#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3min n ARG 6 N 0.00 0.00 0.00 1.43 5.12 -1.26 -2.25 116.66 119.70 3min n ARG 6 Ca 0.00 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.99 3min n ARG 6 Cb 0.00 0.00 0.38 0.00 -1.16 0.00 0.00 32.46 31.68 3min n ARG 6 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3min n GLU 7 N 14.00 0.29 -0.07 5.56 0.00 -1.26 -1.89 120.64 137.27 3min n GLU 7 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 57.16 57.18 3min n GLU 7 Cb 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.03 3min n GLU 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3min h GLU 8 N 0.00 0.74 -0.20 3.44 -0.00 -1.89 -0.95 114.58 115.72 3min h GLU 8 Ca 0.00 -0.31 -0.16 0.00 -0.00 0.00 0.00 59.36 58.89 3min h GLU 8 Cb 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 3min h GLU 8 CO 0.00 0.92 -0.50 0.28 -0.00 0.00 0.00 179.01 179.71 3min h VAL 9 N 0.64 1.31 -0.56 -1.06 2.07 -1.58 -0.63 116.25 116.44 3min h VAL 9 Ca 0.08 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3min h VAL 9 Cb 0.77 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 3min h VAL 9 CO 0.06 0.54 0.33 -0.33 0.02 0.00 0.00 177.57 178.19 3min h GLU 10 N 0.39 0.77 -0.34 1.57 5.08 -1.50 -1.08 114.58 119.48 3min h GLU 10 Ca -0.01 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 3min h GLU 10 Cb 1.12 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3min h GLU 10 CO 0.11 0.57 -0.35 0.66 -1.00 0.00 0.00 179.01 179.00 3min h SER 11 N 0.76 0.90 -0.51 1.42 4.64 -1.10 -2.70 113.55 116.96 3min h SER 11 Ca 0.20 -0.47 0.10 0.00 -0.47 0.00 0.00 61.79 61.15 3min h SER 11 Cb 0.00 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 61.75 3min h SER 11 CO -0.04 1.19 -0.07 0.25 -0.87 0.00 0.00 176.83 177.29 3min h LEU 12 N 0.63 -0.36 -0.02 5.97 5.85 -0.89 0.16 115.31 126.65 3min h LEU 12 Ca 0.05 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3min h LEU 12 Cb 0.94 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3min h LEU 12 CO 0.09 -0.13 -0.01 0.40 -0.34 0.00 0.00 178.44 178.45 3min h ILE 13 N 0.05 0.96 0.00 4.05 2.04 -1.03 -1.31 117.51 122.27 3min h ILE 13 Ca 0.25 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.06 3min h ILE 13 Cb 0.39 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3min h ILE 13 CO -0.48 0.00 -0.27 0.06 0.00 0.00 0.00 178.15 177.46 3min h GLN 14 N -0.01 0.00 0.02 2.37 -0.00 -1.07 -1.61 115.11 114.82 3min h GLN 14 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 3min h GLN 14 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.51 3min h GLN 14 CO -0.03 0.27 -0.01 0.93 -0.00 0.00 0.00 178.83 179.99 3min h GLU 15 N 0.00 -0.03 -0.37 0.06 5.08 0.24 -2.51 114.58 117.06 3min h GLU 15 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3min h GLU 15 Cb 0.59 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3min h GLU 15 CO 0.03 -0.01 0.15 0.28 -1.00 0.00 0.00 179.01 178.47 3min h VAL 16 N -0.05 1.18 0.00 3.13 2.07 -1.01 -2.71 116.25 118.87 3min h VAL 16 Ca -0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3min h VAL 16 Cb 0.04 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3min h VAL 16 CO 0.01 0.20 0.00 -0.07 0.02 0.00 0.00 177.57 177.73 3min h LEU 17 N 0.45 0.00 -2.25 2.57 3.38 -1.11 -3.00 115.31 115.34 3min h LEU 17 Ca 0.12 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3min h LEU 17 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3min h LEU 17 CO -0.01 0.00 0.22 -0.33 0.09 0.00 0.00 178.44 178.41 3min h GLU 18 N 0.00 0.00 0.00 1.13 5.08 -1.11 -1.69 114.58 117.99 3min h GLU 18 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3min h GLU 18 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3min h GLU 18 CO 0.00 0.00 0.00 -0.24 -1.00 0.00 0.00 179.01 177.77 3min h VAL 19 N 0.00 0.00 -3.90 3.13 3.04 -1.73 -3.46 116.25 113.33 3min h VAL 19 Ca 0.08 -0.76 -0.47 0.00 -1.01 0.00 0.00 66.70 64.54 3min h VAL 19 Cb 0.51 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 3min h VAL 19 CO -0.00 0.00 0.36 -0.31 -1.01 0.00 0.00 177.57 176.61 3min s TYR 20 N -3.37 3.63 0.32 3.17 2.02 -0.64 -5.03 117.35 117.45 3min s TYR 20 Ca 0.05 1.76 -0.27 0.00 -0.37 0.00 0.00 57.07 58.24 3min s TYR 20 Cb 0.07 -2.96 -0.13 0.00 -0.40 0.00 0.00 41.96 38.54 3min s TYR 20 CO 0.61 0.08 1.01 -2.30 -1.57 0.00 0.00 175.55 173.38 3min n PRO 21 N 0.48 1.36 -0.31 -1.71 -0.02 -1.26 -4.62 135.00 128.93 3min n PRO 21 Ca 0.02 0.48 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3min n PRO 21 Cb 0.50 -1.88 0.34 0.00 -0.02 0.00 0.00 33.50 32.44 3min n PRO 21 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3min h GLU 22 N 1.91 0.23 0.06 -0.52 4.57 -1.96 -0.47 114.58 118.40 3min h GLU 22 Ca -0.41 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3min h GLU 22 Cb 1.34 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3min h GLU 22 CO 0.60 0.15 -0.03 -0.22 -1.18 0.00 0.00 179.01 178.33 3min h LYS 23 N 0.24 -0.08 -0.55 1.92 3.64 -2.00 -0.21 116.57 119.53 3min h LYS 23 Ca 0.61 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.97 3min h LYS 23 Cb 1.28 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 3min h LYS 23 CO -0.65 -0.05 0.27 0.00 -2.27 0.00 0.00 179.45 176.76 3min h ALA 24 N 0.86 0.71 -0.02 5.00 0.00 -1.59 -1.87 119.26 122.34 3min h ALA 24 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3min h ALA 24 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3min h ALA 24 CO 0.01 0.27 -0.11 -0.09 0.00 0.00 0.00 179.25 179.33 3min h ARG 25 N 0.75 -0.18 -0.72 0.00 2.43 -0.83 0.07 114.38 115.90 3min h ARG 25 Ca 0.19 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3min h ARG 25 Cb 0.11 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3min h ARG 25 CO -0.03 -0.12 0.46 0.87 -1.51 0.00 0.00 179.97 179.64 3min h LYS 26 N -0.19 0.88 0.15 0.20 1.57 -0.74 -1.33 116.57 117.10 3min h LYS 26 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3min h LYS 26 Cb 0.25 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3min h LYS 26 CO -0.13 0.58 -0.07 0.22 -0.57 0.00 0.00 179.45 179.48 3min h ASP 27 N 0.90 -0.17 -0.18 0.86 3.58 -1.13 -3.25 116.42 117.04 3min h ASP 27 Ca 0.29 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3min h ASP 27 Cb -0.00 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3min h ASP 27 CO -0.10 0.22 0.09 0.03 -2.88 0.00 0.00 179.24 176.60 3min h ARG 28 N -0.58 0.30 -0.93 0.28 2.47 -0.85 -1.55 114.38 113.52 3min h ARG 28 Ca -0.02 -0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.81 3min h ARG 28 Cb 0.45 -0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.63 3min h ARG 28 CO 0.03 0.26 0.59 -0.97 0.56 0.00 0.00 179.97 180.44 3min h ASN 29 N 0.30 0.74 0.65 7.04 -0.00 -1.27 0.41 115.58 123.46 3min h ASN 29 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 3min h ASN 29 Cb 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 3min h ASN 29 CO -0.01 0.38 0.00 0.29 -0.00 0.00 0.00 177.43 178.09 3min n LYS 30 N -4.58 0.08 -0.11 6.67 5.02 -0.58 -3.19 118.16 121.45 3min n LYS 30 Ca 0.18 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.66 3min n LYS 30 Cb 0.44 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.07 3min n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3min n HIS 31 N -1.45 0.29 -4.42 2.13 8.25 0.13 -1.76 115.22 118.39 3min n HIS 31 Ca 0.06 -0.26 -0.29 0.00 -0.26 0.00 0.00 57.72 56.97 3min n HIS 31 Cb 0.23 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.16 3min n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3min s LEU 32 N -1.05 1.72 0.14 2.41 1.43 -1.17 -0.79 118.68 121.37 3min s LEU 32 Ca 0.22 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3min s LEU 32 Cb 0.13 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 3min s LEU 32 CO 0.18 0.01 0.10 0.00 0.23 0.00 0.00 176.35 176.87 3min s ALA 33 N 1.03 0.76 -0.08 4.21 0.00 0.03 -4.96 121.76 122.75 3min s ALA 33 Ca -0.06 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.52 3min s ALA 33 Cb -0.15 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 3min s ALA 33 CO -0.02 -0.52 -0.12 0.08 0.00 0.00 0.00 175.76 175.18 3min s VAL 34 N -4.05 3.26 -0.61 0.00 1.01 -1.26 -0.98 120.40 117.76 3min s VAL 34 Ca 0.25 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 3min s VAL 34 Cb 0.07 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3min s VAL 34 CO 0.03 0.57 1.23 0.21 0.00 0.00 0.00 175.10 177.14 3min s ASN 35 N -0.41 6.36 0.00 3.32 3.04 -0.56 -4.91 114.94 121.77 3min s ASN 35 Ca 0.05 0.01 0.00 0.00 0.04 0.00 0.00 52.86 52.96 3min s ASN 35 Cb -0.12 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.03 3min s ASN 35 CO 0.02 -1.57 0.00 0.00 -3.04 0.00 0.00 177.10 172.51 3min s ILE 46 N -2.00 0.04 -0.09 0.00 2.07 -1.26 -4.70 121.20 115.26 3min s ILE 46 Ca 0.00 -0.33 -0.00 0.00 -1.41 0.00 0.00 60.65 58.91 3min s ILE 46 Cb 0.00 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 3min s ILE 46 CO 0.00 -0.18 -0.07 -0.51 -1.91 0.00 0.00 174.94 172.27 3min s ILE 47 N -0.66 3.67 0.37 2.00 1.10 -0.72 -5.00 121.20 121.97 3min s ILE 47 Ca -0.08 -0.48 0.04 0.00 -0.51 0.00 0.00 60.65 59.63 3min s ILE 47 Cb -0.04 -2.52 -0.03 0.00 0.15 0.00 0.00 42.46 40.02 3min s ILE 47 CO 0.01 0.57 0.15 -0.94 -2.11 0.00 0.00 174.94 172.63 3min s SER 48 N -0.51 2.39 -1.45 4.50 1.04 -1.26 -4.52 113.70 113.89 3min s SER 48 Ca 0.08 -1.65 -0.08 0.00 0.48 0.00 0.00 55.95 54.78 3min s SER 48 Cb -0.12 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.51 3min s SER 48 CO 0.02 -0.92 0.81 -3.20 0.98 0.00 0.00 173.24 170.93 3min n ASN 49 N -1.23 -2.92 -4.80 7.02 4.05 -1.23 -4.85 115.26 111.30 3min n ASN 49 Ca -0.03 -0.83 -0.22 0.00 0.45 0.00 0.00 54.58 53.95 3min n ASN 49 Cb 0.65 -3.81 -0.05 0.00 1.23 0.00 0.00 39.78 37.80 3min n ASN 49 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3min s LYS 50 N -6.39 2.43 0.86 1.20 -0.14 -1.26 -5.01 119.74 111.43 3min s LYS 50 Ca 0.36 -1.59 -0.11 0.00 -1.36 0.00 0.00 55.97 53.27 3min s LYS 50 Cb -0.18 -2.23 0.11 0.00 -1.68 0.00 0.00 37.83 33.85 3min s LYS 50 CO 0.83 -0.05 1.10 -1.59 -0.76 0.00 0.00 175.35 174.89 3min s LYS 51 N -3.97 1.54 0.20 1.68 -2.85 -1.26 -4.93 119.74 110.15 3min s LYS 51 Ca 0.42 1.12 -0.14 0.00 -1.00 0.00 0.00 55.97 56.37 3min s LYS 51 Cb -0.01 -1.82 -0.07 0.00 -2.06 0.00 0.00 37.83 33.86 3min s LYS 51 CO 0.25 -2.13 0.60 -1.12 0.10 0.00 0.00 175.35 173.05 3min s SER 52 N -3.22 6.82 0.12 0.03 0.01 -1.26 -5.06 113.70 111.15 3min s SER 52 Ca 0.63 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.72 3min s SER 52 Cb -0.19 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 3min s SER 52 CO 0.57 0.01 1.07 -1.10 0.41 0.00 0.00 173.24 174.20 3min s GLN 53 N -2.27 4.59 0.50 12.44 -1.52 -1.26 -4.99 119.66 127.15 3min s GLN 53 Ca 0.43 1.62 -0.23 0.00 -1.95 0.00 0.00 55.36 55.23 3min s GLN 53 Cb -0.14 -3.33 -0.07 0.00 -0.22 0.00 0.00 33.01 29.25 3min s GLN 53 CO 0.20 0.05 1.33 -2.30 -0.25 0.00 0.00 175.29 174.32 3min n PRO 54 N 2.90 1.84 -1.07 2.91 -0.02 -1.26 -3.48 135.00 136.82 3min n PRO 54 Ca 0.04 0.67 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 3min n PRO 54 Cb 0.48 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3min n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3min n GLY 55 N 0.76 0.52 1.15 -1.23 0.00 -1.26 -4.90 105.19 100.22 3min n GLY 55 Ca 0.08 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3min n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3min n LEU 56 N -0.29 3.93 -3.38 0.99 4.77 -1.23 -4.99 117.00 116.82 3min n LEU 56 Ca -0.03 -2.32 -0.17 0.00 -0.03 0.00 0.00 56.01 53.47 3min n LEU 56 Cb 0.22 -0.45 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3min n LEU 56 CO 0.04 0.80 0.06 0.80 -1.33 0.00 0.00 177.39 177.76 3min n MET 57 N 0.78 -1.64 -1.46 3.23 1.56 -1.26 -3.71 117.12 114.62 3min n MET 57 Ca 0.21 0.89 -0.33 0.00 -0.27 0.00 0.00 57.70 58.20 3min n MET 57 Cb 0.70 -5.02 0.08 0.00 2.15 0.00 0.00 33.22 31.13 3min n MET 57 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3min s THR 58 N -3.28 2.91 -1.27 1.12 -1.32 -1.26 -2.34 115.64 110.20 3min s THR 58 Ca 0.31 0.39 0.23 0.00 -1.21 0.00 0.00 61.69 61.41 3min s THR 58 Cb -0.07 -2.86 -0.05 0.00 -1.51 0.00 0.00 72.50 68.01 3min s THR 58 CO 0.79 -0.30 1.19 -0.38 -2.21 0.00 0.00 174.62 173.72 3min n ILE 59 N -2.92 0.00 -1.10 5.08 5.41 -1.26 -4.96 119.36 119.62 3min n ILE 59 Ca 0.11 -0.06 -0.33 0.00 1.00 0.00 0.00 62.75 63.47 3min n ILE 59 Cb 0.52 0.71 0.13 0.00 -0.71 0.00 0.00 39.64 40.29 3min n ILE 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3min s ARG 60 N -2.85 1.63 0.00 0.38 0.52 -1.26 -5.07 118.95 112.30 3min s ARG 60 Ca 0.13 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 3min s ARG 60 Cb 0.17 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.86 3min s ARG 60 CO 0.72 -2.21 0.00 0.41 0.02 0.00 0.00 175.30 174.24 3min n GLY 61 N 0.36 4.98 3.74 -3.53 0.00 -1.26 -5.03 105.19 104.44 3min n GLY 61 Ca 0.13 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 3min n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3min h ALA 63 N 1.40 2.31 -0.59 0.00 0.00 -1.74 -0.46 119.26 120.18 3min h ALA 63 Ca -0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3min h ALA 63 Cb 1.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3min h ALA 63 CO 0.73 -0.42 0.15 -0.92 0.00 0.00 0.00 179.25 178.79 3min h TYR 64 N 0.05 0.98 -0.39 0.00 3.20 -1.59 -0.37 116.97 118.84 3min h TYR 64 Ca 0.19 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3min h TYR 64 Cb 0.68 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3min h TYR 64 CO -0.00 0.83 0.25 0.00 -1.64 0.00 0.00 178.16 177.59 3min h ALA 65 N 1.04 0.50 -0.15 1.82 0.00 -1.41 0.30 119.26 121.35 3min h ALA 65 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3min h ALA 65 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3min h ALA 65 CO 0.00 -0.07 -0.31 0.78 0.00 0.00 0.00 179.25 179.65 3min h GLY 66 N 0.50 0.32 0.00 0.00 0.00 -1.22 0.45 103.07 103.12 3min h GLY 66 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3min h GLY 66 CO -0.05 0.24 -0.39 0.23 0.00 0.00 0.00 176.54 176.57 3min h SER 67 N 0.26 0.00 0.08 0.19 0.87 -0.56 -3.01 113.55 111.38 3min h SER 67 Ca 0.04 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3min h SER 67 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3min h SER 67 CO 0.05 0.72 -0.04 0.50 -0.53 0.00 0.00 176.83 177.53 3min h LYS 68 N -1.00 -0.10 -0.34 2.24 3.11 -0.54 0.19 116.57 120.13 3min h LYS 68 Ca -0.02 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3min h LYS 68 Cb 0.41 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 3min h LYS 68 CO -0.01 0.44 0.22 0.78 -2.81 0.00 0.00 179.45 178.08 3min h GLY 69 N -0.87 0.49 0.00 5.01 0.00 -0.78 0.16 103.07 107.08 3min h GLY 69 Ca -0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 47.33 46.79 3min h GLY 69 CO 0.02 0.18 -2.25 3.33 0.00 0.00 0.00 176.54 177.82 3min n VAL 70 N -4.84 1.25 -0.08 4.60 0.24 -0.31 -4.59 118.33 114.60 3min n VAL 70 Ca -0.01 -0.43 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 3min n VAL 70 Cb 0.03 -1.42 -0.05 0.00 -1.47 0.00 0.00 33.84 30.94 3min n VAL 70 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3min h VAL 71 N -0.23 0.34 0.13 3.34 2.07 -1.30 -3.41 116.25 117.19 3min h VAL 71 Ca -0.51 -1.40 -0.21 0.00 0.82 0.00 0.00 66.70 65.39 3min h VAL 71 Cb 1.68 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3min h VAL 71 CO -0.15 0.12 -0.91 -0.50 0.02 0.00 0.00 177.57 176.14 3min h TRP 72 N -1.00 0.66 -0.96 1.57 4.06 -1.11 -3.36 115.95 115.81 3min h TRP 72 Ca -0.11 -0.46 0.29 0.00 2.06 0.00 0.00 58.89 60.68 3min h TRP 72 Cb 0.72 -0.04 -0.17 0.00 -1.00 0.00 0.00 29.16 28.68 3min h TRP 72 CO -0.09 1.34 0.24 0.78 -3.56 0.00 0.00 178.44 177.15 3min h GLY 73 N -0.20 1.56 2.00 1.49 0.00 -1.12 -0.69 103.07 106.11 3min h GLY 73 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3min h GLY 73 CO 0.17 -0.53 -0.02 -2.55 0.00 0.00 0.00 176.54 173.61 3min h PRO 74 N 0.09 0.00 -6.36 4.80 0.11 -1.80 -3.42 132.00 125.42 3min h PRO 74 Ca 0.65 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 66.18 3min h PRO 74 Cb 1.44 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.51 3min h PRO 74 CO -0.78 0.02 1.17 0.42 -0.21 0.00 0.00 178.00 178.62 3min s ILE 75 N -4.11 3.68 0.12 4.15 1.01 -0.27 -4.16 121.20 121.63 3min s ILE 75 Ca -0.03 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.03 3min s ILE 75 Cb 0.12 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 3min s ILE 75 CO 0.48 -0.50 1.58 0.50 0.00 0.00 0.00 174.94 177.00 3min h LYS 76 N 11.59 -0.56 -0.64 2.79 3.64 -1.16 -3.29 116.57 128.93 3min h LYS 76 Ca -0.31 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3min h LYS 76 Cb 1.14 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3min h LYS 76 CO 1.04 -0.37 0.00 -0.40 -2.27 0.00 0.00 179.45 177.45 3min n ASP 77 N -5.45 3.82 -4.70 4.20 5.68 -1.26 -1.59 116.55 117.25 3min n ASP 77 Ca -0.06 -2.22 -0.23 0.00 -0.50 0.00 0.00 54.79 51.79 3min n ASP 77 Cb 0.37 -0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 3min n ASP 77 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3min s MET 78 N -1.53 2.45 -0.10 0.11 -1.94 -1.24 -0.87 119.30 116.17 3min s MET 78 Ca 0.43 -1.36 -0.03 0.00 -1.71 0.00 0.00 55.69 53.02 3min s MET 78 Cb 0.26 -2.25 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 3min s MET 78 CO 0.24 0.33 0.02 0.42 -0.01 0.00 0.00 175.02 176.02 3min s ILE 79 N -2.30 4.47 -0.12 2.53 1.01 -0.49 -4.58 121.20 121.72 3min s ILE 79 Ca 0.33 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3min s ILE 79 Cb -0.06 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3min s ILE 79 CO 0.22 0.59 -0.22 -1.00 0.00 0.00 0.00 174.94 174.52 3min s HIS 80 N -0.71 2.63 -0.31 3.97 3.76 -1.26 -0.82 115.29 122.56 3min s HIS 80 Ca 0.11 -1.11 -0.10 0.00 -0.15 0.00 0.00 55.06 53.81 3min s HIS 80 Cb -0.12 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 3min s HIS 80 CO 0.02 -0.47 0.17 0.42 -0.85 0.00 0.00 174.74 174.03 3min s ILE 81 N 0.52 4.79 -0.71 0.60 -1.09 0.69 -4.28 121.20 121.72 3min s ILE 81 Ca -0.14 -0.28 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 3min s ILE 81 Cb -0.17 -3.41 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3min s ILE 81 CO 0.05 0.10 1.26 -0.44 -1.23 0.00 0.00 174.94 174.68 3min s SER 82 N 1.65 6.21 -0.41 3.58 0.01 -0.25 -0.64 113.70 123.86 3min s SER 82 Ca 0.05 -0.35 -0.19 0.00 1.31 0.00 0.00 55.95 56.77 3min s SER 82 Cb -0.17 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.52 3min s SER 82 CO 0.07 -1.77 0.56 -2.28 0.41 0.00 0.00 173.24 170.23 3min s HIS 83 N 5.59 3.12 -5.00 2.43 2.46 -0.42 -2.49 115.29 120.99 3min s HIS 83 Ca 0.36 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.86 3min s HIS 83 Cb -0.08 -3.12 0.00 0.00 -0.13 0.00 0.00 32.58 29.25 3min s HIS 83 CO 0.17 -0.73 0.00 0.41 -2.47 0.00 0.00 174.74 172.12 3min n GLY 84 N 4.96 0.79 3.46 1.59 0.00 -1.26 -1.33 105.19 113.41 3min n GLY 84 Ca -0.04 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 3min n GLY 84 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3min s PRO 85 N -2.00 -1.27 0.39 1.61 0.02 -1.26 -1.02 135.00 131.47 3min s PRO 85 Ca 0.00 0.70 0.21 0.00 0.02 0.00 0.00 61.00 61.93 3min s PRO 85 Cb 0.00 -1.52 0.63 0.00 0.02 0.00 0.00 34.50 33.63 3min s PRO 85 CO 0.00 -3.92 1.70 -0.24 -0.33 0.00 0.00 177.00 174.21 3min h VAL 86 N -2.76 0.66 0.65 3.83 3.04 -1.88 -3.38 116.25 116.41 3min h VAL 86 Ca -0.60 -1.46 -0.02 0.00 -1.01 0.00 0.00 66.70 63.60 3min h VAL 86 Cb 1.34 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 32.58 3min h VAL 86 CO 0.49 0.30 -0.47 1.23 -1.01 0.00 0.00 177.57 178.11 3min h GLY 87 N 2.53 -1.23 -0.12 3.17 0.00 -1.99 -2.96 103.07 102.48 3min h GLY 87 Ca -0.00 0.53 0.13 0.00 0.00 0.00 0.00 47.33 47.99 3min h GLY 87 CO 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 176.54 176.15 3min h GLY 89 N 0.10 0.00 0.31 0.00 0.00 -1.81 -2.84 103.07 98.82 3min h GLY 89 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 3min h GLY 89 CO -0.56 0.00 -0.06 -1.61 0.00 0.00 0.00 176.54 174.31 3min h GLN 90 N 0.00 0.05 0.00 4.80 5.75 -0.92 -2.79 115.11 121.99 3min h GLN 90 Ca 0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3min h GLN 90 Cb 0.98 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 3min h GLN 90 CO 0.00 0.79 -0.21 1.88 -2.65 0.00 0.00 178.83 178.65 3min h TYR 91 N -0.68 0.00 -0.01 3.99 0.05 -1.38 -1.92 116.97 117.03 3min h TYR 91 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3min h TYR 91 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 3min h TYR 91 CO 0.19 0.21 -0.16 -1.13 -1.05 0.00 0.00 178.16 176.21 3min n SER 92 N -3.47 1.02 -4.64 3.88 3.41 -1.07 -4.76 113.62 107.98 3min n SER 92 Ca -0.00 -0.98 -0.43 0.00 -0.26 0.00 0.00 58.87 57.20 3min n SER 92 Cb 0.38 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3min n SER 92 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3min s ARG 93 N -2.37 3.88 -1.17 4.33 3.52 -0.72 -2.81 118.95 123.60 3min s ARG 93 Ca 0.29 1.99 -0.02 0.00 -0.13 0.00 0.00 55.73 57.86 3min s ARG 93 Cb 0.20 -4.08 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 3min s ARG 93 CO 0.46 -1.21 0.14 0.00 -0.81 0.00 0.00 175.30 173.89 3min n ALA 94 N 8.32 -0.84 0.04 6.12 0.00 -1.26 -4.88 120.51 128.01 3min n ALA 94 Ca 0.20 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 3min n ALA 94 Cb 0.44 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.78 3min n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3min h GLY 95 N -0.30 0.14 -5.77 0.00 0.00 -1.82 -3.45 103.07 91.88 3min h GLY 95 Ca -0.35 -0.36 -0.65 0.00 0.00 0.00 0.00 47.33 45.98 3min h GLY 95 CO 0.41 0.31 -0.52 -1.60 0.00 0.00 0.00 176.54 175.14 3min s ARG 96 N -2.64 3.58 -1.24 4.80 3.52 -1.26 -5.01 118.95 120.70 3min s ARG 96 Ca -0.05 -0.23 -0.06 0.00 -0.13 0.00 0.00 55.73 55.26 3min s ARG 96 Cb 0.08 -3.17 0.19 0.00 -1.56 0.00 0.00 34.95 30.49 3min s ARG 96 CO 0.84 0.60 2.03 0.54 -0.81 0.00 0.00 175.30 178.49 3min n ARG 97 N 2.54 4.36 -2.94 5.12 1.74 -1.26 -4.88 116.66 121.34 3min n ARG 97 Ca -0.18 -3.78 -0.44 0.00 -0.77 0.00 0.00 57.85 52.68 3min n ARG 97 Cb 0.54 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.26 3min n ARG 97 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3min s ASN 98 N 0.02 6.59 0.48 0.55 4.22 -1.26 -1.66 114.94 123.87 3min s ASN 98 Ca 0.44 -1.97 -0.22 0.00 -2.14 0.00 0.00 52.86 48.97 3min s ASN 98 Cb 0.14 -2.39 -0.07 0.00 1.28 0.00 0.00 41.25 40.21 3min s ASN 98 CO -0.04 -1.07 1.20 -0.31 -2.04 0.00 0.00 177.10 174.84 3min s TYR 99 N 2.68 2.76 0.06 1.54 1.51 -0.95 -4.70 117.35 120.25 3min s TYR 99 Ca 0.31 1.51 -0.15 0.00 -1.01 0.00 0.00 57.07 57.72 3min s TYR 99 Cb -0.07 -3.45 0.03 0.00 -0.11 0.00 0.00 41.96 38.36 3min s TYR 99 CO -0.07 -1.75 0.34 1.52 -1.11 0.00 0.00 175.55 174.48 3min s TYR 100 N -1.51 -0.15 -0.24 2.71 1.13 -1.26 -2.75 117.35 115.27 3min s TYR 100 Ca 0.65 -0.03 -0.10 0.00 -1.41 0.00 0.00 57.07 56.19 3min s TYR 100 Cb -0.30 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.66 3min s TYR 100 CO 0.37 -0.57 0.15 0.42 -2.51 0.00 0.00 175.55 173.41 3min s ILE 101 N -2.91 5.19 0.00 -3.49 -1.09 -1.26 -5.05 121.20 112.59 3min s ILE 101 Ca -0.03 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3min s ILE 101 Cb 0.00 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 3min s ILE 101 CO -0.06 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 3min n GLY 102 N 4.44 -0.16 3.19 6.18 0.00 -1.26 -5.01 105.19 112.58 3min n GLY 102 Ca -0.15 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 3min n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3min s THR 103 N -2.00 3.98 0.05 2.61 2.01 -1.26 -4.95 115.64 116.09 3min s THR 103 Ca 0.00 -1.81 -0.31 0.00 0.31 0.00 0.00 61.69 59.88 3min s THR 103 Cb 0.00 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 3min s THR 103 CO 0.00 -0.72 1.30 -0.89 -0.69 0.00 0.00 174.62 173.62 3min s THR 104 N 1.31 3.77 0.00 -0.82 2.01 -1.25 -1.68 115.64 118.98 3min s THR 104 Ca 0.06 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.29 3min s THR 104 Cb -0.25 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.47 3min s THR 104 CO -0.01 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 3min n GLY 105 N 3.41 0.63 1.02 4.40 0.00 0.26 -4.89 105.19 110.02 3min n GLY 105 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3min n GLY 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3min n VAL 106 N -2.00 0.00 0.25 1.61 0.31 -0.83 -4.94 118.33 112.73 3min n VAL 106 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 3min n VAL 106 Cb 0.00 -0.87 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 3min n VAL 106 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3min n ASN 107 N -2.40 1.47 -4.22 4.52 6.94 -0.67 -4.34 115.26 116.56 3min n ASN 107 Ca 0.00 -0.40 -0.20 0.00 -0.02 0.00 0.00 54.58 53.96 3min n ASN 107 Cb 0.00 1.21 -0.12 0.00 -2.36 0.00 0.00 39.78 38.51 3min n ASN 107 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3min s ALA 108 N -2.27 1.45 0.00 -2.53 0.00 -0.75 -4.32 121.76 113.34 3min s ALA 108 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3min s ALA 108 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3min s ALA 108 CO 0.41 0.22 0.48 1.19 0.00 0.00 0.00 175.76 178.06 3min n PHE 109 N 1.07 0.00 -0.32 0.00 3.72 -0.62 -0.58 117.46 120.74 3min n PHE 109 Ca -0.20 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.28 3min n PHE 109 Cb 0.54 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.32 3min n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3min h VAL 110 N 2.92 0.81 -0.03 -4.37 2.07 -1.86 -1.04 116.25 114.75 3min h VAL 110 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3min h VAL 110 Cb 0.98 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3min h VAL 110 CO 0.00 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.08 3min n THR 111 N -4.77 0.03 -2.84 2.57 -2.24 -1.26 -4.78 114.28 100.99 3min n THR 111 Ca 0.18 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.51 3min n THR 111 Cb 0.41 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3min n THR 111 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3min s MET 112 N -1.97 3.64 -0.38 -0.78 1.00 -0.40 -4.48 119.30 115.94 3min s MET 112 Ca 0.39 0.25 -0.01 0.00 0.00 0.00 0.00 55.69 56.32 3min s MET 112 Cb 0.20 -2.43 0.10 0.00 0.00 0.00 0.00 34.83 32.70 3min s MET 112 CO 0.32 -0.07 0.14 1.21 0.00 0.00 0.00 175.02 176.62 3min s ASN 113 N -3.62 5.10 -0.17 3.03 2.47 -1.26 -4.92 114.94 115.57 3min s ASN 113 Ca 0.48 -1.94 -0.13 0.00 0.42 0.00 0.00 52.86 51.69 3min s ASN 113 Cb -0.10 -1.77 -0.05 0.00 -1.45 0.00 0.00 41.25 37.88 3min s ASN 113 CO 0.37 -0.47 0.26 -0.36 -3.72 0.00 0.00 177.10 173.19 3min s PHE 114 N 1.11 3.45 0.09 0.43 0.40 -1.26 -5.06 117.98 117.14 3min s PHE 114 Ca 0.07 0.54 -0.07 0.00 -0.60 0.00 0.00 56.93 56.87 3min s PHE 114 Cb -0.22 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 3min s PHE 114 CO -0.05 0.24 0.16 -0.08 0.70 0.00 0.00 175.22 176.19 3min s THR 115 N 0.47 0.15 -2.37 0.64 -1.32 -1.26 -1.09 115.64 110.85 3min s THR 115 Ca 0.15 -1.33 0.26 0.00 -1.21 0.00 0.00 61.69 59.56 3min s THR 115 Cb -0.13 -1.44 0.33 0.00 -1.51 0.00 0.00 72.50 69.75 3min s THR 115 CO 0.03 -0.67 1.51 -1.54 -2.21 0.00 0.00 174.62 171.73 3min n SER 116 N -0.05 1.80 -4.04 8.08 3.41 -1.04 -4.94 113.62 116.84 3min n SER 116 Ca -0.14 -1.47 -0.38 0.00 -0.26 0.00 0.00 58.87 56.62 3min n SER 116 Cb 0.62 0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3min n SER 116 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3min n ASP 117 N 0.22 -2.72 -4.65 4.04 2.03 -1.02 -4.78 116.55 109.67 3min n ASP 117 Ca 0.15 -1.11 -0.51 0.00 0.52 0.00 0.00 54.79 53.84 3min n ASP 117 Cb 0.42 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 3min n ASP 117 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3min n PHE 118 N -4.40 1.93 -4.03 -0.67 3.01 -0.19 -4.83 117.46 108.29 3min n PHE 118 Ca -0.13 0.43 -0.24 0.00 1.01 0.00 0.00 57.45 58.53 3min n PHE 118 Cb 0.49 -2.46 -0.06 0.00 -0.01 0.00 0.00 39.48 37.44 3min n PHE 118 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3min s GLN 119 N 1.78 2.28 0.47 -1.08 -1.52 -1.26 -4.48 119.66 115.84 3min s GLN 119 Ca 0.87 -1.82 0.22 0.00 -1.95 0.00 0.00 55.36 52.69 3min s GLN 119 Cb -0.88 -2.05 1.23 0.00 -0.22 0.00 0.00 33.01 31.10 3min s GLN 119 CO 0.49 -0.17 1.90 1.49 -0.25 0.00 0.00 175.29 178.76 3min h GLU 120 N 1.32 0.23 -0.13 2.91 4.81 -2.00 -0.89 114.58 120.83 3min h GLU 120 Ca -0.42 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 3min h GLU 120 Cb 1.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3min h GLU 120 CO 0.67 0.15 -0.27 1.57 -0.73 0.00 0.00 179.01 180.41 3min h LYS 121 N 0.24 0.24 -0.17 1.92 -0.00 -1.98 -1.17 116.57 115.64 3min h LYS 121 Ca 0.40 -0.08 -0.14 0.00 -0.00 0.00 0.00 60.65 60.83 3min h LYS 121 Cb 1.21 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.41 3min h LYS 121 CO -0.09 0.49 -0.50 -0.44 -0.00 0.00 0.00 179.45 178.91 3min h ASP 122 N 0.21 0.52 -0.22 7.07 3.32 -1.46 0.47 116.42 126.32 3min h ASP 122 Ca 0.03 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 3min h ASP 122 Cb 0.59 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3min h ASP 122 CO 0.04 0.93 -0.06 0.40 -1.72 0.00 0.00 179.24 178.84 3min h ILE 123 N 0.37 1.29 -0.09 0.35 1.08 -1.28 0.41 117.51 119.65 3min h ILE 123 Ca 0.02 -1.06 -0.14 0.00 -0.39 0.00 0.00 64.86 63.29 3min h ILE 123 Cb 1.01 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3min h ILE 123 CO 0.09 0.32 -0.56 0.58 -0.69 0.00 0.00 178.15 177.89 3min h VAL 124 N 0.16 1.37 0.00 1.67 2.07 -1.09 -3.35 116.25 117.08 3min h VAL 124 Ca 0.06 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3min h VAL 124 Cb 0.52 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3min h VAL 124 CO 0.02 0.56 0.00 0.49 0.02 0.00 0.00 177.57 178.66 3min n PHE 125 N -3.91 0.00 0.00 1.57 3.72 0.14 -5.09 117.46 113.89 3min n PHE 125 Ca -0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3min n PHE 125 Cb 0.59 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 3min n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3min n GLY 126 N -0.13 -0.10 1.17 1.37 0.00 0.15 -4.89 105.19 102.77 3min n GLY 126 Ca 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3min n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 127 N 0.68 1.89 0.19 -0.02 0.00 -1.23 -4.50 105.19 102.20 3min n GLY 127 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 3min n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3min h ASP 128 N 3.00 0.26 -0.14 1.61 3.32 -1.94 0.25 116.42 122.79 3min h ASP 128 Ca 0.00 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3min h ASP 128 Cb 1.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 3min h ASP 128 CO 0.13 0.67 -0.10 0.11 -1.72 0.00 0.00 179.24 178.33 3min h LYS 129 N 0.21 0.32 -0.91 3.56 1.57 -1.96 -1.88 116.57 117.48 3min h LYS 129 Ca 0.02 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3min h LYS 129 Cb 0.85 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 3min h LYS 129 CO 0.07 0.68 0.60 -0.22 -0.57 0.00 0.00 179.45 180.00 3min h LYS 130 N -0.03 1.21 -0.60 3.15 3.64 -1.79 -1.57 116.57 120.57 3min h LYS 130 Ca 0.03 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3min h LYS 130 Cb 0.60 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3min h LYS 130 CO 0.03 0.81 0.33 1.25 -2.27 0.00 0.00 179.45 179.60 3min h LEU 131 N 1.24 0.75 -0.34 5.20 6.46 -0.75 -0.52 115.31 127.34 3min h LEU 131 Ca 0.33 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 3min h LEU 131 Cb -0.13 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 3min h LEU 131 CO -0.07 0.62 0.13 0.00 -0.62 0.00 0.00 178.44 178.50 3min h ALA 132 N 1.16 0.45 -0.32 1.25 0.00 -0.87 -1.33 119.26 119.60 3min h ALA 132 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3min h ALA 132 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3min h ALA 132 CO -0.04 0.06 0.18 0.87 0.00 0.00 0.00 179.25 180.32 3min h LYS 133 N 0.40 0.36 0.00 0.00 1.57 -1.06 -2.48 116.57 115.36 3min h LYS 133 Ca 0.11 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3min h LYS 133 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3min h LYS 133 CO -0.01 0.24 -0.39 1.37 -0.57 0.00 0.00 179.45 180.09 3min h LEU 134 N 0.37 0.00 -1.00 2.94 8.10 -1.00 -1.53 115.31 123.19 3min h LEU 134 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.09 3min h LEU 134 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.19 3min h LEU 134 CO -0.07 0.39 0.37 0.40 -4.11 0.00 0.00 178.44 175.43 3min h ILE 135 N 0.00 1.24 -0.31 0.15 2.04 -0.80 0.17 117.51 119.99 3min h ILE 135 Ca -0.00 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3min h ILE 135 Cb 0.76 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3min h ILE 135 CO 0.05 0.28 0.00 0.44 0.00 0.00 0.00 178.15 178.93 3min h ASP 136 N 1.08 0.54 -0.93 1.72 3.32 -1.06 -1.10 116.42 119.99 3min h ASP 136 Ca 0.27 -0.31 0.07 0.00 0.02 0.00 0.00 57.03 57.08 3min h ASP 136 Cb 0.10 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 3min h ASP 136 CO -0.04 0.71 0.59 -0.33 -1.72 0.00 0.00 179.24 178.45 3min h GLU 137 N 0.35 1.03 -0.31 3.56 5.08 -0.85 0.89 114.58 124.33 3min h GLU 137 Ca 0.09 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3min h GLU 137 Cb 0.43 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3min h GLU 137 CO 0.02 0.68 -0.10 0.28 -1.00 0.00 0.00 179.01 178.88 3min h VAL 138 N 1.06 1.23 -0.03 3.13 2.07 -0.41 -1.04 116.25 122.25 3min h VAL 138 Ca 0.41 -0.99 -0.24 0.00 0.82 0.00 0.00 66.70 66.70 3min h VAL 138 Cb 0.19 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3min h VAL 138 CO -0.18 0.33 -0.93 -0.08 0.02 0.00 0.00 177.57 176.72 3min h GLU 139 N 0.48 0.58 0.02 1.57 4.57 0.12 0.69 114.58 122.62 3min h GLU 139 Ca 0.09 -0.58 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3min h GLU 139 Cb 0.47 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3min h GLU 139 CO 0.03 1.20 -0.01 1.79 -1.18 0.00 0.00 179.01 180.83 3min h THR 140 N 0.35 1.32 0.00 0.32 1.35 -0.56 -3.28 112.91 112.41 3min h THR 140 Ca -0.09 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3min h THR 140 Cb 1.56 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 3min h THR 140 CO 0.17 0.27 0.00 -0.07 -0.25 0.00 0.00 175.52 175.65 3min h LEU 141 N -0.50 0.00 -5.82 3.87 3.38 -1.28 -3.37 115.31 111.60 3min h LEU 141 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3min h LEU 141 Cb 0.47 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.82 3min h LEU 141 CO 0.00 0.00 -1.00 0.49 0.09 0.00 0.00 178.44 178.02 3min n PHE 142 N -2.97 1.37 0.34 1.13 3.72 0.24 -4.97 117.46 116.30 3min n PHE 142 Ca 0.04 -3.86 0.22 0.00 -0.05 0.00 0.00 57.45 53.80 3min n PHE 142 Cb 0.48 -0.44 1.17 0.00 -0.94 0.00 0.00 39.48 39.75 3min n PHE 142 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3min h PRO 143 N 3.19 0.00 -0.25 -1.08 0.13 -1.73 -1.81 132.00 130.46 3min h PRO 143 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3min h PRO 143 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3min h PRO 143 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 3min n LEU 144 N -3.11 1.94 -4.77 1.56 4.32 -1.26 -4.90 117.00 110.78 3min n LEU 144 Ca -0.03 -0.86 -0.38 0.00 -0.02 0.00 0.00 56.01 54.72 3min n LEU 144 Cb 0.10 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 41.74 3min n LEU 144 CO 0.20 0.43 0.88 0.54 -1.22 0.00 0.00 177.39 178.22 3min s ASN 145 N -1.41 6.29 -0.24 -1.43 2.20 -0.68 -4.82 114.94 114.85 3min s ASN 145 Ca 0.31 2.44 0.13 0.00 -0.94 0.00 0.00 52.86 54.80 3min s ASN 145 Cb 0.17 -2.62 0.56 0.00 -2.00 0.00 0.00 41.25 37.36 3min s ASN 145 CO 0.24 -0.85 1.51 0.29 -2.94 0.00 0.00 177.10 175.36 3min n LYS 146 N -0.14 2.73 0.00 3.55 5.02 -0.05 -5.03 118.16 124.24 3min n LYS 146 Ca 0.05 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 3min n LYS 146 Cb 0.46 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3min n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3min n GLY 147 N -0.65 3.47 3.11 0.72 0.00 -1.26 -4.71 105.19 105.87 3min n GLY 147 Ca 0.29 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 3min n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3min s ILE 148 N -2.00 0.78 -0.01 -0.61 1.01 -0.32 -1.40 121.20 118.66 3min s ILE 148 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.51 3min s ILE 148 Cb 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 3min s ILE 148 CO 0.00 -0.31 -0.07 -0.94 0.00 0.00 0.00 174.94 173.62 3min s SER 149 N -1.62 0.81 -0.20 3.58 1.04 -0.00 -0.97 113.70 116.35 3min s SER 149 Ca -0.06 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 3min s SER 149 Cb -0.10 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 3min s SER 149 CO 0.01 0.09 -0.09 0.68 0.98 0.00 0.00 173.24 174.90 3min s VAL 150 N -0.16 3.01 -0.42 5.02 -7.23 -0.23 -0.22 120.40 120.16 3min s VAL 150 Ca 0.03 -0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 59.41 3min s VAL 150 Cb -0.03 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.61 3min s VAL 150 CO -0.00 0.47 0.35 -1.10 -0.31 0.00 0.00 175.10 174.51 3min s GLN 151 N 1.25 3.01 0.00 4.82 -1.52 0.19 -0.74 119.66 126.67 3min s GLN 151 Ca 0.03 -0.98 -0.30 0.00 -1.95 0.00 0.00 55.36 52.16 3min s GLN 151 Cb -0.14 -3.99 -0.05 0.00 -0.22 0.00 0.00 33.01 28.61 3min s GLN 151 CO -0.04 -0.82 1.25 -1.12 -0.25 0.00 0.00 175.29 174.31 3min s SER 152 N 1.83 7.01 0.61 5.90 0.01 -0.48 -1.30 113.70 127.29 3min s SER 152 Ca 0.07 1.97 -0.04 0.00 1.31 0.00 0.00 55.95 59.26 3min s SER 152 Cb -0.19 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.51 3min s SER 152 CO 0.11 -0.58 0.90 -1.61 0.41 0.00 0.00 173.24 172.47 3min s GLU 153 N 1.81 2.56 0.25 12.44 2.02 -0.44 -2.64 118.70 134.70 3min s GLU 153 Ca 0.59 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 55.14 3min s GLU 153 Cb -0.28 -2.31 0.36 0.00 0.10 0.00 0.00 34.13 32.00 3min s GLU 153 CO 0.26 -0.88 1.57 0.00 0.02 0.00 0.00 175.26 176.22 3min h PRO 155 N -0.01 0.55 -0.90 0.00 0.11 -1.94 -3.27 132.00 126.53 3min h PRO 155 Ca 0.41 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.64 3min h PRO 155 Cb 0.66 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.55 3min h PRO 155 CO -0.96 0.36 0.51 0.82 -0.21 0.00 0.00 178.00 178.52 3min h ILE 156 N 0.56 0.77 0.19 4.15 1.08 -1.72 0.38 117.51 122.92 3min h ILE 156 Ca 0.27 -0.25 -0.26 0.00 -0.39 0.00 0.00 64.86 64.23 3min h ILE 156 Cb 0.34 -0.02 0.03 0.00 -3.07 0.00 0.00 36.82 34.09 3min h ILE 156 CO -0.08 0.13 -1.18 1.23 -0.69 0.00 0.00 178.15 177.56 3min h GLY 157 N 0.72 0.45 1.81 5.37 0.00 -1.78 -2.31 103.07 107.33 3min h GLY 157 Ca 0.49 -1.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 3min h GLY 157 CO -0.34 1.01 0.10 1.41 0.00 0.00 0.00 176.54 178.72 3min h LEU 158 N -0.14 0.23 0.00 3.11 3.38 -1.35 -2.10 115.31 118.43 3min h LEU 158 Ca -0.21 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3min h LEU 158 Cb 1.88 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 3min h LEU 158 CO 0.19 0.19 -0.51 -0.29 0.09 0.00 0.00 178.44 178.11 3min h ILE 159 N 0.26 0.65 -0.33 1.22 2.10 -0.35 -3.48 117.51 117.57 3min h ILE 159 Ca 0.07 -1.94 0.00 0.00 1.08 0.00 0.00 64.86 64.07 3min h ILE 159 Cb 0.01 2.28 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 3min h ILE 159 CO -0.01 0.37 0.00 0.61 -1.08 0.00 0.00 178.15 178.04 3min n GLY 160 N 1.22 0.95 3.88 8.18 0.00 -0.79 -4.96 105.19 113.67 3min n GLY 160 Ca 0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3min n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3min s ASP 161 N -2.66 6.16 -0.65 1.61 1.01 -0.88 -5.02 116.67 116.23 3min s ASP 161 Ca 0.00 1.29 0.05 0.00 0.71 0.00 0.00 52.55 54.60 3min s ASP 161 Cb 0.00 -2.37 0.17 0.00 1.01 0.00 0.00 42.92 41.73 3min s ASP 161 CO 0.00 -0.86 0.47 -0.62 0.21 0.00 0.00 175.17 174.37 3min s ASP 162 N -4.19 4.22 0.60 0.27 -1.08 -1.26 -4.89 116.67 110.35 3min s ASP 162 Ca 0.54 -3.72 0.38 0.00 -0.52 0.00 0.00 52.55 49.23 3min s ASP 162 Cb -0.11 -1.42 1.90 0.00 -1.46 0.00 0.00 42.92 41.83 3min s ASP 162 CO 0.52 -0.10 2.19 0.16 0.52 0.00 0.00 175.17 178.46 3min h ILE 163 N 4.43 0.11 -0.00 4.11 3.07 -1.95 -2.32 117.51 124.96 3min h ILE 163 Ca 0.17 -0.26 -0.00 0.00 1.55 0.00 0.00 64.86 66.31 3min h ILE 163 Cb 0.78 1.23 -0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3min h ILE 163 CO 0.66 0.02 -0.00 -0.33 -1.05 0.00 0.00 178.15 177.45 3min h GLU 164 N 0.00 0.01 -0.06 0.16 3.07 -1.95 0.24 114.58 116.04 3min h GLU 164 Ca -0.00 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 3min h GLU 164 Cb 0.23 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 3min h GLU 164 CO 0.00 0.35 -0.20 0.77 -1.40 0.00 0.00 179.01 178.53 3min h SER 165 N -0.33 -0.60 -0.66 1.42 0.02 -1.85 0.13 113.55 111.68 3min h SER 165 Ca 0.00 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3min h SER 165 Cb 0.34 0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 3min h SER 165 CO 0.00 -0.26 0.39 0.58 -1.14 0.00 0.00 176.83 176.40 3min h VAL 166 N -0.29 1.02 -0.68 2.27 2.07 -1.49 -0.76 116.25 118.39 3min h VAL 166 Ca 0.08 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3min h VAL 166 Cb 0.40 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3min h VAL 166 CO -0.23 0.13 0.36 0.28 0.02 0.00 0.00 177.57 178.13 3min h SER 167 N 0.74 0.87 -0.12 0.57 0.02 0.18 -0.68 113.55 115.13 3min h SER 167 Ca 0.28 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3min h SER 167 Cb 0.11 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 3min h SER 167 CO -0.15 0.73 0.01 0.11 -1.14 0.00 0.00 176.83 176.40 3min h LYS 168 N 0.94 0.20 0.69 3.45 1.57 -0.20 0.26 116.57 123.48 3min h LYS 168 Ca 0.24 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3min h LYS 168 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3min h LYS 168 CO -0.04 0.41 -0.35 0.28 -0.57 0.00 0.00 179.45 179.18 3min h VAL 169 N -0.04 0.28 -0.63 0.50 2.07 -0.98 0.83 116.25 118.28 3min h VAL 169 Ca 0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 3min h VAL 169 Cb 0.31 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3min h VAL 169 CO 0.00 0.00 0.10 0.11 0.02 0.00 0.00 177.57 177.80 3min h LYS 170 N -0.96 1.03 -0.43 1.57 1.79 -1.19 -0.06 116.57 118.32 3min h LYS 170 Ca -0.09 -0.26 0.02 0.00 -2.18 0.00 0.00 60.65 58.13 3min h LYS 170 Cb 0.75 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 3min h LYS 170 CO 0.14 0.94 0.25 0.78 -1.08 0.00 0.00 179.45 180.48 3min h GLY 171 N 1.04 0.60 0.55 3.86 0.00 -0.77 -0.12 103.07 108.23 3min h GLY 171 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3min h GLY 171 CO 0.01 0.16 -0.39 0.00 0.00 0.00 0.00 176.54 176.32 3min h ALA 172 N 1.20 -1.16 -0.30 3.60 0.00 -0.51 0.34 119.26 122.43 3min h ALA 172 Ca 0.17 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3min h ALA 172 Cb 0.02 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3min h ALA 172 CO -0.09 -1.14 -0.46 1.49 0.00 0.00 0.00 179.25 179.05 3min h GLU 173 N -0.90 -0.40 -0.01 0.00 4.81 -0.89 -2.32 114.58 114.88 3min h GLU 173 Ca -0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3min h GLU 173 Cb 0.74 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3min h GLU 173 CO 0.04 -0.27 -0.04 1.28 -0.73 0.00 0.00 179.01 179.30 3min n LEU 174 N -5.42 0.93 -3.80 1.64 4.77 -0.07 -4.92 117.00 110.13 3min n LEU 174 Ca -0.03 -0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 55.41 3min n LEU 174 Cb 0.36 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3min n LEU 174 CO 0.06 0.16 0.08 -1.20 -1.33 0.00 0.00 177.39 175.16 3min n SER 175 N -0.36 -3.95 -4.26 -1.43 7.64 0.11 -4.98 113.62 106.39 3min n SER 175 Ca 0.19 -0.75 -0.28 0.00 1.01 0.00 0.00 58.87 59.03 3min n SER 175 Cb 0.28 -4.12 -0.15 0.00 -1.01 0.00 0.00 64.21 59.21 3min n SER 175 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3min s LYS 176 N -6.37 1.75 -0.47 1.43 2.47 -0.46 -5.04 119.74 113.05 3min s LYS 176 Ca 0.46 -0.86 -0.27 0.00 -1.56 0.00 0.00 55.97 53.73 3min s LYS 176 Cb -0.22 -1.75 0.03 0.00 -1.46 0.00 0.00 37.83 34.43 3min s LYS 176 CO 0.81 0.47 1.04 0.99 0.16 0.00 0.00 175.35 178.82 3min s THR 177 N -0.60 4.33 -0.19 3.43 2.01 -1.26 -4.33 115.64 119.02 3min s THR 177 Ca 0.09 1.00 0.01 0.00 0.31 0.00 0.00 61.69 63.10 3min s THR 177 Cb -0.09 -4.53 0.03 0.00 0.01 0.00 0.00 72.50 67.92 3min s THR 177 CO -0.00 -0.93 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.19 3min s ILE 178 N 4.12 2.05 -0.31 1.82 1.01 -1.26 -1.17 121.20 127.46 3min s ILE 178 Ca 0.43 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3min s ILE 178 Cb -0.09 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3min s ILE 178 CO 0.29 0.42 0.23 -0.69 0.00 0.00 0.00 174.94 175.19 3min s VAL 179 N 1.26 5.28 -0.03 2.92 1.01 -0.14 -4.79 120.40 125.92 3min s VAL 179 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3min s VAL 179 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3min s VAL 179 CO -0.11 0.10 0.98 -2.16 0.00 0.00 0.00 175.10 173.91 3min s PRO 180 N 1.77 4.53 -0.19 2.72 0.04 -1.26 -1.07 135.00 141.54 3min s PRO 180 Ca 0.07 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.53 3min s PRO 180 Cb -0.17 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 30.94 3min s PRO 180 CO 0.11 -0.11 -0.09 0.08 0.04 0.00 0.00 177.00 177.03 3min s VAL 181 N 1.24 1.51 -1.16 -0.36 1.01 0.08 -4.91 120.40 117.80 3min s VAL 181 Ca 0.51 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3min s VAL 181 Cb -0.20 -1.63 0.23 0.00 0.00 0.00 0.00 36.38 34.78 3min s VAL 181 CO 0.26 0.13 1.32 0.54 0.00 0.00 0.00 175.10 177.35 3min n ARG 182 N 4.73 3.56 -1.64 2.72 1.74 -1.26 -1.38 116.66 125.12 3min n ARG 182 Ca -0.14 -4.17 -0.29 0.00 -0.77 0.00 0.00 57.85 52.48 3min n ARG 182 Cb 0.47 -2.76 0.06 0.00 -1.02 0.00 0.00 32.46 29.20 3min n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3min n GLU 184 N -0.83 2.55 0.28 0.00 4.71 -1.08 -1.73 120.64 124.53 3min n GLU 184 Ca 0.53 0.91 0.15 0.00 -0.01 0.00 0.00 57.16 58.74 3min n GLU 184 Cb 0.82 -2.66 0.73 0.00 -1.01 0.00 0.00 31.44 29.32 3min n GLU 184 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3min h GLY 185 N 4.78 0.00 1.99 0.62 0.00 -1.86 -0.59 103.07 108.01 3min h GLY 185 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3min h GLY 185 CO 0.79 0.00 -0.01 1.97 0.00 0.00 0.00 176.54 179.30 3min n PHE 186 N -3.03 0.01 -2.80 5.60 1.16 -1.26 -4.26 117.46 112.88 3min n PHE 186 Ca 0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.19 3min n PHE 186 Cb 0.50 -0.50 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 3min n PHE 186 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3min s ARG 187 N -3.00 4.74 2.13 3.97 0.52 -0.23 -4.87 118.95 122.22 3min s ARG 187 Ca 0.14 1.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.75 3min s ARG 187 Cb 0.19 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3min s ARG 187 CO 0.53 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.68 3min n GLY 188 N 1.79 -0.70 0.06 -3.53 0.00 -1.26 -4.29 105.19 97.26 3min n GLY 188 Ca -0.01 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 44.91 3min n GLY 188 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3min n VAL 189 N -0.44 0.14 -3.95 1.61 0.24 -1.26 -5.00 118.33 109.67 3min n VAL 189 Ca 0.00 -0.57 -0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3min n VAL 189 Cb 0.00 0.96 0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3min n VAL 189 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3min n SER 190 N 0.02 -1.45 0.00 -1.34 3.41 -1.26 -4.71 113.62 108.29 3min n SER 190 Ca 0.01 -1.58 0.04 0.00 -0.26 0.00 0.00 58.87 57.08 3min n SER 190 Cb 0.07 2.31 0.20 0.00 -0.26 0.00 0.00 64.21 66.53 3min n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3min n GLN 191 N -0.80 0.05 -0.08 4.33 0.00 -1.18 -3.25 117.38 116.45 3min n GLN 191 Ca 0.01 0.29 -0.08 0.00 0.00 0.00 0.00 57.00 57.22 3min n GLN 191 Cb 0.57 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.30 3min n GLN 191 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3min h SER 192 N 0.00 0.17 0.20 2.61 0.87 -1.87 -2.31 113.55 113.22 3min h SER 192 Ca 0.00 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3min h SER 192 Cb 0.12 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3min h SER 192 CO 0.00 0.13 -0.12 0.25 -0.53 0.00 0.00 176.83 176.57 3min h LEU 193 N 0.27 0.00 -1.46 2.23 5.85 -1.89 -1.18 115.31 119.14 3min h LEU 193 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3min h LEU 193 Cb 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3min h LEU 193 CO -0.11 0.12 0.25 1.23 -0.34 0.00 0.00 178.44 179.59 3min h GLY 194 N 0.51 0.66 0.95 3.75 0.00 -1.57 0.09 103.07 107.46 3min h GLY 194 Ca -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3min h GLY 194 CO 0.02 0.27 0.06 0.45 0.00 0.00 0.00 176.54 177.33 3min h HIS 195 N 0.63 0.76 -0.48 5.60 3.86 -1.11 -0.74 115.15 123.66 3min h HIS 195 Ca 0.16 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 3min h HIS 195 Cb 0.01 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3min h HIS 195 CO 0.00 0.74 -0.03 1.25 0.86 0.00 0.00 177.93 180.75 3min h HIS 196 N 0.56 0.95 -0.44 2.45 6.17 -1.21 0.52 115.15 124.14 3min h HIS 196 Ca 0.13 -0.18 -0.03 0.00 0.71 0.00 0.00 60.37 61.00 3min h HIS 196 Cb 0.40 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 3min h HIS 196 CO 0.03 0.91 0.17 0.82 0.71 0.00 0.00 177.93 180.57 3min h ILE 197 N 0.71 1.21 -0.60 6.26 2.04 -0.92 -1.42 117.51 124.79 3min h ILE 197 Ca 0.13 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3min h ILE 197 Cb 0.55 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3min h ILE 197 CO 0.03 0.24 0.22 0.00 0.00 0.00 0.00 178.15 178.64 3min h ALA 198 N 1.02 0.78 -0.26 1.87 0.00 -0.95 0.11 119.26 121.83 3min h ALA 198 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3min h ALA 198 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3min h ALA 198 CO -0.01 0.41 0.12 -0.91 0.00 0.00 0.00 179.25 178.86 3min h ASN 199 N 0.84 0.34 -0.25 0.00 -0.26 -0.75 -1.14 115.58 114.36 3min h ASN 199 Ca 0.20 -0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 3min h ASN 199 Cb 0.23 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 3min h ASN 199 CO -0.01 0.38 -0.00 0.44 -1.06 0.00 0.00 177.43 177.17 3min h ASP 200 N 0.28 0.52 -0.34 5.81 3.32 -0.92 -0.83 116.42 124.26 3min h ASP 200 Ca 0.09 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3min h ASP 200 Cb 0.13 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3min h ASP 200 CO -0.01 0.59 -0.20 0.00 -1.72 0.00 0.00 179.24 177.90 3min h ALA 201 N 1.47 0.86 -0.20 3.45 0.00 -0.49 -0.53 119.26 123.82 3min h ALA 201 Ca 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3min h ALA 201 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3min h ALA 201 CO 0.01 0.64 0.10 0.28 0.00 0.00 0.00 179.25 180.28 3min h VAL 202 N 0.72 1.00 0.28 0.00 2.07 -0.61 -1.35 116.25 118.36 3min h VAL 202 Ca 0.10 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3min h VAL 202 Cb 0.72 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3min h VAL 202 CO 0.06 0.04 -0.49 -0.09 0.02 0.00 0.00 177.57 177.11 3min h ARG 203 N 0.22 -0.80 0.00 1.57 2.43 -0.93 0.18 114.38 117.06 3min h ARG 203 Ca 0.08 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3min h ARG 203 Cb 0.02 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3min h ARG 203 CO -0.05 -0.53 -0.43 -0.44 -1.51 0.00 0.00 179.97 177.00 3min h ASP 204 N -0.83 0.00 -0.00 -3.80 3.32 -1.01 -3.35 116.42 110.75 3min h ASP 204 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3min h ASP 204 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3min h ASP 204 CO -0.18 0.43 -0.01 0.79 -1.72 0.00 0.00 179.24 178.55 3min n TRP 205 N -3.95 0.00 0.00 4.55 7.02 -0.52 -4.91 117.44 119.63 3min n TRP 205 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 3min n TRP 205 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 3min n TRP 205 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3min n VAL 206 N -0.92 0.00 0.28 -0.99 0.31 -0.10 -4.89 118.33 112.02 3min n VAL 206 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3min n VAL 206 Cb 0.01 -0.68 0.81 0.00 -0.91 0.00 0.00 33.84 33.07 3min n VAL 206 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3min h LEU 207 N 0.00 0.00 -0.05 7.52 5.85 -1.27 -2.42 115.31 124.93 3min h LEU 207 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3min h LEU 207 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3min h LEU 207 CO 0.00 0.06 -0.30 0.61 -0.34 0.00 0.00 178.44 178.47 3min n GLY 208 N -1.05 -1.25 0.39 3.75 0.00 -1.26 -4.49 105.19 101.27 3min n GLY 208 Ca -0.02 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 45.93 3min n GLY 208 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3min h LYS 209 N 0.13 0.02 -0.51 1.61 3.64 -1.77 -1.81 116.57 117.88 3min h LYS 209 Ca 0.00 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3min h LYS 209 Cb 0.49 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 3min h LYS 209 CO 0.00 0.02 0.11 0.54 -2.27 0.00 0.00 179.45 177.85 3min n ARG 210 N -4.38 3.26 0.09 1.90 1.74 -1.26 -4.71 116.66 113.30 3min n ARG 210 Ca 0.10 -3.04 0.12 0.00 -0.77 0.00 0.00 57.85 54.27 3min n ARG 210 Cb 0.62 -2.04 0.61 0.00 -1.02 0.00 0.00 32.46 30.63 3min n ARG 210 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3min h ASP 211 N 2.22 0.12 0.31 0.55 3.32 -1.64 -0.26 116.42 121.05 3min h ASP 211 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3min h ASP 211 Cb 1.92 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.45 3min h ASP 211 CO 0.50 0.08 -0.36 -1.84 -1.72 0.00 0.00 179.24 175.90 3min n GLU 212 N -4.47 0.55 -2.55 3.56 -0.00 -1.26 -4.86 120.64 111.60 3min n GLU 212 Ca 0.04 -0.33 -0.42 0.00 -0.00 0.00 0.00 57.16 56.45 3min n GLU 212 Cb 0.29 -1.49 -0.03 0.00 -0.00 0.00 0.00 31.44 30.21 3min n GLU 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3min s ASP 213 N -2.68 6.35 0.40 -1.84 1.11 -0.11 -4.80 116.67 115.11 3min s ASP 213 Ca 0.19 0.02 0.22 0.00 0.18 0.00 0.00 52.55 53.16 3min s ASP 213 Cb 0.19 -2.55 0.50 0.00 1.07 0.00 0.00 42.92 42.12 3min s ASP 213 CO 0.59 -1.58 1.65 0.71 1.18 0.00 0.00 175.17 177.72 3min h THR 214 N 6.16 0.41 0.00 -1.27 1.35 -1.89 -3.38 112.91 114.29 3min h THR 214 Ca -0.26 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3min h THR 214 Cb 1.06 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 3min h THR 214 CO 1.20 0.21 0.26 0.71 -0.25 0.00 0.00 175.52 177.66 3min h THR 215 N 0.00 0.00 -3.32 6.82 1.35 -1.97 -3.43 112.91 112.36 3min h THR 215 Ca -0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.28 3min h THR 215 Cb 1.01 0.45 -0.07 0.00 -1.73 0.00 0.00 68.15 67.81 3min h THR 215 CO 0.03 0.00 0.34 0.12 -0.25 0.00 0.00 175.52 175.76 3min s PHE 216 N -3.62 3.42 -0.97 4.73 5.36 -1.26 -4.95 117.98 120.68 3min s PHE 216 Ca -0.02 1.21 -0.23 0.00 -0.96 0.00 0.00 56.93 56.93 3min s PHE 216 Cb 0.06 -2.98 0.06 0.00 -0.34 0.00 0.00 43.02 39.82 3min s PHE 216 CO 0.19 -0.23 1.37 0.00 -1.46 0.00 0.00 175.22 175.09 3min s ALA 217 N 2.09 2.84 0.75 11.12 0.00 -1.26 -4.98 121.76 132.32 3min s ALA 217 Ca 0.37 -2.27 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 3min s ALA 217 Cb -0.16 -4.41 0.04 0.00 0.00 0.00 0.00 23.12 18.59 3min s ALA 217 CO 0.12 -3.46 1.10 -1.12 0.00 0.00 0.00 175.76 172.39 3min s SER 218 N 4.62 4.62 0.27 0.00 0.01 -1.26 -5.09 113.70 116.88 3min s SER 218 Ca 0.42 1.87 0.04 0.00 1.31 0.00 0.00 55.95 59.59 3min s SER 218 Cb -0.02 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 3min s SER 218 CO -0.07 -1.96 0.00 0.42 0.41 0.00 0.00 173.24 172.04 3min s THR 219 N -2.77 1.24 -1.11 1.44 -4.23 -1.26 -5.02 115.64 103.94 3min s THR 219 Ca 0.63 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3min s THR 219 Cb -0.18 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.19 3min s THR 219 CO 0.53 -0.22 1.08 -0.81 -0.54 0.00 0.00 174.62 174.66 3min n PRO 220 N -0.54 0.01 -0.31 3.99 -0.04 -1.26 -3.28 135.00 133.57 3min n PRO 220 Ca -0.04 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 63.88 3min n PRO 220 Cb 0.65 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.81 3min n PRO 220 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3min n TYR 221 N -1.45 0.68 -2.62 0.54 4.01 -1.26 -4.86 117.16 112.19 3min n TYR 221 Ca 0.01 -0.75 -0.42 0.00 -0.16 0.00 0.00 57.90 56.58 3min n TYR 221 Cb 0.04 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 3min n TYR 221 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3min s ASP 222 N -1.68 7.32 0.13 7.72 1.01 -1.20 -1.33 116.67 128.63 3min s ASP 222 Ca 0.33 1.82 0.01 0.00 0.71 0.00 0.00 52.55 55.43 3min s ASP 222 Cb 0.25 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3min s ASP 222 CO 0.10 -0.27 -0.02 0.54 0.21 0.00 0.00 175.17 175.74 3min s VAL 223 N 0.67 0.55 -0.01 -1.27 0.11 -0.02 -0.45 120.40 119.99 3min s VAL 223 Ca 0.52 -1.94 0.01 0.00 -2.93 0.00 0.00 61.98 57.65 3min s VAL 223 Cb -0.24 -1.89 -0.00 0.00 -1.53 0.00 0.00 36.38 32.71 3min s VAL 223 CO 0.29 -0.67 -0.04 0.00 -3.33 0.00 0.00 175.10 171.36 3min s ALA 224 N -3.73 0.34 -0.32 1.54 0.00 -0.90 -1.06 121.76 117.63 3min s ALA 224 Ca 0.18 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.78 3min s ALA 224 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3min s ALA 224 CO -0.01 0.07 0.64 0.42 0.00 0.00 0.00 175.76 176.88 3min s ILE 225 N -0.02 4.92 -0.18 0.00 1.01 -0.09 -1.54 121.20 125.29 3min s ILE 225 Ca 0.01 0.78 -0.07 0.00 0.00 0.00 0.00 60.65 61.37 3min s ILE 225 Cb -0.02 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3min s ILE 225 CO -0.00 -0.20 0.04 -0.63 0.00 0.00 0.00 174.94 174.15 3min s ILE 226 N 2.65 4.53 -0.22 2.92 -1.09 0.32 -0.52 121.20 129.80 3min s ILE 226 Ca 0.25 -0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 3min s ILE 226 Cb -0.15 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 3min s ILE 226 CO 0.13 0.45 0.19 0.61 -1.23 0.00 0.00 174.94 175.09 3min n GLY 227 N 3.68 0.60 2.83 6.18 0.00 -1.23 -1.33 105.19 115.91 3min n GLY 227 Ca -0.17 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 3min n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3min s ASP 228 N -3.10 1.69 -0.10 1.61 -1.08 -1.17 -2.31 116.67 112.20 3min s ASP 228 Ca 0.07 -0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.14 3min s ASP 228 Cb -0.03 -0.56 0.71 0.00 -1.46 0.00 0.00 42.92 41.58 3min s ASP 228 CO 0.12 -0.15 1.62 -1.22 0.52 0.00 0.00 175.17 176.06 3min n TYR 229 N 4.95 1.43 -3.79 -5.34 4.01 -1.26 -2.36 117.16 114.79 3min n TYR 229 Ca -0.11 -0.61 -0.25 0.00 -0.16 0.00 0.00 57.90 56.78 3min n TYR 229 Cb 0.50 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 3min n TYR 229 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3min n ASN 230 N 1.14 -2.46 -4.64 7.72 5.15 -1.26 -4.18 115.26 116.73 3min n ASN 230 Ca 0.26 -0.82 -0.43 0.00 -0.60 0.00 0.00 54.58 52.99 3min n ASN 230 Cb 0.86 -3.94 -0.03 0.00 -0.53 0.00 0.00 39.78 36.15 3min n ASN 230 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3min s ILE 231 N -3.55 3.73 -0.71 -1.44 -1.09 -1.25 -1.57 121.20 115.32 3min s ILE 231 Ca 0.25 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 3min s ILE 231 Cb -0.12 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 3min s ILE 231 CO 0.82 -0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 3min n GLY 232 N 4.44 0.79 0.16 6.18 0.00 -0.67 -2.20 105.19 113.89 3min n GLY 232 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3min n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 233 N -0.79 0.86 0.44 -0.02 0.00 -0.60 -2.72 105.19 102.34 3min n GLY 233 Ca -0.07 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.23 3min n GLY 233 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3min h ASP 234 N 0.00 0.34 0.73 1.61 3.32 -1.57 0.43 116.42 121.28 3min h ASP 234 Ca 0.00 0.09 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 3min h ASP 234 Cb 0.00 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3min h ASP 234 CO 0.00 0.01 -1.00 0.00 -1.72 0.00 0.00 179.24 176.53 3min h ALA 235 N 1.59 0.38 -0.53 3.45 0.00 -1.87 -3.04 119.26 119.23 3min h ALA 235 Ca 0.65 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3min h ALA 235 Cb 1.88 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 3min h ALA 235 CO -0.29 1.03 -0.12 -1.49 0.00 0.00 0.00 179.25 178.37 3min h TRP 236 N 0.06 1.14 0.00 0.00 6.55 -1.31 0.14 115.95 122.54 3min h TRP 236 Ca -0.05 -0.24 0.00 0.00 0.95 0.00 0.00 58.89 59.54 3min h TRP 236 Cb 1.69 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 29.71 3min h TRP 236 CO 0.03 1.07 0.00 -1.13 -1.05 0.00 0.00 178.44 177.35 3min n SER 237 N -4.16 0.00 -0.10 -3.49 3.41 -0.92 -2.51 113.62 105.85 3min n SER 237 Ca 0.01 -0.22 -0.23 0.00 -0.26 0.00 0.00 58.87 58.17 3min n SER 237 Cb 0.41 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 3min n SER 237 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3min n SER 238 N -1.23 1.91 -0.11 4.04 7.64 -0.69 -4.32 113.62 120.85 3min n SER 238 Ca 0.14 0.36 -0.06 0.00 1.01 0.00 0.00 58.87 60.32 3min n SER 238 Cb 0.19 -0.91 0.01 0.00 -1.01 0.00 0.00 64.21 62.49 3min n SER 238 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3min h ARG 239 N -0.85 -0.11 -0.98 1.43 2.43 -0.69 -1.59 114.38 114.01 3min h ARG 239 Ca -0.44 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 58.87 3min h ARG 239 Cb 1.47 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.96 3min h ARG 239 CO -0.22 -0.07 0.62 0.97 -1.51 0.00 0.00 179.97 179.75 3min h ILE 240 N -0.11 0.86 -0.26 1.20 2.10 -1.71 -0.58 117.51 119.00 3min h ILE 240 Ca 0.19 -0.30 -0.10 0.00 1.08 0.00 0.00 64.86 65.73 3min h ILE 240 Cb 0.40 -0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 36.03 3min h ILE 240 CO -0.45 0.16 -0.22 -0.07 -1.08 0.00 0.00 178.15 176.49 3min h LEU 241 N 0.88 0.64 -0.55 2.19 3.38 -1.48 -1.01 115.31 119.36 3min h LEU 241 Ca 0.50 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3min h LEU 241 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3min h LEU 241 CO -0.27 0.97 0.11 -0.07 0.09 0.00 0.00 178.44 179.27 3min h LEU 242 N 0.33 0.85 -0.48 1.67 3.38 -1.20 -1.61 115.31 118.25 3min h LEU 242 Ca 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3min h LEU 242 Cb 0.78 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3min h LEU 242 CO 0.06 0.88 0.30 -0.08 0.09 0.00 0.00 178.44 179.69 3min h GLU 243 N 0.79 0.64 -0.27 1.13 4.57 -1.03 -1.86 114.58 118.54 3min h GLU 243 Ca 0.17 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3min h GLU 243 Cb 0.37 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3min h GLU 243 CO 0.01 0.44 0.11 0.93 -1.18 0.00 0.00 179.01 179.32 3min h GLU 244 N 0.64 0.37 -1.00 1.92 5.08 -0.89 0.51 114.58 121.21 3min h GLU 244 Ca 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3min h GLU 244 Cb -0.05 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3min h GLU 244 CO -0.04 0.31 0.00 -0.12 -1.00 0.00 0.00 179.01 178.16 3min n MET 245 N -4.43 1.01 0.00 2.33 1.56 -0.63 -4.86 117.12 112.09 3min n MET 245 Ca 0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3min n MET 245 Cb 0.12 -1.07 0.00 0.00 2.15 0.00 0.00 33.22 34.42 3min n MET 245 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3min n GLY 246 N 0.43 1.64 3.83 -5.12 0.00 0.17 -4.76 105.19 101.38 3min n GLY 246 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3min n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3min s LEU 247 N 0.00 3.03 -0.15 0.99 1.43 -0.91 -4.94 118.68 118.13 3min s LEU 247 Ca 0.00 1.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 3min s LEU 247 Cb 0.00 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.89 3min s LEU 247 CO 0.00 -1.42 -0.16 -0.60 0.23 0.00 0.00 176.35 174.40 3min s ARG 248 N -5.12 3.18 -0.43 1.70 3.52 -0.44 -4.08 118.95 117.28 3min s ARG 248 Ca 0.58 -0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 55.24 3min s ARG 248 Cb -0.13 -2.59 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 3min s ARG 248 CO 0.54 0.01 0.45 0.00 -0.81 0.00 0.00 175.30 175.49 3min h VAL 250 N 5.74 1.35 -4.00 0.00 2.07 -1.48 -3.47 116.25 116.46 3min h VAL 250 Ca -0.26 -2.05 -0.13 0.00 0.82 0.00 0.00 66.70 65.07 3min h VAL 250 Cb 1.11 2.03 -0.17 0.00 -1.52 0.00 0.00 31.29 32.74 3min h VAL 250 CO 0.81 0.63 -0.62 0.00 0.02 0.00 0.00 177.57 178.40 3min s ALA 251 N -3.70 0.18 -0.20 1.67 0.00 -1.25 -4.78 121.76 113.67 3min s ALA 251 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3min s ALA 251 Cb 0.10 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.52 3min s ALA 251 CO 0.85 -0.30 -0.01 -1.14 0.00 0.00 0.00 175.76 175.16 3min s GLN 252 N -2.82 1.13 -0.61 0.00 0.74 -1.26 -0.92 119.66 115.93 3min s GLN 252 Ca -0.03 -0.63 -0.21 0.00 0.05 0.00 0.00 55.36 54.54 3min s GLN 252 Cb -0.00 -2.25 0.08 0.00 1.10 0.00 0.00 33.01 31.94 3min s GLN 252 CO -0.06 -0.59 0.82 -1.58 -0.55 0.00 0.00 175.29 173.34 3min s TRP 253 N 1.66 2.85 0.00 1.67 0.52 0.32 -4.17 118.94 121.78 3min s TRP 253 Ca -0.02 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.42 3min s TRP 253 Cb -0.17 -4.08 0.00 0.00 -1.15 0.00 0.00 33.47 28.07 3min s TRP 253 CO -0.07 -1.42 0.00 0.43 0.02 0.00 0.00 176.95 175.91 3min n SER 254 N 6.97 0.00 -4.65 2.95 7.64 -1.26 -3.04 113.62 122.24 3min n SER 254 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.40 3min n SER 254 Cb 0.44 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 3min n SER 254 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3min s GLY 255 N 0.00 1.37 -1.98 0.23 0.00 -1.00 -0.74 107.32 105.20 3min s GLY 255 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.64 3min s GLY 255 CO 0.00 3.20 0.00 1.34 0.00 0.00 0.00 173.10 177.64 3min n ASP 256 N 7.86 -5.59 -4.82 1.64 2.03 -1.11 -4.71 116.55 111.85 3min n ASP 256 Ca 0.19 0.27 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 3min n ASP 256 Cb 0.43 -4.81 -0.06 0.00 -0.72 0.00 0.00 41.12 35.95 3min n ASP 256 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3min s GLY 257 N -2.42 2.53 0.27 0.27 0.00 0.08 -4.84 107.32 103.20 3min s GLY 257 Ca 0.00 0.30 0.10 0.00 0.00 0.00 0.00 44.72 45.11 3min s GLY 257 CO 0.00 0.62 -0.00 -1.35 0.00 0.00 0.00 173.10 172.36 3min s SER 258 N -1.95 4.50 0.27 1.64 1.04 -1.26 -0.69 113.70 117.25 3min s SER 258 Ca 0.53 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 56.30 3min s SER 258 Cb -0.13 -0.80 0.38 0.00 0.10 0.00 0.00 66.02 65.57 3min s SER 258 CO 0.18 -0.02 1.70 -0.29 0.98 0.00 0.00 173.24 175.79 3min h ILE 259 N 1.88 1.28 -0.69 -1.02 2.10 -1.93 -2.95 117.51 116.17 3min h ILE 259 Ca -0.44 -1.34 -0.05 0.00 1.08 0.00 0.00 64.86 64.11 3min h ILE 259 Cb 1.25 1.42 -0.03 0.00 -1.09 0.00 0.00 36.82 38.37 3min h ILE 259 CO 0.61 0.42 0.23 0.77 -1.08 0.00 0.00 178.15 179.11 3min h SER 260 N 0.41 0.98 -0.82 2.19 4.64 -1.96 -0.87 113.55 118.12 3min h SER 260 Ca 0.05 -0.20 0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3min h SER 260 Cb 0.72 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.48 3min h SER 260 CO 0.06 0.91 0.46 -0.33 -0.87 0.00 0.00 176.83 177.06 3min h GLU 261 N 0.99 0.73 0.10 4.77 5.08 -1.83 0.15 114.58 124.57 3min h GLU 261 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3min h GLU 261 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3min h GLU 261 CO -0.01 0.48 -0.05 0.82 -1.00 0.00 0.00 179.01 179.26 3min h ILE 262 N 0.75 1.07 -0.02 3.13 2.04 -1.28 -1.41 117.51 121.79 3min h ILE 262 Ca 0.40 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3min h ILE 262 Cb 0.41 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3min h ILE 262 CO -0.27 0.16 0.04 -0.33 0.00 0.00 0.00 178.15 177.75 3min h GLU 263 N -0.42 0.00 0.00 2.37 5.08 -0.54 -0.71 114.58 120.36 3min h GLU 263 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3min h GLU 263 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3min h GLU 263 CO 0.02 0.00 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.15 3min h LEU 264 N 0.00 0.00 -1.44 1.33 3.38 -0.50 -3.40 115.31 114.68 3min h LEU 264 Ca 0.01 -0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.07 3min h LEU 264 Cb 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3min h LEU 264 CO -0.00 0.05 0.58 0.74 0.09 0.00 0.00 178.44 179.89 3min h THR 265 N 0.00 0.74 0.00 0.22 2.02 0.01 -1.31 112.91 114.59 3min h THR 265 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3min h THR 265 Cb 0.90 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3min h THR 265 CO 0.00 0.09 0.31 -2.65 0.37 0.00 0.00 175.52 173.64 3min n PRO 266 N -4.53 0.04 0.00 6.66 -0.02 -1.26 -2.16 135.00 133.73 3min n PRO 266 Ca 0.18 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3min n PRO 266 Cb 0.61 -1.94 0.24 0.00 -0.02 0.00 0.00 33.50 32.39 3min n PRO 266 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3min n LYS 267 N -1.64 1.63 -2.09 -0.52 4.76 -0.49 -4.99 118.16 114.81 3min n LYS 267 Ca -0.00 -1.20 -0.28 0.00 -2.87 0.00 0.00 58.31 53.96 3min n LYS 267 Cb 0.32 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 32.09 3min n LYS 267 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3min s VAL 268 N -2.20 3.00 -0.10 -0.18 -7.23 -0.92 -4.92 120.40 107.86 3min s VAL 268 Ca 0.28 0.11 0.15 0.00 -1.81 0.00 0.00 61.98 60.71 3min s VAL 268 Cb 0.20 -3.28 -0.14 0.00 0.56 0.00 0.00 36.38 33.72 3min s VAL 268 CO 0.41 -0.34 0.89 0.11 -0.31 0.00 0.00 175.10 175.86 3min h LYS 269 N -0.59 0.00 -2.41 4.82 1.79 -1.08 -3.46 116.57 115.64 3min h LYS 269 Ca -0.45 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.94 3min h LYS 269 Cb 1.28 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.70 3min h LYS 269 CO 0.63 0.39 -0.08 -1.17 -1.08 0.00 0.00 179.45 178.14 3min s LEU 270 N -5.97 -0.13 -0.28 2.94 2.96 -1.15 -4.40 118.68 112.66 3min s LEU 270 Ca -0.02 1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 54.90 3min s LEU 270 Cb 0.08 1.88 -0.04 0.00 0.50 0.00 0.00 46.19 48.62 3min s LEU 270 CO 0.81 -0.19 0.15 0.20 -1.32 0.00 0.00 176.35 176.00 3min s ASN 271 N 0.39 5.70 -0.43 3.68 0.02 -0.31 -2.11 114.94 121.88 3min s ASN 271 Ca -0.01 -0.17 -0.17 0.00 -1.02 0.00 0.00 52.86 51.49 3min s ASN 271 Cb -0.04 -2.05 0.03 0.00 0.02 0.00 0.00 41.25 39.21 3min s ASN 271 CO -0.01 -0.08 0.45 -0.76 0.02 0.00 0.00 177.10 176.72 3min s LEU 272 N 1.70 4.93 -0.35 0.60 1.43 -0.59 -1.38 118.68 125.02 3min s LEU 272 Ca 0.06 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 3min s LEU 272 Cb -0.16 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 3min s LEU 272 CO 0.08 -0.61 0.36 -0.69 0.23 0.00 0.00 176.35 175.72 3min s VAL 273 N 2.13 5.17 -0.05 -1.59 1.01 0.29 -0.52 120.40 126.85 3min s VAL 273 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 3min s VAL 273 Cb -0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3min s VAL 273 CO 0.13 -0.11 -0.06 -0.74 0.00 0.00 0.00 175.10 174.32 3min h HIS 274 N 8.48 0.00 -2.28 5.22 2.76 -1.42 -1.88 115.15 126.03 3min h HIS 274 Ca -0.30 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.26 3min h HIS 274 Cb 1.14 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.98 3min h HIS 274 CO 0.68 0.00 0.88 0.00 -1.30 0.00 0.00 177.93 178.20 3min h TYR 276 N 9.60 -0.74 -0.36 0.00 3.20 -1.91 -2.80 116.97 123.96 3min h TYR 276 Ca -0.13 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.80 3min h TYR 276 Cb 1.05 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 39.48 3min h TYR 276 CO 1.10 -0.44 -0.26 -0.09 -1.64 0.00 0.00 178.16 176.83 3min h ARG 277 N -0.86 -0.21 0.00 1.82 9.65 -1.90 0.62 114.38 123.51 3min h ARG 277 Ca -0.08 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 3min h ARG 277 Cb 0.64 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 3min h ARG 277 CO 0.13 -0.14 -0.30 0.66 2.80 0.00 0.00 179.97 183.13 3min h SER 278 N -0.21 0.00 0.00 -3.80 4.64 -1.92 -3.38 113.55 108.87 3min h SER 278 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3min h SER 278 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3min h SER 278 CO -0.48 0.30 -0.03 0.23 -0.87 0.00 0.00 176.83 175.98 3min n MET 279 N -3.30 1.34 0.27 4.77 2.81 -1.06 -4.69 117.12 117.27 3min n MET 279 Ca 0.01 -1.06 0.12 0.00 -1.81 0.00 0.00 57.70 54.96 3min n MET 279 Cb 0.55 -0.77 0.76 0.00 -0.71 0.00 0.00 33.22 33.06 3min n MET 279 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 3min h ASN 280 N 0.00 0.00 -0.20 7.83 7.08 -1.06 -2.71 115.58 126.51 3min h ASN 280 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 3min h ASN 280 Cb 0.81 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.04 3min h ASN 280 CO 0.00 0.05 0.10 1.88 -2.08 0.00 0.00 177.43 177.38 3min h TYR 281 N 0.00 0.29 -0.04 4.14 0.05 -1.86 -0.99 116.97 118.56 3min h TYR 281 Ca -0.00 -0.01 -0.22 0.00 0.05 0.00 0.00 58.73 58.55 3min h TYR 281 Cb 0.11 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3min h TYR 281 CO 0.00 0.29 -0.88 0.97 -1.05 0.00 0.00 178.16 177.49 3min h ILE 282 N 0.20 1.37 -0.26 -2.88 6.09 -1.85 -2.67 117.51 117.50 3min h ILE 282 Ca 0.07 -2.30 0.05 0.00 -1.37 0.00 0.00 64.86 61.31 3min h ILE 282 Cb 0.11 2.29 -0.04 0.00 0.47 0.00 0.00 36.82 39.64 3min h ILE 282 CO -0.01 0.69 -0.02 0.28 -3.07 0.00 0.00 178.15 176.03 3min h SER 283 N 0.29 -0.14 -0.98 2.19 0.02 -1.31 -0.40 113.55 113.24 3min h SER 283 Ca -0.07 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3min h SER 283 Cb 1.50 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 64.08 3min h SER 283 CO 0.16 -0.04 0.61 0.03 -1.14 0.00 0.00 176.83 176.45 3min h ARG 284 N 0.06 0.99 -0.36 3.45 3.08 -1.17 -1.18 114.38 119.25 3min h ARG 284 Ca 0.12 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3min h ARG 284 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3min h ARG 284 CO -0.22 0.66 0.00 1.25 -1.07 0.00 0.00 179.97 180.59 3min h HIS 285 N 1.02 0.70 0.00 3.04 2.76 -1.05 -0.98 115.15 120.63 3min h HIS 285 Ca 0.46 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.45 3min h HIS 285 Cb 0.37 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3min h HIS 285 CO -0.01 0.74 -0.28 0.52 -1.30 0.00 0.00 177.93 177.60 3min h MET 286 N 0.46 0.00 0.29 5.26 2.86 -0.34 -0.69 114.93 122.77 3min h MET 286 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3min h MET 286 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3min h MET 286 CO 0.02 0.28 -0.14 1.49 1.06 0.00 0.00 176.91 179.62 3min h GLU 287 N 0.00 -0.37 -0.28 1.72 4.57 -1.13 -0.25 114.58 118.83 3min h GLU 287 Ca -0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3min h GLU 287 Cb 0.69 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3min h GLU 287 CO 0.04 -0.07 0.13 0.93 -1.18 0.00 0.00 179.01 178.86 3min h GLU 288 N -0.68 0.41 0.00 1.92 4.39 -0.88 -1.47 114.58 118.26 3min h GLU 288 Ca -0.04 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3min h GLU 288 Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3min h GLU 288 CO 0.06 0.40 -0.40 -0.22 -1.16 0.00 0.00 179.01 177.70 3min h LYS 289 N 0.32 0.00 -0.03 2.33 3.64 -1.22 -3.39 116.57 118.22 3min h LYS 289 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3min h LYS 289 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3min h LYS 289 CO -0.01 0.98 -0.07 0.66 -2.27 0.00 0.00 179.45 178.73 3min n TYR 290 N -4.56 0.00 -0.96 1.91 4.01 -0.16 -4.95 117.16 112.45 3min n TYR 290 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3min n TYR 290 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3min n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3min n GLY 291 N 1.30 0.66 3.68 2.72 0.00 -0.55 -4.97 105.19 108.03 3min n GLY 291 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3min n GLY 291 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3min s ILE 292 N -2.78 3.91 0.52 -0.61 1.01 -0.98 -4.86 121.20 117.41 3min s ILE 292 Ca 0.00 1.24 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 3min s ILE 292 Cb 0.00 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 3min s ILE 292 CO 0.00 -0.02 1.03 -2.16 0.00 0.00 0.00 174.94 173.79 3min s PRO 293 N 2.59 3.69 0.13 2.79 0.04 -1.26 -3.24 135.00 139.74 3min s PRO 293 Ca 0.61 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.96 3min s PRO 293 Cb -0.29 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3min s PRO 293 CO 0.24 -0.51 -0.18 1.67 0.04 0.00 0.00 177.00 178.26 3min s TRP 294 N -2.25 1.69 0.01 0.56 1.48 -1.26 -1.16 118.94 118.00 3min s TRP 294 Ca 0.64 -0.47 -0.03 0.00 -1.06 0.00 0.00 56.10 55.18 3min s TRP 294 Cb -0.15 -0.88 -0.01 0.00 -1.16 0.00 0.00 33.47 31.27 3min s TRP 294 CO 0.27 0.23 0.05 0.00 -4.06 0.00 0.00 176.95 173.44 3min s MET 295 N -2.39 0.36 0.24 3.25 0.23 -0.48 -4.95 119.30 115.56 3min s MET 295 Ca 0.10 -0.44 -0.13 0.00 -1.03 0.00 0.00 55.69 54.18 3min s MET 295 Cb -0.07 0.14 -0.08 0.00 -1.53 0.00 0.00 34.83 33.29 3min s MET 295 CO 0.05 -0.07 0.62 -1.21 -2.03 0.00 0.00 175.02 172.38 3min s GLU 296 N -1.26 3.95 0.19 3.16 2.02 -1.26 -0.54 118.70 124.95 3min s GLU 296 Ca -0.14 0.50 -0.09 0.00 0.02 0.00 0.00 54.97 55.26 3min s GLU 296 Cb -0.08 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 3min s GLU 296 CO 0.00 0.31 0.32 1.52 0.02 0.00 0.00 175.26 177.43 3min s TYR 297 N -1.76 0.48 -0.05 1.61 1.13 -0.71 -4.88 117.35 113.18 3min s TYR 297 Ca 0.47 -0.83 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 3min s TYR 297 Cb -0.12 -0.06 0.02 0.00 -1.10 0.00 0.00 41.96 40.70 3min s TYR 297 CO 0.20 -0.78 -0.05 1.21 -2.51 0.00 0.00 175.55 173.61 3min s ASN 298 N -3.00 1.02 -0.25 -0.18 3.84 -1.26 -4.59 114.94 110.51 3min s ASN 298 Ca 0.21 -0.15 0.13 0.00 0.21 0.00 0.00 52.86 53.26 3min s ASN 298 Cb 0.03 -0.49 0.46 0.00 -0.55 0.00 0.00 41.25 40.70 3min s ASN 298 CO 0.04 -0.04 1.17 0.49 -2.79 0.00 0.00 177.10 175.97 3min n PHE 299 N 4.00 1.74 -3.80 0.43 3.01 -1.26 -3.19 117.46 118.39 3min n PHE 299 Ca -0.25 -1.95 -0.37 0.00 1.01 0.00 0.00 57.45 55.89 3min n PHE 299 Cb 0.51 -0.29 -0.13 0.00 -0.01 0.00 0.00 39.48 39.57 3min n PHE 299 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3min s PHE 300 N -3.32 3.30 0.00 1.38 0.08 -1.26 -1.13 117.98 117.02 3min s PHE 300 Ca 0.42 -1.68 0.00 0.00 0.12 0.00 0.00 56.93 55.79 3min s PHE 300 Cb 0.38 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 3min s PHE 300 CO -0.01 -0.79 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 3min n GLY 301 N 4.73 -0.09 0.21 4.36 0.00 -1.26 -3.68 105.19 109.46 3min n GLY 301 Ca -0.12 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 3min n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3min h PRO 302 N 0.00 -0.34 -0.34 1.61 0.13 -1.91 -1.39 132.00 129.75 3min h PRO 302 Ca 0.00 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.23 3min h PRO 302 Cb 0.00 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.13 3min h PRO 302 CO 0.00 -0.23 -0.25 1.15 -0.23 0.00 0.00 178.00 178.44 3min h THR 303 N -0.36 0.35 -0.42 1.56 2.02 -1.91 0.12 112.91 114.28 3min h THR 303 Ca 0.01 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3min h THR 303 Cb 0.35 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3min h THR 303 CO -0.06 0.00 -0.30 0.11 0.37 0.00 0.00 175.52 175.65 3min h LYS 304 N -0.21 0.94 -0.83 6.66 1.79 -1.74 -1.87 116.57 121.31 3min h LYS 304 Ca 0.17 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 3min h LYS 304 Cb 0.48 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 3min h LYS 304 CO -0.46 1.11 0.43 1.15 -1.08 0.00 0.00 179.45 180.61 3min h THR 305 N 0.78 1.25 0.22 -0.16 2.02 -0.65 -0.42 112.91 115.95 3min h THR 305 Ca 0.08 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3min h THR 305 Cb 0.88 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3min h THR 305 CO 0.08 0.29 -0.11 0.40 0.37 0.00 0.00 175.52 176.55 3min h ILE 306 N 1.17 0.85 -0.03 3.11 2.04 -0.54 -0.45 117.51 123.67 3min h ILE 306 Ca 0.29 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3min h ILE 306 Cb 0.07 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3min h ILE 306 CO -0.04 0.12 -0.22 1.05 0.00 0.00 0.00 178.15 179.06 3min h GLU 307 N -0.57 0.04 -0.30 2.37 4.11 -1.19 -1.18 114.58 117.86 3min h GLU 307 Ca -0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 3min h GLU 307 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3min h GLU 307 CO 0.05 0.26 -0.08 0.77 0.07 0.00 0.00 179.01 180.08 3min h SER 308 N 0.04 0.58 -0.77 3.06 0.02 -0.82 0.11 113.55 115.77 3min h SER 308 Ca 0.01 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3min h SER 308 Cb 0.41 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3min h SER 308 CO 0.03 0.82 0.50 -0.07 -1.14 0.00 0.00 176.83 176.97 3min h LEU 309 N 0.34 0.86 -0.07 5.07 3.38 -0.66 0.09 115.31 124.33 3min h LEU 309 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3min h LEU 309 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3min h LEU 309 CO 0.03 0.62 -0.04 -0.09 0.09 0.00 0.00 178.44 179.05 3min h ARG 310 N 1.02 -0.04 -0.48 1.13 9.65 -1.08 0.05 114.38 124.63 3min h ARG 310 Ca 0.29 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.07 3min h ARG 310 Cb -0.09 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 3min h ARG 310 CO -0.07 -0.03 -0.09 0.00 2.80 0.00 0.00 179.97 182.58 3min h ALA 311 N 1.02 0.93 -0.32 2.80 0.00 -0.50 -1.23 119.26 121.96 3min h ALA 311 Ca 0.04 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3min h ALA 311 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3min h ALA 311 CO -0.09 0.63 -0.33 0.82 0.00 0.00 0.00 179.25 180.27 3min h ILE 312 N 0.79 1.29 -0.63 0.00 2.04 -0.87 -3.19 117.51 116.93 3min h ILE 312 Ca 0.13 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 3min h ILE 312 Cb 0.60 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3min h ILE 312 CO 0.04 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.96 3min h ALA 313 N 0.73 0.81 -0.01 1.87 0.00 -0.72 -1.95 119.26 119.99 3min h ALA 313 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3min h ALA 313 Cb 0.91 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3min h ALA 313 CO 0.08 0.40 0.14 0.00 0.00 0.00 0.00 179.25 179.87 3min h ALA 314 N 1.12 1.18 0.00 0.00 0.00 -1.22 0.14 119.26 120.48 3min h ALA 314 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3min h ALA 314 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3min h ALA 314 CO -0.02 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.71 3min n LYS 315 N -3.06 0.95 0.00 0.00 4.01 -0.73 -4.88 118.16 114.45 3min n LYS 315 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3min n LYS 315 Cb 0.20 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 3min n LYS 315 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3min n PHE 316 N -0.95 0.00 -4.07 2.13 3.01 0.04 -5.13 117.46 112.49 3min n PHE 316 Ca 0.20 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.38 3min n PHE 316 Cb 0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 3min n PHE 316 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3min s ASP 317 N 1.00 5.53 0.00 4.37 1.47 -1.26 -4.91 116.67 122.87 3min s ASP 317 Ca 0.00 -0.07 0.00 0.00 1.18 0.00 0.00 52.55 53.66 3min s ASP 317 Cb 0.00 -1.47 0.00 0.00 -0.34 0.00 0.00 42.92 41.11 3min s ASP 317 CO 0.00 0.12 0.00 -0.62 0.68 0.00 0.00 175.17 175.35 3min n GLU 318 N 0.01 0.00 0.06 2.11 -0.58 -1.26 -0.40 120.64 120.58 3min n GLU 318 Ca -0.08 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 3min n GLU 318 Cb 0.53 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.32 3min n GLU 318 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3min h SER 319 N 0.00 -0.08 -0.53 1.62 4.64 -1.98 -2.46 113.55 114.76 3min h SER 319 Ca 0.00 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3min h SER 319 Cb 0.00 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3min h SER 319 CO 0.00 0.08 0.20 0.40 -0.87 0.00 0.00 176.83 176.65 3min h ILE 320 N -0.23 1.21 -0.71 0.95 1.08 -1.05 0.80 117.51 119.57 3min h ILE 320 Ca -0.01 -0.70 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 3min h ILE 320 Cb 0.20 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3min h ILE 320 CO 0.02 0.27 0.40 1.56 -0.69 0.00 0.00 178.15 179.71 3min h GLN 321 N 0.83 0.97 0.04 2.37 7.50 -1.60 -0.61 115.11 124.61 3min h GLN 321 Ca 0.19 -0.10 -0.25 0.00 0.50 0.00 0.00 58.65 59.00 3min h GLN 321 Cb 0.20 -0.20 0.02 0.00 0.05 0.00 0.00 27.48 27.55 3min h GLN 321 CO -0.01 0.70 -0.98 0.87 -1.50 0.00 0.00 178.83 177.90 3min h LYS 322 N 0.99 0.60 -0.83 1.46 6.56 -0.54 -2.31 116.57 122.49 3min h LYS 322 Ca 0.25 -0.70 0.01 0.00 -1.06 0.00 0.00 60.65 59.16 3min h LYS 322 Cb -0.00 0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 31.83 3min h LYS 322 CO -0.04 1.29 0.55 0.87 -2.06 0.00 0.00 179.45 180.06 3min h LYS 323 N 0.21 1.08 -0.05 3.15 1.57 -0.83 -0.93 116.57 120.77 3min h LYS 323 Ca -0.13 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3min h LYS 323 Cb 1.67 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 33.69 3min h LYS 323 CO 0.19 0.72 -0.17 0.00 -0.57 0.00 0.00 179.45 179.62 3min h GLU 325 N -0.25 0.26 0.24 0.00 4.39 -0.74 -1.10 114.58 117.38 3min h GLU 325 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3min h GLU 325 Cb 0.35 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3min h GLU 325 CO -0.20 0.25 -0.11 0.93 -1.16 0.00 0.00 179.01 178.71 3min h GLU 326 N 0.27 -0.31 -0.49 2.33 5.08 -0.63 -1.78 114.58 119.05 3min h GLU 326 Ca 0.07 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3min h GLU 326 Cb 0.10 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 3min h GLU 326 CO -0.00 0.01 -0.04 0.28 -1.00 0.00 0.00 179.01 178.26 3min h VAL 327 N -0.64 0.58 -0.73 3.13 2.07 -0.66 0.89 116.25 120.90 3min h VAL 327 Ca -0.03 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3min h VAL 327 Cb 0.46 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3min h VAL 327 CO 0.05 0.01 0.48 0.40 0.02 0.00 0.00 177.57 178.54 3min h ILE 328 N 0.08 1.16 -0.36 4.57 2.04 -1.21 -2.13 117.51 121.66 3min h ILE 328 Ca 0.24 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3min h ILE 328 Cb 0.37 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3min h ILE 328 CO -0.44 0.18 -0.16 0.00 0.00 0.00 0.00 178.15 177.73 3min h ALA 329 N 1.28 1.05 -0.30 1.87 0.00 -0.23 -1.98 119.26 120.94 3min h ALA 329 Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3min h ALA 329 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3min h ALA 329 CO -0.07 0.58 0.14 -0.22 0.00 0.00 0.00 179.25 179.68 3min h LYS 330 N 0.60 0.43 0.00 0.00 3.64 -0.25 -3.17 116.57 117.82 3min h LYS 330 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3min h LYS 330 Cb 0.61 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3min h LYS 330 CO 0.04 0.41 -0.26 1.88 -2.27 0.00 0.00 179.45 179.25 3min h TYR 331 N 0.35 0.00 -0.95 1.91 0.05 -1.39 -3.38 116.97 113.57 3min h TYR 331 Ca 0.10 0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.03 3min h TYR 331 Cb 0.12 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.70 3min h TYR 331 CO -0.02 0.00 -0.37 0.87 -1.05 0.00 0.00 178.16 177.59 3min h LYS 332 N 0.00 -0.02 -0.91 4.88 1.79 -1.33 -0.29 116.57 120.69 3min h LYS 332 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3min h LYS 332 Cb 0.94 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.55 3min h LYS 332 CO 0.00 -0.01 0.56 -1.00 -1.08 0.00 0.00 179.45 177.91 3min h PRO 333 N -0.02 1.23 0.42 3.15 0.13 -1.78 -1.72 132.00 133.41 3min h PRO 333 Ca 0.34 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.35 3min h PRO 333 Cb 0.60 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.47 3min h PRO 333 CO -0.95 0.85 -0.20 0.93 -0.23 0.00 0.00 178.00 178.39 3min h GLU 334 N 1.25 -0.55 0.00 0.86 5.08 -1.37 -0.29 114.58 119.57 3min h GLU 334 Ca 0.33 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 3min h GLU 334 Cb -0.07 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3min h GLU 334 CO -0.06 -0.24 -0.35 0.11 -1.00 0.00 0.00 179.01 177.47 3min h TRP 335 N -0.92 0.00 -0.14 4.33 5.08 -1.12 -2.10 115.95 121.07 3min h TRP 335 Ca -0.06 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.78 3min h TRP 335 Cb 0.56 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 3min h TRP 335 CO 0.02 0.35 -0.48 0.93 -1.28 0.00 0.00 178.44 177.97 3min h GLU 336 N 0.00 0.37 -0.46 0.12 5.08 -1.24 -0.93 114.58 117.52 3min h GLU 336 Ca -0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 3min h GLU 336 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3min h GLU 336 CO 0.05 0.77 -0.16 0.00 -1.00 0.00 0.00 179.01 178.67 3min h ALA 337 N 1.20 0.85 0.33 3.43 0.00 -0.54 -0.52 119.26 124.00 3min h ALA 337 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3min h ALA 337 Cb 0.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3min h ALA 337 CO 0.08 0.64 -0.26 0.28 0.00 0.00 0.00 179.25 180.00 3min h VAL 338 N 0.78 0.46 -0.44 0.00 2.07 -0.99 -0.29 116.25 117.84 3min h VAL 338 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 3min h VAL 338 Cb 0.69 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3min h VAL 338 CO 0.05 0.00 0.05 1.62 0.02 0.00 0.00 177.57 179.31 3min h VAL 339 N -0.59 1.22 -0.81 2.57 3.04 -1.07 -0.65 116.25 119.96 3min h VAL 339 Ca -0.02 -0.83 -0.02 0.00 -1.01 0.00 0.00 66.70 64.81 3min h VAL 339 Cb 0.52 0.83 -0.04 0.00 -2.01 0.00 0.00 31.29 30.59 3min h VAL 339 CO -0.01 0.30 0.41 0.00 -1.01 0.00 0.00 177.57 177.26 3min h ALA 340 N 1.40 1.05 -0.06 3.17 0.00 -0.62 0.26 119.26 124.46 3min h ALA 340 Ca 0.14 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3min h ALA 340 Cb 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3min h ALA 340 CO 0.01 0.59 -0.66 -0.22 0.00 0.00 0.00 179.25 178.97 3min h LYS 341 N 1.15 0.55 0.00 0.00 3.64 -0.60 -3.41 116.57 117.89 3min h LYS 341 Ca 0.28 -0.51 -0.29 0.00 -1.27 0.00 0.00 60.65 58.86 3min h LYS 341 Cb 0.09 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3min h LYS 341 CO -0.04 1.14 -2.21 0.66 -2.27 0.00 0.00 179.45 176.73 3min n TYR 342 N -4.13 0.00 -0.12 1.91 4.01 -0.29 -4.44 117.16 114.09 3min n TYR 342 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 3min n TYR 342 Cb 0.69 -0.84 -0.01 0.00 -0.31 0.00 0.00 39.34 38.87 3min n TYR 342 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3min h ARG 343 N 0.00 0.52 0.00 -0.72 2.43 -0.69 0.03 114.38 115.96 3min h ARG 343 Ca -0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3min h ARG 343 Cb 1.95 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3min h ARG 343 CO 0.02 0.43 0.25 -1.00 -1.51 0.00 0.00 179.97 178.16 3min h PRO 344 N 0.48 0.00 0.00 0.20 0.13 -1.79 0.12 132.00 131.13 3min h PRO 344 Ca 0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.10 3min h PRO 344 Cb 0.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 3min h PRO 344 CO -0.02 0.00 -1.30 0.00 -0.23 0.00 0.00 178.00 176.45 3min h ARG 345 N 0.00 0.00 -0.00 0.86 3.08 -1.23 -3.39 114.38 113.69 3min h ARG 345 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3min h ARG 345 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3min h ARG 345 CO 0.00 0.33 -0.41 1.28 -1.07 0.00 0.00 179.97 180.10 3min n LEU 346 N -2.94 0.78 -4.61 3.04 4.77 0.18 -5.00 117.00 113.23 3min n LEU 346 Ca -0.08 -0.59 -0.55 0.00 -0.03 0.00 0.00 56.01 54.75 3min n LEU 346 Cb 0.83 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 3min n LEU 346 CO 0.43 0.17 0.95 1.21 -1.33 0.00 0.00 177.39 178.82 3min n GLU 347 N -0.89 0.91 -0.79 3.23 4.07 0.10 -1.95 120.64 125.31 3min n GLU 347 Ca 0.03 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 3min n GLU 347 Cb 0.19 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 3min n GLU 347 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3min n GLY 348 N 2.77 0.87 3.77 8.31 0.00 0.37 -4.96 105.19 116.33 3min n GLY 348 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3min n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3min s LYS 349 N -0.24 4.24 -0.12 1.61 -0.14 -0.82 -4.79 119.74 119.47 3min s LYS 349 Ca 0.00 1.64 -0.02 0.00 -1.36 0.00 0.00 55.97 56.23 3min s LYS 349 Cb 0.00 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 3min s LYS 349 CO 0.00 -0.11 -0.05 1.03 -0.76 0.00 0.00 175.35 175.47 3min s ARG 350 N -2.23 3.33 -0.03 1.68 0.52 -1.26 -1.39 118.95 119.57 3min s ARG 350 Ca 0.55 -0.52 0.08 0.00 -0.52 0.00 0.00 55.73 55.31 3min s ARG 350 Cb -0.26 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 3min s ARG 350 CO 0.33 0.41 -0.26 0.08 0.02 0.00 0.00 175.30 175.88 3min s VAL 351 N -0.11 2.06 -0.09 3.52 1.01 0.48 -0.81 120.40 126.46 3min s VAL 351 Ca 0.02 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.92 3min s VAL 351 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3min s VAL 351 CO 0.03 0.58 -0.14 -0.04 0.00 0.00 0.00 175.10 175.53 3min s MET 352 N -0.52 2.99 0.14 2.72 -1.94 -0.86 -0.76 119.30 121.07 3min s MET 352 Ca 0.07 -0.69 0.09 0.00 -1.71 0.00 0.00 55.69 53.45 3min s MET 352 Cb -0.11 -2.52 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 3min s MET 352 CO -0.00 0.40 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.68 3min s LEU 353 N -0.13 2.36 -0.25 -0.03 1.43 -0.84 -1.24 118.68 119.98 3min s LEU 353 Ca -0.01 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3min s LEU 353 Cb -0.14 -0.97 0.14 0.00 0.03 0.00 0.00 46.19 45.25 3min s LEU 353 CO 0.03 0.06 0.39 -0.47 0.23 0.00 0.00 176.35 176.59 3min s TYR 354 N -1.45 -0.86 0.00 0.29 5.04 -0.58 -2.83 117.35 116.96 3min s TYR 354 Ca 0.12 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 3min s TYR 354 Cb -0.09 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.25 3min s TYR 354 CO 0.06 -0.74 0.00 -0.89 -1.34 0.00 0.00 175.55 172.64 3min n ILE 355 N 5.37 0.00 0.00 3.14 5.41 -0.86 -4.21 119.36 128.20 3min n ILE 355 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3min n ILE 355 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 3min n ILE 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3min n GLY 356 N 1.19 0.32 0.00 7.39 0.00 -1.26 -1.33 105.19 111.51 3min n GLY 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3min n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3min n GLY 357 N 2.54 0.52 1.78 -0.02 0.00 -1.26 -1.91 105.19 106.84 3min n GLY 357 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3min n GLY 357 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3min n LEU 358 N -0.00 0.09 -0.04 0.99 7.94 -1.26 -4.57 117.00 120.15 3min n LEU 358 Ca 0.00 0.35 0.22 0.00 -1.11 0.00 0.00 56.01 55.47 3min n LEU 358 Cb 0.26 0.21 0.69 0.00 0.53 0.00 0.00 43.42 45.11 3min n LEU 358 CO 0.00 -0.74 1.20 0.03 -1.11 0.00 0.00 177.39 176.77 3min h ARG 359 N 0.00 0.01 -0.47 1.96 2.47 -1.95 -1.95 114.38 114.45 3min h ARG 359 Ca 0.00 -0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.86 3min h ARG 359 Cb 0.00 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3min h ARG 359 CO 0.00 0.01 0.49 -1.35 0.56 0.00 0.00 179.97 179.67 3min h PRO 360 N 0.01 0.00 0.00 0.04 0.11 -1.91 -2.11 132.00 128.13 3min h PRO 360 Ca 0.29 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.12 3min h PRO 360 Cb 1.15 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3min h PRO 360 CO -0.01 0.00 -2.06 2.89 -0.21 0.00 0.00 178.00 178.62 3min n ARG 361 N -3.73 0.57 0.29 1.05 1.85 -0.84 -4.74 116.66 111.12 3min n ARG 361 Ca 0.09 0.10 0.17 0.00 -1.00 0.00 0.00 57.85 57.21 3min n ARG 361 Cb 0.68 -1.37 0.83 0.00 -1.05 0.00 0.00 32.46 31.54 3min n ARG 361 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3min h HIS 362 N 0.00 0.00 -0.01 2.89 3.86 -0.85 -2.82 115.15 118.22 3min h HIS 362 Ca -0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3min h HIS 362 Cb 1.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.14 3min h HIS 362 CO 0.02 0.04 -0.44 1.33 0.86 0.00 0.00 177.93 179.74 3min n VAL 363 N -3.21 0.00 -0.29 2.45 0.24 -0.84 -4.47 118.33 112.20 3min n VAL 363 Ca -0.01 -0.18 0.05 0.00 -2.04 0.00 0.00 64.34 62.16 3min n VAL 363 Cb 0.24 0.89 0.20 0.00 -1.47 0.00 0.00 33.84 33.70 3min n VAL 363 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3min h ILE 364 N 1.72 0.79 -0.49 1.34 1.08 -1.76 -1.20 117.51 119.00 3min h ILE 364 Ca 0.00 -0.23 -0.06 0.00 -0.39 0.00 0.00 64.86 64.18 3min h ILE 364 Cb 0.64 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 3min h ILE 364 CO 0.00 0.12 0.05 1.23 -0.69 0.00 0.00 178.15 178.87 3min h GLY 365 N 0.67 0.84 1.11 5.37 0.00 -1.80 -1.33 103.07 107.93 3min h GLY 365 Ca 0.44 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 3min h GLY 365 CO -0.32 0.49 -0.05 0.00 0.00 0.00 0.00 176.54 176.66 3min h ALA 366 N 1.32 0.82 -0.55 3.60 0.00 -1.30 -1.51 119.26 121.63 3min h ALA 366 Ca 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3min h ALA 366 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3min h ALA 366 CO 0.01 0.67 0.17 1.88 0.00 0.00 0.00 179.25 181.98 3min h TYR 367 N 0.95 0.89 -0.04 0.00 0.05 -1.03 -2.67 116.97 115.12 3min h TYR 367 Ca 0.16 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 3min h TYR 367 Cb 0.61 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 3min h TYR 367 CO 0.04 0.75 -0.30 0.93 -1.05 0.00 0.00 178.16 178.54 3min h GLU 368 N 0.77 0.07 0.00 4.88 5.08 -1.05 -0.04 114.58 124.28 3min h GLU 368 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3min h GLU 368 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3min h GLU 368 CO -0.01 0.36 0.00 -0.25 -1.00 0.00 0.00 179.01 178.12 3min n ASP 369 N -4.16 0.62 -1.24 1.42 8.00 -0.59 -0.85 116.55 119.75 3min n ASP 369 Ca -0.02 0.70 0.07 0.00 0.71 0.00 0.00 54.79 56.25 3min n ASP 369 Cb 0.36 -0.81 0.30 0.00 -0.02 0.00 0.00 41.12 40.95 3min n ASP 369 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3min n LEU 370 N -2.23 4.54 -1.18 0.64 4.77 -0.14 -4.89 117.00 118.50 3min n LEU 370 Ca 0.01 -3.04 -0.15 0.00 -0.03 0.00 0.00 56.01 52.79 3min n LEU 370 Cb 0.16 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 3min n LEU 370 CO 0.16 0.69 -0.15 0.61 -1.33 0.00 0.00 177.39 177.38 3min n GLY 371 N -0.21 1.55 3.94 -0.72 0.00 -0.03 -3.66 105.19 106.05 3min n GLY 371 Ca 0.25 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3min n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3min s MET 372 N -3.28 3.39 0.04 1.61 -1.94 -0.55 -0.48 119.30 118.10 3min s MET 372 Ca 0.00 -0.68 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 3min s MET 372 Cb 0.00 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.90 3min s MET 372 CO 0.00 0.49 -0.22 -1.83 -0.01 0.00 0.00 175.02 173.44 3min s GLU 373 N -3.46 1.53 -0.40 2.03 -1.05 -0.48 -3.55 118.70 113.32 3min s GLU 373 Ca 0.34 -0.99 -0.17 0.00 -0.15 0.00 0.00 54.97 54.01 3min s GLU 373 Cb -0.10 -1.66 0.01 0.00 -0.44 0.00 0.00 34.13 31.94 3min s GLU 373 CO 0.28 0.43 0.40 0.08 0.95 0.00 0.00 175.26 177.40 3min s VAL 374 N -0.79 5.13 -0.94 1.83 1.01 -1.26 -0.39 120.40 124.99 3min s VAL 374 Ca 0.09 -0.28 0.24 0.00 0.00 0.00 0.00 61.98 62.03 3min s VAL 374 Cb -0.09 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3min s VAL 374 CO 0.02 -0.33 1.29 1.33 0.00 0.00 0.00 175.10 177.41 3min n VAL 375 N 5.36 0.04 -3.55 2.92 0.24 0.06 -4.69 118.33 118.71 3min n VAL 375 Ca -0.08 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.34 62.01 3min n VAL 375 Cb 0.48 0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 33.11 3min n VAL 375 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3min s GLY 376 N -3.11 -0.57 0.13 7.63 0.00 -1.24 -1.71 107.32 108.45 3min s GLY 376 Ca 0.09 1.53 -0.18 0.00 0.00 0.00 0.00 44.72 46.16 3min s GLY 376 CO 0.74 1.19 0.45 -1.08 0.00 0.00 0.00 173.10 174.40 3min s THR 377 N -0.74 0.05 0.03 0.90 -1.32 -0.44 -1.99 115.64 112.13 3min s THR 377 Ca -0.08 -0.43 -0.28 0.00 -1.21 0.00 0.00 61.69 59.69 3min s THR 377 Cb -0.01 -1.11 0.09 0.00 -1.51 0.00 0.00 72.50 69.96 3min s THR 377 CO 0.07 -0.23 1.02 -0.83 -2.21 0.00 0.00 174.62 172.44 3min s GLY 378 N -2.72 -0.35 0.06 6.08 0.00 -1.13 -2.47 107.32 106.80 3min s GLY 378 Ca 0.02 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.49 3min s GLY 378 CO -0.11 0.20 -0.16 -0.19 0.00 0.00 0.00 173.10 172.83 3min s TYR 379 N -2.98 1.40 0.00 1.90 1.51 -1.12 -2.04 117.35 116.01 3min s TYR 379 Ca 0.10 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.55 3min s TYR 379 Cb -0.00 -0.81 -0.20 0.00 -0.11 0.00 0.00 41.96 40.84 3min s TYR 379 CO -0.03 0.08 1.17 0.93 -1.11 0.00 0.00 175.55 176.59 3min h GLU 380 N 4.63 0.32 0.00 -0.62 5.08 -0.49 -0.58 114.58 122.91 3min h GLU 380 Ca -0.41 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 3min h GLU 380 Cb 1.18 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3min h GLU 380 CO 0.42 0.90 -0.08 1.97 -1.00 0.00 0.00 179.01 181.23 3min n PHE 381 N -4.44 0.00 -0.68 4.33 1.16 -1.04 -4.00 117.46 112.79 3min n PHE 381 Ca -0.08 -0.15 -0.31 0.00 -1.87 0.00 0.00 57.45 55.04 3min n PHE 381 Cb 0.50 -0.02 0.17 0.00 -1.61 0.00 0.00 39.48 38.51 3min n PHE 381 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3min n ALA 382 N -0.17 -1.66 -2.59 1.98 0.00 -1.24 -4.76 120.51 112.07 3min n ALA 382 Ca 0.01 -0.67 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 3min n ALA 382 Cb 0.49 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 3min n ALA 382 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3min s HIS 383 N -2.53 1.99 0.48 0.00 3.76 -1.26 -3.49 115.29 114.24 3min s HIS 383 Ca 0.64 -0.83 0.14 0.00 -0.15 0.00 0.00 55.06 54.86 3min s HIS 383 Cb -0.22 -1.77 1.13 0.00 1.11 0.00 0.00 32.58 32.83 3min s HIS 383 CO 0.62 0.06 2.09 -0.91 -0.85 0.00 0.00 174.74 175.74 3min h ASN 384 N 1.24 0.08 0.47 1.40 4.21 -1.94 0.52 115.58 121.56 3min h ASN 384 Ca -0.42 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.07 3min h ASN 384 Cb 1.29 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.47 3min h ASN 384 CO 0.70 0.11 -0.09 -2.24 -1.29 0.00 0.00 177.43 174.62 3min h ASP 385 N 0.09 0.00 -0.04 5.81 3.04 -1.99 -0.53 116.42 122.80 3min h ASP 385 Ca 0.02 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.57 3min h ASP 385 Cb 0.08 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.38 3min h ASP 385 CO 0.00 0.09 -0.94 0.44 -2.04 0.00 0.00 179.24 176.78 3min h ASP 386 N 0.00 0.90 0.02 4.15 3.32 -1.29 -2.87 116.42 120.64 3min h ASP 386 Ca -0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 57.03 56.25 3min h ASP 386 Cb 0.34 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3min h ASP 386 CO 0.01 1.49 -0.27 1.88 -1.72 0.00 0.00 179.24 180.62 3min h TYR 387 N 0.40 0.45 -0.49 4.55 0.05 -1.23 -0.23 116.97 120.47 3min h TYR 387 Ca -0.11 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.59 3min h TYR 387 Cb 1.60 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 39.20 3min h TYR 387 CO 0.10 0.64 0.31 -0.44 -1.05 0.00 0.00 178.16 177.72 3min h ASP 388 N 0.36 0.52 -0.42 3.88 3.32 -1.13 -1.01 116.42 121.93 3min h ASP 388 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3min h ASP 388 Cb 0.67 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3min h ASP 388 CO 0.05 0.37 0.17 0.03 -1.72 0.00 0.00 179.24 178.14 3min h ARG 389 N 0.63 0.68 -0.40 3.56 3.08 -1.25 -3.20 114.38 117.47 3min h ARG 389 Ca 0.19 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3min h ARG 389 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3min h ARG 389 CO -0.06 0.57 -0.14 1.15 -1.07 0.00 0.00 179.97 180.42 3min h THR 390 N 0.67 1.28 -0.41 2.04 2.02 0.19 -3.25 112.91 115.45 3min h THR 390 Ca 0.16 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 66.13 3min h THR 390 Cb 0.16 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3min h THR 390 CO -0.01 0.42 0.28 0.24 0.37 0.00 0.00 175.52 176.82 3min h MET 391 N 0.62 0.32 0.00 6.66 2.86 -1.26 0.92 114.93 125.04 3min h MET 391 Ca 0.10 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3min h MET 391 Cb 0.69 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3min h MET 391 CO 0.05 0.21 -0.02 0.87 1.06 0.00 0.00 176.91 179.08 3min h LYS 392 N 0.33 0.00 0.00 1.72 1.79 -1.67 -3.10 116.57 115.65 3min h LYS 392 Ca 0.18 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3min h LYS 392 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3min h LYS 392 CO -0.04 0.02 -2.02 0.39 -1.08 0.00 0.00 179.45 176.72 3min n GLU 393 N -3.66 0.66 -3.58 3.15 -0.58 0.30 -5.02 120.64 111.91 3min n GLU 393 Ca -0.03 -0.18 -0.20 0.00 -0.42 0.00 0.00 57.16 56.33 3min n GLU 393 Cb 0.11 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.46 3min n GLU 393 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3min s MET 394 N -3.41 3.21 0.68 3.49 -1.94 -1.10 -5.01 119.30 115.21 3min s MET 394 Ca -0.08 -0.92 -0.10 0.00 -1.71 0.00 0.00 55.69 52.88 3min s MET 394 Cb 0.13 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 34.15 3min s MET 394 CO 0.89 0.15 1.05 0.20 -0.01 0.00 0.00 175.02 177.30 3min s GLY 395 N -4.12 1.62 0.52 -0.03 0.00 -1.26 -5.00 107.32 99.04 3min s GLY 395 Ca 0.42 -0.41 -0.20 0.00 0.00 0.00 0.00 44.72 44.53 3min s GLY 395 CO 0.31 -0.06 1.11 -0.35 0.00 0.00 0.00 173.10 174.11 3min s ASP 396 N -4.34 5.93 -0.50 1.64 -1.08 -1.26 -2.86 116.67 114.20 3min s ASP 396 Ca 0.57 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.74 3min s ASP 396 Cb -0.11 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3min s ASP 396 CO 0.50 -1.07 0.00 -1.20 0.52 0.00 0.00 175.17 173.92 3min n SER 397 N -1.10 -4.98 -4.87 -0.34 7.64 -1.26 -4.96 113.62 103.75 3min n SER 397 Ca 0.10 0.12 -0.31 0.00 1.01 0.00 0.00 58.87 59.79 3min n SER 397 Cb 0.51 -2.90 -0.03 0.00 -1.01 0.00 0.00 64.21 60.78 3min n SER 397 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3min s THR 398 N -1.71 4.73 0.02 0.44 -4.23 -1.13 -4.58 115.64 109.18 3min s THR 398 Ca 0.00 0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 61.00 3min s THR 398 Cb 0.00 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 3min s THR 398 CO 0.00 -0.55 0.81 -0.22 -0.54 0.00 0.00 174.62 174.11 3min s LEU 399 N -3.89 4.42 -0.15 4.79 2.96 -0.69 -1.50 118.68 124.62 3min s LEU 399 Ca 0.53 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 3min s LEU 399 Cb -0.10 -3.29 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 3min s LEU 399 CO 0.31 -0.06 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.37 3min s LEU 400 N 0.29 2.52 -0.06 -0.68 1.02 -0.16 -1.33 118.68 120.29 3min s LEU 400 Ca 0.41 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 3min s LEU 400 Cb -0.20 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.47 3min s LEU 400 CO 0.24 0.10 0.04 -0.72 0.02 0.00 0.00 176.35 176.02 3min s TYR 401 N 0.72 0.34 -0.16 0.29 1.13 -1.03 -0.79 117.35 117.84 3min s TYR 401 Ca -0.07 0.03 -0.12 0.00 -1.41 0.00 0.00 57.07 55.50 3min s TYR 401 Cb -0.16 -0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 40.02 3min s TYR 401 CO 0.01 -0.27 0.25 0.34 -2.51 0.00 0.00 175.55 173.37 3min s ASP 402 N 2.08 6.39 -1.35 -0.18 2.15 0.03 -2.81 116.67 122.98 3min s ASP 402 Ca 0.05 0.45 -0.08 0.00 0.43 0.00 0.00 52.55 53.40 3min s ASP 402 Cb -0.12 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3min s ASP 402 CO -0.04 0.15 0.47 -0.67 -0.17 0.00 0.00 175.17 174.91 3min n ASP 403 N 3.37 -1.61 -4.74 -0.34 2.03 -0.23 -4.82 116.55 110.22 3min n ASP 403 Ca -0.14 -1.08 -0.40 0.00 0.52 0.00 0.00 54.79 53.69 3min n ASP 403 Cb 0.52 -2.78 0.02 0.00 -0.72 0.00 0.00 41.12 38.16 3min n ASP 403 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3min n VAL 404 N -4.45 2.75 -2.37 5.18 3.14 -1.26 -4.93 118.33 116.39 3min n VAL 404 Ca -0.25 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.35 3min n VAL 404 Cb 0.65 -1.73 0.01 0.00 -1.06 0.00 0.00 33.84 31.71 3min n VAL 404 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3min s THR 405 N -1.20 4.71 0.22 1.55 -4.23 -1.26 -4.32 115.64 111.11 3min s THR 405 Ca 0.62 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.44 3min s THR 405 Cb -0.47 -3.82 0.16 0.00 1.34 0.00 0.00 72.50 69.71 3min s THR 405 CO 0.57 -0.91 1.76 1.23 -0.54 0.00 0.00 174.62 176.73 3min h GLY 406 N 0.00 0.95 0.95 3.99 0.00 -1.54 -1.95 103.07 105.48 3min h GLY 406 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3min h GLY 406 CO 0.62 0.00 -0.02 -1.82 0.00 0.00 0.00 176.54 175.32 3min h TYR 407 N 0.48 -0.05 -0.24 5.60 3.20 -1.88 -2.01 116.97 122.07 3min h TYR 407 Ca 0.33 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3min h TYR 407 Cb 0.40 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3min h TYR 407 CO -0.14 -0.03 0.15 0.93 -1.64 0.00 0.00 178.16 177.42 3min h GLU 408 N -0.04 0.32 -0.11 1.82 5.08 -1.84 -1.37 114.58 118.44 3min h GLU 408 Ca 0.01 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3min h GLU 408 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3min h GLU 408 CO -0.02 0.25 -0.05 0.35 -1.00 0.00 0.00 179.01 178.54 3min h PHE 409 N 0.30 -0.11 -0.72 4.33 3.57 -1.31 0.52 116.94 123.52 3min h PHE 409 Ca 0.09 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.70 3min h PHE 409 Cb 0.01 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3min h PHE 409 CO -0.05 -0.08 0.33 1.49 -2.23 0.00 0.00 178.31 177.77 3min h GLU 410 N -0.04 0.52 -0.28 1.11 4.81 -1.13 -0.21 114.58 119.37 3min h GLU 410 Ca 0.06 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3min h GLU 410 Cb 0.13 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3min h GLU 410 CO -0.13 0.35 -0.18 0.93 -0.73 0.00 0.00 179.01 179.24 3min h GLU 411 N 0.54 0.62 -0.61 1.92 4.39 -0.58 -1.31 114.58 119.56 3min h GLU 411 Ca 0.37 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3min h GLU 411 Cb 0.45 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3min h GLU 411 CO -0.31 0.88 0.39 0.74 -1.16 0.00 0.00 179.01 179.55 3min h PHE 412 N 0.36 0.78 -0.50 4.33 0.04 -0.57 -1.73 116.94 119.64 3min h PHE 412 Ca 0.06 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3min h PHE 412 Cb 0.72 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 3min h PHE 412 CO 0.07 0.50 0.16 0.28 -0.60 0.00 0.00 178.31 178.72 3min h VAL 413 N 0.83 1.23 -0.50 -0.55 2.07 -0.93 -0.17 116.25 118.23 3min h VAL 413 Ca 0.22 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3min h VAL 413 Cb -0.07 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3min h VAL 413 CO -0.05 0.28 0.33 0.11 0.02 0.00 0.00 177.57 178.26 3min h LYS 414 N 0.68 0.62 0.06 1.57 1.57 -0.82 0.38 116.57 120.63 3min h LYS 414 Ca 0.16 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3min h LYS 414 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3min h LYS 414 CO -0.01 0.41 -0.03 0.00 -0.57 0.00 0.00 179.45 179.25 3min h ARG 415 N 0.64 -0.07 0.00 3.15 2.47 -0.88 -3.36 114.38 116.32 3min h ARG 415 Ca 0.19 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.85 3min h ARG 415 Cb -0.01 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3min h ARG 415 CO -0.04 0.36 -0.29 0.82 0.56 0.00 0.00 179.97 181.37 3min h ILE 416 N -0.97 0.69 -6.58 2.04 2.04 -1.02 -3.48 117.51 110.22 3min h ILE 416 Ca -0.01 -1.33 -0.52 0.00 1.00 0.00 0.00 64.86 64.01 3min h ILE 416 Cb 0.47 1.86 0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3min h ILE 416 CO 0.01 0.29 -0.98 0.29 0.00 0.00 0.00 178.15 177.76 3min n LYS 417 N -3.43 -0.72 -1.34 2.37 5.02 0.12 -4.94 118.16 115.23 3min n LYS 417 Ca 0.00 0.27 -0.34 0.00 -2.02 0.00 0.00 58.31 56.22 3min n LYS 417 Cb 0.48 -3.30 0.10 0.00 -0.02 0.00 0.00 35.03 32.28 3min n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3min s PRO 418 N -6.69 2.01 0.30 1.97 0.04 -1.26 -4.94 135.00 126.42 3min s PRO 418 Ca 0.48 1.72 0.20 0.00 0.04 0.00 0.00 61.00 63.45 3min s PRO 418 Cb -0.22 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.63 3min s PRO 418 CO 0.92 -1.93 1.33 -0.44 0.04 0.00 0.00 177.00 176.92 3min h ASP 419 N -0.50 0.00 -4.13 6.66 3.32 -1.33 -3.46 116.42 116.97 3min h ASP 419 Ca -0.47 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 3min h ASP 419 Cb 1.29 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 3min h ASP 419 CO 0.49 0.18 -0.35 -0.22 -1.72 0.00 0.00 179.24 177.61 3min s LEU 420 N -5.98 0.88 -0.02 1.55 2.96 -0.98 -4.12 118.68 112.98 3min s LEU 420 Ca 0.03 0.46 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 3min s LEU 420 Cb 0.07 1.06 -0.02 0.00 0.50 0.00 0.00 46.19 47.81 3min s LEU 420 CO 0.74 -0.19 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.73 3min s ILE 421 N -0.21 1.76 -0.18 6.68 1.01 -0.54 -2.04 121.20 127.68 3min s ILE 421 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3min s ILE 421 Cb -0.03 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 41.01 3min s ILE 421 CO 0.01 0.50 -0.11 -0.83 0.00 0.00 0.00 174.94 174.51 3min s GLY 422 N -0.49 1.17 0.00 6.18 0.00 -0.37 -1.50 107.32 112.31 3min s GLY 422 Ca 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3min s GLY 422 CO -0.01 0.68 0.00 -1.26 0.00 0.00 0.00 173.10 172.52 3min n SER 423 N 4.74 0.00 -2.62 1.64 2.88 -1.05 -1.53 113.62 117.68 3min n SER 423 Ca -0.15 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.35 3min n SER 423 Cb 0.48 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.95 3min n SER 423 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3min n GLY 424 N 0.00 2.11 0.18 0.46 0.00 -1.26 -0.37 105.19 106.31 3min n GLY 424 Ca 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.85 3min n GLY 424 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3min h ILE 425 N 0.10 1.32 0.00 -0.61 6.09 -2.00 -1.80 117.51 120.62 3min h ILE 425 Ca -0.06 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.87 3min h ILE 425 Cb 0.27 1.76 0.00 0.00 0.47 0.00 0.00 36.82 39.32 3min h ILE 425 CO 0.09 0.46 0.00 0.29 -3.07 0.00 0.00 178.15 175.92 3min n LYS 426 N -4.01 0.03 -0.07 2.19 5.02 -1.26 -3.11 118.16 116.96 3min n LYS 426 Ca -0.02 0.17 -0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3min n LYS 426 Cb 0.48 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 3min n LYS 426 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3min n GLU 427 N -1.61 1.29 -0.28 1.97 4.71 -0.80 -4.76 120.64 121.16 3min n GLU 427 Ca 0.05 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 3min n GLU 427 Cb 0.25 -1.40 -0.07 0.00 -1.01 0.00 0.00 31.44 29.21 3min n GLU 427 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3min h LYS 428 N 0.00 -0.17 0.00 3.49 3.64 -1.29 -2.66 116.57 119.58 3min h LYS 428 Ca -0.37 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3min h LYS 428 Cb 1.80 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 3min h LYS 428 CO 0.02 -0.11 0.00 0.74 -2.27 0.00 0.00 179.45 177.83 3min h PHE 429 N -0.18 0.00 0.22 1.91 0.04 -1.86 -2.28 116.94 114.80 3min h PHE 429 Ca 0.16 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3min h PHE 429 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3min h PHE 429 CO -0.85 0.00 -0.11 0.82 -0.60 0.00 0.00 178.31 177.58 3min h ILE 430 N 0.00 0.84 -0.02 -0.55 2.04 -1.78 -2.39 117.51 115.65 3min h ILE 430 Ca 0.00 -0.42 -0.19 0.00 1.00 0.00 0.00 64.86 65.25 3min h ILE 430 Cb 0.84 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3min h ILE 430 CO 0.00 0.09 -0.82 -0.26 0.00 0.00 0.00 178.15 177.17 3min h PHE 431 N -0.51 0.36 -0.53 1.37 0.04 -1.41 -2.72 116.94 113.55 3min h PHE 431 Ca -0.03 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3min h PHE 431 Cb 0.38 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3min h PHE 431 CO -0.00 0.96 0.30 1.96 -0.60 0.00 0.00 178.31 180.93 3min h GLN 432 N 0.15 0.72 0.00 1.51 4.20 -1.44 -0.86 115.11 119.40 3min h GLN 432 Ca -0.04 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 3min h GLN 432 Cb 1.42 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 3min h GLN 432 CO 0.13 0.52 -0.36 0.87 -0.67 0.00 0.00 178.83 179.32 3min h LYS 433 N 0.73 0.00 -0.00 1.46 1.57 -1.19 -2.14 116.57 117.00 3min h LYS 433 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3min h LYS 433 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3min h LYS 433 CO -0.03 0.36 -0.04 -1.33 -0.57 0.00 0.00 179.45 177.84 3min n MET 434 N -3.63 0.75 -0.53 3.15 2.81 -0.44 -4.92 117.12 114.32 3min n MET 434 Ca -0.01 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 3min n MET 434 Cb 0.47 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3min n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3min n GLY 435 N 1.20 0.73 3.64 3.03 0.00 -0.63 -5.04 105.19 108.11 3min n GLY 435 Ca 0.17 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3min n GLY 435 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3min s ILE 436 N -2.00 5.22 -0.29 -0.61 1.01 -0.55 -4.98 121.20 118.99 3min s ILE 436 Ca 0.00 0.56 -0.41 0.00 0.00 0.00 0.00 60.65 60.80 3min s ILE 436 Cb 0.00 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.61 3min s ILE 436 CO 0.00 0.23 1.30 -2.65 0.00 0.00 0.00 174.94 173.83 3min n PRO 437 N 4.75 0.00 -4.89 2.79 -0.02 -1.26 -3.67 135.00 132.70 3min n PRO 437 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.12 3min n PRO 437 Cb 0.51 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.45 3min n PRO 437 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3min s PHE 438 N 1.77 1.74 -0.05 6.00 2.19 -1.26 -1.47 117.98 126.89 3min s PHE 438 Ca 0.92 -0.43 0.04 0.00 0.33 0.00 0.00 56.93 57.79 3min s PHE 438 Cb -1.31 -1.15 -0.00 0.00 -1.31 0.00 0.00 43.02 39.25 3min s PHE 438 CO 0.67 -0.11 -0.17 1.03 1.83 0.00 0.00 175.22 178.47 3min s ARG 439 N -0.17 1.88 -0.18 10.12 1.81 -0.56 -4.98 118.95 126.86 3min s ARG 439 Ca 0.01 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.12 3min s ARG 439 Cb -0.10 -1.60 -0.01 0.00 -0.45 0.00 0.00 34.95 32.80 3min s ARG 439 CO 0.01 0.21 1.17 -1.21 -0.68 0.00 0.00 175.30 174.80 3min s GLU 440 N 0.16 4.25 -0.14 3.54 2.02 -1.26 -2.53 118.70 124.74 3min s GLU 440 Ca -0.07 1.54 0.17 0.00 0.02 0.00 0.00 54.97 56.63 3min s GLU 440 Cb -0.13 -3.70 0.71 0.00 0.10 0.00 0.00 34.13 31.10 3min s GLU 440 CO 0.03 -0.66 1.62 -1.33 0.02 0.00 0.00 175.26 174.94 3min n MET 441 N 6.41 3.87 -0.04 1.61 2.81 0.50 -2.60 117.12 129.68 3min n MET 441 Ca 0.13 -2.91 -0.06 0.00 -1.81 0.00 0.00 57.70 53.05 3min n MET 441 Cb 0.45 -1.94 -0.02 0.00 -0.71 0.00 0.00 33.22 31.01 3min n MET 441 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3min n HIS 442 N 0.84 0.00 1.34 2.03 8.25 -1.26 -4.72 115.22 121.71 3min n HIS 442 Ca 0.25 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 3min n HIS 442 Cb 0.93 -0.32 0.44 0.00 1.12 0.00 0.00 29.99 32.16 3min n HIS 442 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3min n SER 443 N -4.10 1.58 -2.09 0.41 3.41 -1.26 -4.92 113.62 106.65 3min n SER 443 Ca -0.10 -1.62 -0.21 0.00 -0.26 0.00 0.00 58.87 56.68 3min n SER 443 Cb 0.34 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 3min n SER 443 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3min n TRP 444 N 0.25 -0.61 -4.20 7.33 5.03 -1.07 -1.92 117.44 122.24 3min n TRP 444 Ca 0.17 0.00 -0.34 0.00 3.03 0.00 0.00 57.50 60.37 3min n TRP 444 Cb 0.33 -3.80 -0.04 0.00 -1.03 0.00 0.00 31.31 26.78 3min n TRP 444 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 3min n ASP 445 N -1.77 -1.97 -1.41 -0.99 8.00 -1.20 -0.86 116.55 116.34 3min n ASP 445 Ca -0.23 -1.06 -0.16 0.00 0.71 0.00 0.00 54.79 54.05 3min n ASP 445 Cb 0.69 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.12 39.14 3min n ASP 445 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3min n TYR 446 N -4.38 -0.27 -1.14 1.24 4.01 -0.81 -4.97 117.16 110.83 3min n TYR 446 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3min n TYR 446 Cb 0.56 -2.90 0.00 0.00 -0.31 0.00 0.00 39.34 36.69 3min n TYR 446 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3min n SER 447 N -0.68 0.00 0.00 7.72 2.88 -0.04 -5.12 113.62 118.38 3min n SER 447 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3min n SER 447 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3min n SER 447 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3min n GLY 448 N 5.00 -1.10 3.76 0.46 0.00 -1.26 -4.74 105.19 107.31 3min n GLY 448 Ca 0.00 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3min n GLY 448 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3min s PRO 449 N -1.70 2.95 0.00 1.61 0.04 -1.10 -4.92 135.00 131.88 3min s PRO 449 Ca 0.00 1.76 0.17 0.00 0.04 0.00 0.00 61.00 62.97 3min s PRO 449 Cb 0.00 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 3min s PRO 449 CO 0.00 -1.21 0.90 0.66 0.04 0.00 0.00 177.00 177.39 3min n TYR 450 N -1.70 0.00 -2.81 0.56 4.02 -1.26 -4.12 117.16 111.84 3min n TYR 450 Ca 0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.71 3min n TYR 450 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 3min n TYR 450 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3min s HIS 451 N -1.98 3.43 0.00 -0.72 3.76 -1.26 -3.95 115.29 114.57 3min s HIS 451 Ca 0.14 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 3min s HIS 451 Cb 0.14 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 31.25 3min s HIS 451 CO 0.43 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.61 3min n GLY 452 N -1.10 -1.67 0.16 -2.22 0.00 -0.28 -2.18 105.19 97.91 3min n GLY 452 Ca 0.04 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 3min n GLY 452 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3min h PHE 453 N 0.00 0.61 -0.38 1.61 0.04 -1.89 -2.65 116.94 114.28 3min h PHE 453 Ca 0.00 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.49 3min h PHE 453 Cb 0.00 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3min h PHE 453 CO 0.00 0.96 0.03 -0.44 -0.60 0.00 0.00 178.31 178.26 3min h ASP 454 N 0.10 0.54 0.42 2.17 3.32 -1.88 -2.09 116.42 118.99 3min h ASP 454 Ca -0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3min h ASP 454 Cb 0.94 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3min h ASP 454 CO 0.07 0.59 -0.36 1.23 -1.72 0.00 0.00 179.24 179.05 3min h GLY 455 N 0.84 0.00 1.51 2.75 0.00 -1.37 -2.78 103.07 104.02 3min h GLY 455 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3min h GLY 455 CO 0.01 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.74 3min h PHE 456 N 0.00 0.63 -0.49 5.60 3.57 -1.00 0.05 116.94 125.31 3min h PHE 456 Ca -0.00 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 3min h PHE 456 Cb 0.66 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3min h PHE 456 CO 0.00 0.64 0.11 0.00 -2.23 0.00 0.00 178.31 176.83 3min h ALA 457 N 1.39 0.64 -0.23 2.41 0.00 -1.48 0.08 119.26 122.07 3min h ALA 457 Ca 0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3min h ALA 457 Cb 0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3min h ALA 457 CO 0.02 0.34 -0.18 0.82 0.00 0.00 0.00 179.25 180.25 3min h ILE 458 N 0.66 1.32 -0.17 0.00 2.04 -1.51 -1.65 117.51 118.21 3min h ILE 458 Ca 0.15 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.75 3min h ILE 458 Cb 0.34 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 3min h ILE 458 CO 0.00 0.40 -0.13 0.15 0.00 0.00 0.00 178.15 178.58 3min h PHE 459 N 0.21 -0.32 -0.34 1.37 3.57 -0.82 -0.58 116.94 120.04 3min h PHE 459 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3min h PHE 459 Cb 0.71 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3min h PHE 459 CO 0.07 -0.19 0.16 0.00 -2.23 0.00 0.00 178.31 176.12 3min h ALA 460 N 0.98 0.41 -0.21 2.41 0.00 -0.92 -1.05 119.26 120.87 3min h ALA 460 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3min h ALA 460 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3min h ALA 460 CO -0.25 -0.22 0.09 -0.09 0.00 0.00 0.00 179.25 178.78 3min h ARG 461 N 0.33 0.19 -0.53 0.00 2.43 -1.01 -2.21 114.38 113.58 3min h ARG 461 Ca 0.15 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3min h ARG 461 Cb 0.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3min h ARG 461 CO -0.12 0.13 0.20 -0.44 -1.51 0.00 0.00 179.97 178.24 3min h ASP 462 N 0.20 0.74 -0.69 -3.80 3.32 -0.84 -0.11 116.42 115.25 3min h ASP 462 Ca 0.09 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3min h ASP 462 Cb 0.04 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3min h ASP 462 CO -0.08 0.72 0.19 0.24 -1.72 0.00 0.00 179.24 178.59 3min h MET 463 N 0.72 1.10 0.19 3.56 2.86 -1.11 -2.70 114.93 119.54 3min h MET 463 Ca 0.18 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3min h MET 463 Cb 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3min h MET 463 CO -0.01 0.95 -0.09 0.22 1.06 0.00 0.00 176.91 179.04 3min h ASP 464 N 1.05 -0.22 -0.52 1.22 3.58 -1.11 -0.35 116.42 120.07 3min h ASP 464 Ca 0.22 -0.18 0.03 0.00 0.42 0.00 0.00 57.03 57.53 3min h ASP 464 Cb 0.33 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 3min h ASP 464 CO -0.00 0.06 0.35 0.00 -2.88 0.00 0.00 179.24 176.76 3min h MET 465 N -0.50 0.56 0.00 0.28 -0.00 -0.92 0.17 114.93 114.53 3min h MET 465 Ca -0.03 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.59 3min h MET 465 Cb 0.38 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 3min h MET 465 CO 0.04 0.37 -0.33 1.15 -0.00 0.00 0.00 176.91 178.15 3min h THR 466 N 0.58 1.15 -0.42 -0.10 2.02 -1.47 -3.07 112.91 111.59 3min h THR 466 Ca 0.21 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 3min h THR 466 Cb 0.12 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3min h THR 466 CO -0.05 0.39 0.17 0.25 0.37 0.00 0.00 175.52 176.64 3min h LEU 467 N -1.00 0.54 -3.71 2.58 5.85 -0.91 -2.74 115.31 115.91 3min h LEU 467 Ca -0.08 -0.06 -0.35 0.00 0.84 0.00 0.00 57.88 58.24 3min h LEU 467 Cb 0.86 -0.14 -0.21 0.00 0.37 0.00 0.00 40.66 41.54 3min h LEU 467 CO -0.05 0.49 0.33 0.59 -0.34 0.00 0.00 178.44 179.46 3min n ASN 468 N -4.37 3.40 -4.72 1.25 3.02 0.59 -4.95 115.26 109.48 3min n ASN 468 Ca 0.03 -3.62 -0.42 0.00 -0.03 0.00 0.00 54.58 50.55 3min n ASN 468 Cb 0.15 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 3min n ASN 468 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3min s ASN 469 N -1.75 7.41 0.48 6.41 3.84 -1.03 -4.93 114.94 125.37 3min s ASN 469 Ca 0.52 1.73 0.33 0.00 0.21 0.00 0.00 52.86 55.65 3min s ASN 469 Cb 0.45 -2.58 1.45 0.00 -0.55 0.00 0.00 41.25 40.01 3min s ASN 469 CO 0.07 -0.18 1.70 1.55 -2.79 0.00 0.00 177.10 177.44 3min h PRO 470 N 6.26 0.11 -0.19 0.43 0.13 -1.92 -2.35 132.00 134.46 3min h PRO 470 Ca -0.42 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3min h PRO 470 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3min h PRO 470 CO 0.74 0.07 0.16 0.00 -0.23 0.00 0.00 178.00 178.74 3min n TRP 472 N -4.19 0.82 0.77 0.00 7.02 -0.89 -2.09 117.44 118.88 3min n TRP 472 Ca 0.02 0.29 0.13 0.00 -1.02 0.00 0.00 57.50 56.91 3min n TRP 472 Cb 0.29 -0.97 0.38 0.00 -2.42 0.00 0.00 31.31 28.59 3min n TRP 472 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3min n LYS 473 N -2.21 0.16 -0.82 -0.99 4.76 -0.76 -4.04 118.16 114.26 3min n LYS 473 Ca 0.03 0.09 0.05 0.00 -2.87 0.00 0.00 58.31 55.62 3min n LYS 473 Cb 0.30 -1.65 0.36 0.00 -1.84 0.00 0.00 35.03 32.20 3min n LYS 473 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3min n LYS 474 N -1.91 4.24 0.10 1.97 4.76 -0.89 -4.56 118.16 121.88 3min n LYS 474 Ca 0.05 -3.09 0.13 0.00 -2.87 0.00 0.00 58.31 52.53 3min n LYS 474 Cb 0.39 -2.16 0.43 0.00 -1.84 0.00 0.00 35.03 31.85 3min n LYS 474 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3min n LEU 475 N 0.21 0.73 -4.27 -0.35 7.99 -1.26 -4.74 117.00 115.32 3min n LEU 475 Ca 0.29 0.59 -0.32 0.00 -0.01 0.00 0.00 56.01 56.55 3min n LEU 475 Cb 1.16 -0.38 -0.16 0.00 -0.11 0.00 0.00 43.42 43.93 3min n LEU 475 CO 0.30 -0.25 -0.54 -1.58 -1.51 0.00 0.00 177.39 173.82 3min s GLN 476 N -3.14 2.99 0.41 3.23 -0.44 -1.26 -5.10 119.66 116.36 3min s GLN 476 Ca 0.10 -0.84 -0.25 0.00 -2.50 0.00 0.00 55.36 51.86 3min s GLN 476 Cb 0.12 -2.34 -0.08 0.00 -1.64 0.00 0.00 33.01 29.07 3min s GLN 476 CO 0.55 0.24 1.24 0.00 0.50 0.00 0.00 175.29 177.82 3min s ALA 477 N 0.20 3.19 0.08 1.58 0.00 -1.21 -4.91 121.76 120.68 3min s ALA 477 Ca -0.13 1.11 0.21 0.00 0.00 0.00 0.00 51.96 53.15 3min s ALA 477 Cb -0.16 -3.44 1.17 0.00 0.00 0.00 0.00 23.12 20.69 3min s ALA 477 CO 0.07 -0.70 1.62 -1.35 0.00 0.00 0.00 175.76 175.39 3min h PRO 478 N 2.60 0.00 -0.01 0.00 0.11 -1.98 -1.25 132.00 131.47 3min h PRO 478 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3min h PRO 478 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3min h PRO 478 CO 0.62 0.00 -0.24 -2.67 -0.21 0.00 0.00 178.00 175.50 3min n TRP 479 N -2.34 0.00 0.00 0.65 2.14 -1.26 -5.33 117.44 111.31 3min n TRP 479 Ca -0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.56 3min n TRP 479 Cb 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.70 3min n TRP 479 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15