 -0.05 112.91 115.91 3h59 h THR 294 Ca 0.24 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 3h59 h THR 294 Cb 0.18 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 3h59 h THR 294 CO -0.18 0.65 -0.06 0.00 0.37 0.00 0.00 175.52 176.30 3h59 h TYR 296 N -0.27 0.58 -0.09 0.00 5.03 -0.97 0.08 116.97 121.34 3h59 h TYR 296 Ca -0.02 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.34 3h59 h TYR 296 Cb 0.22 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 3h59 h TYR 296 CO -0.03 0.36 -0.11 1.25 -1.32 0.00 0.00 178.16 178.30 3h59 h LEU 297 N 0.63 -0.35 -0.21 2.82 5.85 -1.01 0.60 115.31 123.64 3h59 h LEU 297 Ca 0.18 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3h59 h LEU 297 Cb -0.04 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3h59 h LEU 297 CO -0.06 -0.16 -0.10 0.11 -0.34 0.00 0.00 178.44 177.90 3h59 h LYS 298 N -0.15 0.43 -0.37 1.25 1.57 -1.26 -2.22 116.57 115.82 3h59 h LYS 298 Ca 0.07 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 3h59 h LYS 298 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3h59 h LYS 298 CO -0.18 0.72 -0.08 0.00 -0.57 0.00 0.00 179.45 179.34 3h59 h ALA 299 N 0.70 0.51 -0.06 3.86 0.00 -0.98 -0.73 119.26 122.56 3h59 h ALA 299 Ca 0.05 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3h59 h ALA 299 Cb 0.59 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3h59 h ALA 299 CO 0.03 0.36 -0.11 0.77 0.00 0.00 0.00 179.25 180.30 3h59 h SER 300 N 0.51 -0.34 -1.00 0.00 0.02 -0.88 0.14 113.55 112.01 3h59 h SER 300 Ca 0.09 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3h59 h SER 300 Cb 0.59 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 3h59 h SER 300 CO 0.04 -0.15 0.66 0.00 -1.14 0.00 0.00 176.83 176.23 3h59 h ALA 301 N 0.86 1.29 -0.31 3.77 0.00 -1.40 -2.63 119.26 120.86 3h59 h ALA 301 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h59 h ALA 301 Cb 0.25 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h59 h ALA 301 CO -0.16 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.76 3h59 h ALA 302 N 1.39 1.55 -0.44 0.00 0.00 -0.61 -0.93 119.26 120.22 3h59 h ALA 302 Ca 0.38 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3h59 h ALA 302 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h59 h ALA 302 CO -0.10 0.34 -0.22 0.00 0.00 0.00 0.00 179.25 179.27 3h59 h ARG 304 N 0.78 0.49 -0.99 0.00 3.08 -1.32 -1.34 114.38 115.08 3h59 h ARG 304 Ca 0.10 -0.22 0.08 0.00 0.07 0.00 0.00 59.98 60.01 3h59 h ARG 304 Cb 0.77 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 3h59 h ARG 304 CO 0.06 0.77 0.63 0.00 -1.07 0.00 0.00 179.97 180.37 3h59 h ALA 305 N 0.71 1.40 -0.00 0.04 0.00 -1.06 -2.49 119.26 117.86 3h59 h ALA 305 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h59 h ALA 305 Cb 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h59 h ALA 305 CO 0.04 0.37 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 3h59 n ALA 306 N -2.36 2.46 -3.96 0.00 0.00 -0.09 -4.94 120.51 111.62 3h59 n ALA 306 Ca 0.16 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 3h59 n ALA 306 Cb 0.22 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.49 -4.06 -2.03 0.00 5.02 -0.59 -4.82 118.16 110.19 3h59 n LYS 307 Ca 0.07 0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 3h59 n LYS 307 Cb 0.34 -4.98 -0.02 0.00 -0.02 0.00 0.00 35.03 30.34 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 -7.05 4.39 -0.03 -0.35 1.02 -0.70 -5.00 118.68 110.96 3h59 s LEU 308 Ca 0.31 2.65 -0.18 0.00 0.02 0.00 0.00 54.13 56.92 3h59 s LEU 308 Cb -0.16 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.37 3h59 s LEU 308 CO 0.87 -0.68 0.52 -1.10 0.02 0.00 0.00 176.35 175.98 3h59 s GLN 309 N -0.46 4.23 -1.44 1.70 -1.52 -1.26 -4.42 119.66 116.49 3h59 s GLN 309 Ca 0.58 0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 54.54 3h59 s GLN 309 Cb -0.41 -3.33 0.03 0.00 -0.22 0.00 0.00 33.01 29.07 3h59 s GLN 309 CO 0.44 0.41 0.57 -3.47 -0.25 0.00 0.00 175.29 172.99 3h59 n ASP 310 N 2.70 -1.30 -4.73 5.90 -0.08 -1.26 -1.32 116.55 116.45 3h59 n ASP 310 Ca -0.09 -0.95 -0.42 0.00 -1.51 0.00 0.00 54.79 51.83 3h59 n ASP 310 Cb 0.51 -3.29 -0.02 0.00 2.34 0.00 0.00 41.12 40.66 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 0.50 1.83 0.02 0.00 2.01 0.14 -4.99 115.64 115.14 3h59 s THR 312 Ca 0.65 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3h59 s THR 312 Cb -0.44 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 3h59 s THR 312 CO 0.39 0.50 0.10 -0.04 -0.69 0.00 0.00 174.62 174.89 3h59 s MET 313 N 1.10 3.09 -0.17 4.92 -1.94 -1.26 -1.03 119.30 124.01 3h59 s MET 313 Ca -0.02 -0.51 -0.00 0.00 -1.71 0.00 0.00 55.69 53.45 3h59 s MET 313 Cb -0.14 -2.87 0.04 0.00 2.01 0.00 0.00 34.83 33.87 3h59 s MET 313 CO -0.06 0.63 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.35 3h59 s LEU 314 N -1.96 1.66 -0.15 -0.03 2.96 -0.64 -4.18 118.68 116.34 3h59 s LEU 314 Ca 0.26 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3h59 s LEU 314 Cb -0.12 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.64 3h59 s LEU 314 CO 0.17 -0.18 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.13 3h59 s VAL 315 N 1.61 2.21 -0.43 1.68 1.01 0.17 -2.10 120.40 124.55 3h59 s VAL 315 Ca 0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3h59 s VAL 315 Cb -0.15 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.46 3h59 s VAL 315 CO -0.08 0.54 0.20 0.20 0.00 0.00 0.00 175.10 175.96 3h59 s ASN 316 N 0.83 4.09 1.52 3.32 -0.87 0.21 -0.76 114.94 123.29 3h59 s ASN 316 Ca -0.06 -2.55 0.00 0.00 -1.57 0.00 0.00 52.86 48.68 3h59 s ASN 316 Cb -0.15 -1.30 0.00 0.00 -0.02 0.00 0.00 41.25 39.78 3h59 s ASN 316 CO -0.02 -0.29 0.00 0.61 -2.57 0.00 0.00 177.10 174.83 3h59 n GLY 317 N 3.69 3.69 0.00 0.66 0.00 -1.26 -0.32 105.19 111.65 3h59 n GLY 317 Ca 0.05 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 6.19 0.00 -4.64 1.61 5.75 -1.26 -3.89 116.55 120.31 3h59 n ASP 318 Ca 0.00 -0.44 -0.41 0.00 -0.01 0.00 0.00 54.79 53.93 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 6.75 -0.08 -1.12 -1.08 0.57 -4.72 116.67 114.63 3h59 s ASP 319 Ca 0.34 0.93 0.02 0.00 -0.52 0.00 0.00 52.55 53.32 3h59 s ASP 319 Cb 0.20 -2.40 0.01 0.00 -1.46 0.00 0.00 42.92 39.27 3h59 s ASP 319 CO 0.40 -0.46 -0.13 -0.22 0.52 0.00 0.00 175.17 175.28 3h59 s LEU 320 N 2.69 1.65 0.02 -1.34 2.96 -1.26 -0.62 118.68 122.79 3h59 s LEU 320 Ca 0.32 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3h59 s LEU 320 Cb -0.15 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 3h59 s LEU 320 CO 0.08 0.02 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.19 3h59 s VAL 321 N 0.83 1.99 -0.03 1.68 1.01 -0.89 -1.54 120.40 123.44 3h59 s VAL 321 Ca -0.11 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.70 3h59 s VAL 321 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3h59 s VAL 321 CO 0.02 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.67 3h59 s VAL 322 N -0.71 1.45 -0.07 2.92 1.01 0.94 -1.62 120.40 124.32 3h59 s VAL 322 Ca 0.10 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3h59 s VAL 322 Cb -0.10 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3h59 s VAL 322 CO 0.01 0.41 -0.22 -0.63 0.00 0.00 0.00 175.10 174.67 3h59 s ILE 323 N -0.10 1.87 0.32 2.22 1.01 -0.20 -0.68 121.20 125.64 3h59 s ILE 323 Ca -0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3h59 s ILE 323 Cb -0.10 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.77 3h59 s ILE 323 CO 0.01 0.52 0.52 0.00 0.00 0.00 0.00 174.94 175.99 3h59 s GLU 325 N -3.28 4.45 0.47 0.00 0.41 -0.43 -1.03 118.70 119.29 3h59 s GLU 325 Ca 0.26 1.51 -0.23 0.00 -0.41 0.00 0.00 54.97 56.10 3h59 s GLU 325 Cb -0.01 -3.49 -0.07 0.00 -1.78 0.00 0.00 34.13 28.78 3h59 s GLU 325 CO 0.15 -0.25 1.20 0.45 -0.49 0.00 0.00 175.26 176.32 3h59 s SER 326 N 1.14 6.05 -0.14 -0.19 0.15 0.13 -4.49 113.70 116.35 3h59 s SER 326 Ca 0.52 2.39 0.16 0.00 0.70 0.00 0.00 55.95 59.72 3h59 s SER 326 Cb -0.22 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 61.91 3h59 s SER 326 CO 0.23 -1.01 1.32 0.00 1.20 0.00 0.00 173.24 174.99 3h59 n ALA 327 N -0.53 2.69 0.00 5.45 0.00 -1.26 -4.89 120.51 121.97 3h59 n ALA 327 Ca 0.08 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.32 3h59 n ALA 327 Cb 0.47 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.61 1.73 0.25 0.00 0.00 -1.26 -4.49 105.19 100.81 3h59 n GLY 328 Ca 0.18 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 1.28 -0.31 2.61 1.35 -1.98 -0.52 112.91 115.34 3h59 h THR 329 Ca 0.00 -1.56 -0.04 0.00 -0.55 0.00 0.00 66.41 64.26 3h59 h THR 329 Cb 0.00 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3h59 h THR 329 CO 0.00 0.51 0.05 -0.61 -0.25 0.00 0.00 175.52 175.22 3h59 h GLN 330 N 0.65 0.52 -0.06 4.72 4.15 -2.00 -2.51 115.11 120.57 3h59 h GLN 330 Ca 0.05 -0.14 -0.22 0.00 0.77 0.00 0.00 58.65 59.11 3h59 h GLN 330 Cb 0.95 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.58 3h59 h GLN 330 CO 0.09 0.61 -0.87 1.49 -1.93 0.00 0.00 178.83 178.22 3h59 h GLU 331 N 0.34 0.58 -0.72 1.69 4.57 -1.77 -2.55 114.58 116.72 3h59 h GLU 331 Ca 0.10 -0.54 -0.04 0.00 -1.18 0.00 0.00 59.36 57.70 3h59 h GLU 331 Cb 0.34 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3h59 h GLU 331 CO 0.01 1.16 0.30 -0.44 -1.18 0.00 0.00 179.01 178.85 3h59 h ASP 332 N 0.36 0.97 -0.73 1.04 3.32 -1.16 -1.31 116.42 118.92 3h59 h ASP 332 Ca -0.07 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 3h59 h ASP 332 Cb 1.49 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3h59 h ASP 332 CO 0.16 0.86 0.21 0.00 -1.72 0.00 0.00 179.24 178.75 3h59 h ALA 333 N 1.28 0.96 -0.09 3.45 0.00 -1.42 -2.09 119.26 121.35 3h59 h ALA 333 Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h59 h ALA 333 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h59 h ALA 333 CO -0.02 0.67 0.05 0.00 0.00 0.00 0.00 179.25 179.94 3h59 h ALA 334 N 1.11 0.11 -0.41 0.00 0.00 -1.16 -2.55 119.26 116.35 3h59 h ALA 334 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h59 h ALA 334 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3h59 h ALA 334 CO -0.00 -0.37 0.27 0.77 0.00 0.00 0.00 179.25 179.92 3h59 h SER 335 N 0.07 0.47 -0.21 0.00 0.02 -1.22 -2.12 113.55 110.56 3h59 h SER 335 Ca 0.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3h59 h SER 335 Cb 0.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3h59 h SER 335 CO -0.01 0.35 0.10 -0.07 -1.14 0.00 0.00 176.83 176.06 3h59 h LEU 336 N 0.55 0.31 -0.39 5.07 3.38 -1.35 0.13 115.31 123.02 3h59 h LEU 336 Ca 0.15 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3h59 h LEU 336 Cb -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3h59 h LEU 336 CO -0.03 0.29 -0.32 0.03 0.09 0.00 0.00 178.44 178.50 3h59 h ARG 337 N 0.36 0.90 -0.51 1.13 3.08 -1.15 -0.25 114.38 117.93 3h59 h ARG 337 Ca 0.09 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 3h59 h ARG 337 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3h59 h ARG 337 CO -0.01 1.10 0.19 0.28 -1.07 0.00 0.00 179.97 180.46 3h59 h VAL 338 N 0.71 1.22 -0.34 2.04 2.07 -0.87 0.04 116.25 121.12 3h59 h VAL 338 Ca 0.07 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.93 3h59 h VAL 338 Cb 0.91 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3h59 h VAL 338 CO 0.08 0.27 0.01 0.15 0.02 0.00 0.00 177.57 178.10 3h59 h PHE 339 N 0.69 -0.00 -0.55 1.57 3.57 -0.67 0.16 116.94 121.71 3h59 h PHE 339 Ca 0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3h59 h PHE 339 Cb 0.23 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3h59 h PHE 339 CO 0.01 -0.05 0.09 1.15 -2.23 0.00 0.00 178.31 177.28 3h59 h THR 340 N 0.10 1.25 -0.74 4.41 2.02 -0.93 -0.21 112.91 118.82 3h59 h THR 340 Ca 0.16 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.38 3h59 h THR 340 Cb 0.22 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3h59 h THR 340 CO -0.27 0.35 0.48 -0.33 0.37 0.00 0.00 175.52 176.13 3h59 h GLU 341 N 0.81 0.96 -0.12 6.66 5.08 -0.75 -0.01 114.58 127.20 3h59 h GLU 341 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3h59 h GLU 341 Cb 0.41 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3h59 h GLU 341 CO 0.01 0.63 0.05 0.00 -1.00 0.00 0.00 179.01 178.70 3h59 h ALA 342 N 1.28 0.16 -0.82 3.43 0.00 -0.33 -1.81 119.26 121.16 3h59 h ALA 342 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3h59 h ALA 342 Cb -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3h59 h ALA 342 CO -0.07 -0.26 0.39 0.52 0.00 0.00 0.00 179.25 179.83 3h59 h MET 343 N 0.05 1.18 -0.49 0.00 2.86 -0.92 -2.67 114.93 114.94 3h59 h MET 343 Ca 0.04 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3h59 h MET 343 Cb 0.15 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3h59 h MET 343 CO -0.00 0.90 0.30 1.15 1.06 0.00 0.00 176.91 180.32 3h59 h THR 344 N 1.16 1.15 0.00 2.22 2.02 -0.83 0.19 112.91 118.82 3h59 h THR 344 Ca 0.28 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3h59 h THR 344 Cb 0.12 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3h59 h THR 344 CO -0.04 0.15 -0.01 0.03 0.37 0.00 0.00 175.52 176.03 3h59 h ARG 345 N 0.66 0.00 -0.33 6.66 3.08 -1.02 -1.48 114.38 121.96 3h59 h ARG 345 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3h59 h ARG 345 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3h59 h ARG 345 CO -0.03 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 179.54 3h59 n TYR 346 N -3.98 0.43 -2.61 3.04 4.01 -0.77 -0.20 117.16 117.09 3h59 n TYR 346 Ca -0.03 -0.21 -0.07 0.00 -0.16 0.00 0.00 57.90 57.43 3h59 n TYR 346 Cb 0.09 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.68 -5.23 -2.78 7.72 2.88 -0.56 -4.93 113.62 111.40 3h59 n SER 347 Ca 0.16 -0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.25 3h59 n SER 347 Cb 0.38 -3.64 0.08 0.00 -0.75 0.00 0.00 64.21 60.28 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 -2.33 0.06 -1.47 -1.46 0.00 -0.02 -4.65 120.51 110.64 3h59 n ALA 348 Ca -0.03 -1.74 -0.33 0.00 0.00 0.00 0.00 53.44 51.34 3h59 n ALA 348 Cb 0.56 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.20 2.69 0.46 0.00 0.04 -1.26 -3.98 135.00 132.74 3h59 s PRO 349 Ca 0.24 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 3h59 s PRO 349 Cb 0.32 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.85 3h59 s PRO 349 CO -0.06 -1.33 0.88 -1.25 0.04 0.00 0.00 177.00 175.29 3h59 s PRO 350 N -4.22 3.90 0.00 0.56 0.04 -1.26 -1.39 135.00 132.62 3h59 s PRO 350 Ca 0.66 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3h59 s PRO 350 Cb -0.20 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3h59 s PRO 350 CO 0.44 -0.14 0.01 0.41 0.04 0.00 0.00 177.00 177.75 3h59 n GLY 351 N -1.36 1.68 3.72 0.56 0.00 -0.62 -4.43 105.19 104.74 3h59 n GLY 351 Ca 0.05 0.00 -0.41 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 -1.03 7.40 0.43 1.61 1.01 -1.26 -4.99 116.67 119.84 3h59 s ASP 352 Ca 0.00 1.78 -0.24 0.00 0.71 0.00 0.00 52.55 54.81 3h59 s ASP 352 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 3h59 s ASP 352 CO 0.00 -0.18 1.16 -2.84 0.21 0.00 0.00 175.17 173.52 3h59 s PRO 353 N 0.43 3.89 0.65 8.23 0.02 -1.26 -4.50 135.00 142.47 3h59 s PRO 353 Ca 0.50 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 63.14 3h59 s PRO 353 Cb -0.23 -2.52 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 3h59 s PRO 353 CO 0.30 -0.44 1.21 -1.25 -0.33 0.00 0.00 177.00 176.48 3h59 s PRO 354 N -2.54 2.63 -0.03 5.54 0.04 -1.26 -5.03 135.00 134.35 3h59 s PRO 354 Ca 0.61 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.50 3h59 s PRO 354 Cb -0.29 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3h59 s PRO 354 CO 0.36 -1.46 -0.20 -0.65 0.04 0.00 0.00 177.00 175.09 3h59 s GLN 355 N -3.59 1.80 0.28 4.56 -0.21 -1.26 -5.02 119.66 116.22 3h59 s GLN 355 Ca 0.76 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 55.14 3h59 s GLN 355 Cb -0.30 -1.65 -0.10 0.00 1.00 0.00 0.00 33.01 31.97 3h59 s GLN 355 CO 0.39 0.36 1.20 -1.25 -2.12 0.00 0.00 175.29 173.87 3h59 s PRO 356 N -0.26 4.50 -0.02 2.91 0.05 -1.26 -4.54 135.00 136.37 3h59 s PRO 356 Ca 0.02 1.98 0.06 0.00 0.05 0.00 0.00 61.00 63.12 3h59 s PRO 356 Cb -0.10 -3.15 -0.01 0.00 0.05 0.00 0.00 34.50 31.28 3h59 s PRO 356 CO 0.01 -0.01 -0.22 -1.21 0.05 0.00 0.00 177.00 175.62 3h59 s GLU 357 N -1.30 1.89 0.00 4.56 0.41 0.51 -4.96 118.70 119.81 3h59 s GLU 357 Ca 0.48 -0.79 0.11 0.00 -0.41 0.00 0.00 54.97 54.37 3h59 s GLU 357 Cb -0.35 -1.78 0.21 0.00 -1.78 0.00 0.00 34.13 30.43 3h59 s GLU 357 CO 0.44 0.44 1.07 0.66 -0.49 0.00 0.00 175.26 177.39 3h59 n TYR 358 N 2.65 0.25 -3.96 1.61 4.01 -1.26 -1.56 117.16 118.90 3h59 n TYR 358 Ca -0.16 -0.26 -0.30 0.00 -0.16 0.00 0.00 57.90 57.02 3h59 n TYR 358 Cb 0.52 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.98 3.21 0.48 7.72 -1.08 -1.26 -5.00 116.67 119.76 3h59 s ASP 359 Ca 0.19 -0.82 0.21 0.00 -0.52 0.00 0.00 52.55 51.61 3h59 s ASP 359 Cb 0.11 -1.12 1.23 0.00 -1.46 0.00 0.00 42.92 41.69 3h59 s ASP 359 CO 0.15 -0.16 1.96 0.25 0.52 0.00 0.00 175.17 177.90 3h59 h LEU 360 N 8.03 0.19 -1.55 -1.34 5.85 -1.97 -1.70 115.31 122.81 3h59 h LEU 360 Ca -0.26 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3h59 h LEU 360 Cb 1.10 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h59 h LEU 360 CO 0.45 0.10 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.20 3h59 h GLU 361 N 0.20 0.00 -0.01 1.25 5.08 -1.96 -2.58 114.58 116.57 3h59 h GLU 361 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3h59 h GLU 361 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3h59 h GLU 361 CO -0.06 0.12 -0.13 1.28 -1.00 0.00 0.00 179.01 179.22 3h59 n LEU 362 N -3.35 0.74 -4.66 1.33 4.77 -0.64 -4.49 117.00 110.70 3h59 n LEU 362 Ca -0.00 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.44 3h59 n LEU 362 Cb 0.32 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3h59 n LEU 362 CO 0.30 0.13 0.41 -0.63 -1.33 0.00 0.00 177.39 176.27 3h59 s ILE 363 N -2.40 5.00 -0.24 -0.08 1.01 -0.97 -5.05 121.20 118.46 3h59 s ILE 363 Ca 0.30 1.25 -0.10 0.00 0.00 0.00 0.00 60.65 62.10 3h59 s ILE 363 Cb 0.20 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3h59 s ILE 363 CO 0.47 0.09 0.14 -0.89 0.00 0.00 0.00 174.94 174.74 3h59 s THR 364 N 2.00 5.09 -0.00 2.92 2.01 -1.26 -4.18 115.64 122.22 3h59 s THR 364 Ca 0.30 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 3h59 s THR 364 Cb -0.16 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 3h59 s THR 364 CO 0.10 0.34 0.01 -0.94 -0.69 0.00 0.00 174.62 173.45 3h59 s SER 365 N 1.19 0.04 -1.55 3.53 1.04 0.05 -4.69 113.70 113.31 3h59 s SER 365 Ca 0.06 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.29 3h59 s SER 365 Cb -0.14 0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.13 3h59 s SER 365 CO 0.05 -0.09 0.71 0.00 0.98 0.00 0.00 173.24 174.88 3h59 n SER 367 N -2.83 -5.48 -3.97 0.00 7.64 -1.26 -4.94 113.62 102.78 3h59 n SER 367 Ca -0.08 0.45 -0.13 0.00 1.01 0.00 0.00 58.87 60.13 3h59 n SER 367 Cb 0.57 -4.60 -0.13 0.00 -1.01 0.00 0.00 64.21 59.05 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 -2.71 0.46 0.12 6.43 0.01 -0.43 -4.67 113.70 112.91 3h59 s SER 368 Ca 0.00 -0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.08 3h59 s SER 368 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3h59 s SER 368 CO 0.00 -0.10 -0.24 0.54 0.41 0.00 0.00 173.24 173.85 3h59 s ASN 369 N -0.76 2.95 0.36 2.44 4.22 -0.35 -0.77 114.94 123.03 3h59 s ASN 369 Ca -0.05 -0.73 -0.27 0.00 -2.14 0.00 0.00 52.86 49.67 3h59 s ASN 369 Cb -0.05 -0.18 -0.09 0.00 1.28 0.00 0.00 41.25 42.20 3h59 s ASN 369 CO -0.00 0.12 1.16 -0.69 -2.04 0.00 0.00 177.10 175.65 3h59 s VAL 370 N -1.16 3.21 0.28 3.54 1.01 -1.26 -1.27 120.40 124.75 3h59 s VAL 370 Ca 0.11 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3h59 s VAL 370 Cb -0.10 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3h59 s VAL 370 CO 0.05 0.17 0.29 -0.55 0.00 0.00 0.00 175.10 175.06 3h59 s SER 371 N -1.00 0.80 -0.02 3.32 0.15 0.55 -4.39 113.70 113.11 3h59 s SER 371 Ca 0.52 -1.48 0.06 0.00 0.70 0.00 0.00 55.95 55.75 3h59 s SER 371 Cb -0.32 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 3h59 s SER 371 CO 0.41 -1.04 -0.20 0.54 1.20 0.00 0.00 173.24 174.14 3h59 s VAL 372 N -3.67 1.59 0.17 4.45 0.11 -1.26 -1.36 120.40 120.43 3h59 s VAL 372 Ca 0.36 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 3h59 s VAL 372 Cb 0.03 -1.33 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 3h59 s VAL 372 CO 0.19 0.45 0.15 0.00 -3.33 0.00 0.00 175.10 172.56 3h59 n ALA 373 N 2.68 0.33 -2.55 1.54 0.00 -0.79 -3.62 120.51 118.10 3h59 n ALA 373 Ca -0.16 -0.97 -0.23 0.00 0.00 0.00 0.00 53.44 52.08 3h59 n ALA 373 Cb 0.53 0.79 -0.13 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.76 1.70 0.00 0.00 3.76 0.14 -1.25 115.29 116.88 3h59 s HIS 374 Ca 0.20 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3h59 s HIS 374 Cb 0.01 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.75 3h59 s HIS 374 CO 0.14 0.17 0.00 -0.40 -0.85 0.00 0.00 174.74 173.80 3h59 n ASP 375 N 1.24 0.00 0.17 1.40 5.75 -0.62 -0.52 116.55 123.98 3h59 n ASP 375 Ca -0.19 -0.41 0.10 0.00 -0.01 0.00 0.00 54.79 54.28 3h59 n ASP 375 Cb 0.54 0.00 0.63 0.00 -1.03 0.00 0.00 41.12 41.25 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 -0.66 2.07 -0.52 2.12 0.00 -1.90 -2.62 119.26 117.75 3h59 h ALA 376 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h59 h ALA 376 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h59 h ALA 376 CO 0.00 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 3h59 n SER 377 N -4.50 3.50 0.00 0.00 3.41 -1.26 -4.96 113.62 109.81 3h59 n SER 377 Ca 0.01 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 3h59 n SER 377 Cb 0.20 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.97 1.35 3.76 5.00 0.00 -0.99 -5.04 105.19 110.24 3h59 n GLY 378 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.42 4.29 0.36 1.61 2.20 -1.26 -4.65 119.74 121.87 3h59 s LYS 379 Ca 0.00 2.29 -0.28 0.00 -0.36 0.00 0.00 55.97 57.62 3h59 s LYS 379 Cb 0.00 -3.09 -0.11 0.00 -1.51 0.00 0.00 37.83 33.13 3h59 s LYS 379 CO 0.00 -0.35 1.46 1.03 -0.36 0.00 0.00 175.35 177.13 3h59 s ARG 380 N -0.99 4.15 -0.03 4.03 0.52 -1.26 -1.58 118.95 123.78 3h59 s ARG 380 Ca 0.55 2.51 -0.01 0.00 -0.52 0.00 0.00 55.73 58.26 3h59 s ARG 380 Cb -0.41 -2.99 0.03 0.00 0.52 0.00 0.00 34.95 32.10 3h59 s ARG 380 CO 0.48 -0.48 0.06 0.54 0.02 0.00 0.00 175.30 175.92 3h59 s VAL 381 N -1.03 -0.06 0.20 3.52 0.11 -0.38 -4.90 120.40 117.86 3h59 s VAL 381 Ca 0.53 0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 59.60 3h59 s VAL 381 Cb -0.45 -0.13 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 3h59 s VAL 381 CO 0.60 0.09 0.71 -0.31 -3.33 0.00 0.00 175.10 172.86 3h59 s TYR 382 N 1.15 3.69 0.14 1.54 2.02 -1.26 -1.88 117.35 122.75 3h59 s TYR 382 Ca -0.08 1.40 -0.13 0.00 -0.37 0.00 0.00 57.07 57.88 3h59 s TYR 382 Cb -0.13 -2.62 0.02 0.00 -0.40 0.00 0.00 41.96 38.83 3h59 s TYR 382 CO -0.04 0.38 0.35 1.52 -1.57 0.00 0.00 175.55 176.19 3h59 s TYR 383 N -1.45 0.01 -0.14 2.71 1.13 -0.46 -4.98 117.35 114.16 3h59 s TYR 383 Ca 0.41 -0.37 -0.11 0.00 -1.41 0.00 0.00 57.07 55.60 3h59 s TYR 383 Cb -0.18 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.79 3h59 s TYR 383 CO 0.21 -0.71 0.21 -0.51 -2.51 0.00 0.00 175.55 172.25 3h59 s LEU 384 N -2.86 4.30 0.00 -3.49 1.43 -1.26 -0.33 118.68 116.47 3h59 s LEU 384 Ca 0.07 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3h59 s LEU 384 Cb 0.02 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3h59 s LEU 384 CO -0.08 0.24 0.20 1.07 0.23 0.00 0.00 176.35 178.01 3h59 n THR 385 N 2.91 0.00 -3.75 5.49 5.66 -0.39 -4.81 114.28 119.39 3h59 n THR 385 Ca -0.16 -2.00 -0.09 0.00 -3.05 0.00 0.00 64.05 58.76 3h59 n THR 385 Cb 0.53 0.93 -0.02 0.00 -1.55 0.00 0.00 70.33 70.21 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 -3.16 1.61 0.09 1.09 1.70 -1.26 -1.21 118.95 117.81 3h59 s ARG 386 Ca 0.29 -0.87 -0.33 0.00 -0.47 0.00 0.00 55.73 54.35 3h59 s ARG 386 Cb 0.01 0.59 -0.12 0.00 -0.57 0.00 0.00 34.95 34.86 3h59 s ARG 386 CO 0.20 -0.72 1.74 -3.47 -1.08 0.00 0.00 175.30 171.98 3h59 n ASP 387 N -0.42 3.53 -0.42 -2.89 -0.08 -1.26 -4.89 116.55 110.12 3h59 n ASP 387 Ca -0.08 1.02 0.02 0.00 -1.51 0.00 0.00 54.79 54.25 3h59 n ASP 387 Cb 0.61 -1.46 0.06 0.00 2.34 0.00 0.00 41.12 42.67 3h59 n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3h59 n PRO 388 N 4.95 1.44 0.13 -0.67 -0.05 -1.26 -4.42 135.00 135.12 3h59 n PRO 388 Ca 0.19 -0.51 -0.14 0.00 -0.05 0.00 0.00 63.50 62.99 3h59 n PRO 388 Cb 0.32 -1.29 -0.08 0.00 -0.05 0.00 0.00 33.50 32.40 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 0.76 0.84 -0.22 0.52 2.02 -1.96 -1.42 112.91 113.45 3h59 h THR 389 Ca 0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 3h59 h THR 389 Cb 0.38 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3h59 h THR 389 CO 0.03 0.10 -0.03 0.74 0.37 0.00 0.00 175.52 176.73 3h59 h THR 390 N -0.55 1.27 -0.98 3.16 2.02 -1.96 0.55 112.91 116.43 3h59 h THR 390 Ca -0.03 -0.98 0.20 0.00 0.77 0.00 0.00 66.41 66.36 3h59 h THR 390 Cb 0.40 1.48 -0.11 0.00 -1.74 0.00 0.00 68.15 68.19 3h59 h THR 390 CO 0.05 0.30 0.58 -0.65 0.37 0.00 0.00 175.52 176.17 3h59 h PRO 391 N 0.14 0.68 0.07 6.66 0.11 -1.84 -0.99 132.00 136.83 3h59 h PRO 391 Ca 0.06 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.86 3h59 h PRO 391 Cb 0.47 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.44 3h59 h PRO 391 CO 0.02 0.45 -1.14 -0.07 -0.21 0.00 0.00 178.00 177.05 3h59 h LEU 392 N 0.70 0.72 -0.54 2.35 3.38 -1.00 -1.04 115.31 119.88 3h59 h LEU 392 Ca 0.58 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h59 h LEU 392 Cb 0.93 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3h59 h LEU 392 CO -0.40 1.46 0.31 0.00 0.09 0.00 0.00 178.44 179.89 3h59 h ALA 393 N 0.47 0.70 -0.46 1.53 0.00 -0.67 -1.72 119.26 119.11 3h59 h ALA 393 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3h59 h ALA 393 Cb 1.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3h59 h ALA 393 CO 0.21 -0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 3h59 h ARG 394 N 0.60 0.88 -0.95 0.00 3.08 -1.20 -2.63 114.38 114.16 3h59 h ARG 394 Ca 0.23 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3h59 h ARG 394 Cb 0.07 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 3h59 h ARG 394 CO -0.12 0.98 0.63 0.00 -1.07 0.00 0.00 179.97 180.39 3h59 h ALA 395 N 1.03 1.33 -0.14 0.04 0.00 -1.02 -2.04 119.26 118.46 3h59 h ALA 395 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h59 h ALA 395 Cb 0.70 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h59 h ALA 395 CO 0.05 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.98 3h59 h ALA 396 N 1.41 0.17 -0.29 0.00 0.00 -1.16 -0.21 119.26 119.18 3h59 h ALA 396 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3h59 h ALA 396 Cb -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3h59 h ALA 396 CO -0.08 -0.37 0.11 2.35 0.00 0.00 0.00 179.25 181.26 3h59 h TRP 397 N 0.15 0.20 0.00 0.00 2.91 -1.30 -2.84 115.95 115.07 3h59 h TRP 397 Ca 0.06 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3h59 h TRP 397 Cb 0.01 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 3h59 h TRP 397 CO -0.09 0.10 0.00 0.93 -1.03 0.00 0.00 178.44 178.35 3h59 h GLU 398 N 0.25 0.00 -0.31 2.65 5.08 -1.19 0.17 114.58 121.23 3h59 h GLU 398 Ca 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3h59 h GLU 398 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3h59 h GLU 398 CO -0.12 0.00 -0.06 1.15 -1.00 0.00 0.00 179.01 178.98 3h59 h THR 399 N 0.00 1.21 0.00 1.13 2.02 -0.78 -3.33 112.91 113.16 3h59 h THR 399 Ca 0.00 -0.88 -0.32 0.00 0.77 0.00 0.00 66.41 65.98 3h59 h THR 399 Cb 0.56 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 3h59 h THR 399 CO 0.00 0.30 -2.27 0.00 0.37 0.00 0.00 175.52 173.91 3h59 n ALA 400 N -2.48 1.63 -3.39 6.16 0.00 -0.63 -4.92 120.51 116.87 3h59 n ALA 400 Ca 0.01 -1.19 -0.30 0.00 0.00 0.00 0.00 53.44 51.95 3h59 n ALA 400 Cb 0.28 -0.20 -0.17 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.54 2.69 0.18 0.00 1.81 0.50 -4.93 118.95 116.66 3h59 s ARG 401 Ca -0.09 -0.75 -0.31 0.00 -1.72 0.00 0.00 55.73 52.86 3h59 s ARG 401 Cb 0.06 -2.10 -0.09 0.00 -0.45 0.00 0.00 34.95 32.37 3h59 s ARG 401 CO 0.78 0.09 1.45 -1.01 -0.68 0.00 0.00 175.30 175.93 3h59 s HIS 402 N 0.56 3.13 0.18 -0.53 3.76 -1.26 -4.26 115.29 116.86 3h59 s HIS 402 Ca -0.15 0.91 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 3h59 s HIS 402 Cb -0.17 -3.79 -0.04 0.00 1.11 0.00 0.00 32.58 29.69 3h59 s HIS 402 CO 0.05 -2.71 -0.15 0.95 -0.85 0.00 0.00 174.74 172.03 3h59 s THR 403 N 0.66 1.61 0.36 1.30 -4.23 -1.26 -5.06 115.64 109.01 3h59 s THR 403 Ca 0.64 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 3h59 s THR 403 Cb -0.40 -1.89 0.20 0.00 1.34 0.00 0.00 72.50 71.74 3h59 s THR 403 CO 0.35 -0.53 1.94 1.55 -0.54 0.00 0.00 174.62 177.39 3h59 h PRO 404 N 2.89 0.55 -4.93 3.99 0.13 -1.96 -3.41 132.00 129.27 3h59 h PRO 404 Ca -0.39 -0.09 -0.63 0.00 -0.87 0.00 0.00 66.00 64.03 3h59 h PRO 404 Cb 1.21 -0.10 -0.35 0.00 0.13 0.00 0.00 31.00 31.90 3h59 h PRO 404 CO 0.58 0.50 -0.85 0.08 -0.23 0.00 0.00 178.00 178.08 3h59 s VAL 405 N -5.17 1.77 -0.71 1.56 1.01 -1.26 -4.55 120.40 113.04 3h59 s VAL 405 Ca -0.08 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 3h59 s VAL 405 Cb 0.16 -1.60 0.10 0.00 0.00 0.00 0.00 36.38 35.05 3h59 s VAL 405 CO 0.76 0.49 0.91 0.20 0.00 0.00 0.00 175.10 177.46 3h59 s ASN 406 N 1.05 6.32 0.50 3.32 0.01 -0.47 -4.89 114.94 120.77 3h59 s ASN 406 Ca -0.03 -1.49 0.17 0.00 -0.71 0.00 0.00 52.86 50.80 3h59 s ASN 406 Cb -0.15 -2.36 1.23 0.00 0.41 0.00 0.00 41.25 40.38 3h59 s ASN 406 CO -0.05 -1.19 2.09 0.77 -1.51 0.00 0.00 177.10 177.21 3h59 h SER 407 N 9.16 0.00 -0.52 -1.22 4.64 -1.93 -2.43 113.55 121.26 3h59 h SER 407 Ca -0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3h59 h SER 407 Cb 1.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 3h59 h SER 407 CO 1.11 0.08 0.26 4.11 -0.87 0.00 0.00 176.83 181.53 3h59 h TRP 408 N 0.00 0.78 0.07 4.77 5.08 -1.90 -0.30 115.95 124.45 3h59 h TRP 408 Ca -0.00 -0.03 -0.26 0.00 1.08 0.00 0.00 58.89 59.68 3h59 h TRP 408 Cb 0.16 -0.25 0.02 0.00 -3.00 0.00 0.00 29.16 26.09 3h59 h TRP 408 CO 0.00 0.58 -1.05 1.25 -1.28 0.00 0.00 178.44 177.94 3h59 h LEU 409 N 0.79 0.80 -1.15 0.11 5.85 -1.83 -1.85 115.31 118.03 3h59 h LEU 409 Ca 0.19 -0.80 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 3h59 h LEU 409 Cb 0.10 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3h59 h LEU 409 CO -0.02 1.51 0.33 1.23 -0.34 0.00 0.00 178.44 181.15 3h59 h GLY 410 N 0.19 0.99 1.46 3.75 0.00 -1.32 -2.36 103.07 105.78 3h59 h GLY 410 Ca -0.15 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 3h59 h GLY 410 CO 0.20 0.43 -0.45 3.43 0.00 0.00 0.00 176.54 180.16 3h59 h ASN 411 N 0.92 0.63 -0.67 0.19 2.35 -0.96 -1.19 115.58 116.85 3h59 h ASN 411 Ca 0.23 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 3h59 h ASN 411 Cb 0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3h59 h ASN 411 CO -0.03 0.99 0.13 0.40 -1.65 0.00 0.00 177.43 177.27 3h59 h ILE 412 N 0.47 1.26 -0.00 2.81 2.04 -1.22 0.15 117.51 123.02 3h59 h ILE 412 Ca 0.03 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3h59 h ILE 412 Cb 0.97 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3h59 h ILE 412 CO 0.09 0.38 -0.00 0.40 0.00 0.00 0.00 178.15 179.02 3h59 h ILE 413 N 1.02 1.35 0.00 -0.67 2.04 -1.31 -1.73 117.51 118.21 3h59 h ILE 413 Ca 0.21 -1.02 -0.21 0.00 1.00 0.00 0.00 64.86 64.84 3h59 h ILE 413 Cb 0.41 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3h59 h ILE 413 CO 0.01 0.27 -1.12 0.24 0.00 0.00 0.00 178.15 177.55 3h59 h MET 414 N -0.43 0.00 -0.36 2.37 2.86 -1.25 -3.32 114.93 114.80 3h59 h MET 414 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3h59 h MET 414 Cb 0.44 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.00 3h59 h MET 414 CO 0.00 0.74 -0.01 0.66 1.06 0.00 0.00 176.91 179.35 3h59 n TYR 415 N -3.22 1.16 -0.27 -0.22 4.01 0.51 -4.83 117.16 114.30 3h59 n TYR 415 Ca -0.04 -1.43 0.09 0.00 -0.16 0.00 0.00 57.90 56.36 3h59 n TYR 415 Cb 0.92 -0.47 0.23 0.00 -0.31 0.00 0.00 39.34 39.71 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 1.19 1.10 0.00 -0.72 0.00 -1.41 -1.60 119.26 117.82 3h59 h ALA 416 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3h59 h ALA 416 Cb 1.68 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3h59 h ALA 416 CO 0.39 -0.38 0.00 -2.30 0.00 0.00 0.00 179.25 176.96 3h59 n PRO 417 N -5.18 0.23 -2.24 0.00 -0.02 -1.26 -4.42 135.00 122.10 3h59 n PRO 417 Ca 0.17 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 3h59 n PRO 417 Cb 0.55 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 3h59 n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h59 s THR 418 N -2.62 4.39 0.06 3.45 -4.23 -0.60 -4.93 115.64 111.16 3h59 s THR 418 Ca 0.16 1.09 0.18 0.00 -1.18 0.00 0.00 61.69 61.95 3h59 s THR 418 Cb 0.12 -3.66 0.12 0.00 1.34 0.00 0.00 72.50 70.43 3h59 s THR 418 CO 0.28 -0.71 1.65 0.17 -0.54 0.00 0.00 174.62 175.48 3h59 h LEU 419 N 0.64 0.00 0.07 4.79 8.10 -1.88 -2.74 115.31 124.28 3h59 h LEU 419 Ca -0.46 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 57.23 3h59 h LEU 419 Cb 1.19 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.39 3h59 h LEU 419 CO 0.61 0.40 -1.57 4.11 -4.11 0.00 0.00 178.44 177.88 3h59 h TRP 420 N 0.00 0.27 -0.29 0.17 5.08 -1.92 -2.44 115.95 116.82 3h59 h TRP 420 Ca -0.00 -0.20 -0.14 0.00 1.08 0.00 0.00 58.89 59.63 3h59 h TRP 420 Cb 1.04 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 3h59 h TRP 420 CO 0.00 1.27 -0.38 0.00 -1.28 0.00 0.00 178.44 178.05 3h59 h ALA 421 N 0.65 0.43 0.09 0.11 0.00 -1.81 -1.58 119.26 117.16 3h59 h ALA 421 Ca -0.25 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3h59 h ALA 421 Cb 1.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3h59 h ALA 421 CO 0.13 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 3h59 h ARG 422 N 0.52 -0.12 -0.04 0.00 3.08 -1.59 -0.65 114.38 115.59 3h59 h ARG 422 Ca 0.03 0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.85 3h59 h ARG 422 Cb 0.97 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.06 3h59 h ARG 422 CO 0.09 0.37 -0.93 0.52 -1.07 0.00 0.00 179.97 178.95 3h59 h MET 423 N -0.67 0.59 0.00 0.04 2.86 -1.55 -3.35 114.93 112.85 3h59 h MET 423 Ca -0.01 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3h59 h MET 423 Cb 0.54 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3h59 h MET 423 CO 0.02 1.20 -0.88 -0.89 1.06 0.00 0.00 176.91 177.42 3h59 n ILE 424 N -3.83 1.32 -0.04 -1.22 5.41 -0.62 -4.24 119.36 116.15 3h59 n ILE 424 Ca -0.08 0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.73 3h59 n ILE 424 Cb 0.82 -2.25 -0.06 0.00 -0.71 0.00 0.00 39.64 37.44 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 -0.88 0.20 -0.99 1.39 3.38 -1.23 -1.24 115.31 115.94 3h59 h LEU 425 Ca 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3h59 h LEU 425 Cb 0.88 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3h59 h LEU 425 CO 0.00 0.42 0.40 0.24 0.09 0.00 0.00 178.44 179.59 3h59 h MET 426 N -0.03 1.12 0.07 1.13 2.86 -1.27 -2.10 114.93 116.72 3h59 h MET 426 Ca 0.04 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3h59 h MET 426 Cb 0.31 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3h59 h MET 426 CO 0.00 0.84 -0.03 1.15 1.06 0.00 0.00 176.91 179.93 3h59 h THR 427 N 1.12 1.18 0.10 2.22 2.02 -1.65 -2.38 112.91 115.52 3h59 h THR 427 Ca 0.28 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3h59 h THR 427 Cb 0.07 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3h59 h THR 427 CO -0.04 0.23 -0.14 -0.74 0.37 0.00 0.00 175.52 175.19 3h59 h HIS 428 N -0.51 -0.37 0.01 3.16 6.17 -1.19 -2.40 115.15 120.02 3h59 h HIS 428 Ca -0.01 0.01 -0.23 0.00 0.71 0.00 0.00 60.37 60.85 3h59 h HIS 428 Cb 0.44 0.15 -0.03 0.00 2.52 0.00 0.00 27.41 30.49 3h59 h HIS 428 CO 0.06 -0.21 -1.13 0.74 0.71 0.00 0.00 177.93 178.10 3h59 h PHE 429 N -0.29 0.05 -0.22 5.26 0.04 -1.46 -2.58 116.94 117.74 3h59 h PHE 429 Ca 0.02 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 3h59 h PHE 429 Cb 0.30 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3h59 h PHE 429 CO -0.15 1.03 -0.28 0.74 -0.60 0.00 0.00 178.31 179.05 3h59 h PHE 430 N 0.01 0.48 -0.88 -0.55 -1.00 -1.47 -1.44 116.94 112.09 3h59 h PHE 430 Ca -0.06 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 60.62 3h59 h PHE 430 Cb 1.83 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 41.22 3h59 h PHE 430 CO 0.01 0.68 0.59 1.03 -1.61 0.00 0.00 178.31 179.00 3h59 h SER 431 N 0.38 1.02 -0.42 2.17 0.87 -1.33 -0.80 113.55 115.44 3h59 h SER 431 Ca 0.05 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 3h59 h SER 431 Cb 0.70 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3h59 h SER 431 CO 0.05 0.74 -0.06 0.40 -0.53 0.00 0.00 176.83 177.43 3h59 h ILE 432 N 1.20 1.27 -0.37 2.23 2.04 -1.18 -2.52 117.51 120.18 3h59 h ILE 432 Ca 0.32 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 3h59 h ILE 432 Cb -0.14 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3h59 h ILE 432 CO -0.07 0.39 -0.21 -0.07 0.00 0.00 0.00 178.15 178.19 3h59 h LEU 433 N 0.61 0.71 0.54 1.44 3.38 -1.05 -1.97 115.31 118.97 3h59 h LEU 433 Ca 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3h59 h LEU 433 Cb 0.58 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3h59 h LEU 433 CO 0.03 0.91 -0.30 -0.07 0.09 0.00 0.00 178.44 179.10 3h59 h LEU 434 N 0.62 -0.74 -1.61 1.67 3.38 -1.14 0.18 115.31 117.67 3h59 h LEU 434 Ca 0.09 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3h59 h LEU 434 Cb 0.69 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3h59 h LEU 434 CO 0.05 -0.49 0.27 0.00 0.09 0.00 0.00 178.44 178.36 3h59 h ALA 435 N -0.36 1.73 -0.06 1.53 0.00 -1.39 -1.38 119.26 119.32 3h59 h ALA 435 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h59 h ALA 435 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h59 h ALA 435 CO 0.09 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.62 3h59 n GLN 436 N -4.48 1.86 -4.12 0.00 1.13 -0.75 -4.97 117.38 106.05 3h59 n GLN 436 Ca 0.03 -1.25 -0.31 0.00 -1.94 0.00 0.00 57.00 53.53 3h59 n GLN 436 Cb 0.07 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 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 0.51 -2.92 -0.58 -1.09 1.02 -0.23 -4.90 120.64 112.45 3h59 n GLU 437 Ca 0.18 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.70 3h59 n GLU 437 Cb 0.42 -4.65 0.24 0.00 -0.02 0.00 0.00 31.44 27.43 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 -4.41 2.60 -0.25 3.49 6.02 0.46 -4.69 117.38 120.60 3h59 n GLN 438 Ca -0.15 -2.95 0.14 0.00 -0.01 0.00 0.00 57.00 54.04 3h59 n GLN 438 Cb 0.60 -1.85 0.43 0.00 1.02 0.00 0.00 30.24 30.44 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 1.55 0.56 0.00 1.08 -0.00 -1.91 -2.23 115.31 114.36 3h59 h LEU 439 Ca 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 3h59 h LEU 439 Cb 1.57 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 3h59 h LEU 439 CO 0.31 0.26 -0.12 -0.62 -0.00 0.00 0.00 178.44 178.27 3h59 n GLU 440 N -4.55 0.05 -2.86 1.13 -0.58 -1.26 -3.84 120.64 108.73 3h59 n GLU 440 Ca 0.18 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 3h59 n GLU 440 Cb 0.55 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.83 3h59 n GLU 440 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3h59 s LYS 441 N -3.02 4.28 0.25 3.49 2.20 -0.84 -4.92 119.74 121.18 3h59 s LYS 441 Ca 0.13 1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 3h59 s LYS 441 Cb 0.17 -3.59 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 3h59 s LYS 441 CO 0.58 -0.38 1.42 0.00 -0.36 0.00 0.00 175.35 176.62 3h59 s ALA 442 N 2.32 3.61 0.04 3.13 0.00 -1.26 -4.49 121.76 125.11 3h59 s ALA 442 Ca 0.39 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.73 3h59 s ALA 442 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3h59 s ALA 442 CO 0.11 -0.72 -0.22 -0.51 0.00 0.00 0.00 175.76 174.42 3h59 s LEU 443 N -0.40 2.16 0.14 0.00 1.43 -0.14 -4.84 118.68 117.01 3h59 s LEU 443 Ca 0.59 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 3h59 s LEU 443 Cb -0.41 -1.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 3h59 s LEU 443 CO 0.43 0.19 0.66 -1.81 0.23 0.00 0.00 176.35 176.05 3h59 s ASP 444 N -1.14 7.13 0.11 2.29 1.01 -1.26 -0.29 116.67 124.53 3h59 s ASP 444 Ca 0.09 1.38 -0.06 0.00 0.71 0.00 0.00 52.55 54.67 3h59 s ASP 444 Cb -0.09 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 3h59 s ASP 444 CO 0.02 0.19 0.16 0.00 0.21 0.00 0.00 175.17 175.75 3h59 s GLN 446 N -3.94 3.32 -0.05 0.00 -0.21 -1.26 -0.36 119.66 117.16 3h59 s GLN 446 Ca 0.13 -0.38 -0.00 0.00 0.02 0.00 0.00 55.36 55.13 3h59 s GLN 446 Cb 0.05 -2.94 0.03 0.00 1.00 0.00 0.00 33.01 31.15 3h59 s GLN 446 CO -0.05 0.57 -0.01 0.42 -2.12 0.00 0.00 175.29 174.10 3h59 s ILE 447 N -0.49 0.33 -1.58 1.08 1.01 0.11 -4.80 121.20 116.85 3h59 s ILE 447 Ca 0.09 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 3h59 s ILE 447 Cb -0.12 -0.45 0.10 0.00 0.01 0.00 0.00 42.46 42.00 3h59 s ILE 447 CO 0.02 0.21 0.69 -1.22 0.00 0.00 0.00 174.94 174.65 3h59 n TYR 448 N 4.60 -1.79 0.00 3.97 4.01 -1.26 -2.01 117.16 124.67 3h59 n TYR 448 Ca -0.17 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 3h59 n TYR 448 Cb 0.50 -3.36 0.00 0.00 -0.31 0.00 0.00 39.34 36.17 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 -1.64 2.87 3.90 2.72 0.00 -1.26 -1.05 105.19 110.73 3h59 n GLY 449 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.91 3.87 -0.13 4.61 0.00 -0.85 -4.40 121.76 122.96 3h59 s ALA 450 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 3h59 s ALA 450 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 3h59 s ALA 450 CO 0.00 0.72 0.36 0.00 0.00 0.00 0.00 175.76 176.84 3h59 s TYR 452 N 0.29 1.87 -0.24 0.00 1.51 0.51 -1.37 117.35 119.92 3h59 s TYR 452 Ca 0.20 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 55.75 3h59 s TYR 452 Cb -0.14 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 3h59 s TYR 452 CO 0.07 -0.03 0.42 0.45 -1.11 0.00 0.00 175.55 175.35 3h59 s SER 453 N -0.52 6.37 -0.04 2.29 0.15 -1.25 -1.04 113.70 119.66 3h59 s SER 453 Ca 0.08 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.20 3h59 s SER 453 Cb -0.08 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 3h59 s SER 453 CO -0.01 -0.17 -0.14 -0.63 1.20 0.00 0.00 173.24 173.49 3h59 s ILE 454 N 1.85 1.23 -0.37 6.45 1.01 0.61 -4.90 121.20 127.08 3h59 s ILE 454 Ca 0.18 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3h59 s ILE 454 Cb -0.15 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.25 3h59 s ILE 454 CO 0.09 0.36 0.89 -1.61 0.00 0.00 0.00 174.94 174.67 3h59 s GLU 455 N 0.19 3.80 0.52 2.79 2.02 -1.26 -0.97 118.70 125.80 3h59 s GLU 455 Ca -0.06 0.48 0.24 0.00 0.02 0.00 0.00 54.97 55.65 3h59 s GLU 455 Cb -0.12 -3.81 1.37 0.00 0.10 0.00 0.00 34.13 31.67 3h59 s GLU 455 CO 0.02 -0.93 2.00 -1.35 0.02 0.00 0.00 175.26 175.02 3h59 h PRO 456 N 8.51 0.02 0.00 0.39 0.11 -1.79 0.29 132.00 139.53 3h59 h PRO 456 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3h59 h PRO 456 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h59 h PRO 456 CO 0.96 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 180.05 3h59 n LEU 457 N -4.39 0.48 -0.44 2.35 4.77 -1.25 -1.92 117.00 116.59 3h59 n LEU 457 Ca 0.09 0.68 0.14 0.00 -0.03 0.00 0.00 56.01 56.89 3h59 n LEU 457 Cb 0.57 -0.68 0.56 0.00 -2.33 0.00 0.00 43.42 41.53 3h59 n LEU 457 CO 0.37 -0.72 0.89 0.47 -1.33 0.00 0.00 177.39 177.07 3h59 n ASP 458 N -2.10 1.38 -0.16 -1.43 8.00 0.10 -4.49 116.55 117.85 3h59 n ASP 458 Ca 0.00 -1.46 -0.02 0.00 0.71 0.00 0.00 54.79 54.02 3h59 n ASP 458 Cb 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.27 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 2.17 0.06 -0.41 0.64 3.38 -1.51 -1.83 115.31 117.81 3h59 h LEU 459 Ca 0.00 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3h59 h LEU 459 Cb 0.46 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 3h59 h LEU 459 CO 0.00 0.06 -0.41 -0.65 0.09 0.00 0.00 178.44 177.53 3h59 h PRO 460 N 0.28 -0.30 -0.38 1.13 0.11 -1.84 -0.80 132.00 130.20 3h59 h PRO 460 Ca 0.26 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.46 3h59 h PRO 460 Cb 0.33 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 3h59 h PRO 460 CO -0.31 -0.20 -0.03 1.96 -0.21 0.00 0.00 178.00 179.21 3h59 h GLN 461 N -0.31 0.06 -0.44 1.05 7.50 -1.76 -2.28 115.11 118.93 3h59 h GLN 461 Ca 0.15 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 3h59 h GLN 461 Cb 0.58 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 3h59 h GLN 461 CO -0.57 0.04 0.29 0.82 -1.50 0.00 0.00 178.83 177.91 3h59 h ILE 462 N 0.07 1.12 -0.69 2.54 2.04 -1.03 -1.70 117.51 119.85 3h59 h ILE 462 Ca 0.19 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3h59 h ILE 462 Cb 0.27 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3h59 h ILE 462 CO -0.34 0.12 0.14 0.40 0.00 0.00 0.00 178.15 178.47 3h59 h ILE 463 N 0.60 1.26 -0.11 -0.67 2.04 -0.88 -0.72 117.51 119.03 3h59 h ILE 463 Ca 0.16 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3h59 h ILE 463 Cb -0.06 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3h59 h ILE 463 CO -0.03 0.38 0.02 -0.08 0.00 0.00 0.00 178.15 178.44 3h59 h GLU 464 N 1.06 0.18 -0.95 2.37 4.81 -1.18 0.17 114.58 121.04 3h59 h GLU 464 Ca 0.21 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 3h59 h GLU 464 Cb 0.41 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3h59 h GLU 464 CO 0.01 0.38 0.61 0.00 -0.73 0.00 0.00 179.01 179.27 3h59 h ARG 465 N -0.04 1.00 0.00 1.92 2.47 -1.10 -0.49 114.38 118.14 3h59 h ARG 465 Ca 0.03 -0.06 -0.25 0.00 -1.26 0.00 0.00 59.98 58.45 3h59 h ARG 465 Cb 0.28 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 3h59 h ARG 465 CO 0.00 0.66 -1.37 -0.07 0.56 0.00 0.00 179.97 179.75 3h59 h LEU 466 N 1.03 0.00 0.00 3.04 3.38 -0.80 -3.42 115.31 118.54 3h59 h LEU 466 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3h59 h LEU 466 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3h59 h LEU 466 CO -0.18 0.97 -0.69 1.41 0.09 0.00 0.00 178.44 180.04 3h59 n HIS 467 N -3.17 0.00 0.00 1.13 8.25 0.57 -2.05 115.22 119.95 3h59 n HIS 467 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3h59 n HIS 467 Cb 0.99 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 1.74 -0.04 0.34 -1.41 0.00 -0.19 -4.59 105.19 101.04 3h59 n GLY 468 Ca 0.00 -1.66 0.17 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.48 0.99 3.38 -1.89 -2.16 115.31 113.15 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 -0.02 0.77 0.09 0.00 0.00 178.44 179.28 3h59 h SER 470 N 0.00 0.00 -0.47 -0.43 4.64 -1.97 -2.48 113.55 112.85 3h59 h SER 470 Ca 0.11 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.54 3h59 h SER 470 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 3h59 h SER 470 CO -0.00 0.02 0.32 0.00 -0.87 0.00 0.00 176.83 176.30 3h59 h ALA 471 N 1.98 2.22 -0.00 5.18 0.00 -1.64 -0.93 119.26 126.08 3h59 h ALA 471 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h59 h ALA 471 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h59 h ALA 471 CO 0.00 -0.34 -0.16 1.19 0.00 0.00 0.00 179.25 179.95 3h59 n PHE 472 N -4.44 0.00 -0.25 0.00 3.72 -0.93 -4.23 117.46 111.32 3h59 n PHE 472 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3h59 n PHE 472 Cb 0.42 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.12 0.80 -4.77 4.37 7.64 -0.40 -4.45 113.62 115.69 3h59 n SER 473 Ca 0.12 -1.05 -0.40 0.00 1.01 0.00 0.00 58.87 58.54 3h59 n SER 473 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3h59 n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h59 s LEU 474 N -0.05 4.21 0.24 -3.43 1.43 -0.91 -4.21 118.68 115.96 3h59 s LEU 474 Ca 0.00 2.83 -0.14 0.00 -1.03 0.00 0.00 54.13 55.78 3h59 s LEU 474 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3h59 s LEU 474 CO 0.00 -0.96 0.51 -1.38 0.23 0.00 0.00 176.35 174.75 3h59 s HIS 475 N -1.20 0.22 -1.09 0.29 -3.43 0.33 -4.93 115.29 105.47 3h59 s HIS 475 Ca 0.57 -0.59 -0.03 0.00 -0.80 0.00 0.00 55.06 54.21 3h59 s HIS 475 Cb -0.42 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 3h59 s HIS 475 CO 0.54 -1.00 0.92 0.43 -2.00 0.00 0.00 174.74 173.64 3h59 n SER 476 N -0.38 -3.44 -4.47 7.38 7.64 -1.26 -0.68 113.62 118.41 3h59 n SER 476 Ca -0.03 -0.51 -0.31 0.00 1.01 0.00 0.00 58.87 59.02 3h59 n SER 476 Cb 0.62 -4.47 0.17 0.00 -1.01 0.00 0.00 64.21 59.52 3h59 n SER 476 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3h59 n TYR 477 N -4.06 -0.76 -2.77 1.43 4.02 -1.26 -4.38 117.16 109.37 3h59 n TYR 477 Ca -0.15 0.18 -0.35 0.00 -0.01 0.00 0.00 57.90 57.57 3h59 n TYR 477 Cb 0.61 -1.78 -0.06 0.00 -0.02 0.00 0.00 39.34 38.08 3h59 n TYR 477 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3h59 s SER 478 N -2.24 7.02 0.28 7.72 1.04 -1.24 -4.90 113.70 121.39 3h59 s SER 478 Ca 0.62 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.83 3h59 s SER 478 Cb -0.21 -2.56 0.55 0.00 0.10 0.00 0.00 66.02 63.90 3h59 s SER 478 CO 0.64 -0.30 1.84 -0.65 0.98 0.00 0.00 173.24 175.75 3h59 h PRO 479 N 2.33 0.98 -0.74 4.02 0.11 -1.96 -1.65 132.00 135.10 3h59 h PRO 479 Ca -0.48 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 65.70 3h59 h PRO 479 Cb 1.19 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 31.99 3h59 h PRO 479 CO 0.62 0.65 0.30 0.78 -0.21 0.00 0.00 178.00 180.14 3h59 h GLY 480 N 1.01 1.11 0.81 -0.55 0.00 -1.99 -0.52 103.07 102.95 3h59 h GLY 480 Ca 0.49 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 3h59 h GLY 480 CO -0.26 -0.08 -0.28 -2.09 0.00 0.00 0.00 176.54 173.84 3h59 h GLU 481 N 0.45 0.47 -0.17 4.80 4.57 -1.71 -2.25 114.58 120.74 3h59 h GLU 481 Ca 0.40 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3h59 h GLU 481 Cb 0.59 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3h59 h GLU 481 CO -0.39 0.89 0.09 0.82 -1.18 0.00 0.00 179.01 179.24 3h59 h ILE 482 N 0.09 1.12 -0.76 2.32 2.04 -1.20 -0.01 117.51 121.10 3h59 h ILE 482 Ca 0.01 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3h59 h ILE 482 Cb 0.86 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3h59 h ILE 482 CO 0.06 0.11 0.50 0.78 0.00 0.00 0.00 178.15 179.60 3h59 h ASN 483 N 0.16 0.87 -0.47 1.72 2.35 -1.16 0.73 115.58 119.77 3h59 h ASN 483 Ca 0.06 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3h59 h ASN 483 Cb 0.10 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3h59 h ASN 483 CO -0.01 0.62 0.19 -0.09 -1.65 0.00 0.00 177.43 176.50 3h59 h ARG 484 N 1.02 0.71 0.10 0.81 2.43 -1.07 0.17 114.38 118.55 3h59 h ARG 484 Ca 0.28 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3h59 h ARG 484 Cb -0.10 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3h59 h ARG 484 CO -0.07 0.64 -0.05 0.28 -1.51 0.00 0.00 179.97 179.26 3h59 h VAL 485 N 0.63 0.91 -0.20 0.20 2.07 -0.78 -2.40 116.25 116.67 3h59 h VAL 485 Ca 0.16 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3h59 h VAL 485 Cb 0.19 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3h59 h VAL 485 CO -0.01 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.29 3h59 h ALA 486 N 0.77 -0.25 -0.08 1.67 0.00 -0.70 -0.23 119.26 120.44 3h59 h ALA 486 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h59 h ALA 486 Cb 0.10 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3h59 h ALA 486 CO 0.02 -0.73 -0.00 0.66 0.00 0.00 0.00 179.25 179.20 3h59 h SER 487 N -0.32 0.10 -0.12 0.00 4.64 -0.96 -2.00 113.55 114.89 3h59 h SER 487 Ca 0.12 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3h59 h SER 487 Cb 0.51 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3h59 h SER 487 CO -0.38 0.12 -0.09 0.00 -0.87 0.00 0.00 176.83 175.61 3h59 h LEU 489 N -0.12 0.79 -0.17 0.00 3.38 -0.82 -0.79 115.31 117.58 3h59 h LEU 489 Ca 0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3h59 h LEU 489 Cb 0.59 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h59 h LEU 489 CO 0.02 0.48 -0.11 0.03 0.09 0.00 0.00 178.44 178.95 3h59 h ARG 490 N 0.88 0.37 -0.33 1.13 3.08 -1.29 0.21 114.38 118.44 3h59 h ARG 490 Ca 0.40 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.32 3h59 h ARG 490 Cb 0.37 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3h59 h ARG 490 CO -0.16 0.71 0.06 -0.22 -1.07 0.00 0.00 179.97 179.29 3h59 h LYS 491 N 0.04 0.17 -0.00 0.04 3.64 -0.96 -3.00 116.57 116.49 3h59 h LYS 491 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h59 h LYS 491 Cb 0.61 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3h59 h LYS 491 CO 0.03 0.11 -0.22 1.28 -2.27 0.00 0.00 179.45 178.39 3h59 n LEU 492 N -5.10 0.22 -2.16 5.20 4.32 -0.34 -4.87 117.00 114.28 3h59 n LEU 492 Ca 0.01 0.28 -0.13 0.00 -0.02 0.00 0.00 56.01 56.14 3h59 n LEU 492 Cb 0.15 -0.39 0.04 0.00 -1.62 0.00 0.00 43.42 41.60 3h59 n LEU 492 CO 0.25 0.05 0.11 0.61 -1.22 0.00 0.00 177.39 177.19 3h59 n GLY 493 N 1.50 0.08 3.79 -0.72 0.00 -0.31 -1.96 105.19 107.57 3h59 n GLY 493 Ca 0.06 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.12 4.78 0.59 1.61 1.01 0.60 -1.73 120.40 124.15 3h59 s VAL 494 Ca 0.30 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 3h59 s VAL 494 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3h59 s VAL 494 CO 0.37 0.50 1.08 -2.65 0.00 0.00 0.00 175.10 174.40 3h59 n PRO 495 N 2.12 1.06 -1.30 2.72 -0.02 -1.26 -4.64 135.00 133.68 3h59 n PRO 495 Ca -0.09 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 3h59 n PRO 495 Cb 0.51 -2.28 0.14 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.85 1.26 0.51 0.52 0.04 -1.26 -4.81 135.00 128.41 3h59 s PRO 496 Ca 0.76 0.67 0.17 0.00 0.04 0.00 0.00 61.00 62.64 3h59 s PRO 496 Cb -0.42 -1.82 1.28 0.00 0.04 0.00 0.00 34.50 33.58 3h59 s PRO 496 CO 0.46 -2.20 2.13 -0.07 0.04 0.00 0.00 177.00 177.37 3h59 h LEU 497 N -1.51 0.00 -1.05 -3.56 3.38 -1.99 -1.05 115.31 109.52 3h59 h LEU 497 Ca -0.50 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 3h59 h LEU 497 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 3h59 h LEU 497 CO 0.57 0.03 -0.09 0.08 0.09 0.00 0.00 178.44 179.12 3h59 h ARG 498 N 0.00 0.57 -0.30 1.13 0.11 -1.99 0.75 114.38 114.64 3h59 h ARG 498 Ca -0.00 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 59.91 3h59 h ARG 498 Cb 0.05 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 3h59 h ARG 498 CO 0.00 0.66 0.14 0.28 0.10 0.00 0.00 179.97 181.16 3h59 h VAL 499 N 0.53 1.16 -0.32 0.08 2.07 -1.54 -2.23 116.25 116.00 3h59 h VAL 499 Ca 0.10 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3h59 h VAL 499 Cb 0.48 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3h59 h VAL 499 CO 0.03 0.17 -0.05 -0.50 0.02 0.00 0.00 177.57 177.24 3h59 h TRP 500 N 0.35 0.55 -0.10 1.57 4.06 -1.31 -1.13 115.95 119.94 3h59 h TRP 500 Ca 0.10 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3h59 h TRP 500 Cb 0.14 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 3h59 h TRP 500 CO -0.01 0.57 0.06 -0.09 -3.56 0.00 0.00 178.44 175.40 3h59 h ARG 501 N 0.49 0.13 -0.12 0.49 2.43 -0.80 0.16 114.38 117.17 3h59 h ARG 501 Ca 0.10 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3h59 h ARG 501 Cb 0.39 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3h59 h ARG 501 CO 0.02 0.08 -0.00 1.25 -1.51 0.00 0.00 179.97 179.81 3h59 h HIS 502 N 0.13 -0.01 -0.70 2.20 2.76 -0.91 -2.40 115.15 116.21 3h59 h HIS 502 Ca 0.04 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 3h59 h HIS 502 Cb -0.01 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 3h59 h HIS 502 CO -0.07 -0.02 0.19 0.00 -1.30 0.00 0.00 177.93 176.73 3h59 h ARG 503 N 0.04 1.11 -0.82 5.26 3.08 -1.11 -2.69 114.38 119.26 3h59 h ARG 503 Ca 0.05 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 59.93 3h59 h ARG 503 Cb 0.07 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 3h59 h ARG 503 CO -0.10 0.97 0.53 0.00 -1.07 0.00 0.00 179.97 180.30 3h59 h ALA 504 N 1.14 1.66 -0.56 0.04 0.00 -0.36 -1.26 119.26 119.92 3h59 h ALA 504 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3h59 h ALA 504 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h59 h ALA 504 CO -0.00 0.20 0.22 0.00 0.00 0.00 0.00 179.25 179.67 3h59 h ARG 505 N 0.84 0.84 -0.41 0.00 3.08 -1.09 0.56 114.38 118.20 3h59 h ARG 505 Ca 0.36 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3h59 h ARG 505 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h59 h ARG 505 CO -0.14 0.73 0.01 1.03 -1.07 0.00 0.00 179.97 180.54 3h59 h SER 506 N 0.77 0.70 -0.43 7.04 0.87 -1.37 -2.35 113.55 118.78 3h59 h SER 506 Ca 0.19 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3h59 h SER 506 Cb 0.21 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3h59 h SER 506 CO -0.01 0.83 0.25 0.58 -0.53 0.00 0.00 176.83 177.94 3h59 h VAL 507 N 0.55 1.15 -0.29 2.23 2.07 -0.93 -0.23 116.25 120.79 3h59 h VAL 507 Ca 0.12 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3h59 h VAL 507 Cb 0.46 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3h59 h VAL 507 CO 0.02 0.15 0.06 -0.09 0.02 0.00 0.00 177.57 177.73 3h59 h ARG 508 N 0.56 0.16 -0.52 1.57 2.43 -0.92 0.84 114.38 118.50 3h59 h ARG 508 Ca 0.15 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3h59 h ARG 508 Cb 0.03 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3h59 h ARG 508 CO -0.03 0.11 -0.06 0.00 -1.51 0.00 0.00 179.97 178.48 3h59 h ALA 509 N 1.22 0.91 -0.46 2.80 0.00 -1.28 0.29 119.26 122.74 3h59 h ALA 509 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h59 h ALA 509 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h59 h ALA 509 CO -0.18 0.64 0.21 0.00 0.00 0.00 0.00 179.25 179.92 3h59 h ARG 510 N 0.85 0.67 -0.55 0.00 3.08 -0.67 -0.19 114.38 117.57 3h59 h ARG 510 Ca 0.15 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3h59 h ARG 510 Cb 0.58 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3h59 h ARG 510 CO 0.04 0.58 0.01 -0.07 -1.07 0.00 0.00 179.97 179.46 3h59 h LEU 511 N 0.60 0.94 -0.47 3.04 3.38 -0.57 -3.21 115.31 119.03 3h59 h LEU 511 Ca 0.16 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3h59 h LEU 511 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h59 h LEU 511 CO -0.02 1.01 0.08 -0.07 0.09 0.00 0.00 178.44 179.53 3h59 h LEU 512 N 0.84 0.74 -1.89 1.67 3.38 -0.20 -2.41 115.31 117.44 3h59 h LEU 512 Ca 0.16 -0.26 0.33 0.00 0.09 0.00 0.00 57.88 58.20 3h59 h LEU 512 Cb 0.52 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3h59 h LEU 512 CO 0.03 0.81 0.82 0.28 0.09 0.00 0.00 178.44 180.47 3h59 h SER 513 N 0.65 0.07 1.25 -0.43 0.02 -1.03 -2.30 113.55 111.78 3h59 h SER 513 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3h59 h SER 513 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3h59 h SER 513 CO 0.01 0.01 -0.39 1.56 -1.14 0.00 0.00 176.83 176.88 3h59 h GLN 514 N 0.06 0.00 0.00 3.45 4.20 -1.47 -3.51 115.11 117.84 3h59 h GLN 514 Ca 0.57 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.34 3h59 h GLN 514 Cb 2.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.89 3h59 h GLN 514 CO -0.06 0.00 -0.09 0.41 -0.67 0.00 0.00 178.83 178.42 3h59 n GLY 515 N 1.27 -1.95 7.00 3.46 0.00 -0.87 -4.84 105.19 109.26 3h59 n GLY 515 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.10 1.38 0.37 -0.02 0.00 -1.26 -1.34 105.19 103.21 3h59 n GLY 516 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 0.60 -0.66 1.61 3.08 -1.93 -1.60 114.38 115.47 3h59 h ARG 517 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3h59 h ARG 517 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3h59 h ARG 517 CO 0.00 0.40 0.27 0.00 -1.07 0.00 0.00 179.97 179.57 3h59 h ALA 518 N 1.62 0.85 -0.44 0.04 0.00 -1.80 -1.77 119.26 117.76 3h59 h ALA 518 Ca 0.37 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3h59 h ALA 518 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h59 h ALA 518 CO -0.14 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.49 3h59 h ALA 519 N 1.12 1.03 -0.74 0.00 0.00 -0.25 -1.65 119.26 118.77 3h59 h ALA 519 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h59 h ALA 519 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3h59 h ALA 519 CO -0.02 0.59 0.37 1.15 0.00 0.00 0.00 179.25 181.34 3h59 h THR 520 N 0.71 1.24 -0.28 0.00 2.02 -1.16 -0.81 112.91 114.63 3h59 h THR 520 Ca 0.13 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.68 3h59 h THR 520 Cb 0.55 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3h59 h THR 520 CO 0.03 0.28 0.09 0.00 0.37 0.00 0.00 175.52 176.29 3h59 h GLY 522 N 0.22 -0.01 0.94 0.00 0.00 -0.89 -1.20 103.07 102.12 3h59 h GLY 522 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3h59 h GLY 522 CO -0.13 -0.01 -0.20 1.70 0.00 0.00 0.00 176.54 177.91 3h59 h LYS 523 N -0.02 -0.51 0.01 4.80 3.64 -0.98 -2.70 116.57 120.81 3h59 h LYS 523 Ca -0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3h59 h LYS 523 Cb 0.01 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3h59 h LYS 523 CO 0.00 -0.34 -0.15 1.88 -2.27 0.00 0.00 179.45 178.57 3h59 h TYR 524 N -0.53 0.13 -0.03 1.91 -1.99 -1.29 -3.09 116.97 112.09 3h59 h TYR 524 Ca -0.04 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 3h59 h TYR 524 Cb 0.42 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 3h59 h TYR 524 CO -0.08 0.94 -0.47 -0.07 -0.00 0.00 0.00 178.16 178.48 3h59 h LEU 525 N -0.71 0.07 -2.95 3.88 3.38 -1.33 -3.31 115.31 114.34 3h59 h LEU 525 Ca -0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h59 h LEU 525 Cb 0.99 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3h59 h LEU 525 CO 0.03 0.53 -0.08 0.49 0.09 0.00 0.00 178.44 179.50 3h59 n PHE 526 N -3.98 0.00 0.01 1.13 3.72 -1.02 -4.64 117.46 112.67 3h59 n PHE 526 Ca -0.02 -0.99 0.09 0.00 -0.05 0.00 0.00 57.45 56.49 3h59 n PHE 526 Cb 0.50 -0.15 0.51 0.00 -0.94 0.00 0.00 39.48 39.40 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 0.09 0.31 -0.05 4.37 -0.00 -1.63 -1.47 115.58 117.21 3h59 h ASN 527 Ca -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.31 3h59 h ASN 527 Cb 1.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 39.28 3h59 h ASN 527 CO 0.00 0.20 0.17 4.11 -0.00 0.00 0.00 177.43 181.91 3h59 h TRP 528 N 0.35 0.00 0.00 0.67 5.08 -1.82 -3.00 115.95 117.23 3h59 h TRP 528 Ca 0.19 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.16 3h59 h TRP 528 Cb 0.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3h59 h TRP 528 CO -0.00 0.00 -0.71 0.00 -1.28 0.00 0.00 178.44 176.45 3h59 h ALA 529 N 1.71 0.57 -3.44 0.11 0.00 -1.63 -3.46 119.26 113.12 3h59 h ALA 529 Ca 0.03 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.28 3h59 h ALA 529 Cb 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.99 3h59 h ALA 529 CO -0.00 0.00 -0.75 0.14 0.00 0.00 0.00 179.25 178.64 3h59 s VAL 530 N -3.22 3.15 -0.05 0.00 -7.23 -1.14 -4.83 120.40 107.08 3h59 s VAL 530 Ca 0.04 -1.46 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 3h59 s VAL 530 Cb 0.12 -2.49 -0.22 0.00 0.56 0.00 0.00 36.38 34.34 3h59 s VAL 530 CO 0.74 0.04 1.07 0.07 -0.31 0.00 0.00 175.10 176.71 3h59 h LYS 531 N 3.43 0.13 -5.41 4.82 2.10 -1.90 -3.41 116.57 116.33 3h59 h LYS 531 Ca -0.49 -0.12 -0.65 0.00 -2.00 0.00 0.00 60.65 57.39 3h59 h LYS 531 Cb 1.18 0.03 -0.15 0.00 -0.90 0.00 0.00 32.23 32.39 3h59 h LYS 531 CO 0.51 0.82 0.17 0.95 -2.00 0.00 0.00 179.45 179.90 3h59 s THR 532 N -3.36 4.78 -0.01 0.07 -4.23 -1.26 -5.01 115.64 106.63 3h59 s THR 532 Ca -0.16 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 3h59 s THR 532 Cb 0.01 -4.26 -0.05 0.00 1.34 0.00 0.00 72.50 69.54 3h59 s THR 532 CO 0.72 -0.68 0.59 -0.54 -0.54 0.00 0.00 174.62 174.17 3h59 s LYS 533 N 2.92 4.31 0.82 3.99 3.01 -1.26 -5.08 119.74 128.45 3h59 s LYS 533 Ca 0.23 0.72 -0.11 0.00 -1.01 0.00 0.00 55.97 55.80 3h59 s LYS 533 Cb -0.15 -3.34 0.08 0.00 -1.01 0.00 0.00 37.83 33.42 3h59 s LYS 533 CO 0.18 0.37 1.10 -0.51 0.51 0.00 0.00 175.35 177.01 3h59 s LEU 534 N -0.20 2.88 -0.27 3.17 1.02 -1.26 -5.03 118.68 118.99 3h59 s LEU 534 Ca 0.31 1.84 -0.19 0.00 0.02 0.00 0.00 54.13 56.11 3h59 s LEU 534 Cb -0.18 -4.44 -0.02 0.00 0.02 0.00 0.00 46.19 41.57 3h59 s LEU 534 CO 0.17 -2.32 0.55 -0.75 0.02 0.00 0.00 176.35 174.02 3h59 s LYS 535 N -4.86 4.04 -0.48 1.70 2.20 -1.26 -5.04 119.74 116.04 3h59 s LYS 535 Ca 0.62 0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 56.42 3h59 s LYS 535 Cb -0.18 -3.66 0.08 0.00 -1.51 0.00 0.00 37.83 32.55 3h59 s LYS 535 CO 0.57 -0.40 0.42 -0.51 -0.36 0.00 0.00 175.35 175.07 3h59 s LEU 536 N 2.38 5.62 0.35 5.43 1.02 -1.26 -5.06 118.68 127.16 3h59 s LEU 536 Ca 0.22 -1.34 0.08 0.00 0.02 0.00 0.00 54.13 53.12 3h59 s LEU 536 Cb -0.16 -2.21 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 3h59 s LEU 536 CO 0.09 -0.69 0.25 0.42 0.02 0.00 0.00 176.35 176.45 3h59 s THR 537 N 1.72 3.26 0.27 5.49 -4.23 -1.26 -5.06 115.64 115.83 3h59 s THR 537 Ca 0.05 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.78 3h59 s THR 537 Cb -0.24 -3.10 -0.11 0.00 1.34 0.00 0.00 72.50 70.39 3h59 s THR 537 CO 0.07 -0.16 1.60 -2.84 -0.54 0.00 0.00 174.62 172.75 3h59 s PRO 538 N -3.96 4.14 -0.20 3.99 0.02 -1.26 -4.93 135.00 132.80 3h59 s PRO 538 Ca 0.41 2.55 -0.29 0.00 0.02 0.00 0.00 61.00 63.68 3h59 s PRO 538 Cb -0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3h59 s PRO 538 CO 0.25 -0.63 1.13 0.42 -0.33 0.00 0.00 177.00 177.84 3h59 s ILE 539 N 0.20 4.52 0.19 2.83 1.01 -1.26 -4.96 121.20 123.72 3h59 s ILE 539 Ca 0.65 1.84 -0.20 0.00 0.00 0.00 0.00 60.65 62.94 3h59 s ILE 539 Cb -0.47 -4.19 0.13 0.00 0.01 0.00 0.00 42.46 37.94 3h59 s ILE 539 CO 0.45 -0.16 1.59 -0.65 0.00 0.00 0.00 174.94 176.17 3h59 h PRO 540 N 7.74 -0.15 -0.11 2.79 0.11 -2.03 -1.63 132.00 138.72 3h59 h PRO 540 Ca -0.22 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.93 3h59 h PRO 540 Cb 1.08 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h59 h PRO 540 CO 0.97 -0.10 0.12 0.00 -0.21 0.00 0.00 178.00 178.79 3h59 h ALA 541 N 1.04 1.73 -0.80 -0.75 0.00 -2.00 -2.53 119.26 115.95 3h59 h ALA 541 Ca 0.24 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3h59 h ALA 541 Cb 0.54 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3h59 h ALA 541 CO -0.67 -0.18 0.39 0.00 0.00 0.00 0.00 179.25 178.79 3h59 h ALA 542 N 1.86 1.17 0.00 0.00 0.00 -1.62 -1.20 119.26 119.48 3h59 h ALA 542 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h59 h ALA 542 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h59 h ALA 542 CO -0.00 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3h59 n SER 543 N -4.89 0.00 0.02 0.00 3.41 -0.95 -2.74 113.62 108.47 3h59 n SER 543 Ca 0.15 0.38 -0.03 0.00 -0.26 0.00 0.00 58.87 59.11 3h59 n SER 543 Cb 0.39 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 3h59 n SER 543 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h59 h ARG 544 N 0.00 0.00 -6.03 4.33 3.08 -1.40 -3.48 114.38 110.88 3h59 h ARG 544 Ca 0.00 0.00 -0.81 0.00 0.07 0.00 0.00 59.98 59.24 3h59 h ARG 544 Cb 0.45 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.54 3h59 h ARG 544 CO 0.00 0.37 0.36 1.28 -1.07 0.00 0.00 179.97 180.92 3h59 n LEU 545 N -2.96 0.69 -4.44 3.04 4.77 -0.55 -4.88 117.00 112.68 3h59 n LEU 545 Ca -0.12 1.16 -0.44 0.00 -0.03 0.00 0.00 56.01 56.59 3h59 n LEU 545 Cb 0.91 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3h59 n LEU 545 CO 0.44 -1.38 0.78 -0.62 -1.33 0.00 0.00 177.39 175.28 3h59 s ASP 546 N 1.30 6.34 -0.48 -1.43 2.15 -1.26 -4.86 116.67 118.43 3h59 s ASP 546 Ca 0.96 -1.46 0.03 0.00 0.43 0.00 0.00 52.55 52.51 3h59 s ASP 546 Cb -1.31 -2.39 0.57 0.00 -0.30 0.00 0.00 42.92 39.48 3h59 s ASP 546 CO 0.65 -1.25 1.85 0.18 -0.17 0.00 0.00 175.17 176.43 3h59 n LEU 547 N 7.04 6.54 -4.77 -1.34 4.32 -1.26 -4.96 117.00 122.58 3h59 n LEU 547 Ca 0.06 -3.91 -0.39 0.00 -0.02 0.00 0.00 56.01 51.75 3h59 n LEU 547 Cb 0.46 -0.82 -0.06 0.00 -1.62 0.00 0.00 43.42 41.38 3h59 n LEU 547 CO 0.58 1.27 0.68 -0.94 -1.22 0.00 0.00 177.39 177.77 3h59 s SER 548 N -1.78 7.37 0.00 -1.43 1.04 -1.26 -2.94 113.70 114.69 3h59 s SER 548 Ca 0.57 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.98 3h59 s SER 548 Cb 0.47 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 64.00 3h59 s SER 548 CO 0.05 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3h59 n GLY 549 N 0.97 2.92 3.72 7.32 0.00 -1.26 -5.05 105.19 113.81 3h59 n GLY 549 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.52 3.62 -1.16 1.61 0.52 -1.15 -4.19 118.94 115.67 3h59 s TRP 550 Ca 0.00 1.42 -0.07 0.00 0.02 0.00 0.00 56.10 57.48 3h59 s TRP 550 Cb 0.00 -2.91 0.01 0.00 -1.15 0.00 0.00 33.47 29.41 3h59 s TRP 550 CO 0.00 0.07 1.01 1.19 0.02 0.00 0.00 176.95 179.24 3h59 n PHE 551 N 3.73 -2.44 -0.10 -1.98 3.72 -1.26 -4.92 117.46 114.20 3h59 n PHE 551 Ca 0.01 0.88 -0.15 0.00 -0.05 0.00 0.00 57.45 58.14 3h59 n PHE 551 Cb 0.51 -4.53 -0.05 0.00 -0.94 0.00 0.00 39.48 34.47 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 -4.57 1.50 -4.13 -4.37 0.31 -1.23 -4.21 118.33 101.63 3h59 n VAL 552 Ca -0.02 0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.16 3h59 n VAL 552 Cb 0.56 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 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 -2.75 0.97 0.12 3.52 0.00 -1.25 -4.00 121.76 118.36 3h59 s ALA 553 Ca -0.30 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.05 3h59 s ALA 553 Cb 0.07 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 3h59 s ALA 553 CO 0.43 -0.76 0.29 0.20 0.00 0.00 0.00 175.76 175.92 3h59 s GLY 554 N -3.25 2.02 -0.05 0.00 0.00 -1.26 -4.91 107.32 99.87 3h59 s GLY 554 Ca 0.33 -0.83 0.19 0.00 0.00 0.00 0.00 44.72 44.41 3h59 s GLY 554 CO 0.21 -0.80 1.14 -1.72 0.00 0.00 0.00 173.10 171.93 3h59 n TYR 555 N -0.10 0.06 -1.67 1.90 4.01 -0.21 -4.62 117.16 116.52 3h59 n TYR 555 Ca -0.05 -0.76 -0.47 0.00 -0.16 0.00 0.00 57.90 56.45 3h59 n TYR 555 Cb 0.52 0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.58 3h59 n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h59 n SER 556 N 0.15 3.26 0.00 7.72 2.88 -1.26 -0.48 113.62 125.89 3h59 n SER 556 Ca -0.03 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 3h59 n SER 556 Cb 0.99 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 3h59 n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h59 n GLY 557 N 3.91 0.82 0.79 0.46 0.00 -1.26 -4.15 105.19 105.76 3h59 n GLY 557 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.35 0.68 3.30 -0.02 0.00 0.37 -2.81 105.19 104.35 3h59 n GLY 558 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 0.90 -2.25 -4.54 1.61 2.03 -1.26 -4.56 116.55 108.48 3h59 n ASP 559 Ca 0.16 -0.58 -0.33 0.00 0.52 0.00 0.00 54.79 54.56 3h59 n ASP 559 Cb 0.50 -4.87 -0.12 0.00 -0.72 0.00 0.00 41.12 35.92 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 -3.34 3.47 -0.05 5.18 -1.09 -1.26 -4.35 121.20 119.77 3h59 s ILE 560 Ca 0.03 -0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3h59 s ILE 560 Cb -0.01 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.49 3h59 s ILE 560 CO 0.69 0.60 -0.00 -0.47 -1.23 0.00 0.00 174.94 174.52 3h59 s TYR 561 N -0.77 0.50 -0.87 3.97 5.04 0.43 -1.60 117.35 124.05 3h59 s TYR 561 Ca 0.12 -0.07 0.07 0.00 -2.44 0.00 0.00 57.07 54.74 3h59 s TYR 561 Cb -0.11 -0.59 0.06 0.00 0.35 0.00 0.00 41.96 41.67 3h59 s TYR 561 CO 0.01 -0.21 0.72 0.72 -1.34 0.00 0.00 175.55 175.46