#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1m h SER 0 N 0.00 0.07 -3.65 0.00 0.02 -1.96 -3.42 113.55 104.61 3h1m h SER 0 Ca 0.00 0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 3h1m h SER 0 Cb 0.00 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 62.40 3h1m h SER 0 CO 0.00 0.07 -0.74 -0.04 -1.14 0.00 0.00 176.83 174.99 3h1m s MET 1 N -6.17 2.27 -0.22 3.45 1.00 -1.26 -4.44 119.30 113.92 3h1m s MET 1 Ca -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 55.69 54.62 3h1m s MET 1 Cb 0.11 -2.35 0.07 0.00 0.00 0.00 0.00 34.83 32.66 3h1m s MET 1 CO 0.70 0.55 0.06 -0.65 0.00 0.00 0.00 175.02 175.68 3h1m s GLN 2 N -1.80 0.56 0.26 2.03 -0.21 -0.82 -4.96 119.66 114.72 3h1m s GLN 2 Ca 0.19 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 54.75 3h1m s GLN 2 Cb -0.11 -1.96 -0.11 0.00 1.00 0.00 0.00 33.01 31.83 3h1m s GLN 2 CO 0.10 -0.75 1.60 0.21 -2.12 0.00 0.00 175.29 174.34 3h1m s LYS 3 N 1.87 4.14 -0.04 2.91 2.20 -1.26 0.01 119.74 129.57 3h1m s LYS 3 Ca 0.02 2.54 -0.13 0.00 -0.36 0.00 0.00 55.97 58.05 3h1m s LYS 3 Cb -0.17 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 3h1m s LYS 3 CO -0.14 -0.63 0.34 -0.51 -0.36 0.00 0.00 175.35 174.04 3h1m s LEU 4 N -0.06 4.44 -0.32 5.43 1.43 0.80 -4.61 118.68 125.79 3h1m s LEU 4 Ca 0.66 0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 3h1m s LEU 4 Cb -0.47 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 3h1m s LEU 4 CO 0.43 0.33 0.33 -0.63 0.23 0.00 0.00 176.35 177.05 3h1m s ILE 5 N -0.98 5.20 -0.05 -0.59 1.01 0.39 -4.72 121.20 121.45 3h1m s ILE 5 Ca 0.21 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.03 3h1m s ILE 5 Cb -0.15 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3h1m s ILE 5 CO 0.11 0.01 -0.11 0.20 0.00 0.00 0.00 174.94 175.15 3h1m s ASN 6 N 1.72 4.33 0.31 3.58 0.01 -1.26 -0.48 114.94 123.14 3h1m s ASN 6 Ca 0.11 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.85 3h1m s ASN 6 Cb -0.16 -0.99 -0.10 0.00 0.41 0.00 0.00 41.25 40.40 3h1m s ASN 6 CO 0.11 0.35 1.31 -0.44 -1.51 0.00 0.00 177.10 176.92 3h1m s SER 7 N -0.84 6.79 -0.27 -1.22 0.01 -1.21 -4.84 113.70 112.13 3h1m s SER 7 Ca 0.12 2.64 -0.03 0.00 1.31 0.00 0.00 55.95 60.00 3h1m s SER 7 Cb -0.11 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.51 3h1m s SER 7 CO 0.02 -0.53 -0.02 -0.69 0.41 0.00 0.00 173.24 172.42 3h1m s VAL 8 N -0.89 3.13 -0.21 3.43 1.01 -1.26 0.10 120.40 125.71 3h1m s VAL 8 Ca 0.51 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 3h1m s VAL 8 Cb -0.39 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3h1m s VAL 8 CO 0.50 0.12 1.15 -1.10 0.00 0.00 0.00 175.10 175.78 3h1m s GLN 9 N 1.35 4.21 -0.69 2.72 -1.52 -0.25 -4.97 119.66 120.51 3h1m s GLN 9 Ca -0.00 1.46 -0.03 0.00 -1.95 0.00 0.00 55.36 54.83 3h1m s GLN 9 Cb -0.17 -3.71 0.16 0.00 -0.22 0.00 0.00 33.01 29.06 3h1m s GLN 9 CO -0.02 -0.71 2.48 0.09 -0.25 0.00 0.00 175.29 176.87 3h1m n ASN 10 N 6.57 6.99 -4.74 5.90 5.03 -1.26 -1.17 115.26 132.57 3h1m n ASN 10 Ca 0.13 -3.40 -0.37 0.00 0.87 0.00 0.00 54.58 51.81 3h1m n ASN 10 Cb 0.46 -1.20 0.05 0.00 -1.02 0.00 0.00 39.78 38.07 3h1m n ASN 10 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3h1m s TYR 11 N -2.43 2.20 0.63 3.10 2.02 -1.26 -4.75 117.35 116.86 3h1m s TYR 11 Ca 0.55 1.45 0.29 0.00 -0.37 0.00 0.00 57.07 58.99 3h1m s TYR 11 Cb 0.36 -3.71 1.53 0.00 -0.40 0.00 0.00 41.96 39.75 3h1m s TYR 11 CO -0.26 -2.82 1.90 0.00 -1.57 0.00 0.00 175.55 172.80 3h1m h ALA 12 N 0.95 1.69 -0.02 3.71 0.00 -1.94 -2.15 119.26 121.50 3h1m h ALA 12 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3h1m h ALA 12 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h1m h ALA 12 CO 0.55 -0.49 -0.08 -2.67 0.00 0.00 0.00 179.25 176.55 3h1m n TRP 13 N -3.23 0.00 -1.39 0.00 4.27 -1.26 -4.93 117.44 110.90 3h1m n TRP 13 Ca 0.02 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.33 3h1m n TRP 13 Cb 0.50 -0.02 0.11 0.00 -1.36 0.00 0.00 31.31 30.54 3h1m n TRP 13 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 3h1m s GLY 14 N -2.13 1.63 -0.10 -1.67 0.00 -0.81 -2.25 107.32 101.99 3h1m s GLY 14 Ca 0.31 -0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.71 3h1m s GLY 14 CO 0.38 0.34 0.68 -0.45 0.00 0.00 0.00 173.10 174.05 3h1m s SER 15 N -3.67 6.90 0.57 1.64 0.15 -1.13 -4.24 113.70 113.92 3h1m s SER 15 Ca 0.62 1.09 0.37 0.00 0.70 0.00 0.00 55.95 58.73 3h1m s SER 15 Cb -0.16 -2.39 1.76 0.00 -1.71 0.00 0.00 66.02 63.52 3h1m s SER 15 CO 0.55 -0.16 2.11 0.11 1.20 0.00 0.00 173.24 177.05 3h1m h LYS 16 N 6.93 0.00 0.00 5.44 1.57 -1.87 -1.30 116.57 127.34 3h1m h LYS 16 Ca -0.38 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 3h1m h LYS 16 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 3h1m h LYS 16 CO 0.77 0.00 -1.14 0.25 -0.57 0.00 0.00 179.45 178.76 3h1m n THR 17 N -2.99 0.14 -0.35 -0.16 -2.24 -1.26 -4.79 114.28 102.63 3h1m n THR 17 Ca -0.01 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 3h1m n THR 17 Cb 0.19 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 3h1m n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1m h ALA 18 N 0.02 -0.35 -0.66 6.98 0.00 -1.94 1.00 119.26 124.32 3h1m h ALA 18 Ca -0.05 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3h1m h ALA 18 Cb 1.09 1.19 -0.03 0.00 0.00 0.00 0.00 17.79 20.04 3h1m h ALA 18 CO -0.01 -0.86 0.16 -0.07 0.00 0.00 0.00 179.25 178.47 3h1m h LEU 19 N -0.08 0.98 0.52 0.00 3.38 -1.89 0.26 115.31 118.49 3h1m h LEU 19 Ca 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3h1m h LEU 19 Cb 0.50 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3h1m h LEU 19 CO -0.88 0.94 -0.31 0.74 0.09 0.00 0.00 178.44 179.03 3h1m h THR 20 N 0.99 0.36 -0.34 0.22 2.02 -1.22 0.23 112.91 115.18 3h1m h THR 20 Ca 0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.46 3h1m h THR 20 Cb 0.35 0.36 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 3h1m h THR 20 CO 0.00 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.40 3h1m h GLU 21 N -0.79 -0.10 -0.14 6.66 5.08 -0.13 0.17 114.58 125.33 3h1m h GLU 21 Ca -0.06 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3h1m h GLU 21 Cb 0.64 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3h1m h GLU 21 CO 0.07 -0.07 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.57 3h1m h LEU 22 N -0.10 0.57 -0.24 1.33 3.38 -0.51 -3.40 115.31 116.34 3h1m h LEU 22 Ca 0.17 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3h1m h LEU 22 Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3h1m h LEU 22 CO -0.41 1.05 0.00 -1.22 0.09 0.00 0.00 178.44 177.95 3h1m n TYR 23 N -4.32 0.00 -1.69 1.13 4.01 0.05 -4.90 117.16 111.44 3h1m n TYR 23 Ca -0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.55 3h1m n TYR 23 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 3h1m n TYR 23 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1m n GLY 24 N 0.43 0.76 3.70 2.72 0.00 0.60 -4.86 105.19 108.54 3h1m n GLY 24 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3h1m n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1m s ILE 25 N -2.51 3.13 0.24 -0.61 1.01 -1.20 -4.92 121.20 116.33 3h1m s ILE 25 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 3h1m s ILE 25 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 3h1m s ILE 25 CO 0.00 0.02 1.27 0.00 0.00 0.00 0.00 174.94 176.24 3h1m s ALA 26 N 1.93 3.50 -0.40 9.38 0.00 -1.26 -3.68 121.76 131.22 3h1m s ALA 26 Ca 0.69 1.11 0.10 0.00 0.00 0.00 0.00 51.96 53.86 3h1m s ALA 26 Cb -0.38 -3.46 0.34 0.00 0.00 0.00 0.00 23.12 19.62 3h1m s ALA 26 CO 0.30 -0.50 0.87 -1.71 0.00 0.00 0.00 175.76 174.72 3h1m n ASN 27 N 2.01 -0.32 -0.27 0.00 5.15 -1.26 -5.00 115.26 115.56 3h1m n ASN 27 Ca 0.04 -3.26 0.05 0.00 -0.60 0.00 0.00 54.58 50.80 3h1m n ASN 27 Cb 0.43 0.31 0.28 0.00 -0.53 0.00 0.00 39.78 40.26 3h1m n ASN 27 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h1m h PRO 28 N 3.00 0.91 -0.00 1.20 0.13 -1.98 -1.02 132.00 134.24 3h1m h PRO 28 Ca 0.03 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3h1m h PRO 28 Cb 1.02 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3h1m h PRO 28 CO 0.37 0.60 -0.01 1.04 -0.23 0.00 0.00 178.00 179.77 3h1m n GLN 29 N -4.49 0.42 -3.63 0.86 1.13 -1.26 -4.92 117.38 105.49 3h1m n GLN 29 Ca 0.13 -0.01 -0.24 0.00 -1.94 0.00 0.00 57.00 54.94 3h1m n GLN 29 Cb 0.22 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.14 3h1m n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3h1m n GLN 30 N -1.28 -7.31 -2.24 -1.09 1.13 -0.39 -4.99 117.38 101.21 3h1m n GLN 30 Ca 0.14 0.79 -0.36 0.00 -1.94 0.00 0.00 57.00 55.63 3h1m n GLN 30 Cb 0.25 -5.80 -0.00 0.00 0.11 0.00 0.00 30.24 24.80 3h1m n GLN 30 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3h1m s GLN 31 N -6.23 3.51 0.09 -1.09 -1.52 -1.26 -4.90 119.66 108.27 3h1m s GLN 31 Ca 0.50 1.70 -0.31 0.00 -1.95 0.00 0.00 55.36 55.30 3h1m s GLN 31 Cb -0.23 -2.18 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 3h1m s GLN 31 CO 0.75 -0.74 1.44 -1.25 -0.25 0.00 0.00 175.29 175.23 3h1m s PRO 32 N -3.03 4.29 -0.52 2.91 0.04 -1.26 -4.29 135.00 133.13 3h1m s PRO 32 Ca 0.69 2.11 -0.05 0.00 0.04 0.00 0.00 61.00 63.79 3h1m s PRO 32 Cb -0.26 -3.33 0.14 0.00 0.04 0.00 0.00 34.50 31.08 3h1m s PRO 32 CO 0.31 -0.51 0.36 -1.64 0.04 0.00 0.00 177.00 175.55 3h1m s MET 33 N 1.50 2.41 -0.07 4.56 -1.94 -0.49 -4.17 119.30 121.10 3h1m s MET 33 Ca 0.66 -2.09 -0.26 0.00 -1.71 0.00 0.00 55.69 52.29 3h1m s MET 33 Cb -0.37 -3.77 -0.24 0.00 2.01 0.00 0.00 34.83 32.46 3h1m s MET 33 CO 0.30 -1.15 0.99 0.00 -0.01 0.00 0.00 175.02 175.15 3h1m h ALA 34 N 7.78 0.02 -3.72 3.03 0.00 -1.32 -3.00 119.26 122.04 3h1m h ALA 34 Ca -0.10 -0.44 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 3h1m h ALA 34 Cb 1.02 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.52 3h1m h ALA 34 CO 0.75 0.01 -0.73 -1.21 0.00 0.00 0.00 179.25 178.06 3h1m s GLU 35 N -3.04 0.13 -0.27 0.00 2.02 -1.12 -0.32 118.70 116.10 3h1m s GLU 35 Ca -0.17 -0.01 -0.10 0.00 0.02 0.00 0.00 54.97 54.71 3h1m s GLU 35 Cb -0.00 -0.18 -0.05 0.00 0.10 0.00 0.00 34.13 34.01 3h1m s GLU 35 CO 0.72 -0.01 0.17 -1.17 0.02 0.00 0.00 175.26 174.98 3h1m s LEU 36 N 0.21 3.95 -0.17 1.80 2.96 0.28 -1.09 118.68 126.61 3h1m s LEU 36 Ca -0.02 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 3h1m s LEU 36 Cb -0.03 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3h1m s LEU 36 CO -0.01 -0.02 0.21 0.26 -1.32 0.00 0.00 176.35 175.47 3h1m s TRP 37 N 1.58 3.45 -0.36 5.38 0.52 0.12 -1.73 118.94 127.91 3h1m s TRP 37 Ca 0.07 0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.68 3h1m s TRP 37 Cb -0.15 -2.22 0.11 0.00 -1.15 0.00 0.00 33.47 30.05 3h1m s TRP 37 CO 0.09 0.31 0.11 -1.64 0.02 0.00 0.00 176.95 175.84 3h1m s MET 38 N 0.26 1.19 0.00 4.98 -1.94 0.13 -3.31 119.30 120.61 3h1m s MET 38 Ca 0.13 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 3h1m s MET 38 Cb -0.12 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.11 3h1m s MET 38 CO 0.01 -1.00 0.00 0.41 -0.01 0.00 0.00 175.02 174.43 3h1m n GLY 39 N 4.29 -0.68 2.38 -0.03 0.00 -1.26 -2.03 105.19 107.85 3h1m n GLY 39 Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 3h1m n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1m n ALA 40 N 0.00 3.44 -1.78 4.61 0.00 -1.26 0.50 120.51 126.02 3h1m n ALA 40 Ca 0.00 -3.10 -0.41 0.00 0.00 0.00 0.00 53.44 49.93 3h1m n ALA 40 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3h1m n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h1m s HIS 41 N -3.46 2.80 -0.39 0.00 5.04 -1.26 -4.70 115.29 113.32 3h1m s HIS 41 Ca 0.36 0.79 0.23 0.00 -1.54 0.00 0.00 55.06 54.90 3h1m s HIS 41 Cb 0.36 -4.04 1.03 0.00 0.04 0.00 0.00 32.58 29.97 3h1m s HIS 41 CO -0.02 -3.51 1.69 -0.35 -2.34 0.00 0.00 174.74 170.21 3h1m n PRO 42 N 2.31 0.17 0.00 2.88 -0.04 -1.26 -1.83 135.00 137.23 3h1m n PRO 42 Ca 0.08 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 3h1m n PRO 42 Cb 0.38 -1.90 0.23 0.00 -0.04 0.00 0.00 33.50 32.17 3h1m n PRO 42 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h1m n LYS 43 N -2.24 0.14 -2.66 0.54 4.76 -1.26 -4.72 118.16 112.72 3h1m n LYS 43 Ca 0.01 -0.08 -0.04 0.00 -2.87 0.00 0.00 58.31 55.33 3h1m n LYS 43 Cb 0.16 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.91 3h1m n LYS 43 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3h1m n SER 44 N -1.36 -1.17 -4.77 4.39 2.88 -0.94 -5.17 113.62 107.48 3h1m n SER 44 Ca 0.06 -1.20 -0.35 0.00 -1.33 0.00 0.00 58.87 56.06 3h1m n SER 44 Cb 0.34 0.60 0.02 0.00 -0.75 0.00 0.00 64.21 64.43 3h1m n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3h1m s SER 45 N 0.39 5.39 0.85 -3.46 0.15 -0.76 -4.53 113.70 111.73 3h1m s SER 45 Ca 0.24 2.17 -0.11 0.00 0.70 0.00 0.00 55.95 58.96 3h1m s SER 45 Cb 0.18 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 62.01 3h1m s SER 45 CO -0.09 -1.44 1.10 -0.44 1.20 0.00 0.00 173.24 173.57 3h1m s SER 46 N -1.97 3.79 0.10 5.45 0.01 0.18 -4.67 113.70 116.59 3h1m s SER 46 Ca 0.72 1.78 0.04 0.00 1.31 0.00 0.00 55.95 59.80 3h1m s SER 46 Cb -0.24 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 3h1m s SER 46 CO 0.33 -2.48 -0.11 -0.13 0.41 0.00 0.00 173.24 171.25 3h1m s ARG 47 N -4.85 0.87 0.33 12.44 0.52 0.37 -0.51 118.95 128.12 3h1m s ARG 47 Ca 0.63 -1.14 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 3h1m s ARG 47 Cb -0.19 -0.63 -0.07 0.00 0.52 0.00 0.00 34.95 34.59 3h1m s ARG 47 CO 0.57 0.11 0.02 0.96 0.02 0.00 0.00 175.30 176.98 3h1m s ILE 48 N -2.24 1.47 -0.23 1.52 -4.36 -0.63 -0.46 121.20 116.26 3h1m s ILE 48 Ca 0.05 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.38 3h1m s ILE 48 Cb -0.04 -2.77 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 3h1m s ILE 48 CO 0.01 -0.07 -0.04 0.42 0.24 0.00 0.00 174.94 175.50 3h1m s THR 49 N -3.10 3.29 0.13 8.37 -4.23 -1.26 0.11 115.64 118.96 3h1m s THR 49 Ca 0.35 -0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 59.94 3h1m s THR 49 Cb 0.08 -2.54 -0.10 0.00 1.34 0.00 0.00 72.50 71.28 3h1m s THR 49 CO 0.15 0.36 1.52 0.74 -0.54 0.00 0.00 174.62 176.86 3h1m h THR 50 N 5.80 0.00 0.00 3.99 2.02 0.30 -3.46 112.91 121.56 3h1m h THR 50 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3h1m h THR 50 Cb 1.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3h1m h THR 50 CO 0.60 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.49 3h1m n ALA 51 N -3.11 0.00 -2.46 6.16 0.00 -1.26 -4.65 120.51 115.19 3h1m n ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3h1m n ALA 51 Cb 0.31 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.81 3h1m n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1m n GLY 53 N 0.00 2.30 3.91 0.00 0.00 -1.26 -5.21 105.19 104.93 3h1m n GLY 53 Ca 0.00 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 3h1m n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1m s GLU 54 N -2.04 3.47 -0.05 1.61 -6.30 -1.26 -5.03 118.70 109.10 3h1m s GLU 54 Ca 0.34 -0.34 -0.22 0.00 -2.50 0.00 0.00 54.97 52.25 3h1m s GLU 54 Cb 0.37 -3.03 -0.04 0.00 0.00 0.00 0.00 34.13 31.42 3h1m s GLU 54 CO -0.09 0.61 0.65 -0.08 0.02 0.00 0.00 175.26 176.37 3h1m s THR 55 N -1.47 5.01 0.02 -1.70 -1.32 -1.26 0.25 115.64 115.17 3h1m s THR 55 Ca 0.33 1.35 0.05 0.00 -1.21 0.00 0.00 61.69 62.21 3h1m s THR 55 Cb -0.13 -3.99 -0.02 0.00 -1.51 0.00 0.00 72.50 66.85 3h1m s THR 55 CO 0.25 0.31 -0.16 0.54 -2.21 0.00 0.00 174.62 173.35 3h1m s VAL 56 N 0.48 1.24 0.15 5.08 0.11 0.12 -4.90 120.40 122.68 3h1m s VAL 56 Ca 0.35 -0.91 -0.34 0.00 -2.93 0.00 0.00 61.98 58.14 3h1m s VAL 56 Cb -0.18 -1.08 -0.14 0.00 -1.53 0.00 0.00 36.38 33.45 3h1m s VAL 56 CO 0.17 0.16 1.53 -0.24 -3.33 0.00 0.00 175.10 173.39 3h1m n SER 57 N 2.17 2.84 -0.06 3.54 2.88 -1.26 -1.61 113.62 122.12 3h1m n SER 57 Ca -0.17 1.09 -0.06 0.00 -1.33 0.00 0.00 58.87 58.41 3h1m n SER 57 Cb 0.54 -1.39 0.13 0.00 -0.75 0.00 0.00 64.21 62.75 3h1m n SER 57 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3h1m h LEU 58 N 5.60 0.69 -0.29 2.46 5.85 -1.12 -1.35 115.31 127.15 3h1m h LEU 58 Ca -0.45 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.07 3h1m h LEU 58 Cb 1.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3h1m h LEU 58 CO 0.86 0.88 0.12 -0.09 -0.34 0.00 0.00 178.44 179.87 3h1m h ARG 59 N 0.61 0.25 -0.67 1.25 2.43 -1.84 -1.15 114.38 115.26 3h1m h ARG 59 Ca 0.09 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3h1m h ARG 59 Cb 0.66 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3h1m h ARG 59 CO 0.05 0.16 0.44 -0.44 -1.51 0.00 0.00 179.97 178.67 3h1m h ASP 60 N 0.26 0.78 0.33 -3.80 3.32 -1.86 -2.39 116.42 113.06 3h1m h ASP 60 Ca 0.13 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 3h1m h ASP 60 Cb 0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3h1m h ASP 60 CO -0.12 0.57 -0.69 0.00 -1.72 0.00 0.00 179.24 177.28 3h1m h ALA 61 N 1.57 0.69 -0.26 3.45 0.00 -0.98 -2.99 119.26 120.76 3h1m h ALA 61 Ca 0.25 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3h1m h ALA 61 Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h1m h ALA 61 CO -0.05 0.77 -0.04 0.82 0.00 0.00 0.00 179.25 180.74 3h1m h ILE 62 N 0.22 1.28 -0.33 0.00 2.04 -1.03 -3.16 117.51 116.53 3h1m h ILE 62 Ca -0.02 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 64.83 3h1m h ILE 62 Cb 1.24 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3h1m h ILE 62 CO 0.11 0.32 0.22 -0.08 0.00 0.00 0.00 178.15 178.73 3h1m h GLU 63 N 0.24 0.37 0.00 2.37 4.81 -1.29 0.13 114.58 121.20 3h1m h GLU 63 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3h1m h GLU 63 Cb 0.50 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3h1m h GLU 63 CO 0.02 0.24 0.00 0.87 -0.73 0.00 0.00 179.01 179.42 3h1m h LYS 64 N 0.38 0.00 -0.99 1.92 6.56 -1.58 -3.38 116.57 119.48 3h1m h LYS 64 Ca 0.13 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.35 3h1m h LYS 64 Cb 0.06 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.31 3h1m h LYS 64 CO -0.03 0.00 -1.14 0.09 -2.06 0.00 0.00 179.45 176.31 3h1m n ASN 65 N -2.98 1.83 -0.08 0.86 3.02 0.29 -4.98 115.26 113.22 3h1m n ASN 65 Ca 0.04 -2.76 -0.07 0.00 -0.03 0.00 0.00 54.58 51.77 3h1m n ASN 65 Cb 0.50 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3h1m n ASN 65 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3h1m h LYS 66 N 2.91 0.06 -0.05 3.52 1.57 -1.34 -0.01 116.57 123.23 3h1m h LYS 66 Ca -0.06 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3h1m h LYS 66 Cb 1.17 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.47 3h1m h LYS 66 CO 0.51 0.04 -0.53 1.15 -0.57 0.00 0.00 179.45 180.04 3h1m h THR 67 N 0.06 1.40 -0.72 -0.16 2.02 -1.87 0.35 112.91 113.99 3h1m h THR 67 Ca 0.14 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 3h1m h THR 67 Cb 0.20 2.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 3h1m h THR 67 CO -0.26 0.57 0.42 0.00 0.37 0.00 0.00 175.52 176.62 3h1m h ALA 68 N 0.39 1.38 0.06 6.16 0.00 -1.87 -0.06 119.26 125.32 3h1m h ALA 68 Ca -0.05 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 3h1m h ALA 68 Cb 1.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3h1m h ALA 68 CO 0.11 0.52 -1.60 0.52 0.00 0.00 0.00 179.25 178.80 3h1m h MET 69 N 1.00 0.12 0.00 0.00 2.07 -0.94 -1.00 114.93 116.17 3h1m h MET 69 Ca 0.26 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 3h1m h MET 69 Cb -0.02 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 3h1m h MET 69 CO -0.05 0.86 -1.83 1.28 1.07 0.00 0.00 176.91 178.24 3h1m n LEU 70 N -3.28 0.15 0.00 1.22 4.77 0.11 -0.80 117.00 119.17 3h1m n LEU 70 Ca -0.17 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3h1m n LEU 70 Cb 1.03 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3h1m n LEU 70 CO 0.47 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3h1m n GLY 71 N 1.28 -0.96 0.26 -0.72 0.00 -0.04 -3.07 105.19 101.94 3h1m n GLY 71 Ca -0.03 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 3h1m n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h1m h GLU 72 N 0.00 0.86 -0.09 1.61 4.81 -1.85 -1.98 114.58 117.94 3h1m h GLU 72 Ca 0.00 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3h1m h GLU 72 Cb 0.00 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.15 3h1m h GLU 72 CO 0.00 0.65 -0.53 0.00 -0.73 0.00 0.00 179.01 178.39 3h1m h ALA 73 N 1.16 -0.89 -0.44 2.92 0.00 -1.89 -1.56 119.26 118.55 3h1m h ALA 73 Ca 0.22 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3h1m h ALA 73 Cb 0.04 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3h1m h ALA 73 CO -0.04 -1.09 -0.15 0.28 0.00 0.00 0.00 179.25 178.25 3h1m h VAL 74 N -0.61 1.27 -0.56 0.00 2.07 -1.73 -1.34 116.25 115.34 3h1m h VAL 74 Ca 0.03 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 3h1m h VAL 74 Cb 0.70 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3h1m h VAL 74 CO -0.41 0.43 0.16 0.00 0.02 0.00 0.00 177.57 177.77 3h1m h ALA 75 N 1.08 1.22 0.00 1.67 0.00 -1.22 -1.06 119.26 120.95 3h1m h ALA 75 Ca 0.12 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3h1m h ALA 75 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h1m h ALA 75 CO 0.05 0.54 -0.89 -0.91 0.00 0.00 0.00 179.25 178.04 3h1m h ASN 76 N 0.83 0.00 0.14 0.00 2.35 -1.05 -2.72 115.58 115.13 3h1m h ASN 76 Ca 0.19 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.65 3h1m h ASN 76 Cb 0.27 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3h1m h ASN 76 CO -0.01 0.57 -1.40 0.03 -1.65 0.00 0.00 177.43 174.97 3h1m h ARG 77 N 0.00 0.30 0.00 0.81 2.47 -1.05 -3.43 114.38 113.48 3h1m h ARG 77 Ca -0.07 -0.52 -0.00 0.00 -1.26 0.00 0.00 59.98 58.13 3h1m h ARG 77 Cb 1.49 0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 30.00 3h1m h ARG 77 CO 0.06 1.25 -1.02 1.19 0.56 0.00 0.00 179.97 182.02 3h1m n PHE 78 N -3.87 0.00 -1.01 3.04 3.72 -0.43 -5.03 117.46 113.88 3h1m n PHE 78 Ca -0.23 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3h1m n PHE 78 Cb 0.94 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.47 3h1m n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h1m n GLY 79 N 2.95 0.47 3.83 1.37 0.00 -1.02 -4.95 105.19 107.84 3h1m n GLY 79 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 3h1m n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1m s GLU 80 N -0.60 0.87 -0.24 1.61 -1.05 -1.26 -5.00 118.70 113.02 3h1m s GLU 80 Ca 0.00 -0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 54.00 3h1m s GLU 80 Cb 0.00 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 3h1m s GLU 80 CO 0.00 -0.40 1.74 -1.17 0.95 0.00 0.00 175.26 176.38 3h1m s LEU 81 N -3.35 3.76 -0.02 1.83 2.96 -1.26 -4.84 118.68 117.76 3h1m s LEU 81 Ca 0.21 1.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.75 3h1m s LEU 81 Cb -0.00 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.30 3h1m s LEU 81 CO 0.01 -1.44 0.96 -0.81 -1.32 0.00 0.00 176.35 173.74 3h1m n PRO 82 N 7.99 1.53 -3.82 0.98 -0.04 -1.26 -4.83 135.00 135.54 3h1m n PRO 82 Ca 0.21 -0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 62.98 3h1m n PRO 82 Cb 0.45 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 3h1m n PRO 82 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3h1m s PHE 83 N -1.61 -0.14 -0.18 0.54 -0.71 -1.26 -4.48 117.98 110.14 3h1m s PHE 83 Ca 0.10 0.32 -0.07 0.00 -1.04 0.00 0.00 56.93 56.24 3h1m s PHE 83 Cb 0.06 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 3h1m s PHE 83 CO 0.05 -0.18 0.04 -1.17 -1.34 0.00 0.00 175.22 172.62 3h1m s LEU 84 N -0.46 3.65 -0.15 -1.99 2.96 0.27 -4.63 118.68 118.33 3h1m s LEU 84 Ca -0.06 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3h1m s LEU 84 Cb -0.04 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3h1m s LEU 84 CO 0.01 0.16 -0.07 0.12 -1.32 0.00 0.00 176.35 175.24 3h1m s PHE 85 N 0.47 2.93 0.05 5.38 5.36 -0.86 -0.97 117.98 130.35 3h1m s PHE 85 Ca 0.02 -0.51 0.05 0.00 -0.96 0.00 0.00 56.93 55.52 3h1m s PHE 85 Cb -0.13 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 3h1m s PHE 85 CO 0.01 -0.17 -0.14 0.15 -1.46 0.00 0.00 175.22 173.61 3h1m s LYS 86 N 0.50 0.90 -0.28 10.12 1.02 0.04 0.17 119.74 132.22 3h1m s LYS 86 Ca -0.06 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.03 3h1m s LYS 86 Cb -0.15 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 3h1m s LYS 86 CO 0.03 0.22 0.13 0.08 -0.92 0.00 0.00 175.35 174.89 3h1m s VAL 87 N -0.97 4.70 -0.17 3.17 1.01 -0.70 -0.66 120.40 126.78 3h1m s VAL 87 Ca 0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 3h1m s VAL 87 Cb -0.08 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3h1m s VAL 87 CO 0.02 0.23 0.20 -0.76 0.00 0.00 0.00 175.10 174.78 3h1m s LEU 88 N 1.66 4.26 -0.51 3.92 1.02 0.17 -0.56 118.68 128.65 3h1m s LEU 88 Ca 0.06 0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.64 3h1m s LEU 88 Cb -0.16 -2.20 0.13 0.00 0.02 0.00 0.00 46.19 43.98 3h1m s LEU 88 CO 0.07 0.20 0.25 0.00 0.02 0.00 0.00 176.35 176.88 3h1m s ALA 90 N -0.20 2.86 -1.58 0.00 0.00 -0.70 -2.90 121.76 119.25 3h1m s ALA 90 Ca 0.17 -1.31 0.27 0.00 0.00 0.00 0.00 51.96 51.08 3h1m s ALA 90 Cb -0.25 -4.14 0.82 0.00 0.00 0.00 0.00 23.12 19.54 3h1m s ALA 90 CO -0.01 -3.06 1.61 0.00 0.00 0.00 0.00 175.76 174.30 3h1m n ALA 91 N 8.91 3.08 -2.30 0.00 0.00 -0.95 -2.49 120.51 126.76 3h1m n ALA 91 Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 3h1m n ALA 91 Cb 0.49 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 3h1m n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h1m s GLN 92 N -2.60 0.61 0.24 0.00 -0.21 -1.18 -5.00 119.66 111.52 3h1m s GLN 92 Ca 0.23 -1.12 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3h1m s GLN 92 Cb 0.19 0.07 -0.09 0.00 1.00 0.00 0.00 33.01 34.18 3h1m s GLN 92 CO 0.54 -0.07 0.94 -2.14 -2.12 0.00 0.00 175.29 172.44 3h1m s PRO 93 N -3.36 4.86 0.35 2.91 0.02 -1.23 -4.66 135.00 133.89 3h1m s PRO 93 Ca 0.03 1.49 0.07 0.00 0.02 0.00 0.00 61.00 62.62 3h1m s PRO 93 Cb 0.03 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 3h1m s PRO 93 CO -0.07 0.51 0.38 -0.51 -0.33 0.00 0.00 177.00 176.99 3h1m s LEU 94 N -1.16 3.69 0.55 -5.54 1.43 0.04 -5.00 118.68 112.68 3h1m s LEU 94 Ca 0.41 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 3h1m s LEU 94 Cb -0.26 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 3h1m s LEU 94 CO 0.32 -0.45 1.35 -0.94 0.23 0.00 0.00 176.35 176.86 3h1m s SER 95 N -4.10 5.26 0.27 2.29 1.04 -1.24 -4.48 113.70 112.74 3h1m s SER 95 Ca 0.44 2.75 -0.29 0.00 0.48 0.00 0.00 55.95 59.33 3h1m s SER 95 Cb -0.07 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.32 3h1m s SER 95 CO 0.29 -1.58 1.28 -0.63 0.98 0.00 0.00 173.24 173.58 3h1m s ILE 96 N -1.31 3.04 0.04 -1.02 1.01 -0.44 -4.63 121.20 117.89 3h1m s ILE 96 Ca 0.72 0.96 0.02 0.00 0.00 0.00 0.00 60.65 62.35 3h1m s ILE 96 Cb -0.40 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 3h1m s ILE 96 CO 0.47 0.19 -0.08 -1.10 0.00 0.00 0.00 174.94 174.42 3h1m s GLN 97 N -1.03 0.55 -0.01 2.79 -0.21 1.00 -0.63 119.66 122.12 3h1m s GLN 97 Ca 0.51 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 55.19 3h1m s GLN 97 Cb -0.37 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 3h1m s GLN 97 CO 0.45 0.07 -0.16 0.08 -2.12 0.00 0.00 175.29 173.60 3h1m s VAL 98 N -1.31 1.27 -0.27 1.09 1.01 0.60 -0.66 120.40 122.13 3h1m s VAL 98 Ca -0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 3h1m s VAL 98 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3h1m s VAL 98 CO 0.01 0.36 0.07 -1.00 0.00 0.00 0.00 175.10 174.54 3h1m s HIS 99 N -0.37 3.10 0.68 5.22 0.09 -1.26 -1.23 115.29 121.52 3h1m s HIS 99 Ca 0.06 -0.72 -0.17 0.00 -0.00 0.00 0.00 55.06 54.24 3h1m s HIS 99 Cb -0.06 -2.24 0.01 0.00 -0.00 0.00 0.00 32.58 30.29 3h1m s HIS 99 CO -0.01 -0.48 1.23 -2.14 -0.00 0.00 0.00 174.74 173.35 3h1m s PRO 100 N 1.55 2.43 1.17 8.40 0.02 -1.26 0.07 135.00 147.37 3h1m s PRO 100 Ca 0.05 1.85 -0.18 0.00 0.02 0.00 0.00 61.00 62.74 3h1m s PRO 100 Cb -0.16 -1.86 0.27 0.00 0.02 0.00 0.00 34.50 32.77 3h1m s PRO 100 CO 0.03 -1.64 1.10 0.54 -0.33 0.00 0.00 177.00 176.69 3h1m s ASN 101 N -1.77 1.22 0.08 2.53 2.20 -1.26 -4.64 114.94 113.30 3h1m s ASN 101 Ca 0.77 0.79 -0.32 0.00 -0.94 0.00 0.00 52.86 53.16 3h1m s ASN 101 Cb -0.32 -1.15 -0.14 0.00 -2.00 0.00 0.00 41.25 37.64 3h1m s ASN 101 CO 0.41 -3.96 1.50 0.50 -2.94 0.00 0.00 177.10 172.62 3h1m h LYS 102 N -2.46 -0.77 -0.42 3.55 3.64 -1.90 -0.01 116.57 118.19 3h1m h LYS 102 Ca -0.48 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 3h1m h LYS 102 Cb 1.31 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 33.22 3h1m h LYS 102 CO 0.40 -0.51 -0.54 -0.09 -2.27 0.00 0.00 179.45 176.44 3h1m h ARG 103 N -0.80 -0.35 0.00 1.90 2.43 -1.94 -1.88 114.38 113.73 3h1m h ARG 103 Ca -0.03 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3h1m h ARG 103 Cb 0.74 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3h1m h ARG 103 CO -0.16 -0.23 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.08 3h1m h ASN 104 N -0.36 0.00 -0.16 -3.80 2.35 -1.92 -2.69 115.58 109.00 3h1m h ASN 104 Ca 0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3h1m h ASN 104 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3h1m h ASN 104 CO -0.59 0.07 -0.24 0.28 -1.65 0.00 0.00 177.43 175.31 3h1m h SER 105 N 0.00 0.49 -0.42 5.81 0.02 -0.22 -1.13 113.55 118.10 3h1m h SER 105 Ca -0.00 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.50 3h1m h SER 105 Cb 0.33 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 3h1m h SER 105 CO 0.01 0.91 0.03 -0.33 -1.14 0.00 0.00 176.83 176.31 3h1m h GLU 106 N 0.08 0.14 -0.32 3.45 5.08 -0.92 0.43 114.58 122.51 3h1m h GLU 106 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3h1m h GLU 106 Cb 0.80 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3h1m h GLU 106 CO 0.05 0.09 0.16 0.82 -1.00 0.00 0.00 179.01 179.14 3h1m h ILE 107 N 0.14 1.15 -0.32 3.13 2.04 -1.52 0.17 117.51 122.31 3h1m h ILE 107 Ca 0.21 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 3h1m h ILE 107 Cb 0.28 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3h1m h ILE 107 CO -0.32 0.15 -0.10 1.23 0.00 0.00 0.00 178.15 179.11 3h1m h GLY 108 N 0.38 0.68 0.80 5.37 0.00 -0.81 0.36 103.07 109.85 3h1m h GLY 108 Ca 0.11 -0.58 0.03 0.00 0.00 0.00 0.00 47.33 46.88 3h1m h GLY 108 CO -0.02 0.53 0.12 -2.75 0.00 0.00 0.00 176.54 174.43 3h1m h PHE 109 N 0.40 0.22 -0.52 5.60 3.57 -0.00 -0.49 116.94 125.72 3h1m h PHE 109 Ca 0.08 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 3h1m h PHE 109 Cb 0.61 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3h1m h PHE 109 CO 0.05 0.11 -0.03 0.00 -2.23 0.00 0.00 178.31 176.21 3h1m h ALA 110 N 1.17 0.96 -0.03 2.41 0.00 -0.46 -1.08 119.26 122.23 3h1m h ALA 110 Ca 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h1m h ALA 110 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h1m h ALA 110 CO -0.11 0.62 0.01 0.87 0.00 0.00 0.00 179.25 180.64 3h1m h LYS 111 N 0.83 0.05 -0.45 0.00 1.57 0.12 0.13 116.57 118.82 3h1m h LYS 111 Ca 0.15 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3h1m h LYS 111 Cb 0.54 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3h1m h LYS 111 CO 0.03 0.18 -0.07 0.93 -0.57 0.00 0.00 179.45 179.94 3h1m h GLU 112 N -0.09 0.78 -0.46 3.15 5.08 -1.01 -2.48 114.58 119.55 3h1m h GLU 112 Ca 0.01 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3h1m h GLU 112 Cb 0.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3h1m h GLU 112 CO -0.00 0.84 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.89 3h1m h ASN 113 N 0.71 0.83 -0.91 1.42 2.35 -1.03 -2.19 115.58 116.77 3h1m h ASN 113 Ca 0.13 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.61 3h1m h ASN 113 Cb 0.54 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3h1m h ASN 113 CO 0.03 0.97 0.59 0.00 -1.65 0.00 0.00 177.43 177.37 3h1m h ALA 114 N 0.89 1.51 0.00 -0.83 0.00 -0.53 -0.15 119.26 120.15 3h1m h ALA 114 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h1m h ALA 114 Cb 0.57 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h1m h ALA 114 CO 0.03 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3h1m n ALA 115 N -2.39 2.51 -2.27 0.00 0.00 -0.95 -4.90 120.51 112.50 3h1m n ALA 115 Ca 0.14 -0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 3h1m n ALA 115 Cb 0.20 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 3h1m n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1m n GLY 116 N 0.68 -0.19 3.68 0.00 0.00 -0.07 -4.97 105.19 104.32 3h1m n GLY 116 Ca 0.17 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3h1m n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1m s ILE 117 N -2.90 4.46 0.61 -0.61 1.01 -0.84 -4.97 121.20 117.95 3h1m s ILE 117 Ca 0.00 1.76 -0.19 0.00 0.00 0.00 0.00 60.65 62.22 3h1m s ILE 117 Cb 0.00 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3h1m s ILE 117 CO 0.00 -0.06 1.22 -2.65 0.00 0.00 0.00 174.94 173.45 3h1m n PRO 118 N 5.66 1.21 0.29 2.79 -0.02 -1.26 -4.75 135.00 138.92 3h1m n PRO 118 Ca 0.11 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 3h1m n PRO 118 Cb 0.46 -2.44 0.86 0.00 -0.02 0.00 0.00 33.50 32.36 3h1m n PRO 118 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3h1m h MET 119 N 0.77 0.00 -0.21 -0.52 4.05 -1.97 -2.72 114.93 114.34 3h1m h MET 119 Ca -0.50 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.84 3h1m h MET 119 Cb 1.34 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 3h1m h MET 119 CO 0.54 0.00 -0.15 -0.40 0.23 0.00 0.00 176.91 177.13 3h1m n ASP 120 N -3.99 2.53 -4.85 1.39 3.85 -1.26 -4.90 116.55 109.33 3h1m n ASP 120 Ca -0.03 -3.57 -0.32 0.00 -0.71 0.00 0.00 54.79 50.16 3h1m n ASP 120 Cb 0.09 -0.57 -0.04 0.00 -1.35 0.00 0.00 41.12 39.26 3h1m n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h1m s ALA 121 N -3.12 3.19 0.45 2.12 0.00 -1.03 -4.98 121.76 118.39 3h1m s ALA 121 Ca 0.41 0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.55 3h1m s ALA 121 Cb 0.37 -2.93 1.00 0.00 0.00 0.00 0.00 23.12 21.56 3h1m s ALA 121 CO 0.00 -0.01 2.07 0.00 0.00 0.00 0.00 175.76 177.82 3h1m h ALA 122 N 1.39 1.78 -0.01 0.00 0.00 -1.94 -1.85 119.26 118.64 3h1m h ALA 122 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3h1m h ALA 122 Cb 1.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h1m h ALA 122 CO 0.63 0.18 0.01 0.93 0.00 0.00 0.00 179.25 181.00 3h1m h GLU 123 N 0.28 0.00 -6.11 0.00 3.07 -1.93 -3.43 114.58 106.45 3h1m h GLU 123 Ca 0.07 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.36 3h1m h GLU 123 Cb 0.04 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 3h1m h GLU 123 CO -0.01 0.00 0.84 0.50 -1.40 0.00 0.00 179.01 178.94 3h1m s ARG 124 N -4.55 4.24 -0.05 2.33 6.06 -0.70 -4.89 118.95 121.39 3h1m s ARG 124 Ca -0.05 1.47 0.09 0.00 -2.50 0.00 0.00 55.73 54.74 3h1m s ARG 124 Cb 0.15 -3.70 -0.13 0.00 0.06 0.00 0.00 34.95 31.33 3h1m s ARG 124 CO 0.52 -0.67 0.12 0.09 -2.50 0.00 0.00 175.30 172.86 3h1m n ASN 125 N 6.46 2.80 -4.13 -2.12 3.02 -1.26 -4.94 115.26 115.10 3h1m n ASN 125 Ca 0.13 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.34 3h1m n ASN 125 Cb 0.46 1.07 -0.14 0.00 -0.61 0.00 0.00 39.78 40.55 3h1m n ASN 125 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h1m s TYR 126 N -2.43 3.32 -1.17 3.10 2.02 -1.26 -0.89 117.35 120.04 3h1m s TYR 126 Ca -0.04 -2.13 0.11 0.00 -0.37 0.00 0.00 57.07 54.65 3h1m s TYR 126 Cb 0.04 -2.18 0.21 0.00 -0.40 0.00 0.00 41.96 39.63 3h1m s TYR 126 CO 0.38 -0.85 1.08 1.63 -1.57 0.00 0.00 175.55 176.22 3h1m n LYS 127 N 4.54 1.82 -3.72 -0.62 5.02 -1.18 -4.68 118.16 119.34 3h1m n LYS 127 Ca -0.12 -1.66 -0.13 0.00 -2.02 0.00 0.00 58.31 54.38 3h1m n LYS 127 Cb 0.43 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 3h1m n LYS 127 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h1m s ASP 128 N -0.98 -0.47 0.09 4.39 2.15 -1.26 -4.70 116.67 115.89 3h1m s ASP 128 Ca 0.19 0.89 0.19 0.00 0.43 0.00 0.00 52.55 54.25 3h1m s ASP 128 Cb 0.11 0.91 0.79 0.00 -0.30 0.00 0.00 42.92 44.43 3h1m s ASP 128 CO 0.15 -0.17 1.59 -0.81 -0.17 0.00 0.00 175.17 175.76 3h1m n PRO 129 N 2.77 0.07 -3.77 4.34 -0.04 -1.26 -4.61 135.00 132.50 3h1m n PRO 129 Ca -0.14 0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 3h1m n PRO 129 Cb 0.57 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3h1m n PRO 129 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3h1m s ASN 130 N -3.45 5.27 -0.25 3.54 3.84 -1.26 -2.22 114.94 120.39 3h1m s ASN 130 Ca 0.07 -0.53 -0.18 0.00 0.21 0.00 0.00 52.86 52.43 3h1m s ASN 130 Cb 0.10 -0.92 -0.03 0.00 -0.55 0.00 0.00 41.25 39.86 3h1m s ASN 130 CO 0.34 -0.40 0.51 -2.28 -2.79 0.00 0.00 177.10 172.48 3h1m s HIS 131 N -2.33 3.28 -0.25 0.43 5.65 -1.26 -4.83 115.29 115.98 3h1m s HIS 131 Ca 0.42 0.65 -0.13 0.00 0.25 0.00 0.00 55.06 56.25 3h1m s HIS 131 Cb -0.05 -2.71 -0.04 0.00 -1.18 0.00 0.00 32.58 28.59 3h1m s HIS 131 CO 0.27 -0.26 0.27 -1.59 -0.65 0.00 0.00 174.74 172.78 3h1m s LYS 132 N 2.22 4.04 1.09 2.88 0.00 -1.26 -4.93 119.74 123.78 3h1m s LYS 132 Ca 0.21 -0.11 -0.12 0.00 0.00 0.00 0.00 55.97 55.95 3h1m s LYS 132 Cb -0.16 -3.61 0.24 0.00 0.00 0.00 0.00 37.83 34.31 3h1m s LYS 132 CO 0.09 -0.12 1.06 -1.25 0.00 0.00 0.00 175.35 175.13 3h1m s PRO 133 N 1.59 -0.30 -0.27 1.78 0.04 -1.26 -4.96 135.00 131.61 3h1m s PRO 133 Ca 0.12 0.90 -0.15 0.00 0.04 0.00 0.00 61.00 61.91 3h1m s PRO 133 Cb -0.15 -1.62 0.08 0.00 0.04 0.00 0.00 34.50 32.85 3h1m s PRO 133 CO 0.08 -3.33 0.66 -2.00 0.04 0.00 0.00 177.00 172.45 3h1m s GLU 134 N -4.59 0.67 -0.11 4.56 2.12 -1.26 -4.35 118.70 115.74 3h1m s GLU 134 Ca 0.67 1.18 0.03 0.00 0.36 0.00 0.00 54.97 57.21 3h1m s GLU 134 Cb -0.23 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.28 3h1m s GLU 134 CO 0.62 -0.15 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.82 3h1m s LEU 135 N 1.61 2.30 -0.08 2.70 2.96 -0.68 -1.04 118.68 126.45 3h1m s LEU 135 Ca -0.10 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3h1m s LEU 135 Cb -0.05 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 3h1m s LEU 135 CO -0.19 0.16 -0.11 0.54 -1.32 0.00 0.00 176.35 175.43 3h1m s VAL 136 N 0.36 3.30 -0.11 1.68 0.11 -0.28 -1.24 120.40 124.22 3h1m s VAL 136 Ca -0.16 -0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 58.25 3h1m s VAL 136 Cb -0.17 -2.34 0.04 0.00 -1.53 0.00 0.00 36.38 32.38 3h1m s VAL 136 CO 0.08 0.58 0.02 0.12 -3.33 0.00 0.00 175.10 172.56 3h1m s PHE 137 N -0.49 0.69 -0.01 1.54 5.36 0.80 -1.00 117.98 124.86 3h1m s PHE 137 Ca 0.07 -0.33 -0.30 0.00 -0.96 0.00 0.00 56.93 55.40 3h1m s PHE 137 Cb -0.12 -0.83 -0.05 0.00 -0.34 0.00 0.00 43.02 41.68 3h1m s PHE 137 CO 0.02 -0.41 1.28 0.00 -1.46 0.00 0.00 175.22 174.65 3h1m s ALA 138 N 1.97 3.51 -0.19 11.12 0.00 -0.64 0.46 121.76 137.99 3h1m s ALA 138 Ca 0.03 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.86 3h1m s ALA 138 Cb -0.14 -3.53 -0.22 0.00 0.00 0.00 0.00 23.12 19.23 3h1m s ALA 138 CO -0.06 -0.76 0.08 1.28 0.00 0.00 0.00 175.76 176.31 3h1m n LEU 139 N 5.01 1.31 -4.44 0.00 4.77 0.02 -1.11 117.00 122.56 3h1m n LEU 139 Ca 0.11 0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 3h1m n LEU 139 Cb 0.45 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 3h1m n LEU 139 CO 0.57 0.66 -0.29 0.42 -1.33 0.00 0.00 177.39 177.42 3h1m s THR 140 N -2.52 1.26 0.16 -5.08 -4.23 -0.99 -4.71 115.64 99.53 3h1m s THR 140 Ca -0.18 -2.02 -0.34 0.00 -1.18 0.00 0.00 61.69 57.97 3h1m s THR 140 Cb 0.07 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 71.04 3h1m s THR 140 CO 0.75 -0.06 1.48 -2.65 -0.54 0.00 0.00 174.62 173.60 3h1m n PRO 141 N -0.66 1.88 -3.91 3.99 -0.02 -1.26 -4.43 135.00 130.59 3h1m n PRO 141 Ca -0.03 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 3h1m n PRO 141 Cb 0.66 -2.39 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 3h1m n PRO 141 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h1m s PHE 142 N 0.62 2.15 0.16 6.00 5.36 -0.30 -4.38 117.98 127.60 3h1m s PHE 142 Ca 0.78 -1.56 -0.24 0.00 -0.96 0.00 0.00 56.93 54.96 3h1m s PHE 142 Cb -0.74 -1.49 -0.08 0.00 -0.34 0.00 0.00 43.02 40.38 3h1m s PHE 142 CO 0.42 -0.73 0.73 -1.17 -1.46 0.00 0.00 175.22 173.01 3h1m s LEU 143 N 1.48 4.56 0.16 6.12 2.96 0.99 -1.10 118.68 133.85 3h1m s LEU 143 Ca -0.04 1.56 -0.23 0.00 -0.22 0.00 0.00 54.13 55.19 3h1m s LEU 143 Cb -0.18 -3.26 0.07 0.00 0.50 0.00 0.00 46.19 43.32 3h1m s LEU 143 CO -0.07 0.20 0.60 0.00 -1.32 0.00 0.00 176.35 175.77 3h1m s ALA 144 N -1.19 -1.60 0.07 5.97 0.00 0.19 -0.62 121.76 124.59 3h1m s ALA 144 Ca 0.35 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3h1m s ALA 144 Cb -0.22 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3h1m s ALA 144 CO 0.24 -0.77 0.05 -1.64 0.00 0.00 0.00 175.76 173.64 3h1m s MET 145 N -3.75 2.79 -0.27 0.00 -1.94 -0.05 0.14 119.30 116.22 3h1m s MET 145 Ca 0.01 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.21 3h1m s MET 145 Cb -0.01 -2.68 0.14 0.00 2.01 0.00 0.00 34.83 34.29 3h1m s MET 145 CO -0.13 0.57 0.55 1.21 -0.01 0.00 0.00 175.02 177.21 3h1m s ASN 146 N -2.28 -0.83 0.42 3.03 2.47 -0.59 -1.77 114.94 115.39 3h1m s ASN 146 Ca 0.27 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.64 3h1m s ASN 146 Cb -0.12 1.90 0.00 0.00 -1.45 0.00 0.00 41.25 41.58 3h1m s ASN 146 CO 0.20 -0.24 0.00 0.00 -3.72 0.00 0.00 177.10 173.33 3h1m n ALA 147 N 5.42 -2.74 -1.78 1.71 0.00 -0.42 -3.44 120.51 119.26 3h1m n ALA 147 Ca -0.07 0.62 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 3h1m n ALA 147 Cb 0.50 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 3h1m n ALA 147 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3h1m s PHE 148 N -3.60 3.68 0.99 0.00 0.08 -1.26 -0.44 117.98 117.43 3h1m s PHE 148 Ca 0.00 1.75 -0.12 0.00 0.12 0.00 0.00 56.93 58.67 3h1m s PHE 148 Cb 0.00 -3.21 0.18 0.00 -0.57 0.00 0.00 43.02 39.42 3h1m s PHE 148 CO 0.00 -0.31 1.10 1.03 -0.10 0.00 0.00 175.22 176.94 3h1m s ARG 149 N -1.30 0.52 0.34 0.44 0.52 -0.24 -0.24 118.95 119.00 3h1m s ARG 149 Ca 0.44 0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 55.87 3h1m s ARG 149 Cb -0.30 -1.75 -0.11 0.00 0.52 0.00 0.00 34.95 33.31 3h1m s ARG 149 CO 0.38 -2.67 1.45 -1.21 0.02 0.00 0.00 175.30 173.28 3h1m s GLU 150 N -4.99 4.19 0.25 3.54 2.02 -1.26 -4.45 118.70 117.99 3h1m s GLU 150 Ca 0.65 2.46 -0.04 0.00 0.02 0.00 0.00 54.97 58.06 3h1m s GLU 150 Cb -0.18 -3.01 0.47 0.00 0.10 0.00 0.00 34.13 31.51 3h1m s GLU 150 CO 0.57 -0.45 1.71 0.74 0.02 0.00 0.00 175.26 177.86 3h1m h PHE 151 N 3.48 0.45 0.00 1.61 0.04 -1.94 0.18 116.94 120.76 3h1m h PHE 151 Ca -0.49 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.26 3h1m h PHE 151 Cb 1.23 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 3h1m h PHE 151 CO 0.55 0.01 -0.25 0.66 -0.60 0.00 0.00 178.31 178.68 3h1m h SER 152 N 0.39 0.00 -0.19 2.17 4.64 -1.92 0.26 113.55 118.89 3h1m h SER 152 Ca 0.42 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.57 3h1m h SER 152 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3h1m h SER 152 CO -0.44 0.25 -0.53 -0.78 -0.87 0.00 0.00 176.83 174.46 3h1m h ASP 153 N 0.00 0.85 -0.23 4.97 3.58 -1.06 -1.88 116.42 122.66 3h1m h ASP 153 Ca -0.00 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 3h1m h ASP 153 Cb 0.47 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3h1m h ASP 153 CO 0.03 1.22 -0.02 0.40 -2.88 0.00 0.00 179.24 177.99 3h1m h ILE 154 N 0.60 1.27 -0.29 2.25 2.04 -0.66 -2.35 117.51 120.37 3h1m h ILE 154 Ca 0.02 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 64.99 3h1m h ILE 154 Cb 1.11 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 3h1m h ILE 154 CO 0.11 0.30 -0.20 0.58 0.00 0.00 0.00 178.15 178.93 3h1m h VAL 155 N 0.16 0.44 -0.91 1.67 2.07 -0.92 0.41 116.25 119.18 3h1m h VAL 155 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 3h1m h VAL 155 Cb 0.45 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3h1m h VAL 155 CO 0.02 0.00 0.58 -1.28 0.02 0.00 0.00 177.57 176.91 3h1m h SER 156 N -0.18 0.75 1.21 0.57 0.87 -1.29 -1.95 113.55 113.53 3h1m h SER 156 Ca 0.16 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.60 3h1m h SER 156 Cb 0.42 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3h1m h SER 156 CO -0.40 0.41 -0.81 -0.07 -0.53 0.00 0.00 176.83 175.43 3h1m h LEU 157 N 0.81 0.00 0.00 2.23 3.38 -0.60 -3.32 115.31 117.82 3h1m h LEU 157 Ca 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 3h1m h LEU 157 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3h1m h LEU 157 CO -0.21 0.68 -0.79 -0.07 0.09 0.00 0.00 178.44 178.15 3h1m h LEU 158 N 0.00 0.00 -0.46 1.67 3.38 -0.59 -3.39 115.31 115.92 3h1m h LEU 158 Ca -0.04 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3h1m h LEU 158 Cb 1.55 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.21 3h1m h LEU 158 CO 0.08 0.33 -0.17 1.56 0.09 0.00 0.00 178.44 180.34 3h1m h GLN 159 N 0.00 -0.06 0.00 1.13 4.20 -1.46 0.18 115.11 119.09 3h1m h GLN 159 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3h1m h GLN 159 Cb 1.30 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.09 3h1m h GLN 159 CO 0.04 -0.04 0.01 -1.35 -0.67 0.00 0.00 178.83 176.81 3h1m h PRO 160 N -0.07 0.00 -0.15 1.46 0.11 -1.80 -1.09 132.00 130.47 3h1m h PRO 160 Ca 0.22 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 3h1m h PRO 160 Cb 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 3h1m h PRO 160 CO -0.51 0.00 -0.18 1.33 -0.21 0.00 0.00 178.00 178.43 3h1m n VAL 161 N -2.90 2.25 -0.05 3.15 0.24 0.52 -4.78 118.33 116.76 3h1m n VAL 161 Ca -0.03 -2.65 0.24 0.00 -2.04 0.00 0.00 64.34 59.86 3h1m n VAL 161 Cb 0.07 -0.27 0.72 0.00 -1.47 0.00 0.00 33.84 32.89 3h1m n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1m h ALA 162 N 0.89 2.52 -0.18 2.33 0.00 -0.05 -1.02 119.26 123.74 3h1m h ALA 162 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h1m h ALA 162 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3h1m h ALA 162 CO 0.15 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 178.91 3h1m n GLY 163 N -1.61 0.73 0.20 0.00 0.00 -1.26 -4.11 105.19 99.14 3h1m n GLY 163 Ca 0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 3h1m n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1m h ALA 164 N 4.33 0.99 -1.62 4.61 0.00 -1.52 -3.46 119.26 122.59 3h1m h ALA 164 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3h1m h ALA 164 Cb 0.70 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.13 3h1m h ALA 164 CO 0.00 0.62 0.44 -1.58 0.00 0.00 0.00 179.25 178.73 3h1m s HIS 165 N -4.14 -0.49 0.55 0.00 5.65 -1.26 -3.84 115.29 111.76 3h1m s HIS 165 Ca -0.05 1.18 0.24 0.00 0.25 0.00 0.00 55.06 56.67 3h1m s HIS 165 Cb 0.13 0.36 1.47 0.00 -1.18 0.00 0.00 32.58 33.36 3h1m s HIS 165 CO 0.79 -0.24 2.10 0.66 -0.65 0.00 0.00 174.74 177.41 3h1m h SER 166 N 4.21 0.00 0.10 9.88 4.64 -1.89 0.49 113.55 130.97 3h1m h SER 166 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3h1m h SER 166 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h1m h SER 166 CO 0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.00 3h1m h ALA 167 N 1.86 1.73 -0.10 5.18 0.00 -1.95 0.16 119.26 126.13 3h1m h ALA 167 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3h1m h ALA 167 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h1m h ALA 167 CO -0.00 0.09 -0.25 0.82 0.00 0.00 0.00 179.25 179.91 3h1m h ILE 168 N 0.00 1.40 -0.38 0.00 2.04 -1.22 -2.41 117.51 116.94 3h1m h ILE 168 Ca -0.00 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.31 3h1m h ILE 168 Cb 0.14 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3h1m h ILE 168 CO 0.01 0.46 0.21 0.00 0.00 0.00 0.00 178.15 178.83 3h1m h ALA 169 N 0.49 0.48 -0.31 1.87 0.00 -1.24 -1.86 119.26 118.69 3h1m h ALA 169 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3h1m h ALA 169 Cb 0.86 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3h1m h ALA 169 CO 0.05 -0.14 -0.28 1.25 0.00 0.00 0.00 179.25 180.14 3h1m h HIS 170 N 0.43 -0.75 -0.72 0.00 6.17 -0.78 -2.37 115.15 117.13 3h1m h HIS 170 Ca 0.16 0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.34 3h1m h HIS 170 Cb 0.03 0.38 -0.05 0.00 2.52 0.00 0.00 27.41 30.28 3h1m h HIS 170 CO -0.08 -0.35 0.42 0.35 0.71 0.00 0.00 177.93 178.98 3h1m h PHE 171 N -0.25 0.78 -0.62 5.26 3.57 -1.06 -2.83 116.94 121.79 3h1m h PHE 171 Ca 0.15 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3h1m h PHE 171 Cb 0.50 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3h1m h PHE 171 CO -0.46 0.40 0.29 -0.07 -2.23 0.00 0.00 178.31 176.24 3h1m h LEU 172 N 0.79 0.80 -0.32 0.59 3.38 -0.85 -1.32 115.31 118.38 3h1m h LEU 172 Ca 0.31 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3h1m h LEU 172 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3h1m h LEU 172 CO -0.16 0.69 0.17 1.56 0.09 0.00 0.00 178.44 180.79 3h1m h GLN 173 N 0.88 0.45 -2.57 1.13 4.20 -1.22 -3.38 115.11 114.61 3h1m h GLN 173 Ca 0.22 -0.06 -0.58 0.00 0.06 0.00 0.00 58.65 58.29 3h1m h GLN 173 Cb 0.11 -0.09 -0.39 0.00 0.30 0.00 0.00 27.48 27.42 3h1m h GLN 173 CO -0.03 0.39 -0.86 0.08 -0.67 0.00 0.00 178.83 177.74 3h1m s VAL 174 N -5.82 0.24 -1.21 -0.54 1.01 -0.96 -5.07 120.40 108.06 3h1m s VAL 174 Ca -0.13 -1.90 -0.18 0.00 0.00 0.00 0.00 61.98 59.76 3h1m s VAL 174 Cb 0.09 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.37 3h1m s VAL 174 CO 0.72 -1.02 1.61 -2.16 0.00 0.00 0.00 175.10 174.25 3h1m s PRO 175 N 0.88 3.90 0.44 2.72 0.05 -0.54 -4.69 135.00 137.76 3h1m s PRO 175 Ca 0.20 -1.89 0.04 0.00 0.05 0.00 0.00 61.00 59.41 3h1m s PRO 175 Cb -0.19 -5.41 -0.05 0.00 0.05 0.00 0.00 34.50 28.90 3h1m s PRO 175 CO -0.02 -2.16 0.02 0.54 0.05 0.00 0.00 177.00 175.43 3h1m s ASN 176 N 4.16 3.74 0.40 6.66 2.20 -1.26 -4.95 114.94 125.88 3h1m s ASN 176 Ca 0.50 -1.49 0.15 0.00 -0.94 0.00 0.00 52.86 51.07 3h1m s ASN 176 Cb 0.02 0.02 1.00 0.00 -2.00 0.00 0.00 41.25 40.28 3h1m s ASN 176 CO 0.02 -0.64 1.86 0.00 -2.94 0.00 0.00 177.10 175.40 3h1m h ALA 177 N 1.66 2.08 -0.03 3.54 0.00 -1.92 -1.48 119.26 123.10 3h1m h ALA 177 Ca -0.43 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3h1m h ALA 177 Cb 1.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3h1m h ALA 177 CO 0.76 -0.35 -0.44 1.49 0.00 0.00 0.00 179.25 180.71 3h1m h GLU 178 N 0.49 0.36 0.00 0.00 4.81 -1.94 -2.08 114.58 116.22 3h1m h GLU 178 Ca 0.46 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3h1m h GLU 178 Cb 1.01 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3h1m h GLU 178 CO -0.19 1.00 -0.68 0.00 -0.73 0.00 0.00 179.01 178.41 3h1m h ARG 179 N -0.17 0.00 -0.91 1.92 3.08 -1.81 -2.02 114.38 114.47 3h1m h ARG 179 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3h1m h ARG 179 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 3h1m h ARG 179 CO 0.09 0.68 0.54 1.25 -1.07 0.00 0.00 179.97 181.46 3h1m h LEU 180 N 0.00 1.11 -0.15 3.04 5.85 -1.28 0.15 115.31 124.04 3h1m h LEU 180 Ca -0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3h1m h LEU 180 Cb 1.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3h1m h LEU 180 CO 0.09 0.86 0.06 -1.28 -0.34 0.00 0.00 178.44 177.83 3h1m h SER 181 N 1.27 0.20 -0.80 1.25 0.87 -0.76 -1.63 113.55 113.94 3h1m h SER 181 Ca 0.33 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3h1m h SER 181 Cb -0.03 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3h1m h SER 181 CO -0.06 0.32 0.44 1.56 -0.53 0.00 0.00 176.83 178.56 3h1m h GLN 182 N 0.08 1.13 0.10 2.24 4.20 -1.17 -1.91 115.11 119.78 3h1m h GLN 182 Ca 0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3h1m h GLN 182 Cb 0.18 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3h1m h GLN 182 CO -0.00 0.83 -0.05 1.25 -0.67 0.00 0.00 178.83 180.18 3h1m h LEU 183 N 1.13 -0.12 0.11 1.46 5.85 -0.57 0.83 115.31 124.00 3h1m h LEU 183 Ca 0.29 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3h1m h LEU 183 Cb 0.03 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3h1m h LEU 183 CO -0.05 -0.06 -0.38 0.15 -0.34 0.00 0.00 178.44 177.76 3h1m h PHE 184 N -0.16 -1.11 -0.82 1.25 3.57 -1.05 0.49 116.94 119.10 3h1m h PHE 184 Ca -0.01 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.67 3h1m h PHE 184 Cb 0.13 0.47 -0.10 0.00 2.79 0.00 0.00 35.95 39.24 3h1m h PHE 184 CO -0.06 -0.44 0.38 0.00 -2.23 0.00 0.00 178.31 175.95 3h1m h ALA 185 N -0.85 1.22 -0.33 2.41 0.00 -1.39 -1.74 119.26 118.58 3h1m h ALA 185 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h1m h ALA 185 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3h1m h ALA 185 CO -0.20 -0.18 0.15 0.77 0.00 0.00 0.00 179.25 179.79 3h1m h SER 186 N 0.51 0.45 0.24 0.00 0.02 -0.47 -0.54 113.55 113.77 3h1m h SER 186 Ca 0.46 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3h1m h SER 186 Cb 0.72 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 3h1m h SER 186 CO -0.41 0.47 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.56 3h1m h LEU 187 N 0.40 -0.31 -1.59 5.07 3.38 -0.45 -2.41 115.31 119.39 3h1m h LEU 187 Ca 0.11 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.26 3h1m h LEU 187 Cb 0.15 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3h1m h LEU 187 CO -0.01 -0.21 0.52 -0.07 0.09 0.00 0.00 178.44 178.76 3h1m h LEU 188 N -0.34 0.37 -1.16 1.67 3.38 -1.22 -1.91 115.31 116.10 3h1m h LEU 188 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h1m h LEU 188 Cb 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h1m h LEU 188 CO 0.04 0.18 0.00 -3.20 0.09 0.00 0.00 178.44 175.55 3h1m n ASN 189 N -4.47 1.78 -4.68 -0.43 5.15 -0.22 -4.97 115.26 107.41 3h1m n ASN 189 Ca 0.15 -1.63 -0.42 0.00 -0.60 0.00 0.00 54.58 52.08 3h1m n ASN 189 Cb 0.58 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 3h1m n ASN 189 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3h1m n MET 190 N 0.39 1.91 -4.22 1.20 2.81 -0.72 -5.00 117.12 113.49 3h1m n MET 190 Ca 0.18 0.67 -0.18 0.00 -1.81 0.00 0.00 57.70 56.56 3h1m n MET 190 Cb 0.38 -2.27 -0.12 0.00 -0.71 0.00 0.00 33.22 30.49 3h1m n MET 190 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3h1m s GLN 191 N -1.97 0.83 0.00 0.03 -1.52 -1.26 -4.69 119.66 111.07 3h1m s GLN 191 Ca 0.58 -0.86 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 3h1m s GLN 191 Cb -0.56 -0.82 0.00 0.00 -0.22 0.00 0.00 33.01 31.41 3h1m s GLN 191 CO 0.60 0.19 0.00 0.41 -0.25 0.00 0.00 175.29 176.24 3h1m n GLY 192 N 1.53 1.99 0.26 3.09 0.00 -1.26 -1.19 105.19 109.62 3h1m n GLY 192 Ca -0.20 0.26 0.16 0.00 0.00 0.00 0.00 46.02 46.24 3h1m n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h1m h GLU 193 N 0.00 0.00 -0.28 1.61 5.08 -1.98 -0.28 114.58 118.73 3h1m h GLU 193 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3h1m h GLU 193 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3h1m h GLU 193 CO 0.00 0.02 0.10 1.49 -1.00 0.00 0.00 179.01 179.62 3h1m h GLU 194 N 0.00 0.43 -0.16 2.33 4.81 -1.56 -1.32 114.58 119.11 3h1m h GLU 194 Ca -0.00 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3h1m h GLU 194 Cb 0.62 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3h1m h GLU 194 CO 0.00 0.47 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.49 3h1m h LYS 195 N 0.30 0.31 0.00 1.92 3.64 -0.74 -2.44 116.57 119.55 3h1m h LYS 195 Ca 0.09 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3h1m h LYS 195 Cb 0.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3h1m h LYS 195 CO -0.01 0.59 -0.30 0.66 -2.27 0.00 0.00 179.45 178.12 3h1m h SER 196 N 0.00 0.00 -0.52 4.20 4.64 -1.26 0.02 113.55 120.63 3h1m h SER 196 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 3h1m h SER 196 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3h1m h SER 196 CO 0.02 0.30 -0.13 -0.09 -0.87 0.00 0.00 176.83 176.06 3h1m h ARG 197 N 0.00 1.02 -0.03 4.77 2.43 -1.12 -1.13 114.38 120.32 3h1m h ARG 197 Ca -0.00 -0.38 -0.19 0.00 -0.81 0.00 0.00 59.98 58.59 3h1m h ARG 197 Cb 0.63 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3h1m h ARG 197 CO 0.04 1.07 -0.81 0.00 -1.51 0.00 0.00 179.97 178.76 3h1m h ALA 198 N 0.94 0.56 -0.39 2.80 0.00 -0.76 -2.55 119.26 119.87 3h1m h ALA 198 Ca 0.14 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3h1m h ALA 198 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3h1m h ALA 198 CO 0.05 0.84 -0.20 -0.07 0.00 0.00 0.00 179.25 179.87 3h1m h LEU 199 N 0.17 0.76 -0.56 0.00 3.38 -0.88 -1.74 115.31 116.44 3h1m h LEU 199 Ca -0.04 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 3h1m h LEU 199 Cb 1.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3h1m h LEU 199 CO 0.13 0.95 -0.46 0.00 0.09 0.00 0.00 178.44 179.15 3h1m h ALA 200 N 1.11 0.73 0.25 1.53 0.00 -1.07 0.15 119.26 121.96 3h1m h ALA 200 Ca 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3h1m h ALA 200 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h1m h ALA 200 CO 0.05 0.67 -0.12 0.28 0.00 0.00 0.00 179.25 180.13 3h1m h VAL 201 N 0.51 0.80 -0.85 0.00 2.07 -1.19 -1.83 116.25 115.76 3h1m h VAL 201 Ca 0.03 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.40 3h1m h VAL 201 Cb 0.99 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 31.64 3h1m h VAL 201 CO 0.09 0.07 0.43 0.25 0.02 0.00 0.00 177.57 178.42 3h1m h LEU 202 N -0.49 0.50 -0.27 2.57 5.85 -1.03 -1.09 115.31 121.34 3h1m h LEU 202 Ca -0.03 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3h1m h LEU 202 Cb 0.37 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3h1m h LEU 202 CO 0.06 0.19 0.10 0.11 -0.34 0.00 0.00 178.44 178.56 3h1m h LYS 203 N 0.59 0.40 -0.53 1.25 6.56 -0.60 -0.61 116.57 123.64 3h1m h LYS 203 Ca 0.47 -0.08 0.10 0.00 -1.06 0.00 0.00 60.65 60.09 3h1m h LYS 203 Cb 0.70 -0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 32.21 3h1m h LYS 203 CO -0.38 0.44 0.04 0.00 -2.06 0.00 0.00 179.45 177.49 3h1m h ALA 204 N 0.94 0.54 -0.32 3.86 0.00 -0.71 -2.16 119.26 121.42 3h1m h ALA 204 Ca 0.09 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3h1m h ALA 204 Cb 0.19 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3h1m h ALA 204 CO -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 179.25 178.93 3h1m h ALA 205 N 1.45 0.33 -0.74 0.00 0.00 -0.77 -1.58 119.26 117.95 3h1m h ALA 205 Ca 0.27 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.46 3h1m h ALA 205 Cb 0.41 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3h1m h ALA 205 CO -0.41 -0.36 0.58 -0.07 0.00 0.00 0.00 179.25 178.99 3h1m h LEU 206 N 0.16 0.00 -0.19 0.00 3.38 -0.45 0.16 115.31 118.37 3h1m h LEU 206 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3h1m h LEU 206 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3h1m h LEU 206 CO -0.21 0.00 -0.01 0.59 0.09 0.00 0.00 178.44 178.90 3h1m n ASN 207 N -4.12 0.30 -0.19 -0.43 3.02 -0.59 -3.92 115.26 109.32 3h1m n ASN 207 Ca 0.15 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3h1m n ASN 207 Cb 0.86 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3h1m n ASN 207 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h1m n SER 208 N -0.79 0.00 -4.16 6.41 3.41 0.50 -5.07 113.62 113.92 3h1m n SER 208 Ca 0.22 -1.33 -0.22 0.00 -0.26 0.00 0.00 58.87 57.28 3h1m n SER 208 Cb 0.17 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 3h1m n SER 208 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3h1m s GLN 209 N 0.00 1.15 0.14 4.33 -1.52 -0.76 -5.07 119.66 117.93 3h1m s GLN 209 Ca 0.00 -0.69 0.08 0.00 -1.95 0.00 0.00 55.36 52.79 3h1m s GLN 209 Cb 0.00 -1.16 -0.04 0.00 -0.22 0.00 0.00 33.01 31.59 3h1m s GLN 209 CO 0.00 0.30 -0.17 -0.65 -0.25 0.00 0.00 175.29 174.52 3h1m s GLN 210 N -0.79 1.17 3.16 2.91 -1.52 -1.26 -4.85 119.66 118.48 3h1m s GLN 210 Ca 0.05 -1.32 0.00 0.00 -1.95 0.00 0.00 55.36 52.13 3h1m s GLN 210 Cb -0.07 -1.19 0.00 0.00 -0.22 0.00 0.00 33.01 31.53 3h1m s GLN 210 CO 0.01 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.70 3h1m n GLY 211 N 0.46 -0.03 3.90 3.09 0.00 -1.26 -4.82 105.19 106.53 3h1m n GLY 211 Ca -0.15 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 3h1m n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1m s GLU 212 N 0.00 3.59 -0.03 1.61 0.41 -1.26 -0.11 118.70 122.92 3h1m s GLU 212 Ca 0.00 -0.12 0.09 0.00 -0.41 0.00 0.00 54.97 54.53 3h1m s GLU 212 Cb 0.00 -2.93 0.31 0.00 -1.78 0.00 0.00 34.13 29.73 3h1m s GLU 212 CO 0.00 0.53 1.19 -0.35 -0.49 0.00 0.00 175.26 176.14 3h1m n PRO 213 N 0.36 2.03 -0.03 0.39 -0.04 -1.26 -4.88 135.00 131.57 3h1m n PRO 213 Ca -0.05 -1.24 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 3h1m n PRO 213 Cb 0.52 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3h1m n PRO 213 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3h1m h TRP 214 N 1.88 -0.17 -0.63 0.54 4.06 -1.76 -0.91 115.95 118.96 3h1m h TRP 214 Ca 0.00 0.02 0.11 0.00 2.06 0.00 0.00 58.89 61.07 3h1m h TRP 214 Cb 0.64 0.10 -0.08 0.00 -1.00 0.00 0.00 29.16 28.82 3h1m h TRP 214 CO 0.29 -0.12 0.21 0.37 -3.56 0.00 0.00 178.44 175.63 3h1m h GLN 215 N -0.05 0.36 -0.91 0.49 5.75 -0.85 0.15 115.11 120.05 3h1m h GLN 215 Ca 0.09 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3h1m h GLN 215 Cb 0.19 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 3h1m h GLN 215 CO -0.21 0.24 0.60 1.15 -2.65 0.00 0.00 178.83 177.96 3h1m h THR 216 N 0.37 1.24 -0.21 2.39 2.02 -1.68 -0.70 112.91 116.34 3h1m h THR 216 Ca 0.32 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3h1m h THR 216 Cb 0.44 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3h1m h THR 216 CO -0.35 0.23 0.11 0.40 0.37 0.00 0.00 175.52 176.28 3h1m h ILE 217 N 1.24 1.12 -0.63 3.11 2.04 0.38 0.26 117.51 125.02 3h1m h ILE 217 Ca 0.33 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 66.00 3h1m h ILE 217 Cb -0.14 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 3h1m h ILE 217 CO -0.07 0.11 0.10 0.03 0.00 0.00 0.00 178.15 178.32 3h1m h ARG 218 N 0.22 0.21 0.96 2.37 3.08 -0.47 0.24 114.38 120.99 3h1m h ARG 218 Ca 0.07 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3h1m h ARG 218 Cb 0.08 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.09 3h1m h ARG 218 CO -0.01 0.14 -0.49 0.28 -1.07 0.00 0.00 179.97 178.82 3h1m h VAL 219 N 0.22 0.01 -0.77 2.04 2.07 -0.65 -3.01 116.25 116.16 3h1m h VAL 219 Ca 0.34 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.02 3h1m h VAL 219 Cb 0.53 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 3h1m h VAL 219 CO -0.46 0.00 0.23 0.40 0.02 0.00 0.00 177.57 177.76 3h1m h ILE 220 N -1.32 0.53 -0.01 4.57 2.04 -0.50 -1.71 117.51 121.11 3h1m h ILE 220 Ca -0.13 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3h1m h ILE 220 Cb 1.02 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3h1m h ILE 220 CO 0.20 0.06 0.02 0.77 0.00 0.00 0.00 178.15 179.19 3h1m h SER 221 N 0.32 0.00 0.12 1.72 4.64 -0.41 0.16 113.55 120.10 3h1m h SER 221 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3h1m h SER 221 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3h1m h SER 221 CO -0.50 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.13 3h1m h GLU 222 N 0.00 0.00 0.00 4.77 5.08 -1.28 -2.73 114.58 120.42 3h1m h GLU 222 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3h1m h GLU 222 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3h1m h GLU 222 CO -0.00 0.00 -1.15 0.66 -1.00 0.00 0.00 179.01 177.52 3h1m n TYR 223 N -3.02 0.00 -3.14 4.33 4.01 0.44 -4.81 117.16 114.97 3h1m n TYR 223 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 3h1m n TYR 223 Cb 0.10 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 3h1m n TYR 223 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3h1m n TYR 224 N -2.19 2.97 0.36 -0.72 4.01 -0.48 -4.91 117.16 116.20 3h1m n TYR 224 Ca -0.04 -3.98 0.13 0.00 -0.16 0.00 0.00 57.90 53.85 3h1m n TYR 224 Cb 0.56 -0.49 0.55 0.00 -0.31 0.00 0.00 39.34 39.66 3h1m n TYR 224 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3h1m h PRO 225 N 3.43 0.00 -0.23 -0.72 0.13 -1.74 -2.73 132.00 130.14 3h1m h PRO 225 Ca 0.14 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.11 3h1m h PRO 225 Cb 0.65 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.66 3h1m h PRO 225 CO 0.75 0.00 -0.55 -3.47 -0.23 0.00 0.00 178.00 174.49 3h1m n ASP 226 N -2.44 2.66 -4.21 1.44 -0.08 -1.26 -5.01 116.55 107.65 3h1m n ASP 226 Ca 0.02 -3.86 -0.34 0.00 -1.51 0.00 0.00 54.79 49.10 3h1m n ASP 226 Cb 0.23 -0.49 -0.15 0.00 2.34 0.00 0.00 41.12 43.05 3h1m n ASP 226 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3h1m s ASP 227 N -3.29 3.57 0.64 1.67 -1.08 -1.03 -4.98 116.67 112.16 3h1m s ASP 227 Ca 0.42 -0.54 0.26 0.00 -0.52 0.00 0.00 52.55 52.18 3h1m s ASP 227 Cb 0.38 -1.57 1.39 0.00 -1.46 0.00 0.00 42.92 41.66 3h1m s ASP 227 CO -0.04 0.02 1.79 0.28 0.52 0.00 0.00 175.17 177.74 3h1m h SER 228 N 7.83 0.00 0.00 -0.34 0.02 -1.90 0.48 113.55 119.65 3h1m h SER 228 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3h1m h SER 228 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3h1m h SER 228 CO 0.61 0.00 0.09 1.23 -1.14 0.00 0.00 176.83 177.62 3h1m h GLY 229 N 0.00 0.00 2.00 -3.77 0.00 -1.92 -2.45 103.07 96.93 3h1m h GLY 229 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3h1m h GLY 229 CO -0.00 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.95 3h1m h LEU 230 N 0.00 0.00 0.00 3.11 3.38 -1.20 -0.38 115.31 120.22 3h1m h LEU 230 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h1m h LEU 230 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3h1m h LEU 230 CO 0.00 0.00 -0.08 0.49 0.09 0.00 0.00 178.44 178.94 3h1m n PHE 231 N -3.18 0.14 -0.03 1.13 3.72 -0.92 -4.33 117.46 114.00 3h1m n PHE 231 Ca -0.03 0.04 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 3h1m n PHE 231 Cb 0.08 -0.53 0.09 0.00 -0.94 0.00 0.00 39.48 38.17 3h1m n PHE 231 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3h1m h SER 232 N 0.00 0.66 0.01 4.37 4.64 -1.26 -2.51 113.55 119.46 3h1m h SER 232 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3h1m h SER 232 Cb 0.54 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3h1m h SER 232 CO 0.00 0.97 0.00 -2.65 -0.87 0.00 0.00 176.83 174.28 3h1m n PRO 233 N -4.04 0.12 0.11 4.77 -0.02 -1.26 0.33 135.00 135.00 3h1m n PRO 233 Ca -0.02 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 3h1m n PRO 233 Cb 0.51 -1.89 0.36 0.00 -0.02 0.00 0.00 33.50 32.46 3h1m n PRO 233 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h1m h LEU 234 N 0.00 0.00 0.00 2.45 3.38 -1.75 -3.38 115.31 116.01 3h1m h LEU 234 Ca 0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3h1m h LEU 234 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3h1m h LEU 234 CO 0.00 0.01 -1.54 0.18 0.09 0.00 0.00 178.44 177.18 3h1m n LEU 235 N -2.30 2.60 -4.94 1.67 4.77 0.83 -4.55 117.00 115.08 3h1m n LEU 235 Ca 0.05 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 3h1m n LEU 235 Cb 0.44 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3h1m n LEU 235 CO 0.31 0.58 -0.09 -0.76 -1.33 0.00 0.00 177.39 176.11 3h1m s LEU 236 N -5.72 4.33 -0.17 2.23 1.43 0.15 -1.08 118.68 119.85 3h1m s LEU 236 Ca -0.13 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 3h1m s LEU 236 Cb 0.04 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3h1m s LEU 236 CO 0.21 0.06 1.57 0.20 0.23 0.00 0.00 176.35 178.62 3h1m s ASN 237 N -3.11 6.54 -0.29 2.29 0.01 0.42 -4.62 114.94 116.19 3h1m s ASN 237 Ca 0.35 1.79 -0.25 0.00 -0.71 0.00 0.00 52.86 54.04 3h1m s ASN 237 Cb -0.11 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.02 3h1m s ASN 237 CO 0.28 -1.09 0.89 -0.69 -1.51 0.00 0.00 177.10 174.98 3h1m s VAL 238 N 4.62 4.72 -0.00 1.60 1.01 -1.26 -1.54 120.40 129.55 3h1m s VAL 238 Ca 0.69 1.46 0.06 0.00 0.00 0.00 0.00 61.98 64.20 3h1m s VAL 238 Cb -0.27 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 3h1m s VAL 238 CO 0.27 -0.27 -0.19 0.68 0.00 0.00 0.00 175.10 175.60 3h1m s VAL 239 N 3.13 2.70 -0.34 2.92 -7.23 0.12 -4.99 120.40 116.71 3h1m s VAL 239 Ca 0.37 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.46 3h1m s VAL 239 Cb -0.14 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 34.78 3h1m s VAL 239 CO 0.12 0.48 0.11 -0.75 -0.31 0.00 0.00 175.10 174.75 3h1m s LYS 240 N -1.00 2.59 0.07 4.82 2.36 -1.26 -0.64 119.74 126.68 3h1m s LYS 240 Ca 0.12 -1.22 -0.30 0.00 -2.55 0.00 0.00 55.97 52.03 3h1m s LYS 240 Cb -0.10 -3.46 -0.05 0.00 -1.05 0.00 0.00 37.83 33.17 3h1m s LYS 240 CO 0.02 -0.69 1.07 -0.51 1.55 0.00 0.00 175.35 176.79 3h1m s LEU 241 N 1.39 4.41 0.62 5.43 1.43 -0.26 -4.87 118.68 126.82 3h1m s LEU 241 Ca -0.01 1.87 -0.14 0.00 -1.03 0.00 0.00 54.13 54.82 3h1m s LEU 241 Cb -0.20 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 3h1m s LEU 241 CO 0.02 -0.29 1.04 0.20 0.23 0.00 0.00 176.35 177.55 3h1m s ASN 242 N 0.69 5.86 0.07 2.29 0.01 -1.26 -1.15 114.94 121.45 3h1m s ASN 242 Ca 0.53 1.65 -0.37 0.00 -0.71 0.00 0.00 52.86 53.96 3h1m s ASN 242 Cb -0.26 -2.51 -0.17 0.00 0.41 0.00 0.00 41.25 38.72 3h1m s ASN 242 CO 0.30 -1.12 1.30 -2.65 -1.51 0.00 0.00 177.10 173.42 3h1m n PRO 243 N -2.41 0.97 0.00 -0.60 -0.02 -1.26 -1.73 135.00 129.95 3h1m n PRO 243 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3h1m n PRO 243 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3h1m n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1m n GLY 244 N 2.37 1.53 3.90 -1.23 0.00 -0.26 -5.00 105.19 106.50 3h1m n GLY 244 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3h1m n GLY 244 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1m s GLU 245 N -0.98 3.67 0.06 1.61 2.02 -0.71 -4.86 118.70 119.51 3h1m s GLU 245 Ca 0.00 0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.08 3h1m s GLU 245 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 3h1m s GLU 245 CO 0.00 0.22 -0.05 0.00 0.02 0.00 0.00 175.26 175.44 3h1m s ALA 246 N -2.05 0.58 -0.04 5.21 0.00 -1.26 -1.62 121.76 122.59 3h1m s ALA 246 Ca 0.45 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3h1m s ALA 246 Cb -0.11 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.17 3h1m s ALA 246 CO 0.28 -0.18 -0.09 -1.64 0.00 0.00 0.00 175.76 174.14 3h1m s MET 247 N -2.68 1.08 -0.20 0.00 -1.94 -0.17 -1.15 119.30 114.24 3h1m s MET 247 Ca -0.02 -0.28 -0.09 0.00 -1.71 0.00 0.00 55.69 53.59 3h1m s MET 247 Cb -0.02 -0.99 -0.05 0.00 2.01 0.00 0.00 34.83 35.79 3h1m s MET 247 CO -0.03 0.05 0.10 0.12 -0.01 0.00 0.00 175.02 175.25 3h1m s PHE 248 N 0.44 3.34 -0.51 -0.03 5.36 -1.26 -1.13 117.98 124.19 3h1m s PHE 248 Ca -0.07 0.21 -0.18 0.00 -0.96 0.00 0.00 56.93 55.93 3h1m s PHE 248 Cb -0.11 -2.14 0.07 0.00 -0.34 0.00 0.00 43.02 40.50 3h1m s PHE 248 CO 0.01 0.21 0.57 -0.51 -1.46 0.00 0.00 175.22 174.04 3h1m s LEU 249 N 0.43 5.29 0.74 6.12 1.43 -0.20 -5.00 118.68 127.49 3h1m s LEU 249 Ca 0.06 -1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 3h1m s LEU 249 Cb -0.12 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 43.80 3h1m s LEU 249 CO -0.01 -0.87 1.08 -0.36 0.23 0.00 0.00 176.35 176.43 3h1m s PHE 250 N 2.32 2.80 0.75 0.29 0.08 -1.26 -4.29 117.98 118.66 3h1m s PHE 250 Ca 0.11 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 58.50 3h1m s PHE 250 Cb -0.22 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.30 3h1m s PHE 250 CO 0.09 -1.57 1.24 0.00 -0.10 0.00 0.00 175.22 174.87 3h1m s ALA 251 N -2.97 2.05 -1.73 5.36 0.00 -1.26 -3.59 121.76 119.62 3h1m s ALA 251 Ca 0.60 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3h1m s ALA 251 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3h1m s ALA 251 CO 0.56 -2.02 0.00 0.39 0.00 0.00 0.00 175.76 174.69 3h1m n GLU 252 N -2.77 -1.42 -3.80 0.00 1.02 0.11 -4.87 120.64 108.90 3h1m n GLU 252 Ca 0.14 0.99 -0.27 0.00 -0.02 0.00 0.00 57.16 58.00 3h1m n GLU 252 Cb 0.50 -5.44 -0.17 0.00 -0.02 0.00 0.00 31.44 26.31 3h1m n GLU 252 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h1m s THR 253 N -2.85 0.75 0.20 2.62 2.01 -1.24 -1.35 115.64 115.79 3h1m s THR 253 Ca 0.00 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 3h1m s THR 253 Cb 0.00 -1.08 -0.09 0.00 0.01 0.00 0.00 72.50 71.33 3h1m s THR 253 CO 0.00 -0.02 1.43 -2.84 -0.69 0.00 0.00 174.62 172.50 3h1m s PRO 254 N 1.77 4.29 0.14 4.92 0.02 -1.26 -4.54 135.00 140.35 3h1m s PRO 254 Ca 0.00 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.22 3h1m s PRO 254 Cb -0.16 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 3h1m s PRO 254 CO -0.07 -0.42 0.12 -3.38 -0.33 0.00 0.00 177.00 172.91 3h1m s HIS 255 N 0.39 0.76 -0.08 6.54 -3.43 0.17 -1.30 115.29 118.34 3h1m s HIS 255 Ca 0.61 -1.13 -0.17 0.00 -0.80 0.00 0.00 55.06 53.58 3h1m s HIS 255 Cb -0.40 -0.38 0.04 0.00 -1.43 0.00 0.00 32.58 30.40 3h1m s HIS 255 CO 0.38 -0.58 0.41 0.00 -2.00 0.00 0.00 174.74 172.95 3h1m s ALA 256 N -4.03 -1.03 -0.26 -1.38 0.00 -0.73 -0.00 121.76 114.33 3h1m s ALA 256 Ca 0.23 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 3h1m s ALA 256 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3h1m s ALA 256 CO 0.02 -0.25 0.30 0.71 0.00 0.00 0.00 175.76 176.54 3h1m s TYR 257 N -0.65 3.27 -0.16 0.00 2.02 -1.26 -0.87 117.35 119.70 3h1m s TYR 257 Ca -0.07 0.35 0.09 0.00 -0.37 0.00 0.00 57.07 57.06 3h1m s TYR 257 Cb -0.04 -2.48 -0.16 0.00 -0.40 0.00 0.00 41.96 38.89 3h1m s TYR 257 CO 0.03 -0.14 -0.03 1.28 -1.57 0.00 0.00 175.55 175.13 3h1m n LEU 258 N 4.99 1.07 -3.64 -1.29 4.77 0.21 -0.78 117.00 122.33 3h1m n LEU 258 Ca -0.11 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 3h1m n LEU 258 Cb 0.51 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3h1m n LEU 258 CO 0.36 0.52 0.73 -1.58 -1.33 0.00 0.00 177.39 176.09 3h1m s GLN 259 N -2.36 0.48 0.00 3.23 0.74 -1.01 -3.47 119.66 117.27 3h1m s GLN 259 Ca -0.14 0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.89 3h1m s GLN 259 Cb 0.05 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.37 3h1m s GLN 259 CO 0.53 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 3h1m n GLY 260 N 2.52 0.07 3.38 2.59 0.00 -1.04 -0.00 105.19 112.69 3h1m n GLY 260 Ca -0.14 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.27 3h1m n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1m s VAL 261 N -0.24 2.62 0.04 1.61 1.01 -1.26 -1.71 120.40 122.46 3h1m s VAL 261 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3h1m s VAL 261 Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3h1m s VAL 261 CO 0.00 0.57 0.31 0.00 0.00 0.00 0.00 175.10 175.99 3h1m s ALA 262 N -0.40 -0.72 0.13 5.51 0.00 -0.63 -0.80 121.76 124.86 3h1m s ALA 262 Ca 0.04 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 3h1m s ALA 262 Cb -0.12 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 3h1m s ALA 262 CO 0.02 -0.42 0.68 -0.51 0.00 0.00 0.00 175.76 175.53 3h1m s LEU 263 N -2.04 4.54 -0.05 0.00 1.43 0.17 -0.65 118.68 122.08 3h1m s LEU 263 Ca -0.05 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 3h1m s LEU 263 Cb -0.01 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 43.07 3h1m s LEU 263 CO -0.03 0.22 -0.10 -0.70 0.23 0.00 0.00 176.35 175.97 3h1m s GLU 264 N -1.22 1.36 -0.12 1.70 2.12 0.17 -0.14 118.70 122.56 3h1m s GLU 264 Ca 0.33 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 3h1m s GLU 264 Cb -0.21 -1.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.97 3h1m s GLU 264 CO 0.23 0.05 -0.08 0.08 -0.54 0.00 0.00 175.26 174.99 3h1m s VAL 265 N 0.53 3.50 0.36 3.70 1.01 -0.37 -0.78 120.40 128.36 3h1m s VAL 265 Ca -0.10 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 3h1m s VAL 265 Cb -0.13 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3h1m s VAL 265 CO 0.02 0.54 0.62 1.15 0.00 0.00 0.00 175.10 177.42 3h1m n MET 266 N 3.13 0.89 -1.67 2.72 3.85 -0.14 -1.69 117.12 124.21 3h1m n MET 266 Ca -0.18 -2.47 -0.29 0.00 -1.00 0.00 0.00 57.70 53.76 3h1m n MET 266 Cb 0.53 2.68 0.10 0.00 -1.05 0.00 0.00 33.22 35.48 3h1m n MET 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h1m s ALA 267 N -2.42 2.22 0.23 3.17 0.00 -1.26 0.97 121.76 124.67 3h1m s ALA 267 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.79 3h1m s ALA 267 Cb -0.03 -3.03 0.23 0.00 0.00 0.00 0.00 23.12 20.29 3h1m s ALA 267 CO 0.16 -1.88 1.54 -0.91 0.00 0.00 0.00 175.76 174.68 3h1m h ASN 268 N -1.20 0.17 -3.28 0.00 4.21 -1.88 -3.38 115.58 110.22 3h1m h ASN 268 Ca -0.48 -0.10 -0.56 0.00 1.21 0.00 0.00 56.30 56.37 3h1m h ASN 268 Cb 1.31 -0.05 -0.35 0.00 -1.12 0.00 0.00 38.32 38.11 3h1m h ASN 268 CO 0.62 0.78 -0.82 -0.44 -1.29 0.00 0.00 177.43 176.28 3h1m s SER 269 N -6.88 2.25 0.30 5.81 0.01 -1.26 -5.03 113.70 108.90 3h1m s SER 269 Ca -0.03 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.88 3h1m s SER 269 Cb 0.12 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3h1m s SER 269 CO 0.79 -0.01 0.12 1.51 0.41 0.00 0.00 173.24 176.07 3h1m s ASP 270 N 1.07 1.57 -0.11 2.44 -4.77 -1.26 -4.69 116.67 110.92 3h1m s ASP 270 Ca -0.06 -1.48 0.02 0.00 -3.30 0.00 0.00 52.55 47.73 3h1m s ASP 270 Cb -0.15 0.27 -0.01 0.00 -1.09 0.00 0.00 42.92 41.95 3h1m s ASP 270 CO -0.02 -0.81 -0.19 0.20 0.70 0.00 0.00 175.17 175.05 3h1m s ASN 271 N -3.38 3.52 -0.11 2.11 0.01 -1.26 -3.12 114.94 112.71 3h1m s ASN 271 Ca 0.36 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 52.05 3h1m s ASN 271 Cb 0.06 -1.47 0.03 0.00 0.41 0.00 0.00 41.25 40.28 3h1m s ASN 271 CO 0.16 0.17 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.16 3h1m s VAL 272 N 0.31 0.94 -0.13 1.60 1.01 -0.07 -4.30 120.40 119.76 3h1m s VAL 272 Ca -0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3h1m s VAL 272 Cb -0.17 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3h1m s VAL 272 CO 0.07 0.35 0.00 -0.76 0.00 0.00 0.00 175.10 174.76 3h1m s LEU 273 N 1.74 3.52 0.02 3.92 1.43 -0.37 -4.79 118.68 124.16 3h1m s LEU 273 Ca 0.05 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 3h1m s LEU 273 Cb -0.13 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3h1m s LEU 273 CO -0.08 0.26 0.48 -0.13 0.23 0.00 0.00 176.35 177.12 3h1m s ARG 274 N -0.19 4.07 -0.11 1.70 0.52 -1.26 -0.29 118.95 123.38 3h1m s ARG 274 Ca 0.05 0.56 0.15 0.00 -0.52 0.00 0.00 55.73 55.96 3h1m s ARG 274 Cb -0.13 -3.24 0.33 0.00 0.52 0.00 0.00 34.95 32.44 3h1m s ARG 274 CO 0.02 0.63 1.16 0.00 0.02 0.00 0.00 175.30 177.14 3h1m n ALA 275 N 1.90 2.81 0.00 2.13 0.00 0.20 -4.90 120.51 122.65 3h1m n ALA 275 Ca -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.70 3h1m n ALA 275 Cb 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3h1m n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1m n GLY 276 N -0.67 1.70 3.68 0.00 0.00 -1.26 -4.81 105.19 103.83 3h1m n GLY 276 Ca 0.13 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 3h1m n GLY 276 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h1m n LEU 277 N 0.00 -3.19 -3.61 0.99 4.77 -1.26 -1.33 117.00 113.37 3h1m n LEU 277 Ca 0.00 -0.78 -0.16 0.00 -0.03 0.00 0.00 56.01 55.05 3h1m n LEU 277 Cb 0.00 -2.73 -0.07 0.00 -2.33 0.00 0.00 43.42 38.29 3h1m n LEU 277 CO 0.00 0.42 0.33 0.28 -1.33 0.00 0.00 177.39 177.09 3h1m s THR 278 N -3.57 0.01 -2.04 -5.08 -1.32 -1.26 -3.71 115.64 98.67 3h1m s THR 278 Ca 0.09 -0.07 0.28 0.00 -1.21 0.00 0.00 61.69 60.78 3h1m s THR 278 Cb -0.05 -0.89 0.45 0.00 -1.51 0.00 0.00 72.50 70.51 3h1m s THR 278 CO 0.80 -0.04 1.73 -0.81 -2.21 0.00 0.00 174.62 174.09 3h1m n PRO 279 N 1.69 1.14 -2.85 7.08 -0.04 -1.26 -4.95 135.00 135.81 3h1m n PRO 279 Ca -0.17 -0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 62.34 3h1m n PRO 279 Cb 0.56 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 3h1m n PRO 279 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h1m s LYS 280 N -2.27 4.31 0.33 0.54 1.02 -1.26 -5.01 119.74 117.39 3h1m s LYS 280 Ca 0.32 1.12 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 3h1m s LYS 280 Cb 0.20 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.99 3h1m s LYS 280 CO 0.43 0.10 1.38 -0.47 -0.92 0.00 0.00 175.35 175.87 3h1m s TYR 281 N -1.97 2.92 -0.12 3.18 5.04 -1.26 -5.02 117.35 120.12 3h1m s TYR 281 Ca 0.57 1.26 -0.00 0.00 -2.44 0.00 0.00 57.07 56.46 3h1m s TYR 281 Cb -0.12 -3.80 -0.02 0.00 0.35 0.00 0.00 41.96 38.37 3h1m s TYR 281 CO 0.17 -2.34 -0.11 0.42 -1.34 0.00 0.00 175.55 172.35 3h1m s ILE 282 N -0.88 3.26 -0.80 3.14 1.01 -1.26 -5.03 121.20 120.63 3h1m s ILE 282 Ca 0.52 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 3h1m s ILE 282 Cb -0.42 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 39.73 3h1m s ILE 282 CO 0.53 0.53 1.28 -0.62 0.00 0.00 0.00 174.94 176.66 3h1m s ASP 283 N 0.15 6.25 0.08 3.58 -1.08 -1.26 -4.92 116.67 119.47 3h1m s ASP 283 Ca -0.06 -0.78 -0.20 0.00 -0.52 0.00 0.00 52.55 50.99 3h1m s ASP 283 Cb -0.15 -2.54 -0.10 0.00 -1.46 0.00 0.00 42.92 38.68 3h1m s ASP 283 CO 0.04 -1.70 1.60 0.40 0.52 0.00 0.00 175.17 176.04 3h1m h ILE 284 N 6.19 1.18 -0.77 4.11 2.04 -1.97 -1.68 117.51 126.61 3h1m h ILE 284 Ca -0.16 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3h1m h ILE 284 Cb 1.04 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 3h1m h ILE 284 CO 1.30 0.17 0.48 -0.65 0.00 0.00 0.00 178.15 179.46 3h1m h PRO 285 N 0.12 1.02 -0.24 2.37 0.11 -1.99 -0.25 132.00 133.14 3h1m h PRO 285 Ca 0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3h1m h PRO 285 Cb 0.22 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3h1m h PRO 285 CO -0.00 0.70 0.11 1.49 -0.21 0.00 0.00 178.00 180.09 3h1m h GLU 286 N 1.05 0.35 0.05 1.05 4.81 -1.96 0.30 114.58 120.23 3h1m h GLU 286 Ca 0.28 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3h1m h GLU 286 Cb -0.08 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3h1m h GLU 286 CO -0.06 0.36 -0.35 1.25 -0.73 0.00 0.00 179.01 179.49 3h1m h LEU 287 N 0.26 -1.02 -1.00 1.64 5.85 -0.86 -1.96 115.31 118.21 3h1m h LEU 287 Ca 0.08 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.05 3h1m h LEU 287 Cb 0.13 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 3h1m h LEU 287 CO -0.01 -0.42 0.63 0.58 -0.34 0.00 0.00 178.44 178.88 3h1m h VAL 288 N -0.53 0.91 0.00 1.05 2.07 -0.91 0.52 116.25 119.35 3h1m h VAL 288 Ca 0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3h1m h VAL 288 Cb 0.59 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3h1m h VAL 288 CO -0.25 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.52 3h1m h ALA 289 N 1.54 1.00 -0.39 1.67 0.00 -0.30 -3.03 119.26 119.76 3h1m h ALA 289 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 3h1m h ALA 289 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3h1m h ALA 289 CO -0.27 0.00 0.04 0.09 0.00 0.00 0.00 179.25 179.11 3h1m n ASN 290 N -2.93 3.79 -4.09 0.00 3.02 0.18 -4.95 115.26 110.28 3h1m n ASN 290 Ca -0.01 -3.23 -0.27 0.00 -0.03 0.00 0.00 54.58 51.04 3h1m n ASN 290 Cb 0.17 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 38.57 3h1m n ASN 290 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h1m s VAL 291 N -2.96 1.42 -0.47 2.41 1.01 -1.11 -4.20 120.40 116.50 3h1m s VAL 291 Ca 0.46 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3h1m s VAL 291 Cb 0.38 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.54 3h1m s VAL 291 CO 0.08 0.42 0.61 -0.75 0.00 0.00 0.00 175.10 175.45 3h1m s LYS 292 N 0.49 3.17 -1.29 2.72 2.20 -0.46 -4.97 119.74 121.60 3h1m s LYS 292 Ca -0.14 -0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 54.66 3h1m s LYS 292 Cb -0.16 -4.03 0.13 0.00 -1.51 0.00 0.00 37.83 32.27 3h1m s LYS 292 CO 0.05 -1.10 1.79 1.19 -0.36 0.00 0.00 175.35 176.93 3h1m n PHE 293 N 6.14 3.86 -3.67 4.03 3.72 -1.26 -4.84 117.46 125.45 3h1m n PHE 293 Ca -0.05 -2.99 -0.16 0.00 -0.05 0.00 0.00 57.45 54.20 3h1m n PHE 293 Cb 0.47 -2.22 -0.15 0.00 -0.94 0.00 0.00 39.48 36.64 3h1m n PHE 293 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3h1m s GLU 294 N 1.73 0.07 0.61 -1.08 2.56 -1.26 -4.65 118.70 116.68 3h1m s GLU 294 Ca 0.44 0.63 -0.19 0.00 0.00 0.00 0.00 54.97 55.84 3h1m s GLU 294 Cb 0.06 -0.19 -0.03 0.00 2.00 0.00 0.00 34.13 35.97 3h1m s GLU 294 CO -0.00 -0.30 1.28 -0.35 -0.56 0.00 0.00 175.26 175.33 3h1m n PRO 295 N 5.32 1.30 -4.06 4.30 -0.04 -1.26 -4.46 135.00 136.10 3h1m n PRO 295 Ca -0.05 0.50 -0.32 0.00 -0.04 0.00 0.00 63.50 63.58 3h1m n PRO 295 Cb 0.50 -2.51 -0.16 0.00 -0.04 0.00 0.00 33.50 31.29 3h1m n PRO 295 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3h1m s LYS 296 N -3.13 2.45 0.55 0.54 2.47 0.67 -4.94 119.74 118.36 3h1m s LYS 296 Ca 0.78 -0.96 -0.21 0.00 -1.56 0.00 0.00 55.97 54.02 3h1m s LYS 296 Cb -0.40 -2.58 -0.04 0.00 -1.46 0.00 0.00 37.83 33.35 3h1m s LYS 296 CO 0.44 -0.37 1.36 -2.14 0.16 0.00 0.00 175.35 174.79 3h1m s PRO 297 N 1.28 3.09 0.28 4.03 0.02 -1.26 -4.47 135.00 137.97 3h1m s PRO 297 Ca -0.01 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.26 3h1m s PRO 297 Cb -0.16 -2.22 0.59 0.00 0.02 0.00 0.00 34.50 32.73 3h1m s PRO 297 CO -0.09 -1.23 1.80 0.00 -0.33 0.00 0.00 177.00 177.15 3h1m h ALA 298 N 1.38 1.49 0.00 -1.55 0.00 -1.99 -1.91 119.26 116.68 3h1m h ALA 298 Ca -0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h1m h ALA 298 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3h1m h ALA 298 CO 0.57 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3h1m n GLY 299 N -1.33 -0.30 0.32 0.00 0.00 -1.26 -2.02 105.19 100.59 3h1m n GLY 299 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3h1m n GLY 299 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h1m n GLU 300 N -1.24 2.64 -0.02 1.61 1.02 -0.72 -4.72 120.64 119.22 3h1m n GLU 300 Ca 0.01 -1.69 -0.17 0.00 -0.02 0.00 0.00 57.16 55.29 3h1m n GLU 300 Cb 0.01 -1.13 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 3h1m n GLU 300 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3h1m h LEU 301 N 1.04 0.20 -9.57 -4.62 3.38 -1.55 -3.45 115.31 100.74 3h1m h LEU 301 Ca 0.00 -0.97 -0.52 0.00 0.09 0.00 0.00 57.88 56.48 3h1m h LEU 301 Cb 0.58 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3h1m h LEU 301 CO 0.00 1.16 0.38 -0.76 0.09 0.00 0.00 178.44 179.31 3h1m s LEU 302 N -8.10 4.49 0.16 1.67 1.43 -1.26 -4.27 118.68 112.80 3h1m s LEU 302 Ca -0.17 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.46 3h1m s LEU 302 Cb -0.01 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 3h1m s LEU 302 CO 0.75 -0.10 1.20 0.42 0.23 0.00 0.00 176.35 178.86 3h1m s THR 303 N 0.03 3.67 -0.34 5.49 -4.23 -0.30 -4.99 115.64 114.96 3h1m s THR 303 Ca 0.48 1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 62.11 3h1m s THR 303 Cb -0.24 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.74 3h1m s THR 303 CO 0.30 0.19 0.76 0.00 -0.54 0.00 0.00 174.62 175.33 3h1m s ALA 304 N 0.21 3.47 0.77 3.99 0.00 -1.26 -4.61 121.76 124.33 3h1m s ALA 304 Ca 0.54 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 3h1m s ALA 304 Cb -0.32 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.55 3h1m s ALA 304 CO 0.35 -1.35 1.08 -1.25 0.00 0.00 0.00 175.76 174.59 3h1m s PRO 305 N 2.97 2.29 -0.15 0.00 0.04 -1.26 -4.51 135.00 134.37 3h1m s PRO 305 Ca 0.30 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.32 3h1m s PRO 305 Cb -0.14 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.51 3h1m s PRO 305 CO 0.15 -1.57 -0.17 0.08 0.04 0.00 0.00 177.00 175.53 3h1m s VAL 306 N -2.99 1.81 -0.21 -0.36 1.01 0.46 -4.98 120.40 115.14 3h1m s VAL 306 Ca 0.60 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3h1m s VAL 306 Cb -0.16 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3h1m s VAL 306 CO 0.56 0.50 0.30 -0.75 0.00 0.00 0.00 175.10 175.71 3h1m s LYS 307 N 1.27 4.14 -0.11 2.72 2.47 -1.26 -0.41 119.74 128.56 3h1m s LYS 307 Ca 0.02 0.02 -0.02 0.00 -1.56 0.00 0.00 55.97 54.43 3h1m s LYS 307 Cb -0.13 -3.53 0.04 0.00 -1.46 0.00 0.00 37.83 32.75 3h1m s LYS 307 CO -0.09 0.02 0.01 0.45 0.16 0.00 0.00 175.35 175.90 3h1m s SER 308 N 0.99 2.02 1.86 1.43 0.15 0.72 -5.00 113.70 115.87 3h1m s SER 308 Ca 0.14 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3h1m s SER 308 Cb -0.14 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 3h1m s SER 308 CO 0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3h1m n GLY 309 N 5.12 4.08 0.54 9.45 0.00 -1.26 -0.59 105.19 122.53 3h1m n GLY 309 Ca -0.08 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3h1m n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1m n ALA 310 N 12.50 2.66 -2.70 4.61 0.00 -1.26 -4.92 120.51 131.39 3h1m n ALA 310 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.57 3h1m n ALA 310 Cb 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 3h1m n ALA 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h1m s GLU 311 N -2.09 4.26 -0.41 0.00 2.12 0.25 -1.70 118.70 121.13 3h1m s GLU 311 Ca 0.33 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.92 3h1m s GLU 311 Cb 0.20 -3.47 0.11 0.00 0.26 0.00 0.00 34.13 31.23 3h1m s GLU 311 CO 0.36 0.09 0.20 -1.17 -0.54 0.00 0.00 175.26 174.21 3h1m s LEU 312 N 0.87 5.20 0.14 2.70 2.96 0.94 -0.20 118.68 131.29 3h1m s LEU 312 Ca 0.21 -1.97 -0.18 0.00 -0.22 0.00 0.00 54.13 51.97 3h1m s LEU 312 Cb -0.14 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 3h1m s LEU 312 CO 0.08 -0.53 0.61 -0.62 -1.32 0.00 0.00 176.35 174.57 3h1m s ASP 313 N 1.83 6.99 -0.54 3.68 2.15 0.45 -0.84 116.67 130.39 3h1m s ASP 313 Ca 0.07 1.25 -0.06 0.00 0.43 0.00 0.00 52.55 54.25 3h1m s ASP 313 Cb -0.23 -2.36 0.14 0.00 -0.30 0.00 0.00 42.92 40.18 3h1m s ASP 313 CO -0.04 0.15 0.38 -0.36 -0.17 0.00 0.00 175.17 175.13 3h1m s PHE 314 N -1.35 3.49 0.20 -5.34 0.08 -0.46 -0.41 117.98 114.20 3h1m s PHE 314 Ca 0.36 -2.31 -0.30 0.00 0.12 0.00 0.00 56.93 54.80 3h1m s PHE 314 Cb -0.17 -3.36 -0.09 0.00 -0.57 0.00 0.00 43.02 38.82 3h1m s PHE 314 CO 0.20 -0.94 1.42 -2.14 -0.10 0.00 0.00 175.22 173.67 3h1m s PRO 315 N 0.71 4.29 -0.10 0.24 0.02 -1.26 -4.34 135.00 134.56 3h1m s PRO 315 Ca 0.11 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3h1m s PRO 315 Cb -0.22 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.15 3h1m s PRO 315 CO -0.03 -0.42 -0.21 0.42 -0.33 0.00 0.00 177.00 176.43 3h1m s ILE 316 N 0.38 1.86 0.00 2.83 1.01 -1.26 -4.94 121.20 121.08 3h1m s ILE 316 Ca 0.61 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 3h1m s ILE 316 Cb -0.40 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 3h1m s ILE 316 CO 0.38 0.52 1.48 -0.81 0.00 0.00 0.00 174.94 176.51 3h1m n PRO 317 N 3.74 0.73 -3.84 2.79 -0.04 -1.26 -4.75 135.00 132.36 3h1m n PRO 317 Ca -0.20 -0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 62.94 3h1m n PRO 317 Cb 0.52 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 3h1m n PRO 317 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h1m s VAL 318 N 1.36 0.09 -0.32 0.52 1.01 -1.26 -5.04 120.40 116.75 3h1m s VAL 318 Ca 0.14 -0.71 0.23 0.00 0.00 0.00 0.00 61.98 61.64 3h1m s VAL 318 Cb 0.07 -0.61 0.15 0.00 0.00 0.00 0.00 36.38 35.99 3h1m s VAL 318 CO 0.00 -0.39 1.29 0.44 0.00 0.00 0.00 175.10 176.44 3h1m h ASP 319 N 3.95 0.00 -0.39 3.32 5.19 -2.04 -3.40 116.42 123.07 3h1m h ASP 319 Ca -0.31 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.13 3h1m h ASP 319 Cb 1.19 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 3h1m h ASP 319 CO 0.43 0.01 0.18 0.44 -3.12 0.00 0.00 179.24 177.17 3h1m h ASP 320 N 0.00 0.24 -5.06 6.45 5.19 -1.96 -3.44 116.42 117.85 3h1m h ASP 320 Ca -0.00 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3h1m h ASP 320 Cb 1.01 -0.02 -0.12 0.00 0.18 0.00 0.00 39.33 40.39 3h1m h ASP 320 CO 0.00 0.18 0.05 0.72 -3.12 0.00 0.00 179.24 177.07 3h1m s PHE 321 N -6.15 -0.28 0.09 4.55 -0.71 -1.26 -4.69 117.98 109.53 3h1m s PHE 321 Ca -0.13 -0.02 0.03 0.00 -1.04 0.00 0.00 56.93 55.77 3h1m s PHE 321 Cb 0.12 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 3h1m s PHE 321 CO 0.72 -0.82 -0.08 0.00 -1.34 0.00 0.00 175.22 173.69 3h1m s ALA 322 N -3.81 1.01 -0.04 1.99 0.00 0.12 -4.87 121.76 116.15 3h1m s ALA 322 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3h1m s ALA 322 Cb 0.00 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3h1m s ALA 322 CO -0.09 -0.11 -0.01 0.12 0.00 0.00 0.00 175.76 175.67 3h1m s PHE 323 N -2.76 0.50 0.01 0.00 5.36 -1.26 -1.50 117.98 118.33 3h1m s PHE 323 Ca 0.06 -0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 55.86 3h1m s PHE 323 Cb -0.01 -0.55 0.00 0.00 -0.34 0.00 0.00 43.02 42.13 3h1m s PHE 323 CO -0.02 -0.18 0.16 -1.54 -1.46 0.00 0.00 175.22 172.19 3h1m s SER 324 N 1.14 0.01 -0.10 6.13 1.04 -0.51 -1.36 113.70 120.06 3h1m s SER 324 Ca -0.08 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.15 3h1m s SER 324 Cb -0.14 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 3h1m s SER 324 CO -0.02 -0.41 -0.14 -0.76 0.98 0.00 0.00 173.24 172.89 3h1m s LEU 325 N -1.52 2.69 -0.21 2.42 2.01 -0.02 0.66 118.68 124.69 3h1m s LEU 325 Ca -0.13 -0.29 0.01 0.00 0.01 0.00 0.00 54.13 53.74 3h1m s LEU 325 Cb -0.06 -1.58 0.03 0.00 0.01 0.00 0.00 46.19 44.60 3h1m s LEU 325 CO 0.01 0.24 -0.15 -1.00 1.01 0.00 0.00 176.35 176.46 3h1m s HIS 326 N -0.09 2.98 -0.09 0.29 3.76 0.17 -0.04 115.29 122.26 3h1m s HIS 326 Ca -0.02 -1.84 -0.30 0.00 -0.15 0.00 0.00 55.06 52.75 3h1m s HIS 326 Cb -0.14 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 3h1m s HIS 326 CO 0.04 -0.82 1.49 -0.51 -0.85 0.00 0.00 174.74 174.09 3h1m s ASP 327 N 1.24 6.78 0.25 1.40 1.01 -0.69 -0.80 116.67 125.86 3h1m s ASP 327 Ca -0.00 2.03 -0.23 0.00 0.71 0.00 0.00 52.55 55.06 3h1m s ASP 327 Cb -0.16 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 3h1m s ASP 327 CO -0.09 -0.85 0.80 -0.76 0.21 0.00 0.00 175.17 174.48 3h1m s LEU 328 N 3.75 4.38 0.37 1.23 1.43 -0.54 -4.93 118.68 124.37 3h1m s LEU 328 Ca 0.66 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 3h1m s LEU 328 Cb -0.29 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3h1m s LEU 328 CO 0.24 0.03 0.10 0.00 0.23 0.00 0.00 176.35 176.94 3h1m s ALA 329 N -1.50 2.69 -0.34 4.21 0.00 -1.14 -4.27 121.76 121.41 3h1m s ALA 329 Ca 0.44 -1.53 0.20 0.00 0.00 0.00 0.00 51.96 51.07 3h1m s ALA 329 Cb -0.18 0.72 0.25 0.00 0.00 0.00 0.00 23.12 23.91 3h1m s ALA 329 CO 0.23 -0.33 1.56 -0.07 0.00 0.00 0.00 175.76 177.15 3h1m h LEU 330 N 1.93 0.00 -9.35 0.00 3.38 -1.92 0.41 115.31 109.75 3h1m h LEU 330 Ca -0.38 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.02 3h1m h LEU 330 Cb 1.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 3h1m h LEU 330 CO 0.62 0.18 -0.04 -1.58 0.09 0.00 0.00 178.44 177.70 3h1m s GLN 331 N -3.13 4.38 0.33 1.13 2.00 -1.26 -4.66 119.66 118.45 3h1m s GLN 331 Ca 0.06 0.63 -0.28 0.00 -2.00 0.00 0.00 55.36 53.77 3h1m s GLN 331 Cb 0.06 -3.43 -0.12 0.00 0.80 0.00 0.00 33.01 30.31 3h1m s GLN 331 CO 0.70 0.13 1.34 0.39 -0.50 0.00 0.00 175.29 177.35 3h1m n GLU 332 N 3.66 2.22 -4.41 1.67 1.02 -1.26 -4.81 120.64 118.72 3h1m n GLU 332 Ca -0.05 0.78 -0.23 0.00 -0.02 0.00 0.00 57.16 57.65 3h1m n GLU 332 Cb 0.51 -2.40 -0.10 0.00 -0.02 0.00 0.00 31.44 29.43 3h1m n GLU 332 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3h1m s THR 333 N -0.93 2.18 -0.16 2.62 -4.23 -0.71 -4.92 115.64 109.49 3h1m s THR 333 Ca 0.57 -2.23 -0.16 0.00 -1.18 0.00 0.00 61.69 58.68 3h1m s THR 333 Cb -0.56 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 3h1m s THR 333 CO 0.60 -0.39 0.40 -0.55 -0.54 0.00 0.00 174.62 174.14 3h1m s SER 334 N -3.21 6.54 -0.36 3.99 0.15 -1.26 -0.90 113.70 118.64 3h1m s SER 334 Ca 0.25 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.53 3h1m s SER 334 Cb -0.04 -2.24 0.09 0.00 -1.71 0.00 0.00 66.02 62.12 3h1m s SER 334 CO 0.11 -0.00 0.11 -0.63 1.20 0.00 0.00 173.24 174.03 3h1m s ILE 335 N 0.82 2.95 0.06 6.45 1.01 0.14 -4.98 121.20 127.65 3h1m s ILE 335 Ca 0.21 -1.97 0.08 0.00 0.00 0.00 0.00 60.65 58.97 3h1m s ILE 335 Cb -0.14 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 3h1m s ILE 335 CO 0.08 -0.52 -0.21 -0.83 0.00 0.00 0.00 174.94 173.45 3h1m s GLY 336 N 1.46 1.19 0.13 6.18 0.00 -1.26 -1.11 107.32 113.91 3h1m s GLY 336 Ca 0.05 -1.14 -0.10 0.00 0.00 0.00 0.00 44.72 43.53 3h1m s GLY 336 CO -0.04 -1.09 0.28 -0.86 0.00 0.00 0.00 173.10 171.38 3h1m s GLN 337 N -1.43 1.04 0.00 2.90 0.00 -1.26 -5.03 119.66 115.89 3h1m s GLN 337 Ca 0.08 -1.02 0.29 0.00 -0.00 0.00 0.00 55.36 54.71 3h1m s GLN 337 Cb -0.09 0.38 1.32 0.00 0.00 0.00 0.00 33.01 34.62 3h1m s GLN 337 CO 0.03 -0.37 1.90 0.72 0.00 0.00 0.00 175.29 177.56 3h1m n HIS 338 N -0.17 0.00 -4.56 9.60 8.25 -1.26 -4.73 115.22 122.35 3h1m n HIS 338 Ca -0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.08 3h1m n HIS 338 Cb 0.63 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.65 3h1m n HIS 338 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h1m s SER 339 N -2.03 3.04 0.75 0.41 1.04 -1.26 -4.55 113.70 111.11 3h1m s SER 339 Ca 0.40 -1.69 -0.15 0.00 0.48 0.00 0.00 55.95 54.99 3h1m s SER 339 Cb 0.21 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.88 3h1m s SER 339 CO 0.36 -0.94 0.87 0.00 0.98 0.00 0.00 173.24 174.51 3h1m n ALA 340 N -0.98 -0.66 -3.20 5.32 0.00 -1.17 -3.95 120.51 115.87 3h1m n ALA 340 Ca -0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 3h1m n ALA 340 Cb 0.65 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 3h1m n ALA 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1m s ALA 341 N -1.94 -0.74 -0.19 0.00 0.00 -0.26 -4.11 121.76 114.52 3h1m s ALA 341 Ca 0.70 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 3h1m s ALA 341 Cb -0.33 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3h1m s ALA 341 CO 0.53 -0.17 -0.03 0.42 0.00 0.00 0.00 175.76 176.51 3h1m s ILE 342 N -0.27 3.67 -0.21 0.00 1.01 -0.32 -0.96 121.20 124.13 3h1m s ILE 342 Ca -0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3h1m s ILE 342 Cb -0.03 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 3h1m s ILE 342 CO 0.01 0.44 0.09 -0.76 0.00 0.00 0.00 174.94 174.73 3h1m s LEU 343 N 1.01 3.85 -0.10 2.97 1.43 0.53 -2.07 118.68 126.31 3h1m s LEU 343 Ca 0.01 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3h1m s LEU 343 Cb -0.15 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3h1m s LEU 343 CO 0.01 0.11 -0.09 0.12 0.23 0.00 0.00 176.35 176.74 3h1m s PHE 344 N 0.74 1.47 -0.16 0.29 5.36 0.42 -0.74 117.98 125.36 3h1m s PHE 344 Ca 0.05 -0.69 -0.29 0.00 -0.96 0.00 0.00 56.93 55.04 3h1m s PHE 344 Cb -0.13 -1.19 -0.01 0.00 -0.34 0.00 0.00 43.02 41.35 3h1m s PHE 344 CO 0.02 -0.46 1.16 0.00 -1.46 0.00 0.00 175.22 174.48 3h1m h VAL 346 N 5.34 1.46 -3.13 0.00 2.07 -1.22 -0.19 116.25 120.57 3h1m h VAL 346 Ca -0.26 -2.32 0.01 0.00 0.82 0.00 0.00 66.70 64.95 3h1m h VAL 346 Cb 1.11 2.98 -0.09 0.00 -1.52 0.00 0.00 31.29 33.77 3h1m h VAL 346 CO 0.94 0.53 0.14 -1.83 0.02 0.00 0.00 177.57 177.38 3h1m s GLU 347 N -2.30 1.50 6.81 1.57 -1.05 -1.20 -4.54 118.70 119.49 3h1m s GLU 347 Ca -0.22 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 3h1m s GLU 347 Cb 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 3h1m s GLU 347 CO 0.68 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 176.64 3h1m n GLY 348 N -0.39 1.34 3.64 -3.83 0.00 -1.26 -1.51 105.19 103.19 3h1m n GLY 348 Ca -0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 3h1m n GLY 348 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1m s GLU 349 N 0.00 0.40 -0.15 1.61 2.12 -0.38 -4.23 118.70 118.07 3h1m s GLU 349 Ca 0.00 0.58 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 3h1m s GLU 349 Cb 0.00 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 3h1m s GLU 349 CO 0.00 -0.07 -0.01 0.00 -0.54 0.00 0.00 175.26 174.65 3h1m s ALA 350 N 0.82 3.14 -0.21 6.30 0.00 -0.11 -2.73 121.76 128.98 3h1m s ALA 350 Ca -0.03 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 3h1m s ALA 350 Cb -0.04 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 3h1m s ALA 350 CO -0.12 0.25 0.12 0.08 0.00 0.00 0.00 175.76 176.09 3h1m s VAL 351 N 0.22 5.22 -0.10 0.00 1.01 -0.09 -0.93 120.40 125.72 3h1m s VAL 351 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3h1m s VAL 351 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3h1m s VAL 351 CO 0.02 0.41 -0.14 -0.76 0.00 0.00 0.00 175.10 174.64 3h1m s LEU 352 N 0.60 2.71 -0.08 3.92 1.43 -0.08 -1.08 118.68 126.10 3h1m s LEU 352 Ca 0.07 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3h1m s LEU 352 Cb -0.12 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3h1m s LEU 352 CO 0.01 0.23 -0.20 -0.60 0.23 0.00 0.00 176.35 176.01 3h1m s ARG 353 N -0.02 2.47 -0.23 1.70 3.52 0.87 -0.54 118.95 126.72 3h1m s ARG 353 Ca -0.03 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.82 3h1m s ARG 353 Cb -0.14 -1.96 0.07 0.00 -1.56 0.00 0.00 34.95 31.36 3h1m s ARG 353 CO 0.04 0.18 0.02 0.21 -0.81 0.00 0.00 175.30 174.94 3h1m s LYS 354 N 0.30 0.96 2.63 5.12 2.47 0.82 -1.89 119.74 130.16 3h1m s LYS 354 Ca -0.14 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 3h1m s LYS 354 Cb -0.16 -2.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.96 3h1m s LYS 354 CO 0.06 -0.69 0.00 -0.25 0.16 0.00 0.00 175.35 174.63 3h1m n ASP 355 N 4.89 0.00 0.15 1.43 8.00 -1.26 -0.31 116.55 129.46 3h1m n ASP 355 Ca -0.08 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.44 3h1m n ASP 355 Cb 0.45 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.72 3h1m n ASP 355 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3h1m h GLU 356 N 0.00 0.00 -6.70 -1.24 9.09 -2.03 -3.45 114.58 110.25 3h1m h GLU 356 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 3h1m h GLU 356 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.12 3h1m h GLU 356 CO 0.00 0.52 0.52 -1.14 0.05 0.00 0.00 179.01 178.96 3h1m s GLN 357 N -3.28 4.54 0.04 1.06 0.74 0.58 -5.06 119.66 118.28 3h1m s GLN 357 Ca 0.01 1.83 0.02 0.00 0.05 0.00 0.00 55.36 57.28 3h1m s GLN 357 Cb 0.10 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.96 3h1m s GLN 357 CO 0.73 0.02 -0.07 -0.98 -0.55 0.00 0.00 175.29 174.43 3h1m s ARG 358 N -0.61 0.51 -0.09 1.67 1.70 -1.26 -0.12 118.95 120.76 3h1m s ARG 358 Ca 0.50 -0.70 -0.04 0.00 -0.47 0.00 0.00 55.73 55.01 3h1m s ARG 358 Cb -0.32 -0.29 0.04 0.00 -0.57 0.00 0.00 34.95 33.81 3h1m s ARG 358 CO 0.38 0.05 0.20 -1.17 -1.08 0.00 0.00 175.30 173.68 3h1m s LEU 359 N -1.45 0.56 -0.21 -1.89 2.96 0.30 -4.98 118.68 113.97 3h1m s LEU 359 Ca -0.09 0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 3h1m s LEU 359 Cb -0.09 0.55 -0.05 0.00 0.50 0.00 0.00 46.19 47.09 3h1m s LEU 359 CO 0.00 -0.16 0.18 -0.69 -1.32 0.00 0.00 176.35 174.37 3h1m s VAL 360 N 1.23 5.37 -0.23 1.68 1.01 -1.26 -0.90 120.40 127.29 3h1m s VAL 360 Ca -0.09 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 3h1m s VAL 360 Cb -0.11 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3h1m s VAL 360 CO -0.07 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.58 3h1m s LEU 361 N 0.65 2.93 0.51 3.92 1.43 -0.10 -5.00 118.68 123.02 3h1m s LEU 361 Ca 0.10 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 3h1m s LEU 361 Cb -0.12 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3h1m s LEU 361 CO 0.02 -0.08 0.83 -0.54 0.23 0.00 0.00 176.35 176.81 3h1m s LYS 362 N 1.36 3.51 0.15 1.70 1.02 -1.26 -0.93 119.74 125.29 3h1m s LYS 362 Ca 0.02 0.28 -0.32 0.00 0.02 0.00 0.00 55.97 55.97 3h1m s LYS 362 Cb -0.15 -2.32 -0.17 0.00 -0.52 0.00 0.00 37.83 34.66 3h1m s LYS 362 CO -0.06 -0.29 0.79 -2.30 -0.92 0.00 0.00 175.35 172.57 3h1m n PRO 363 N -2.36 0.25 -0.73 -1.68 -0.02 -1.26 -1.70 135.00 127.51 3h1m n PRO 363 Ca 0.02 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3h1m n PRO 363 Cb 0.55 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3h1m n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1m n GLY 364 N 1.81 0.86 3.86 -1.23 0.00 -0.08 -4.73 105.19 105.68 3h1m n GLY 364 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3h1m n GLY 364 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1m s GLU 365 N -0.27 3.21 0.06 1.61 2.02 -0.69 -4.94 118.70 119.71 3h1m s GLU 365 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.49 3h1m s GLU 365 Cb 0.00 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 3h1m s GLU 365 CO 0.00 0.60 -0.07 -1.54 0.02 0.00 0.00 175.26 174.27 3h1m s SER 366 N -2.34 0.88 0.17 -0.19 1.04 -1.26 -1.60 113.70 110.41 3h1m s SER 366 Ca 0.31 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 56.14 3h1m s SER 366 Cb -0.13 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3h1m s SER 366 CO 0.24 -0.29 -0.17 0.00 0.98 0.00 0.00 173.24 174.00 3h1m s ALA 367 N -2.06 1.98 -0.13 5.32 0.00 0.08 -0.14 121.76 126.80 3h1m s ALA 367 Ca -0.04 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 3h1m s ALA 367 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3h1m s ALA 367 CO -0.01 0.19 -0.04 0.12 0.00 0.00 0.00 175.76 176.02 3h1m s PHE 368 N -2.27 3.03 -0.27 0.00 5.36 0.10 -0.34 117.98 123.58 3h1m s PHE 368 Ca 0.17 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 3h1m s PHE 368 Cb -0.04 -1.90 0.06 0.00 -0.34 0.00 0.00 43.02 40.79 3h1m s PHE 368 CO 0.06 0.08 -0.08 0.42 -1.46 0.00 0.00 175.22 174.25 3h1m s ILE 369 N 0.03 2.42 0.57 3.12 -1.09 -0.13 -1.95 121.20 124.17 3h1m s ILE 369 Ca 0.00 -1.54 -0.20 0.00 -2.23 0.00 0.00 60.65 56.68 3h1m s ILE 369 Cb -0.13 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.30 3h1m s ILE 369 CO 0.03 -0.04 1.26 -0.83 -1.23 0.00 0.00 174.94 174.12 3h1m s GLY 370 N 1.15 2.81 0.35 6.18 0.00 -1.26 -1.11 107.32 115.44 3h1m s GLY 370 Ca -0.08 1.12 0.12 0.00 0.00 0.00 0.00 44.72 45.88 3h1m s GLY 370 CO -0.04 1.56 1.77 0.00 0.00 0.00 0.00 173.10 176.39 3h1m h ALA 371 N 1.13 1.93 -0.01 3.20 0.00 -0.93 0.35 119.26 124.93 3h1m h ALA 371 Ca -0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h1m h ALA 371 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h1m h ALA 371 CO 0.56 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 3h1m n ASP 372 N -4.72 0.19 -0.01 0.00 5.75 -0.39 -3.16 116.55 114.21 3h1m n ASP 372 Ca 0.24 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3h1m n ASP 372 Cb 0.72 -0.07 -0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3h1m n ASP 372 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h1m n GLU 373 N -0.41 4.69 -1.75 0.11 -0.58 0.11 -5.03 120.64 117.79 3h1m n GLU 373 Ca 0.00 -0.15 -0.39 0.00 -0.42 0.00 0.00 57.16 56.21 3h1m n GLU 373 Cb 0.04 -0.67 0.04 0.00 -0.57 0.00 0.00 31.44 30.28 3h1m n GLU 373 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3h1m n SER 374 N -0.73 2.92 -4.63 1.62 2.88 -1.19 -4.47 113.62 110.01 3h1m n SER 374 Ca 0.00 1.02 -0.27 0.00 -1.33 0.00 0.00 58.87 58.29 3h1m n SER 374 Cb 0.02 -1.59 0.11 0.00 -0.75 0.00 0.00 64.21 62.00 3h1m n SER 374 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3h1m s PRO 375 N -2.78 1.59 0.13 -1.46 0.04 -1.26 -4.97 135.00 126.29 3h1m s PRO 375 Ca 0.69 -0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.38 3h1m s PRO 375 Cb -0.42 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3h1m s PRO 375 CO 0.51 -1.68 -0.21 0.14 0.04 0.00 0.00 177.00 175.81 3h1m s VAL 376 N -3.46 1.82 -0.11 -0.36 -7.23 -0.27 -4.95 120.40 105.85 3h1m s VAL 376 Ca 0.66 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 3h1m s VAL 376 Cb -0.08 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 3h1m s VAL 376 CO 0.48 -0.13 0.32 0.20 -0.31 0.00 0.00 175.10 175.65 3h1m s ASN 377 N -2.20 6.56 -0.04 4.85 -0.87 -0.79 0.26 114.94 122.71 3h1m s ASN 377 Ca 0.11 0.66 0.05 0.00 -1.57 0.00 0.00 52.86 52.10 3h1m s ASN 377 Cb -0.09 -2.19 -0.01 0.00 -0.02 0.00 0.00 41.25 38.94 3h1m s ASN 377 CO 0.05 0.20 -0.20 0.00 -2.57 0.00 0.00 177.10 174.58 3h1m s ALA 378 N -0.16 1.70 0.32 0.60 0.00 -0.08 -0.09 121.76 124.05 3h1m s ALA 378 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3h1m s ALA 378 Cb -0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3h1m s ALA 378 CO 0.07 0.34 0.35 -1.54 0.00 0.00 0.00 175.76 174.98 3h1m s SER 379 N -0.15 1.15 0.00 0.00 1.04 -0.24 -1.74 113.70 113.76 3h1m s SER 379 Ca -0.00 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.84 3h1m s SER 379 Cb -0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3h1m s SER 379 CO 0.02 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3h1m n GLY 380 N -0.55 0.52 3.32 7.32 0.00 0.14 -0.91 105.19 115.03 3h1m n GLY 380 Ca 0.04 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 3h1m n GLY 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1m s THR 381 N -1.61 1.44 0.00 2.61 -4.23 -1.10 -2.89 115.64 109.86 3h1m s THR 381 Ca 0.00 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3h1m s THR 381 Cb 0.00 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3h1m s THR 381 CO 0.00 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 3h1m n GLY 382 N -0.36 0.47 2.92 3.99 0.00 -1.26 -1.25 105.19 109.71 3h1m n GLY 382 Ca -0.08 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3h1m n GLY 382 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1m s ARG 383 N 0.00 0.08 -0.21 1.61 0.52 -0.57 -1.47 118.95 118.91 3h1m s ARG 383 Ca 0.00 0.19 -0.06 0.00 -0.52 0.00 0.00 55.73 55.33 3h1m s ARG 383 Cb 0.00 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 3h1m s ARG 383 CO 0.00 -0.07 0.04 -1.17 0.02 0.00 0.00 175.30 174.12 3h1m s LEU 384 N 0.45 3.49 -0.10 2.53 2.96 0.02 -0.63 118.68 127.41 3h1m s LEU 384 Ca -0.03 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 3h1m s LEU 384 Cb -0.05 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3h1m s LEU 384 CO -0.02 0.08 0.29 0.00 -1.32 0.00 0.00 176.35 175.38 3h1m s ALA 385 N 0.94 3.69 -0.10 5.97 0.00 0.18 0.46 121.76 132.90 3h1m s ALA 385 Ca 0.03 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3h1m s ALA 385 Cb -0.14 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.70 3h1m s ALA 385 CO 0.02 0.34 -0.20 0.50 0.00 0.00 0.00 175.76 176.42 3h1m s ARG 386 N -0.36 2.63 -0.12 0.00 3.52 0.21 -0.44 118.95 124.39 3h1m s ARG 386 Ca 0.18 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 55.03 3h1m s ARG 386 Cb -0.14 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.14 3h1m s ARG 386 CO 0.07 0.07 -0.01 0.08 -0.81 0.00 0.00 175.30 174.70 3h1m s VAL 387 N 0.62 4.18 0.00 7.11 1.01 -0.88 -1.42 120.40 131.02 3h1m s VAL 387 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3h1m s VAL 387 Cb -0.17 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3h1m s VAL 387 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.69 3h1m n TYR 388 N 2.76 0.00 -3.75 5.22 4.11 -0.56 -1.17 117.16 123.77 3h1m n TYR 388 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.55 3h1m n TYR 388 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.70 3h1m n TYR 388 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 3h1m s ASN 389 N 2.00 0.48 0.28 9.48 3.84 -1.26 0.11 114.94 129.86 3h1m s ASN 389 Ca 0.00 0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.26 3h1m s ASN 389 Cb 0.00 -0.11 0.11 0.00 -0.55 0.00 0.00 41.25 40.70 3h1m s ASN 389 CO 0.00 -0.17 1.46 0.11 -2.79 0.00 0.00 177.10 175.72 3h1m h LYS 390 N 7.68 0.00 0.00 0.43 1.57 -1.91 -3.38 116.57 120.96 3h1m h LYS 390 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3h1m h LYS 390 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3h1m h LYS 390 CO 0.37 0.52 0.00 1.28 -0.57 0.00 0.00 179.45 181.05