#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2min n ARG 6 N 0.00 0.00 -0.11 1.43 0.00 -1.26 -1.76 116.66 114.95 2min n ARG 6 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 2min n ARG 6 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 32.46 32.48 2min n ARG 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2min h GLU 7 N 0.00 0.13 -0.93 2.89 3.07 -1.99 -1.36 114.58 116.38 2min h GLU 7 Ca 0.00 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.88 2min h GLU 7 Cb 0.00 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.83 2min h GLU 7 CO 0.00 0.08 0.61 1.05 -1.40 0.00 0.00 179.01 179.35 2min h GLU 8 N 0.13 1.15 -0.38 2.33 -0.00 -1.78 -0.79 114.58 115.24 2min h GLU 8 Ca 0.19 -0.07 -0.12 0.00 -0.00 0.00 0.00 59.36 59.35 2min h GLU 8 Cb 0.25 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 28.73 2min h GLU 8 CO -0.29 0.76 -0.24 0.28 -0.00 0.00 0.00 179.01 179.52 2min h VAL 9 N 1.19 1.28 -0.03 -1.06 2.07 -1.47 0.24 116.25 118.47 2min h VAL 9 Ca 0.37 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2min h VAL 9 Cb -0.01 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2min h VAL 9 CO -0.12 0.46 -0.42 -0.33 0.02 0.00 0.00 177.57 177.19 2min h GLU 10 N 0.63 0.07 -0.35 1.57 5.08 -0.88 -0.20 114.58 120.50 2min h GLU 10 Ca 0.08 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2min h GLU 10 Cb 0.81 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2min h GLU 10 CO 0.07 0.48 0.06 0.77 -1.00 0.00 0.00 179.01 179.39 2min h SER 11 N 0.06 0.56 -0.26 1.42 0.02 -0.75 -2.17 113.55 112.43 2min h SER 11 Ca 0.00 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2min h SER 11 Cb 0.77 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2min h SER 11 CO 0.06 0.67 0.11 0.25 -1.14 0.00 0.00 176.83 176.78 2min h LEU 12 N 0.42 0.15 0.11 5.07 5.85 -0.12 -1.39 115.31 125.40 2min h LEU 12 Ca 0.11 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2min h LEU 12 Cb 0.35 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2min h LEU 12 CO 0.01 0.12 -0.07 0.40 -0.34 0.00 0.00 178.44 178.56 2min h ILE 13 N 0.25 0.86 -0.48 4.05 2.04 -0.96 -1.44 117.51 121.83 2min h ILE 13 Ca 0.11 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 2min h ILE 13 Cb 0.06 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2min h ILE 13 CO -0.10 0.00 -0.03 0.06 0.00 0.00 0.00 178.15 178.09 2min h GLN 14 N -0.17 0.81 -0.07 2.37 -0.00 -1.26 -1.84 115.11 114.96 2min h GLN 14 Ca -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2min h GLN 14 Cb 0.14 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 27.53 2min h GLN 14 CO 0.01 0.83 0.04 0.93 -0.00 0.00 0.00 178.83 180.65 2min h GLU 15 N 0.75 0.09 -0.63 0.06 5.08 -0.91 -2.58 114.58 116.43 2min h GLU 15 Ca 0.14 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2min h GLU 15 Cb 0.49 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2min h GLU 15 CO 0.02 0.06 0.42 0.28 -1.00 0.00 0.00 179.01 178.79 2min h VAL 16 N 0.09 1.17 0.00 3.13 2.07 -1.12 -2.37 116.25 119.22 2min h VAL 16 Ca 0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2min h VAL 16 Cb -0.01 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2min h VAL 16 CO -0.01 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.67 2min h LEU 17 N 0.86 0.00 0.00 2.57 3.38 -1.08 -3.09 115.31 117.94 2min h LEU 17 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2min h LEU 17 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2min h LEU 17 CO -0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.86 2min n GLU 18 N -2.91 0.28 0.07 1.13 1.02 -0.89 -1.63 120.64 117.70 2min n GLU 18 Ca -0.01 0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 2min n GLU 18 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2min n GLU 18 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2min n VAL 19 N -1.03 0.82 -2.43 2.62 3.14 -1.17 -4.95 118.33 115.32 2min n VAL 19 Ca 0.07 -0.60 -0.36 0.00 -2.96 0.00 0.00 64.34 60.48 2min n VAL 19 Cb 0.04 -0.48 -0.03 0.00 -1.06 0.00 0.00 33.84 32.31 2min n VAL 19 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2min s TYR 20 N -3.21 3.05 0.52 1.45 2.02 -0.65 -5.03 117.35 115.51 2min s TYR 20 Ca -0.02 1.59 -0.21 0.00 -0.37 0.00 0.00 57.07 58.06 2min s TYR 20 Cb 0.09 -3.21 -0.08 0.00 -0.40 0.00 0.00 41.96 38.36 2min s TYR 20 CO 0.80 -1.02 0.96 -2.30 -1.57 0.00 0.00 175.55 172.42 2min n PRO 21 N -0.43 1.10 -0.29 -1.71 -0.02 -1.26 -4.70 135.00 127.69 2min n PRO 21 Ca 0.07 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 2min n PRO 21 Cb 0.50 -2.09 0.30 0.00 -0.02 0.00 0.00 33.50 32.19 2min n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2min h GLU 22 N 0.96 0.84 -0.58 -0.52 5.08 -1.97 -1.05 114.58 117.35 2min h GLU 22 Ca -0.47 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 2min h GLU 22 Cb 1.35 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2min h GLU 22 CO 0.53 0.56 0.37 -0.22 -1.00 0.00 0.00 179.01 179.25 2min h LYS 23 N 0.87 0.72 -0.26 2.33 3.64 -1.99 0.79 116.57 122.67 2min h LYS 23 Ca 0.43 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 2min h LYS 23 Cb 0.46 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2min h LYS 23 CO -0.19 0.48 0.06 0.00 -2.27 0.00 0.00 179.45 177.53 2min h ALA 24 N 1.23 0.34 -0.28 5.00 0.00 -1.76 -2.45 119.26 121.34 2min h ALA 24 Ca 0.22 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2min h ALA 24 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2min h ALA 24 CO -0.07 0.00 0.08 -0.09 0.00 0.00 0.00 179.25 179.17 2min h ARG 25 N 0.24 0.18 -0.13 0.00 2.43 -0.65 0.89 114.38 117.34 2min h ARG 25 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2min h ARG 25 Cb 0.29 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2min h ARG 25 CO 0.00 0.12 -0.29 0.87 -1.51 0.00 0.00 179.97 179.17 2min h LYS 26 N 0.19 0.25 0.08 0.20 1.57 -0.83 -1.52 116.57 116.51 2min h LYS 26 Ca 0.13 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2min h LYS 26 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2min h LYS 26 CO -0.15 0.52 -0.04 0.22 -0.57 0.00 0.00 179.45 179.44 2min h ASP 27 N 0.22 -0.09 -0.63 0.86 3.58 -0.93 -3.32 116.42 116.11 2min h ASP 27 Ca 0.03 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 2min h ASP 27 Cb 0.63 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 2min h ASP 27 CO 0.05 0.52 0.39 0.03 -2.88 0.00 0.00 179.24 177.34 2min h ARG 28 N -0.76 0.86 -1.03 0.28 2.47 -0.75 -1.54 114.38 113.91 2min h ARG 28 Ca -0.01 -0.07 0.25 0.00 -1.26 0.00 0.00 59.98 58.90 2min h ARG 28 Cb 0.59 -0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 28.62 2min h ARG 28 CO 0.02 0.60 0.64 -0.97 0.56 0.00 0.00 179.97 180.81 2min h ASN 29 N 0.87 0.55 1.09 7.04 -0.00 -1.39 0.72 115.58 124.47 2min h ASN 29 Ca 0.23 0.10 0.00 0.00 -0.00 0.00 0.00 56.30 56.63 2min h ASN 29 Cb -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 2min h ASN 29 CO -0.04 0.10 0.00 0.29 -0.00 0.00 0.00 177.43 177.78 2min n LYS 30 N -4.73 0.19 -0.23 6.67 5.02 -0.58 -3.51 118.16 121.00 2min n LYS 30 Ca 0.26 0.27 0.07 0.00 -2.02 0.00 0.00 58.31 56.89 2min n LYS 30 Cb 0.81 -1.77 0.20 0.00 -0.02 0.00 0.00 35.03 34.25 2min n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2min n HIS 31 N -2.11 0.60 -4.10 2.13 8.25 0.24 -1.24 115.22 118.99 2min n HIS 31 Ca 0.04 -0.49 -0.28 0.00 -0.26 0.00 0.00 57.72 56.74 2min n HIS 31 Cb 0.33 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.26 2min n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2min s LEU 32 N -1.00 1.45 0.05 2.41 1.43 -1.18 -0.98 118.68 120.85 2min s LEU 32 Ca 0.30 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2min s LEU 32 Cb 0.16 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2min s LEU 32 CO 0.21 -0.07 -0.04 0.00 0.23 0.00 0.00 176.35 176.68 2min s ALA 33 N 1.42 0.47 -0.14 4.21 0.00 -0.34 -4.95 121.76 122.43 2min s ALA 33 Ca 0.01 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 2min s ALA 33 Cb -0.13 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2min s ALA 33 CO -0.07 -0.27 0.07 0.08 0.00 0.00 0.00 175.76 175.58 2min s VAL 34 N -3.00 4.86 -0.68 0.00 1.01 -1.26 -0.87 120.40 120.45 2min s VAL 34 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2min s VAL 34 Cb 0.01 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2min s VAL 34 CO -0.06 0.55 1.30 0.21 0.00 0.00 0.00 175.10 177.10 2min s ASN 35 N -0.40 6.17 0.00 3.32 2.47 -0.72 -4.93 114.94 120.87 2min s ASN 35 Ca 0.09 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.15 2min s ASN 35 Cb -0.12 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2min s ASN 35 CO 0.02 -1.78 0.00 0.00 -3.72 0.00 0.00 177.10 171.62 2min s ILE 46 N -1.73 0.02 0.29 0.00 2.07 -1.26 -4.67 121.20 115.91 2min s ILE 46 Ca 0.00 -0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.12 2min s ILE 46 Cb 0.00 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 2min s ILE 46 CO 0.00 -0.11 0.19 0.27 -1.91 0.00 0.00 174.94 173.39 2min s ILE 47 N -0.39 3.92 0.26 2.00 -4.36 -0.37 -5.03 121.20 117.22 2min s ILE 47 Ca -0.05 -1.49 -0.06 0.00 -0.26 0.00 0.00 60.65 58.79 2min s ILE 47 Cb -0.03 -3.23 -0.02 0.00 1.25 0.00 0.00 42.46 40.43 2min s ILE 47 CO 0.02 -0.29 0.36 -0.94 0.24 0.00 0.00 174.94 174.33 2min s SER 48 N -3.87 0.27 -1.47 4.36 1.04 -1.26 -4.57 113.70 108.21 2min s SER 48 Ca 0.36 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 2min s SER 48 Cb -0.07 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.65 2min s SER 48 CO 0.25 -1.07 1.04 -3.20 0.98 0.00 0.00 173.24 171.23 2min n ASN 49 N -0.61 -5.14 -4.85 7.02 4.05 -1.18 -4.85 115.26 109.69 2min n ASN 49 Ca 0.00 -0.71 -0.22 0.00 0.45 0.00 0.00 54.58 54.10 2min n ASN 49 Cb 0.63 -4.25 -0.03 0.00 1.23 0.00 0.00 39.78 37.36 2min n ASN 49 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2min s LYS 50 N -6.50 2.43 0.60 1.20 -0.14 -1.26 -5.01 119.74 111.06 2min s LYS 50 Ca 0.61 -1.67 -0.16 0.00 -1.36 0.00 0.00 55.97 53.40 2min s LYS 50 Cb -0.30 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 2min s LYS 50 CO 0.80 -0.25 1.07 -1.59 -0.76 0.00 0.00 175.35 174.62 2min s LYS 51 N -4.11 3.24 0.29 1.68 0.00 -1.26 -4.92 119.74 114.65 2min s LYS 51 Ca 0.45 1.25 -0.29 0.00 0.00 0.00 0.00 55.97 57.39 2min s LYS 51 Cb -0.02 -2.02 -0.09 0.00 0.00 0.00 0.00 37.83 35.70 2min s LYS 51 CO 0.26 -0.88 1.03 -1.12 0.00 0.00 0.00 175.35 174.64 2min s SER 52 N -2.70 7.33 0.08 0.03 0.01 -1.26 -5.01 113.70 112.17 2min s SER 52 Ca 0.65 2.10 -0.31 0.00 1.31 0.00 0.00 55.95 59.69 2min s SER 52 Cb -0.17 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.38 2min s SER 52 CO 0.37 -0.09 1.27 -1.10 0.41 0.00 0.00 173.24 174.10 2min s GLN 53 N -1.56 4.39 0.49 12.44 -1.52 -1.26 -4.98 119.66 127.66 2min s GLN 53 Ca 0.46 1.88 -0.23 0.00 -1.95 0.00 0.00 55.36 55.51 2min s GLN 53 Cb -0.27 -3.31 -0.07 0.00 -0.22 0.00 0.00 33.01 29.13 2min s GLN 53 CO 0.35 -0.32 1.34 -2.30 -0.25 0.00 0.00 175.29 174.10 2min n PRO 54 N 3.95 1.86 -1.12 2.91 -0.02 -1.26 -3.35 135.00 137.98 2min n PRO 54 Ca 0.10 0.67 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 2min n PRO 54 Cb 0.45 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2min n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2min n GLY 55 N 0.75 0.63 1.00 -1.23 0.00 -1.26 -4.90 105.19 100.18 2min n GLY 55 Ca 0.08 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2min n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2min n LEU 56 N -0.47 3.65 -3.46 0.99 4.77 -1.21 -5.00 117.00 116.27 2min n LEU 56 Ca -0.04 -2.26 -0.22 0.00 -0.03 0.00 0.00 56.01 53.45 2min n LEU 56 Cb 0.27 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2min n LEU 56 CO 0.06 0.78 -0.01 0.80 -1.33 0.00 0.00 177.39 177.69 2min n MET 57 N 0.66 -2.26 -1.17 3.23 1.56 -1.26 -3.82 117.12 114.05 2min n MET 57 Ca 0.18 0.69 -0.33 0.00 -0.27 0.00 0.00 57.70 57.97 2min n MET 57 Cb 0.63 -5.13 0.12 0.00 2.15 0.00 0.00 33.22 31.00 2min n MET 57 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 2min s THR 58 N -3.44 2.31 -0.68 1.12 -1.32 -1.26 -2.74 115.64 109.62 2min s THR 58 Ca 0.41 0.13 0.23 0.00 -1.21 0.00 0.00 61.69 61.25 2min s THR 58 Cb -0.09 -2.52 -0.12 0.00 -1.51 0.00 0.00 72.50 68.26 2min s THR 58 CO 0.79 -0.10 1.04 -0.38 -2.21 0.00 0.00 174.62 173.76 2min n ILE 59 N -3.29 0.13 -1.34 5.08 5.41 -1.26 -4.96 119.36 119.12 2min n ILE 59 Ca 0.13 -0.19 -0.36 0.00 1.00 0.00 0.00 62.75 63.32 2min n ILE 59 Cb 0.51 0.30 0.07 0.00 -0.71 0.00 0.00 39.64 39.81 2min n ILE 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2min n ARG 60 N -1.87 0.43 0.00 0.38 1.74 -1.26 -5.07 116.66 111.02 2min n ARG 60 Ca 0.02 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2min n ARG 60 Cb 0.42 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2min n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2min n GLY 61 N 1.46 4.05 3.68 -0.13 0.00 -1.26 -5.03 105.19 107.96 2min n GLY 61 Ca 0.11 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 2min n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2min h ALA 63 N 1.49 1.56 -0.47 0.00 0.00 -1.71 -1.54 119.26 118.59 2min h ALA 63 Ca -0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2min h ALA 63 Cb 1.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2min h ALA 63 CO 0.68 0.32 0.14 -0.92 0.00 0.00 0.00 179.25 179.47 2min h TYR 64 N 0.35 0.76 -0.74 0.00 5.03 -1.44 -0.96 116.97 119.96 2min h TYR 64 Ca 0.08 -0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.35 2min h TYR 64 Cb 0.23 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 38.24 2min h TYR 64 CO 0.01 0.68 0.46 0.00 -1.32 0.00 0.00 178.16 177.98 2min h ALA 65 N 1.00 0.99 -0.32 1.82 0.00 -1.62 0.31 119.26 121.45 2min h ALA 65 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2min h ALA 65 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2min h ALA 65 CO -0.00 0.21 -0.01 0.78 0.00 0.00 0.00 179.25 180.24 2min h GLY 66 N 0.87 0.52 0.00 0.00 0.00 -0.89 -0.21 103.07 103.36 2min h GLY 66 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2min h GLY 66 CO -0.14 0.28 -0.65 -1.26 0.00 0.00 0.00 176.54 174.77 2min n SER 67 N -4.29 1.81 -0.02 0.19 2.88 -0.41 -3.00 113.62 110.78 2min n SER 67 Ca 0.01 0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 57.96 2min n SER 67 Cb 0.24 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 62.78 2min n SER 67 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2min h LYS 68 N -0.98 -0.05 -0.52 -1.46 3.11 -0.53 0.65 116.57 116.79 2min h LYS 68 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2min h LYS 68 Cb 0.65 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 2min h LYS 68 CO 0.00 0.58 0.28 0.78 -2.81 0.00 0.00 179.45 178.28 2min h GLY 69 N -0.78 0.79 0.00 5.01 0.00 -0.92 -0.21 103.07 106.96 2min h GLY 69 Ca -0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 46.76 2min h GLY 69 CO 0.01 0.35 -1.76 3.33 0.00 0.00 0.00 176.54 178.47 2min n VAL 70 N -4.63 0.76 -0.07 4.60 0.24 -0.32 -4.62 118.33 114.29 2min n VAL 70 Ca 0.02 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.96 2min n VAL 70 Cb 0.09 -1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 31.33 2min n VAL 70 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2min h VAL 71 N -0.08 0.45 0.02 3.34 2.07 -1.35 -3.42 116.25 117.28 2min h VAL 71 Ca -0.30 -1.45 -0.09 0.00 0.82 0.00 0.00 66.70 65.67 2min h VAL 71 Cb 1.43 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2min h VAL 71 CO -0.07 0.15 -0.38 -0.50 0.02 0.00 0.00 177.57 176.79 2min h TRP 72 N -1.00 0.33 -0.93 1.57 4.06 -1.05 -3.38 115.95 115.56 2min h TRP 72 Ca -0.08 -0.20 0.25 0.00 2.06 0.00 0.00 58.89 60.92 2min h TRP 72 Cb 0.63 -0.03 -0.17 0.00 -1.00 0.00 0.00 29.16 28.58 2min h TRP 72 CO -0.02 1.05 -0.01 0.41 -3.56 0.00 0.00 178.44 176.30 2min n GLY 73 N 1.24 -1.30 0.29 1.49 0.00 -0.09 -1.30 105.19 105.51 2min n GLY 73 Ca -0.11 0.92 0.14 0.00 0.00 0.00 0.00 46.02 46.98 2min n GLY 73 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2min h PRO 74 N 0.00 0.00 -6.08 1.61 0.11 -1.81 -3.43 132.00 122.40 2min h PRO 74 Ca 0.55 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 66.08 2min h PRO 74 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2min h PRO 74 CO -0.89 0.01 1.41 0.42 -0.21 0.00 0.00 178.00 178.74 2min s ILE 75 N -4.66 3.20 0.17 4.15 1.01 -0.42 -4.11 121.20 120.54 2min s ILE 75 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.85 2min s ILE 75 Cb 0.15 -3.28 -0.14 0.00 0.01 0.00 0.00 42.46 39.20 2min s ILE 75 CO 0.56 -0.18 1.39 0.07 0.00 0.00 0.00 174.94 176.78 2min h LYS 76 N 14.39 0.12 -0.66 2.79 2.10 -1.26 -3.27 116.57 130.78 2min h LYS 76 Ca -0.37 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2min h LYS 76 Cb 1.21 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2min h LYS 76 CO 1.00 0.91 0.00 -0.40 -2.00 0.00 0.00 179.45 178.96 2min n ASP 77 N -3.61 3.53 -4.84 7.07 5.68 -1.26 -1.64 116.55 121.48 2min n ASP 77 Ca -0.02 -2.00 -0.22 0.00 -0.50 0.00 0.00 54.79 52.05 2min n ASP 77 Cb 0.81 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 40.31 2min n ASP 77 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2min s MET 78 N -1.13 2.80 -0.11 0.11 -1.94 -1.24 -0.68 119.30 117.12 2min s MET 78 Ca 0.44 -1.20 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 2min s MET 78 Cb 0.23 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 2min s MET 78 CO 0.30 0.23 0.00 0.42 -0.01 0.00 0.00 175.02 175.96 2min s ILE 79 N -2.23 4.30 -0.19 2.53 1.01 -0.23 -4.59 121.20 121.80 2min s ILE 79 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 2min s ILE 79 Cb -0.07 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2min s ILE 79 CO 0.26 0.56 -0.14 -1.00 0.00 0.00 0.00 174.94 174.62 2min s HIS 80 N -0.44 2.83 -0.26 3.97 3.76 -1.26 -0.72 115.29 123.17 2min s HIS 80 Ca 0.08 -1.28 -0.13 0.00 -0.15 0.00 0.00 55.06 53.58 2min s HIS 80 Cb -0.12 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 2min s HIS 80 CO 0.02 -0.65 0.29 0.42 -0.85 0.00 0.00 174.74 173.97 2min s ILE 81 N 1.24 5.25 -0.56 0.60 -1.09 0.42 -4.27 121.20 122.79 2min s ILE 81 Ca 0.03 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 58.59 2min s ILE 81 Cb -0.14 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2min s ILE 81 CO -0.07 0.23 1.04 -0.44 -1.23 0.00 0.00 174.94 174.47 2min s SER 82 N 1.51 6.40 -0.31 3.58 0.01 -0.48 -0.67 113.70 123.74 2min s SER 82 Ca 0.12 -0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 2min s SER 82 Cb -0.15 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2min s SER 82 CO 0.09 -1.32 0.26 -2.28 0.41 0.00 0.00 173.24 170.41 2min s HIS 83 N 4.34 3.22 -4.77 2.43 2.46 -0.26 -2.52 115.29 120.20 2min s HIS 83 Ca 0.36 0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.94 2min s HIS 83 Cb -0.10 -2.49 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 2min s HIS 83 CO 0.22 -0.27 0.00 0.41 -2.47 0.00 0.00 174.74 172.63 2min n GLY 84 N 4.99 0.87 3.62 1.59 0.00 -1.26 -1.45 105.19 113.55 2min n GLY 84 Ca -0.12 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2min n GLY 84 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2min s PRO 85 N -1.91 -0.83 0.27 1.61 0.02 -1.26 -0.73 135.00 132.17 2min s PRO 85 Ca 0.00 0.05 0.13 0.00 0.02 0.00 0.00 61.00 61.20 2min s PRO 85 Cb 0.00 -1.63 0.31 0.00 0.02 0.00 0.00 34.50 33.20 2min s PRO 85 CO 0.00 -3.48 1.57 -0.24 -0.33 0.00 0.00 177.00 174.52 2min h VAL 86 N -2.41 1.27 -0.01 3.83 3.04 -1.89 -3.38 116.25 116.71 2min h VAL 86 Ca -0.47 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.02 2min h VAL 86 Cb 1.30 2.24 -0.01 0.00 -2.01 0.00 0.00 31.29 32.81 2min h VAL 86 CO 0.40 0.59 -0.09 1.23 -1.01 0.00 0.00 177.57 178.69 2min h GLY 87 N 2.30 -1.38 0.12 3.17 0.00 -1.99 -2.76 103.07 102.53 2min h GLY 87 Ca -0.01 0.62 0.12 0.00 0.00 0.00 0.00 47.33 48.06 2min h GLY 87 CO 0.08 -0.49 0.09 0.00 0.00 0.00 0.00 176.54 176.22 2min h GLY 89 N 0.21 0.00 0.52 0.00 0.00 -1.80 -1.91 103.07 100.09 2min h GLY 89 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 2min h GLY 89 CO -0.43 0.00 -0.31 -1.61 0.00 0.00 0.00 176.54 174.19 2min h GLN 90 N 0.00 0.22 0.00 4.80 5.75 -0.61 -2.34 115.11 122.94 2min h GLN 90 Ca -0.00 -0.23 -0.08 0.00 -0.15 0.00 0.00 58.65 58.19 2min h GLN 90 Cb 0.62 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2min h GLN 90 CO 0.04 0.95 -0.39 1.88 -2.65 0.00 0.00 178.83 178.66 2min h TYR 91 N -0.42 0.00 -0.00 3.99 0.05 -0.93 -2.41 116.97 117.25 2min h TYR 91 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2min h TYR 91 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2min h TYR 91 CO 0.17 0.39 -0.28 -1.13 -1.05 0.00 0.00 178.16 176.26 2min n SER 92 N -3.87 0.60 -4.63 3.88 3.41 -0.72 -4.73 113.62 107.55 2min n SER 92 Ca -0.01 -0.44 -0.44 0.00 -0.26 0.00 0.00 58.87 57.72 2min n SER 92 Cb 0.45 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 2min n SER 92 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2min n ARG 93 N -1.12 2.37 -2.40 4.33 0.63 -0.88 -2.82 116.66 116.78 2min n ARG 93 Ca 0.10 0.81 -0.13 0.00 -0.92 0.00 0.00 57.85 57.71 2min n ARG 93 Cb 0.33 -2.98 -0.01 0.00 0.45 0.00 0.00 32.46 30.25 2min n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2min n ALA 94 N 8.73 -0.75 0.08 5.13 0.00 -1.26 -4.85 120.51 127.59 2min n ALA 94 Ca 0.25 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2min n ALA 94 Cb 0.39 -1.54 -0.13 0.00 0.00 0.00 0.00 19.45 18.17 2min n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2min h GLY 95 N 0.00 0.13 -5.92 0.00 0.00 -1.81 -3.44 103.07 92.03 2min h GLY 95 Ca -0.30 -0.33 -0.63 0.00 0.00 0.00 0.00 47.33 46.06 2min h GLY 95 CO 0.36 0.29 -0.59 -1.60 0.00 0.00 0.00 176.54 175.00 2min s ARG 96 N -2.69 3.76 -1.16 4.80 3.52 -1.26 -5.01 118.95 120.92 2min s ARG 96 Ca -0.01 -0.39 -0.07 0.00 -0.13 0.00 0.00 55.73 55.13 2min s ARG 96 Cb 0.09 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 2min s ARG 96 CO 0.85 0.34 2.79 0.54 -0.81 0.00 0.00 175.30 179.00 2min n ARG 97 N 3.30 3.70 -2.61 5.12 1.74 -1.26 -4.87 116.66 121.78 2min n ARG 97 Ca -0.17 -2.59 -0.41 0.00 -0.77 0.00 0.00 57.85 53.90 2min n ARG 97 Cb 0.53 -2.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 2min n ARG 97 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2min s ASN 98 N 1.18 6.37 0.62 0.55 4.22 -1.26 -1.90 114.94 124.71 2min s ASN 98 Ca 0.62 -1.12 -0.17 0.00 -2.14 0.00 0.00 52.86 50.06 2min s ASN 98 Cb 0.23 -2.54 -0.02 0.00 1.28 0.00 0.00 41.25 40.19 2min s ASN 98 CO -0.09 -1.58 1.12 -0.31 -2.04 0.00 0.00 177.10 174.20 2min s TYR 99 N 4.97 2.65 0.08 1.54 1.51 -0.85 -4.73 117.35 122.51 2min s TYR 99 Ca 0.39 1.55 -0.26 0.00 -1.01 0.00 0.00 57.07 57.74 2min s TYR 99 Cb -0.05 -3.21 0.07 0.00 -0.11 0.00 0.00 41.96 38.67 2min s TYR 99 CO 0.00 -1.63 0.63 1.52 -1.11 0.00 0.00 175.55 174.96 2min s TYR 100 N -2.14 -0.58 -0.21 2.71 1.13 -1.26 -2.23 117.35 114.77 2min s TYR 100 Ca 0.69 0.62 -0.09 0.00 -1.41 0.00 0.00 57.07 56.88 2min s TYR 100 Cb -0.22 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 2min s TYR 100 CO 0.36 -0.76 0.11 0.42 -2.51 0.00 0.00 175.55 173.17 2min s ILE 101 N -2.81 5.06 -0.09 -3.49 -1.09 -1.26 -5.06 121.20 112.46 2min s ILE 101 Ca -0.03 0.07 -0.32 0.00 -2.23 0.00 0.00 60.65 58.14 2min s ILE 101 Cb -0.01 -3.32 0.13 0.00 -1.58 0.00 0.00 42.46 37.68 2min s ILE 101 CO -0.05 0.40 1.41 -0.83 -1.23 0.00 0.00 174.94 174.65 2min s GLY 102 N 0.73 -0.39 -0.44 6.18 0.00 -1.26 -5.01 107.32 107.12 2min s GLY 102 Ca 0.06 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 2min s GLY 102 CO 0.02 2.66 0.27 -1.59 0.00 0.00 0.00 173.10 174.46 2min s THR 103 N -2.03 3.66 0.20 0.90 2.01 -1.26 -4.95 115.64 114.17 2min s THR 103 Ca 0.21 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 59.91 2min s THR 103 Cb 0.05 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 2min s THR 103 CO -0.05 -0.73 1.32 -0.89 -0.69 0.00 0.00 174.62 173.58 2min s THR 104 N 1.16 3.17 0.00 -0.82 2.01 -1.24 -1.31 115.64 118.60 2min s THR 104 Ca 0.08 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2min s THR 104 Cb -0.24 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2min s THR 104 CO -0.03 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2min n GLY 105 N 2.40 2.34 0.65 4.40 0.00 0.65 -4.83 105.19 110.81 2min n GLY 105 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2min n GLY 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2min n VAL 106 N -2.00 0.74 0.01 1.61 0.31 -1.00 -4.92 118.33 113.08 2min n VAL 106 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 2min n VAL 106 Cb 0.00 -1.57 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 2min n VAL 106 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2min n ASN 107 N -3.26 3.64 -4.38 4.52 2.04 -0.43 -4.32 115.26 113.07 2min n ASN 107 Ca -0.03 -0.13 -0.26 0.00 -0.44 0.00 0.00 54.58 53.72 2min n ASN 107 Cb 0.11 1.03 -0.12 0.00 -2.53 0.00 0.00 39.78 38.27 2min n ASN 107 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2min s ALA 108 N -1.81 2.32 0.00 -2.53 0.00 -0.44 -4.35 121.76 114.95 2min s ALA 108 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2min s ALA 108 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2min s ALA 108 CO 0.03 0.43 0.28 1.19 0.00 0.00 0.00 175.76 177.69 2min n PHE 109 N 0.58 0.00 -0.22 0.00 3.72 -0.65 -0.25 117.46 120.63 2min n PHE 109 Ca -0.15 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.28 2min n PHE 109 Cb 0.55 0.01 0.14 0.00 -0.94 0.00 0.00 39.48 39.24 2min n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2min h VAL 110 N 2.22 0.60 -0.00 -4.37 2.07 -1.84 -1.93 116.25 113.00 2min h VAL 110 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2min h VAL 110 Cb 0.81 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2min h VAL 110 CO 0.00 0.05 -0.03 0.35 0.02 0.00 0.00 177.57 177.96 2min n THR 111 N -5.12 0.00 -2.25 2.57 -2.24 -1.26 -4.78 114.28 101.21 2min n THR 111 Ca 0.11 -0.08 -0.28 0.00 -2.27 0.00 0.00 64.05 61.54 2min n THR 111 Cb 0.38 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 2min n THR 111 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2min s MET 112 N -2.16 2.99 -0.38 -0.78 1.00 -0.73 -4.36 119.30 114.88 2min s MET 112 Ca 0.39 0.18 0.04 0.00 0.00 0.00 0.00 55.69 56.30 2min s MET 112 Cb 0.21 -2.20 0.11 0.00 0.00 0.00 0.00 34.83 32.95 2min s MET 112 CO 0.39 -0.74 0.10 1.21 0.00 0.00 0.00 175.02 175.98 2min s ASN 113 N -4.30 4.60 -0.13 3.03 2.47 -1.26 -4.88 114.94 114.47 2min s ASN 113 Ca 0.55 -2.31 -0.18 0.00 0.42 0.00 0.00 52.86 51.34 2min s ASN 113 Cb -0.11 -1.56 -0.04 0.00 -1.45 0.00 0.00 41.25 38.09 2min s ASN 113 CO 0.47 -0.35 0.46 -0.36 -3.72 0.00 0.00 177.10 173.61 2min s PHE 114 N 0.69 3.49 0.04 0.43 0.40 -1.26 -5.05 117.98 116.72 2min s PHE 114 Ca 0.12 0.84 -0.09 0.00 -0.60 0.00 0.00 56.93 57.21 2min s PHE 114 Cb -0.20 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.78 2min s PHE 114 CO -0.07 0.14 0.18 -0.08 0.70 0.00 0.00 175.22 176.09 2min s THR 115 N 0.73 0.11 -2.55 0.64 -1.32 -1.26 -1.38 115.64 110.61 2min s THR 115 Ca 0.25 -0.91 0.25 0.00 -1.21 0.00 0.00 61.69 60.07 2min s THR 115 Cb -0.15 -0.89 0.43 0.00 -1.51 0.00 0.00 72.50 70.38 2min s THR 115 CO 0.10 -0.50 1.55 -1.54 -2.21 0.00 0.00 174.62 172.02 2min n SER 116 N 0.72 2.09 -3.46 8.08 3.41 -1.05 -4.96 113.62 118.45 2min n SER 116 Ca -0.19 -1.72 -0.18 0.00 -0.26 0.00 0.00 58.87 56.52 2min n SER 116 Cb 0.59 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2min n SER 116 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2min n ASP 117 N 0.62 -2.52 -4.68 4.04 2.03 -1.11 -4.75 116.55 110.17 2min n ASP 117 Ca 0.17 -0.61 -0.46 0.00 0.52 0.00 0.00 54.79 54.41 2min n ASP 117 Cb 0.43 -0.88 -0.04 0.00 -0.72 0.00 0.00 41.12 39.91 2min n ASP 117 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2min n PHE 118 N -2.22 2.37 -3.53 -0.67 3.01 0.09 -4.85 117.46 111.66 2min n PHE 118 Ca -0.14 0.05 -0.22 0.00 1.01 0.00 0.00 57.45 58.15 2min n PHE 118 Cb 0.36 -2.64 -0.01 0.00 -0.01 0.00 0.00 39.48 37.18 2min n PHE 118 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2min s GLN 119 N 2.80 2.45 0.40 -1.08 -1.52 -1.26 -4.58 119.66 116.85 2min s GLN 119 Ca 0.86 -1.66 0.06 0.00 -1.95 0.00 0.00 55.36 52.68 2min s GLN 119 Cb -0.64 -2.37 0.81 0.00 -0.22 0.00 0.00 33.01 30.59 2min s GLN 119 CO 0.44 -0.40 2.04 1.49 -0.25 0.00 0.00 175.29 178.61 2min h GLU 120 N 0.81 0.57 -0.20 2.91 4.81 -2.00 -1.22 114.58 120.25 2min h GLU 120 Ca -0.38 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2min h GLU 120 Cb 1.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2min h GLU 120 CO 0.54 0.40 0.13 1.57 -0.73 0.00 0.00 179.01 180.92 2min h LYS 121 N 0.58 0.22 0.00 1.92 2.10 -1.99 -0.97 116.57 118.44 2min h LYS 121 Ca 0.15 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.66 2min h LYS 121 Cb -0.03 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.23 2min h LYS 121 CO -0.03 0.15 -0.64 -0.44 -2.00 0.00 0.00 179.45 176.48 2min h ASP 122 N 0.23 0.00 0.01 7.07 3.32 -1.48 0.17 116.42 125.73 2min h ASP 122 Ca 0.08 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 2min h ASP 122 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2min h ASP 122 CO -0.02 0.64 -0.57 0.40 -1.72 0.00 0.00 179.24 177.97 2min h ILE 123 N 0.00 1.32 0.07 0.35 1.08 -1.12 -1.68 117.51 117.53 2min h ILE 123 Ca -0.01 -1.83 -0.00 0.00 -0.39 0.00 0.00 64.86 62.63 2min h ILE 123 Cb 1.20 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 2min h ILE 123 CO 0.08 0.57 -0.03 0.58 -0.69 0.00 0.00 178.15 178.66 2min h VAL 124 N 0.44 0.00 0.00 1.67 2.07 -1.04 -3.38 116.25 116.01 2min h VAL 124 Ca 0.00 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 2min h VAL 124 Cb 1.13 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2min h VAL 124 CO 0.11 0.00 -0.59 -0.26 0.02 0.00 0.00 177.57 176.85 2min h PHE 125 N -0.81 0.00 0.00 1.57 -1.00 -0.85 -3.50 116.94 112.36 2min h PHE 125 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2min h PHE 125 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 2min h PHE 125 CO 0.00 0.59 0.00 0.41 -1.61 0.00 0.00 178.31 177.70 2min n GLY 126 N 0.95 2.72 0.89 -1.45 0.00 -0.63 -4.93 105.19 102.75 2min n GLY 126 Ca 0.01 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.23 2min n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 127 N 0.60 3.20 0.21 -0.02 0.00 -1.22 -4.64 105.19 103.31 2min n GLY 127 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2min n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2min h ASP 128 N 2.31 0.73 0.16 1.61 3.32 -1.93 -0.95 116.42 121.68 2min h ASP 128 Ca 0.00 -0.45 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 2min h ASP 128 Cb 1.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2min h ASP 128 CO 0.11 1.22 -0.45 0.11 -1.72 0.00 0.00 179.24 178.51 2min h LYS 129 N 0.45 0.35 -0.60 3.56 1.57 -1.97 -2.50 116.57 117.43 2min h LYS 129 Ca -0.03 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2min h LYS 129 Cb 1.28 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2min h LYS 129 CO 0.13 0.74 0.17 -0.22 -0.57 0.00 0.00 179.45 179.71 2min h LYS 130 N 0.29 0.95 -0.61 3.15 3.64 -1.81 -1.77 116.57 120.42 2min h LYS 130 Ca 0.02 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2min h LYS 130 Cb 0.91 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2min h LYS 130 CO 0.08 0.86 0.40 1.25 -2.27 0.00 0.00 179.45 179.76 2min h LEU 131 N 0.87 0.70 -0.24 5.20 6.46 -0.98 -0.19 115.31 127.12 2min h LEU 131 Ca 0.19 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2min h LEU 131 Cb 0.32 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2min h LEU 131 CO -0.00 0.51 0.11 0.00 -0.62 0.00 0.00 178.44 178.43 2min h ALA 132 N 1.22 0.32 -0.31 1.25 0.00 -1.20 -0.02 119.26 120.52 2min h ALA 132 Ca 0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2min h ALA 132 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2min h ALA 132 CO -0.05 -0.11 -0.15 -0.22 0.00 0.00 0.00 179.25 178.72 2min h LYS 133 N 0.25 0.55 -0.04 0.00 1.63 -1.07 -2.49 116.57 115.40 2min h LYS 133 Ca 0.08 -0.18 -0.18 0.00 -0.85 0.00 0.00 60.65 59.53 2min h LYS 133 Cb 0.14 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2min h LYS 133 CO -0.01 0.69 -0.74 1.37 -3.45 0.00 0.00 179.45 177.31 2min h LEU 134 N 0.50 0.33 -0.90 5.20 8.10 -0.81 -1.97 115.31 125.76 2min h LEU 134 Ca 0.09 -0.23 0.07 0.00 0.11 0.00 0.00 57.88 57.92 2min h LEU 134 Cb 0.56 -0.10 -0.06 0.00 -0.44 0.00 0.00 40.66 40.62 2min h LEU 134 CO 0.04 0.96 0.57 0.40 -4.11 0.00 0.00 178.44 176.29 2min h ILE 135 N 0.18 1.04 -0.43 0.15 2.04 -0.72 0.94 117.51 120.72 2min h ILE 135 Ca -0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2min h ILE 135 Cb 1.31 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2min h ILE 135 CO 0.12 0.19 0.11 0.44 0.00 0.00 0.00 178.15 179.00 2min h ASP 136 N 1.02 0.64 -0.53 1.72 3.32 -1.29 -2.07 116.42 119.23 2min h ASP 136 Ca 0.40 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2min h ASP 136 Cb 0.19 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2min h ASP 136 CO -0.18 0.71 0.35 -0.33 -1.72 0.00 0.00 179.24 178.07 2min h GLU 137 N 0.55 0.69 -0.54 3.56 5.08 -0.52 -1.13 114.58 122.27 2min h GLU 137 Ca 0.13 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2min h GLU 137 Cb 0.31 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2min h GLU 137 CO 0.00 0.46 0.16 0.28 -1.00 0.00 0.00 179.01 178.91 2min h VAL 138 N 0.71 1.23 -0.47 3.13 2.07 -0.59 -1.78 116.25 120.56 2min h VAL 138 Ca 0.20 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 2min h VAL 138 Cb -0.07 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2min h VAL 138 CO -0.04 0.29 -0.15 -0.33 0.02 0.00 0.00 177.57 177.36 2min h GLU 139 N 0.74 0.89 -0.12 1.57 4.39 -0.53 0.16 114.58 121.68 2min h GLU 139 Ca 0.17 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 2min h GLU 139 Cb 0.28 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2min h GLU 139 CO -0.00 0.98 -0.46 1.79 -1.16 0.00 0.00 179.01 180.16 2min h THR 140 N 0.79 1.36 0.00 1.13 1.35 -1.27 -3.28 112.91 113.00 2min h THR 140 Ca 0.12 -1.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.17 2min h THR 140 Cb 0.68 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2min h THR 140 CO 0.05 0.53 -0.52 -0.07 -0.25 0.00 0.00 175.52 175.26 2min h LEU 141 N 0.13 0.00 -5.90 3.87 3.38 -1.29 -3.37 115.31 112.13 2min h LEU 141 Ca -0.02 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.39 2min h LEU 141 Cb 1.09 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.44 2min h LEU 141 CO 0.10 0.20 -0.89 0.49 0.09 0.00 0.00 178.44 178.43 2min n PHE 142 N -3.02 1.81 -0.11 1.13 3.72 0.55 -4.98 117.46 116.57 2min n PHE 142 Ca 0.01 -3.88 0.11 0.00 -0.05 0.00 0.00 57.45 53.64 2min n PHE 142 Cb 0.63 -0.45 0.46 0.00 -0.94 0.00 0.00 39.48 39.18 2min n PHE 142 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2min h PRO 143 N 3.60 0.48 0.00 -1.08 0.13 -1.74 -2.00 132.00 131.39 2min h PRO 143 Ca 0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2min h PRO 143 Cb 0.76 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2min h PRO 143 CO 0.65 0.32 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 2min n LEU 144 N -4.48 0.00 -4.76 1.56 4.32 -1.26 -4.84 117.00 107.54 2min n LEU 144 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.72 2min n LEU 144 Cb 0.34 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.15 2min n LEU 144 CO 0.34 0.00 0.87 0.54 -1.22 0.00 0.00 177.39 177.92 2min s ASN 145 N -1.85 5.76 -0.23 -1.43 2.20 -0.75 -4.84 114.94 113.80 2min s ASN 145 Ca 0.32 2.45 0.13 0.00 -0.94 0.00 0.00 52.86 54.82 2min s ASN 145 Cb 0.15 -2.61 0.50 0.00 -2.00 0.00 0.00 41.25 37.29 2min s ASN 145 CO 0.24 -1.21 1.43 0.29 -2.94 0.00 0.00 177.10 174.91 2min n LYS 146 N -0.82 2.31 0.00 3.55 4.76 0.15 -5.02 118.16 123.09 2min n LYS 146 Ca 0.09 -2.98 0.00 0.00 -2.87 0.00 0.00 58.31 52.55 2min n LYS 146 Cb 0.47 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2min n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2min n GLY 147 N -0.86 4.14 3.05 0.72 0.00 -1.26 -4.74 105.19 106.24 2min n GLY 147 Ca 0.27 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 2min n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2min s ILE 148 N -2.00 0.76 0.07 -0.61 1.01 -0.26 -1.07 121.20 119.10 2min s ILE 148 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.09 2min s ILE 148 Cb 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 2min s ILE 148 CO 0.00 0.06 -0.19 -0.94 0.00 0.00 0.00 174.94 173.86 2min s SER 149 N -0.64 2.32 -0.25 3.58 1.04 0.10 -1.00 113.70 118.85 2min s SER 149 Ca 0.01 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.86 2min s SER 149 Cb -0.05 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 65.96 2min s SER 149 CO 0.00 0.08 -0.11 0.54 0.98 0.00 0.00 173.24 174.73 2min s VAL 150 N -1.01 2.32 -0.42 5.02 0.11 -0.24 -0.44 120.40 125.74 2min s VAL 150 Ca 0.05 -1.40 -0.19 0.00 -2.93 0.00 0.00 61.98 57.52 2min s VAL 150 Cb -0.09 -2.26 0.02 0.00 -1.53 0.00 0.00 36.38 32.51 2min s VAL 150 CO 0.03 0.11 0.54 -1.10 -3.33 0.00 0.00 175.10 171.34 2min s GLN 151 N 1.18 3.27 -0.00 1.54 -1.52 0.15 -0.77 119.66 123.51 2min s GLN 151 Ca -0.05 -0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 52.57 2min s GLN 151 Cb -0.18 -3.93 -0.04 0.00 -0.22 0.00 0.00 33.01 28.64 2min s GLN 151 CO -0.06 -0.88 1.10 -1.12 -0.25 0.00 0.00 175.29 174.08 2min s SER 152 N 1.89 7.19 0.54 5.90 0.01 -0.61 -1.10 113.70 127.52 2min s SER 152 Ca 0.18 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.24 2min s SER 152 Cb -0.15 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.53 2min s SER 152 CO 0.16 -0.42 0.77 -1.61 0.41 0.00 0.00 173.24 172.55 2min s GLU 153 N 1.37 2.62 0.19 12.44 2.02 -0.53 -2.30 118.70 134.52 2min s GLU 153 Ca 0.55 -0.70 -0.18 0.00 0.02 0.00 0.00 54.97 54.65 2min s GLU 153 Cb -0.24 -2.48 0.15 0.00 0.10 0.00 0.00 34.13 31.65 2min s GLU 153 CO 0.26 -0.66 1.37 0.00 0.02 0.00 0.00 175.26 176.25 2min h PRO 155 N 0.00 0.30 -0.80 0.00 0.11 -1.95 -3.26 132.00 126.40 2min h PRO 155 Ca 0.27 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.47 2min h PRO 155 Cb 0.49 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.45 2min h PRO 155 CO -0.87 0.20 0.42 0.82 -0.21 0.00 0.00 178.00 178.36 2min h ILE 156 N 0.31 0.83 0.20 4.15 1.08 -1.80 0.25 117.51 122.53 2min h ILE 156 Ca 0.36 -0.23 -0.28 0.00 -0.39 0.00 0.00 64.86 64.32 2min h ILE 156 Cb 0.97 0.09 0.03 0.00 -3.07 0.00 0.00 36.82 34.85 2min h ILE 156 CO -0.10 0.12 -1.21 1.23 -0.69 0.00 0.00 178.15 177.50 2min h GLY 157 N 0.68 0.54 0.81 5.37 0.00 -1.80 -2.46 103.07 106.20 2min h GLY 157 Ca 0.40 -1.33 0.04 0.00 0.00 0.00 0.00 47.33 46.44 2min h GLY 157 CO -0.29 1.16 0.35 1.41 0.00 0.00 0.00 176.54 179.18 2min h LEU 158 N -0.02 0.56 -0.69 3.11 3.38 -1.59 -1.99 115.31 118.07 2min h LEU 158 Ca -0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2min h LEU 158 Cb 1.95 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2min h LEU 158 CO 0.23 0.38 0.00 -0.29 0.09 0.00 0.00 178.44 178.85 2min h ILE 159 N 0.69 0.00 -0.32 1.22 2.10 -1.05 -3.47 117.51 116.67 2min h ILE 159 Ca 0.25 -0.27 -0.02 0.00 1.08 0.00 0.00 64.86 65.90 2min h ILE 159 Cb 0.07 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 2min h ILE 159 CO -0.13 0.00 -0.03 0.61 -1.08 0.00 0.00 178.15 177.53 2min n GLY 160 N 0.11 0.43 3.84 8.18 0.00 -0.75 -4.98 105.19 112.02 2min n GLY 160 Ca 0.02 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2min n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2min s ASP 161 N -2.97 6.70 -0.42 1.61 1.01 -0.93 -5.03 116.67 116.65 2min s ASP 161 Ca 0.00 1.57 0.02 0.00 0.71 0.00 0.00 52.55 54.86 2min s ASP 161 Cb -0.00 -2.50 0.12 0.00 1.01 0.00 0.00 42.92 41.54 2min s ASP 161 CO 0.01 -0.51 0.18 -0.62 0.21 0.00 0.00 175.17 174.44 2min s ASP 162 N -2.83 4.11 0.52 0.27 2.15 -1.26 -4.85 116.67 114.79 2min s ASP 162 Ca 0.59 -2.47 0.30 0.00 0.43 0.00 0.00 52.55 51.40 2min s ASP 162 Cb -0.10 -1.29 1.39 0.00 -0.30 0.00 0.00 42.92 42.63 2min s ASP 162 CO 0.26 -0.30 2.02 0.16 -0.17 0.00 0.00 175.17 177.13 2min h ILE 163 N 5.79 0.35 -0.27 4.11 3.07 -1.95 -2.73 117.51 125.87 2min h ILE 163 Ca -0.06 -0.63 -0.00 0.00 1.55 0.00 0.00 64.86 65.72 2min h ILE 163 Cb 0.95 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 2min h ILE 163 CO 0.54 0.10 0.15 -0.33 -1.05 0.00 0.00 178.15 177.57 2min h GLU 164 N 0.00 0.38 -0.34 0.16 3.07 -1.95 -0.10 114.58 115.81 2min h GLU 164 Ca -0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2min h GLU 164 Cb 0.46 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 2min h GLU 164 CO 0.01 0.33 0.21 0.77 -1.40 0.00 0.00 179.01 178.93 2min h SER 165 N 0.33 0.41 -0.42 1.42 0.02 -1.92 -0.47 113.55 112.92 2min h SER 165 Ca 0.10 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2min h SER 165 Cb 0.06 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2min h SER 165 CO -0.02 0.33 0.21 0.58 -1.14 0.00 0.00 176.83 176.80 2min h VAL 166 N 0.44 1.17 -0.39 2.27 2.07 -1.43 -1.09 116.25 119.29 2min h VAL 166 Ca 0.12 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2min h VAL 166 Cb 0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2min h VAL 166 CO -0.02 0.18 0.21 0.28 0.02 0.00 0.00 177.57 178.24 2min h SER 167 N 0.54 0.50 0.11 0.57 0.02 -0.55 -0.30 113.55 114.44 2min h SER 167 Ca 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2min h SER 167 Cb 0.10 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2min h SER 167 CO -0.02 0.46 -0.05 0.11 -1.14 0.00 0.00 176.83 176.18 2min h LYS 168 N 0.50 -0.14 0.65 3.45 1.57 -0.89 0.19 116.57 121.89 2min h LYS 168 Ca 0.14 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2min h LYS 168 Cb 0.08 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2min h LYS 168 CO -0.02 0.06 -0.31 0.28 -0.57 0.00 0.00 179.45 178.88 2min h VAL 169 N -0.31 0.36 -0.17 0.50 2.07 -1.08 -0.28 116.25 117.34 2min h VAL 169 Ca -0.01 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2min h VAL 169 Cb 0.26 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2min h VAL 169 CO 0.02 0.00 -0.26 0.11 0.02 0.00 0.00 177.57 177.46 2min h LYS 170 N -0.87 0.31 0.08 1.57 1.79 -1.11 -0.69 116.57 117.65 2min h LYS 170 Ca -0.09 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2min h LYS 170 Cb 0.67 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2min h LYS 170 CO 0.15 0.56 -0.06 0.78 -1.08 0.00 0.00 179.45 179.79 2min h GLY 171 N 1.00 -0.14 0.87 3.86 0.00 -0.40 -0.81 103.07 107.45 2min h GLY 171 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2min h GLY 171 CO 0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 176.54 176.34 2min h ALA 172 N 0.76 -0.41 -0.93 3.60 0.00 -0.86 0.26 119.26 121.68 2min h ALA 172 Ca -0.00 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2min h ALA 172 Cb 0.14 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2min h ALA 172 CO -0.00 -0.75 0.55 1.49 0.00 0.00 0.00 179.25 180.54 2min h GLU 173 N -0.43 0.78 -0.29 0.00 4.81 -0.97 -2.61 114.58 115.87 2min h GLU 173 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2min h GLU 173 Cb 0.37 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2min h GLU 173 CO 0.01 0.52 0.00 1.28 -0.73 0.00 0.00 179.01 180.08 2min n LEU 174 N -4.74 3.12 -3.96 1.64 4.77 -0.32 -4.97 117.00 112.54 2min n LEU 174 Ca 0.19 -1.43 -0.30 0.00 -0.03 0.00 0.00 56.01 54.43 2min n LEU 174 Cb 0.41 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2min n LEU 174 CO 0.24 0.66 0.03 -1.20 -1.33 0.00 0.00 177.39 175.80 2min n SER 175 N 1.23 -3.73 -4.38 -1.43 7.64 0.76 -4.99 113.62 108.72 2min n SER 175 Ca 0.16 -0.85 -0.30 0.00 1.01 0.00 0.00 58.87 58.89 2min n SER 175 Cb 0.53 -3.61 -0.14 0.00 -1.01 0.00 0.00 64.21 59.98 2min n SER 175 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2min s LYS 176 N -6.60 1.69 -0.31 1.43 -0.14 -0.29 -5.03 119.74 110.48 2min s LYS 176 Ca 0.55 -1.19 -0.28 0.00 -1.36 0.00 0.00 55.97 53.70 2min s LYS 176 Cb -0.28 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 33.91 2min s LYS 176 CO 0.85 0.49 1.02 0.99 -0.76 0.00 0.00 175.35 177.94 2min s THR 177 N -0.92 4.57 -0.16 2.17 2.01 -1.26 -4.41 115.64 117.64 2min s THR 177 Ca 0.13 1.65 0.00 0.00 0.31 0.00 0.00 61.69 63.78 2min s THR 177 Cb -0.10 -4.36 0.03 0.00 0.01 0.00 0.00 72.50 68.08 2min s THR 177 CO 0.04 -0.42 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.82 2min s ILE 178 N 3.50 1.39 -0.34 1.82 1.01 -1.25 -1.11 121.20 126.21 2min s ILE 178 Ca 0.43 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 2min s ILE 178 Cb -0.13 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2min s ILE 178 CO 0.14 0.27 0.23 -0.69 0.00 0.00 0.00 174.94 174.90 2min s VAL 179 N 1.53 5.17 0.01 2.92 1.01 -0.17 -4.73 120.40 126.15 2min s VAL 179 Ca 0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 2min s VAL 179 Cb -0.14 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2min s VAL 179 CO -0.09 -0.03 1.10 -2.16 0.00 0.00 0.00 175.10 173.91 2min s PRO 180 N 1.70 4.48 -0.20 2.72 0.04 -1.26 -1.08 135.00 141.39 2min s PRO 180 Ca 0.06 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2min s PRO 180 Cb -0.18 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.98 2min s PRO 180 CO 0.10 -0.19 -0.10 0.08 0.04 0.00 0.00 177.00 176.92 2min s VAL 181 N 1.22 1.67 -1.32 -0.36 1.01 0.05 -4.91 120.40 117.75 2min s VAL 181 Ca 0.55 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2min s VAL 181 Cb -0.25 -1.76 0.14 0.00 0.00 0.00 0.00 36.38 34.51 2min s VAL 181 CO 0.27 0.14 2.03 0.54 0.00 0.00 0.00 175.10 178.09 2min n ARG 182 N 4.67 3.67 -1.31 2.72 5.12 -1.26 -1.57 116.66 128.69 2min n ARG 182 Ca -0.14 -3.36 -0.27 0.00 -1.93 0.00 0.00 57.85 52.15 2min n ARG 182 Cb 0.46 -2.92 0.12 0.00 -1.16 0.00 0.00 32.46 28.96 2min n ARG 182 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2min n GLU 184 N -0.99 2.11 0.18 0.00 4.71 -0.97 -1.28 120.64 124.40 2min n GLU 184 Ca 0.57 0.75 0.12 0.00 -0.01 0.00 0.00 57.16 58.59 2min n GLU 184 Cb 1.05 -2.42 0.63 0.00 -1.01 0.00 0.00 31.44 29.69 2min n GLU 184 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2min h GLY 185 N 4.20 0.00 1.61 0.62 0.00 -1.84 -0.58 103.07 107.08 2min h GLY 185 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2min h GLY 185 CO 0.75 0.00 -0.22 1.97 0.00 0.00 0.00 176.54 179.04 2min n PHE 186 N -2.32 0.22 -2.66 5.60 1.16 -1.26 -4.22 117.46 113.97 2min n PHE 186 Ca -0.02 0.06 -0.37 0.00 -1.87 0.00 0.00 57.45 55.26 2min n PHE 186 Cb 0.07 -0.52 -0.05 0.00 -1.61 0.00 0.00 39.48 37.37 2min n PHE 186 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2min s ARG 187 N -3.04 4.43 2.47 3.97 0.52 -0.22 -4.86 118.95 122.21 2min s ARG 187 Ca 0.12 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 2min s ARG 187 Cb 0.17 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2min s ARG 187 CO 0.61 0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.46 2min n GLY 188 N 0.52 -0.30 0.00 -3.53 0.00 -1.26 -4.26 105.19 96.36 2min n GLY 188 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2min n GLY 188 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2min n VAL 189 N -0.04 0.00 -3.60 1.61 0.24 -1.26 -5.04 118.33 110.24 2min n VAL 189 Ca 0.00 -0.32 -0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2min n VAL 189 Cb 0.00 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 2min n VAL 189 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2min n SER 190 N -0.06 -0.13 0.24 -1.34 3.41 -1.26 -4.70 113.62 109.77 2min n SER 190 Ca 0.00 -1.06 0.17 0.00 -0.26 0.00 0.00 58.87 57.72 2min n SER 190 Cb 0.08 0.22 0.87 0.00 -0.26 0.00 0.00 64.21 65.11 2min n SER 190 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2min h GLN 191 N 0.00 0.00 -0.36 4.33 7.50 -1.62 -3.12 115.11 121.83 2min h GLN 191 Ca -0.02 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.18 2min h GLN 191 Cb 0.10 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.59 2min h GLN 191 CO 0.03 0.00 0.09 1.03 -1.50 0.00 0.00 178.83 178.48 2min h SER 192 N 0.00 0.05 0.69 1.46 0.87 -1.86 -2.31 113.55 112.46 2min h SER 192 Ca 0.06 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2min h SER 192 Cb 0.35 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2min h SER 192 CO -0.00 0.06 -0.24 0.25 -0.53 0.00 0.00 176.83 176.37 2min h LEU 193 N 0.22 0.00 -1.35 2.23 5.85 -1.89 -1.62 115.31 118.75 2min h LEU 193 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2min h LEU 193 Cb 0.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2min h LEU 193 CO -0.21 0.24 0.37 1.23 -0.34 0.00 0.00 178.44 179.74 2min h GLY 194 N 1.63 0.87 0.99 3.75 0.00 -1.55 0.93 103.07 109.68 2min h GLY 194 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2min h GLY 194 CO 0.03 0.33 0.05 0.45 0.00 0.00 0.00 176.54 177.40 2min h HIS 195 N 0.83 0.09 -0.41 5.60 3.86 -1.11 -0.30 115.15 123.70 2min h HIS 195 Ca 0.22 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2min h HIS 195 Cb -0.05 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2min h HIS 195 CO 0.00 0.07 0.23 1.25 0.86 0.00 0.00 177.93 180.35 2min h HIS 196 N 0.08 0.56 -0.83 2.45 6.17 -1.26 0.21 115.15 122.53 2min h HIS 196 Ca 0.03 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 2min h HIS 196 Cb 0.01 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 29.72 2min h HIS 196 CO -0.07 0.42 0.48 0.82 0.71 0.00 0.00 177.93 180.30 2min h ILE 197 N 0.54 1.24 -0.43 6.26 2.04 -0.80 -1.60 117.51 124.75 2min h ILE 197 Ca 0.15 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 2min h ILE 197 Cb 0.04 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2min h ILE 197 CO -0.02 0.26 -0.21 0.00 0.00 0.00 0.00 178.15 178.17 2min h ALA 198 N 1.26 0.80 -0.23 1.87 0.00 -0.42 -0.45 119.26 122.10 2min h ALA 198 Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2min h ALA 198 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2min h ALA 198 CO -0.05 0.65 -0.04 -0.91 0.00 0.00 0.00 179.25 178.90 2min h ASN 199 N 0.75 0.43 0.04 0.00 -0.26 -0.39 -1.93 115.58 114.22 2min h ASN 199 Ca 0.10 -0.35 -0.05 0.00 -0.56 0.00 0.00 56.30 55.44 2min h ASN 199 Cb 0.75 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 2min h ASN 199 CO 0.06 0.69 -0.13 0.44 -1.06 0.00 0.00 177.43 177.43 2min h ASP 200 N 0.17 0.19 -0.35 5.81 5.19 -1.16 -0.84 116.42 125.43 2min h ASP 200 Ca 0.06 -0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 2min h ASP 200 Cb 0.49 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2min h ASP 200 CO 0.02 0.35 -0.39 0.00 -3.12 0.00 0.00 179.24 176.10 2min h ALA 201 N 1.68 0.60 -0.17 3.45 0.00 -0.87 -1.10 119.26 122.86 2min h ALA 201 Ca 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2min h ALA 201 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2min h ALA 201 CO 0.02 0.68 0.10 0.28 0.00 0.00 0.00 179.25 180.32 2min h VAL 202 N 0.74 1.09 0.11 0.00 2.07 -0.85 -1.56 116.25 117.84 2min h VAL 202 Ca 0.06 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2min h VAL 202 Cb 0.98 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2min h VAL 202 CO 0.09 0.08 -0.41 -0.09 0.02 0.00 0.00 177.57 177.27 2min h ARG 203 N 0.18 -0.61 0.00 1.57 1.12 -1.02 0.72 114.38 116.33 2min h ARG 203 Ca 0.06 0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.88 2min h ARG 203 Cb 0.05 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 2min h ARG 203 CO -0.01 -0.41 -0.42 -0.44 -3.11 0.00 0.00 179.97 175.58 2min h ASP 204 N -0.64 0.00 0.00 -3.80 3.32 -1.19 -3.35 116.42 110.76 2min h ASP 204 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2min h ASP 204 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2min h ASP 204 CO -0.24 0.42 -0.49 0.79 -1.72 0.00 0.00 179.24 178.00 2min n TRP 205 N -3.61 0.00 0.00 4.55 7.02 -0.59 -4.92 117.44 119.89 2min n TRP 205 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2min n TRP 205 Cb 0.52 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 2min n TRP 205 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2min n VAL 206 N -1.24 0.00 0.29 -0.99 0.31 0.07 -4.88 118.33 111.88 2min n VAL 206 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2min n VAL 206 Cb 0.00 -1.20 0.90 0.00 -0.91 0.00 0.00 33.84 32.63 2min n VAL 206 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2min h LEU 207 N 0.00 0.00 -1.11 7.52 5.85 -1.20 -2.37 115.31 124.00 2min h LEU 207 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2min h LEU 207 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2min h LEU 207 CO 0.00 0.00 -0.05 0.61 -0.34 0.00 0.00 178.44 178.66 2min n GLY 208 N -1.34 0.14 0.32 3.75 0.00 -1.26 -4.47 105.19 102.33 2min n GLY 208 Ca -0.02 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2min n GLY 208 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2min h LYS 209 N 2.72 0.02 -0.43 1.61 3.64 -1.76 -2.32 116.57 120.05 2min h LYS 209 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2min h LYS 209 Cb 0.61 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 2min h LYS 209 CO 0.00 0.02 0.06 0.54 -2.27 0.00 0.00 179.45 177.80 2min n ARG 210 N -4.47 2.58 -0.11 1.90 5.12 -1.26 -4.71 116.66 115.71 2min n ARG 210 Ca 0.03 -3.03 -0.04 0.00 -1.93 0.00 0.00 57.85 52.88 2min n ARG 210 Cb 0.32 -1.92 0.16 0.00 -1.16 0.00 0.00 32.46 29.86 2min n ARG 210 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2min h ASP 211 N 1.56 0.77 -0.13 0.55 3.32 -1.71 -1.99 116.42 118.78 2min h ASP 211 Ca 0.18 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2min h ASP 211 Cb 1.78 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.12 2min h ASP 211 CO 0.43 0.83 0.00 -1.84 -1.72 0.00 0.00 179.24 176.94 2min n GLU 212 N -4.22 1.85 -3.11 3.56 0.28 -1.26 -4.88 120.64 112.86 2min n GLU 212 Ca 0.03 -1.26 -0.40 0.00 -0.16 0.00 0.00 57.16 55.37 2min n GLU 212 Cb 0.30 -1.44 -0.06 0.00 1.43 0.00 0.00 31.44 31.67 2min n GLU 212 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2min s ASP 213 N -1.73 6.74 -0.05 -1.84 -1.08 -0.75 -4.96 116.67 113.00 2min s ASP 213 Ca 0.34 0.90 0.08 0.00 -0.52 0.00 0.00 52.55 53.35 2min s ASP 213 Cb 0.19 -2.36 0.16 0.00 -1.46 0.00 0.00 42.92 39.45 2min s ASP 213 CO 0.29 -0.24 1.10 0.35 0.52 0.00 0.00 175.17 177.20 2min n THR 214 N 4.50 1.34 0.59 1.71 -2.24 -1.26 -4.73 114.28 114.19 2min n THR 214 Ca -0.01 -1.42 0.13 0.00 -2.27 0.00 0.00 64.05 60.47 2min n THR 214 Cb 0.50 0.24 0.44 0.00 -2.10 0.00 0.00 70.33 69.41 2min n THR 214 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2min n THR 215 N -0.64 0.63 -2.14 4.28 -2.24 -1.26 -4.77 114.28 108.14 2min n THR 215 Ca 0.07 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 2min n THR 215 Cb 0.43 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 2min n THR 215 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2min s PHE 216 N -3.15 2.24 -0.46 4.78 5.36 -1.26 -4.94 117.98 120.55 2min s PHE 216 Ca 0.09 0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 56.28 2min s PHE 216 Cb 0.12 -3.82 0.03 0.00 -0.34 0.00 0.00 43.02 39.01 2min s PHE 216 CO 0.53 -3.08 1.00 0.00 -1.46 0.00 0.00 175.22 172.21 2min s ALA 217 N 4.12 3.22 0.59 11.12 0.00 -1.26 -5.01 121.76 134.53 2min s ALA 217 Ca 0.68 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 2min s ALA 217 Cb -0.28 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 2min s ALA 217 CO 0.25 -2.11 0.95 -1.54 0.00 0.00 0.00 175.76 173.32 2min s SER 218 N 2.32 6.04 0.18 0.00 1.04 -1.26 -5.11 113.70 116.90 2min s SER 218 Ca 0.41 1.14 0.05 0.00 0.48 0.00 0.00 55.95 58.03 2min s SER 218 Cb -0.09 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 2min s SER 218 CO 0.28 -0.88 -0.08 0.42 0.98 0.00 0.00 173.24 173.96 2min s THR 219 N -3.06 1.20 -1.34 2.02 -4.23 -1.26 -5.03 115.64 103.94 2min s THR 219 Ca 0.53 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2min s THR 219 Cb -0.11 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2min s THR 219 CO 0.50 -0.60 0.85 -0.81 -0.54 0.00 0.00 174.62 174.01 2min n PRO 220 N -0.29 0.01 -0.21 3.99 -0.04 -1.26 -3.10 135.00 134.09 2min n PRO 220 Ca -0.08 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2min n PRO 220 Cb 0.62 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.73 2min n PRO 220 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2min n TYR 221 N -1.33 0.46 -2.44 0.54 4.01 -1.26 -4.94 117.16 112.20 2min n TYR 221 Ca 0.00 -0.70 -0.42 0.00 -0.16 0.00 0.00 57.90 56.63 2min n TYR 221 Cb 0.00 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 2min n TYR 221 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2min s ASP 222 N -1.58 7.13 0.17 7.72 1.01 -1.18 -0.76 116.67 129.18 2min s ASP 222 Ca 0.26 2.06 -0.01 0.00 0.71 0.00 0.00 52.55 55.57 2min s ASP 222 Cb 0.19 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 2min s ASP 222 CO 0.09 -0.40 0.10 0.54 0.21 0.00 0.00 175.17 175.71 2min s VAL 223 N 0.61 0.08 -0.04 -1.27 0.11 0.61 -0.85 120.40 119.65 2min s VAL 223 Ca 0.56 -1.96 -0.03 0.00 -2.93 0.00 0.00 61.98 57.61 2min s VAL 223 Cb -0.30 -2.32 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 2min s VAL 223 CO 0.32 -0.20 0.11 0.00 -3.33 0.00 0.00 175.10 172.00 2min s ALA 224 N -4.09 -0.24 -0.22 1.54 0.00 -1.03 -0.50 121.76 117.22 2min s ALA 224 Ca 0.33 0.39 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 2min s ALA 224 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 2min s ALA 224 CO 0.08 -0.08 0.88 0.42 0.00 0.00 0.00 175.76 177.06 2min s ILE 225 N 0.38 4.81 -0.23 0.00 1.01 0.20 -1.43 121.20 125.93 2min s ILE 225 Ca -0.03 1.69 -0.06 0.00 0.00 0.00 0.00 60.65 62.26 2min s ILE 225 Cb -0.04 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2min s ILE 225 CO -0.01 -0.07 0.02 -0.63 0.00 0.00 0.00 174.94 174.24 2min s ILE 226 N 2.74 3.87 -0.07 2.92 -1.09 0.20 -0.82 121.20 128.96 2min s ILE 226 Ca 0.38 -0.32 -0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2min s ILE 226 Cb -0.16 -2.79 -0.00 0.00 -1.58 0.00 0.00 42.46 37.93 2min s ILE 226 CO 0.08 0.38 0.06 0.61 -1.23 0.00 0.00 174.94 174.85 2min n GLY 227 N 4.83 0.54 2.75 6.18 0.00 -1.23 -0.98 105.19 117.29 2min n GLY 227 Ca -0.17 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 2min n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2min s ASP 228 N -3.06 1.18 -0.10 1.61 -1.08 -1.19 -1.31 116.67 112.71 2min s ASP 228 Ca 0.01 0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.26 2min s ASP 228 Cb -0.00 0.10 0.65 0.00 -1.46 0.00 0.00 42.92 42.21 2min s ASP 228 CO 0.05 -0.27 1.54 -1.22 0.52 0.00 0.00 175.17 175.79 2min n TYR 229 N 5.31 1.36 -3.79 -5.34 4.01 -1.26 -2.51 117.16 114.94 2min n TYR 229 Ca -0.05 -0.54 -0.25 0.00 -0.16 0.00 0.00 57.90 56.91 2min n TYR 229 Cb 0.50 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2min n TYR 229 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2min n ASN 230 N 0.99 -2.27 -4.64 7.72 5.15 -1.26 -4.09 115.26 116.86 2min n ASN 230 Ca 0.23 -0.82 -0.42 0.00 -0.60 0.00 0.00 54.58 52.96 2min n ASN 230 Cb 0.82 -3.91 -0.03 0.00 -0.53 0.00 0.00 39.78 36.13 2min n ASN 230 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2min s ILE 231 N -3.57 3.44 -1.52 -1.44 -1.09 -1.25 -1.40 121.20 114.37 2min s ILE 231 Ca 0.22 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 2min s ILE 231 Cb -0.11 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2min s ILE 231 CO 0.82 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 175.03 2min n GLY 232 N 4.57 1.47 0.75 6.18 0.00 -0.80 -1.78 105.19 115.58 2min n GLY 232 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2min n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 233 N -0.98 0.81 0.41 -0.02 0.00 -0.49 -2.47 105.19 102.45 2min n GLY 233 Ca -0.14 -0.05 0.23 0.00 0.00 0.00 0.00 46.02 46.06 2min n GLY 233 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2min h ASP 234 N 0.00 0.44 1.03 1.61 3.32 -1.44 0.10 116.42 121.48 2min h ASP 234 Ca 0.00 0.09 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 2min h ASP 234 Cb 0.00 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2min h ASP 234 CO 0.00 0.08 -0.85 0.00 -1.72 0.00 0.00 179.24 176.75 2min h ALA 235 N 1.62 0.50 -0.40 3.45 0.00 -1.87 -3.08 119.26 119.48 2min h ALA 235 Ca 0.60 -0.77 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2min h ALA 235 Cb 1.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2min h ALA 235 CO -0.30 1.06 -0.18 -1.49 0.00 0.00 0.00 179.25 178.34 2min h TRP 236 N 0.00 0.96 0.00 0.00 6.55 -1.20 0.17 115.95 122.43 2min h TRP 236 Ca -0.01 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.60 2min h TRP 236 Cb 1.60 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 29.67 2min h TRP 236 CO 0.00 1.00 0.00 0.43 -1.05 0.00 0.00 178.44 178.82 2min n SER 237 N -4.24 0.16 -0.12 -3.49 7.64 -0.88 -2.24 113.62 110.45 2min n SER 237 Ca -0.01 0.54 -0.25 0.00 1.01 0.00 0.00 58.87 60.16 2min n SER 237 Cb 0.42 -0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 2min n SER 237 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2min n SER 238 N -1.68 1.91 -0.17 6.43 7.64 -0.89 -4.23 113.62 122.63 2min n SER 238 Ca 0.03 0.38 -0.02 0.00 1.01 0.00 0.00 58.87 60.27 2min n SER 238 Cb 0.16 -0.87 0.05 0.00 -1.01 0.00 0.00 64.21 62.53 2min n SER 238 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2min h ARG 239 N -1.00 0.03 -0.95 1.43 2.43 -0.55 -1.29 114.38 114.47 2min h ARG 239 Ca -0.51 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 58.78 2min h ARG 239 Cb 1.42 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.89 2min h ARG 239 CO -0.31 0.02 0.60 0.97 -1.51 0.00 0.00 179.97 179.75 2min h ILE 240 N 0.03 0.90 -0.08 1.20 2.10 -1.70 -0.90 117.51 119.06 2min h ILE 240 Ca 0.26 -0.30 -0.03 0.00 1.08 0.00 0.00 64.86 65.86 2min h ILE 240 Cb 0.39 -0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.07 2min h ILE 240 CO -0.51 0.16 -0.07 -0.07 -1.08 0.00 0.00 178.15 176.58 2min h LEU 241 N 0.88 0.20 -0.72 2.19 3.38 -1.46 -0.29 115.31 119.48 2min h LEU 241 Ca 0.47 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2min h LEU 241 Cb 0.55 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2min h LEU 241 CO -0.23 0.64 0.45 -0.07 0.09 0.00 0.00 178.44 179.31 2min h LEU 242 N -0.24 0.72 -0.68 1.67 3.38 -1.18 -1.23 115.31 117.76 2min h LEU 242 Ca 0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2min h LEU 242 Cb 0.58 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2min h LEU 242 CO 0.02 0.49 -0.65 -0.33 0.09 0.00 0.00 178.44 178.05 2min h GLU 243 N 0.86 0.00 0.00 1.13 5.08 -1.12 -1.94 114.58 118.59 2min h GLU 243 Ca 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2min h GLU 243 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2min h GLU 243 CO -0.13 0.65 -0.19 0.93 -1.00 0.00 0.00 179.01 179.27 2min h GLU 244 N 0.00 0.00 -0.01 2.33 5.08 -0.51 0.13 114.58 121.60 2min h GLU 244 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2min h GLU 244 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2min h GLU 244 CO 0.09 0.19 0.00 -0.12 -1.00 0.00 0.00 179.01 178.17 2min n MET 245 N -3.97 1.03 -0.74 2.33 1.56 -0.51 -4.86 117.12 111.96 2min n MET 245 Ca -0.02 -0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 2min n MET 245 Cb 0.28 -1.05 0.00 0.00 2.15 0.00 0.00 33.22 34.60 2min n MET 245 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2min n GLY 246 N 0.56 0.79 3.90 -5.12 0.00 0.03 -4.63 105.19 100.72 2min n GLY 246 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2min n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2min s LEU 247 N 0.00 3.51 -0.28 0.99 1.43 -0.91 -4.90 118.68 118.53 2min s LEU 247 Ca 0.00 0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2min s LEU 247 Cb 0.00 -3.92 0.03 0.00 0.03 0.00 0.00 46.19 42.33 2min s LEU 247 CO 0.00 -0.70 -0.01 -0.60 0.23 0.00 0.00 176.35 175.27 2min s ARG 248 N -4.85 2.73 -0.53 1.70 3.52 0.06 -4.21 118.95 117.38 2min s ARG 248 Ca 0.50 -1.06 -0.24 0.00 -0.13 0.00 0.00 55.73 54.80 2min s ARG 248 Cb -0.10 -3.12 0.04 0.00 -1.56 0.00 0.00 34.95 30.20 2min s ARG 248 CO 0.46 -0.49 0.90 0.00 -0.81 0.00 0.00 175.30 175.36 2min h VAL 250 N 6.01 1.52 -4.03 0.00 2.07 -1.17 -3.47 116.25 117.18 2min h VAL 250 Ca -0.26 -2.62 -0.13 0.00 0.82 0.00 0.00 66.70 64.51 2min h VAL 250 Cb 1.08 2.43 -0.17 0.00 -1.52 0.00 0.00 31.29 33.11 2min h VAL 250 CO 1.06 0.76 -0.62 0.00 0.02 0.00 0.00 177.57 178.78 2min s ALA 251 N -3.24 0.21 -0.21 1.67 0.00 -1.25 -4.78 121.76 114.16 2min s ALA 251 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2min s ALA 251 Cb 0.11 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.53 2min s ALA 251 CO 0.81 -0.31 -0.03 -0.65 0.00 0.00 0.00 175.76 175.57 2min s GLN 252 N -2.93 1.38 -0.64 0.00 -0.21 -1.26 -0.63 119.66 115.38 2min s GLN 252 Ca -0.02 -0.79 -0.22 0.00 0.02 0.00 0.00 55.36 54.36 2min s GLN 252 Cb 0.01 -2.39 0.08 0.00 1.00 0.00 0.00 33.01 31.71 2min s GLN 252 CO -0.06 -0.58 0.89 -1.58 -2.12 0.00 0.00 175.29 171.84 2min s TRP 253 N 1.54 2.76 0.00 0.91 0.52 -0.00 -4.19 118.94 120.47 2min s TRP 253 Ca -0.04 -0.65 0.00 0.00 0.02 0.00 0.00 56.10 55.44 2min s TRP 253 Cb -0.18 -4.21 0.00 0.00 -1.15 0.00 0.00 33.47 27.93 2min s TRP 253 CO -0.07 -1.55 0.00 0.43 0.02 0.00 0.00 176.95 175.78 2min n SER 254 N 7.34 0.00 -4.66 2.95 7.64 -1.26 -3.17 113.62 122.46 2min n SER 254 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 2min n SER 254 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2min n SER 254 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2min s GLY 255 N 0.00 1.46 -1.74 0.23 0.00 -1.04 -0.64 107.32 105.59 2min s GLY 255 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.00 2min s GLY 255 CO 0.00 3.42 0.00 1.34 0.00 0.00 0.00 173.10 177.86 2min n ASP 256 N 7.50 -5.15 -4.83 1.64 2.03 -0.95 -4.72 116.55 112.07 2min n ASP 256 Ca 0.20 0.22 -0.33 0.00 0.52 0.00 0.00 54.79 55.39 2min n ASP 256 Cb 0.41 -4.43 -0.07 0.00 -0.72 0.00 0.00 41.12 36.32 2min n ASP 256 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2min s GLY 257 N -2.27 2.39 0.31 0.27 0.00 0.19 -4.87 107.32 103.34 2min s GLY 257 Ca 0.00 0.25 0.10 0.00 0.00 0.00 0.00 44.72 45.07 2min s GLY 257 CO 0.00 0.51 -0.08 -1.35 0.00 0.00 0.00 173.10 172.18 2min s SER 258 N -2.18 3.98 0.23 1.64 1.04 -1.26 -0.86 113.70 116.28 2min s SER 258 Ca 0.58 -0.97 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2min s SER 258 Cb -0.10 -0.48 0.24 0.00 0.10 0.00 0.00 66.02 65.77 2min s SER 258 CO 0.15 -0.09 1.61 -0.29 0.98 0.00 0.00 173.24 175.60 2min h ILE 259 N 2.01 1.30 0.00 -1.02 2.10 -1.93 -3.03 117.51 116.94 2min h ILE 259 Ca -0.42 -1.54 -0.07 0.00 1.08 0.00 0.00 64.86 63.90 2min h ILE 259 Cb 1.25 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 38.51 2min h ILE 259 CO 0.64 0.49 -0.34 0.77 -1.08 0.00 0.00 178.15 178.62 2min h SER 260 N 0.45 0.00 -0.50 2.19 4.64 -1.96 -0.45 113.55 117.92 2min h SER 260 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2min h SER 260 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2min h SER 260 CO 0.08 0.34 0.14 -0.33 -0.87 0.00 0.00 176.83 176.19 2min h GLU 261 N 0.00 0.79 -0.18 4.77 5.08 -1.83 0.11 114.58 123.32 2min h GLU 261 Ca -0.00 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2min h GLU 261 Cb 0.66 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2min h GLU 261 CO 0.04 0.76 -0.09 0.82 -1.00 0.00 0.00 179.01 179.54 2min h ILE 262 N 0.68 1.31 0.00 3.13 2.04 -1.34 -2.12 117.51 121.21 2min h ILE 262 Ca 0.16 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 2min h ILE 262 Cb 0.31 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2min h ILE 262 CO -0.00 0.34 -0.01 -0.33 0.00 0.00 0.00 178.15 178.15 2min h GLU 263 N 0.06 0.00 0.00 2.37 5.08 -0.87 -1.59 114.58 119.63 2min h GLU 263 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2min h GLU 263 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2min h GLU 263 CO 0.03 0.01 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.79 2min h LEU 264 N 0.00 0.00 -1.46 1.33 4.07 -0.55 -3.38 115.31 115.32 2min h LEU 264 Ca -0.00 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 57.99 2min h LEU 264 Cb 0.02 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 2min h LEU 264 CO 0.00 0.02 0.44 0.74 -1.08 0.00 0.00 178.44 178.56 2min h THR 265 N 0.00 1.00 -0.19 0.22 2.02 -0.60 -1.26 112.91 114.09 2min h THR 265 Ca 0.00 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.01 2min h THR 265 Cb 0.82 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2min h THR 265 CO 0.00 0.12 0.52 -0.65 0.37 0.00 0.00 175.52 175.88 2min h PRO 266 N 0.66 0.00 0.00 6.66 0.11 -1.76 -1.67 132.00 135.99 2min h PRO 266 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2min h PRO 266 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2min h PRO 266 CO -0.09 0.00 -0.27 1.63 -0.21 0.00 0.00 178.00 179.06 2min n LYS 267 N -3.09 0.09 -1.68 1.05 4.76 -0.48 -4.96 118.16 113.85 2min n LYS 267 Ca 0.03 0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.21 2min n LYS 267 Cb 0.62 -1.58 0.08 0.00 -1.84 0.00 0.00 35.03 32.31 2min n LYS 267 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2min s VAL 268 N -3.04 3.15 -0.01 -0.18 -7.23 -0.63 -4.97 120.40 107.49 2min s VAL 268 Ca 0.11 0.37 0.11 0.00 -1.81 0.00 0.00 61.98 60.77 2min s VAL 268 Cb 0.17 -3.21 -0.22 0.00 0.56 0.00 0.00 36.38 33.67 2min s VAL 268 CO 0.63 -0.49 0.82 0.11 -0.31 0.00 0.00 175.10 175.86 2min h LYS 269 N -0.95 0.00 -2.74 4.82 1.79 -1.32 -3.46 116.57 114.71 2min h LYS 269 Ca -0.46 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.89 2min h LYS 269 Cb 1.27 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.68 2min h LYS 269 CO 0.61 0.61 -0.23 -1.17 -1.08 0.00 0.00 179.45 178.19 2min s LEU 270 N -6.23 0.43 -0.29 2.94 2.96 -1.15 -4.20 118.68 113.14 2min s LEU 270 Ca -0.03 0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 54.60 2min s LEU 270 Cb 0.08 1.42 -0.02 0.00 0.50 0.00 0.00 46.19 48.17 2min s LEU 270 CO 0.82 -0.15 0.14 0.20 -1.32 0.00 0.00 176.35 176.04 2min s ASN 271 N 0.18 5.54 -0.57 3.68 0.02 -0.33 -2.45 114.94 121.00 2min s ASN 271 Ca -0.00 -0.32 -0.19 0.00 -1.02 0.00 0.00 52.86 51.33 2min s ASN 271 Cb -0.03 -2.01 0.09 0.00 0.02 0.00 0.00 41.25 39.32 2min s ASN 271 CO 0.01 -0.12 0.71 -0.76 0.02 0.00 0.00 177.10 176.95 2min s LEU 272 N 1.65 5.18 -0.31 0.60 1.43 -0.51 -1.26 118.68 125.44 2min s LEU 272 Ca 0.06 -1.24 -0.23 0.00 -1.03 0.00 0.00 54.13 51.69 2min s LEU 272 Cb -0.16 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2min s LEU 272 CO 0.07 -1.08 0.77 -0.69 0.23 0.00 0.00 176.35 175.65 2min s VAL 273 N 2.79 4.80 -0.02 -1.59 1.01 0.19 -0.62 120.40 126.96 2min s VAL 273 Ca 0.14 1.12 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 2min s VAL 273 Cb -0.22 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2min s VAL 273 CO 0.08 -0.26 -0.03 1.57 0.00 0.00 0.00 175.10 176.46 2min n HIS 274 N 6.20 0.09 -2.57 5.22 -0.00 -0.15 -1.27 115.22 122.74 2min n HIS 274 Ca 0.03 0.04 -0.41 0.00 0.46 0.00 0.00 57.72 57.84 2min n HIS 274 Cb 0.48 -0.24 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 2min n HIS 274 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2min h TYR 276 N 9.98 -0.01 -0.32 0.00 3.20 -1.90 -2.78 116.97 125.14 2min h TYR 276 Ca -0.28 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.66 2min h TYR 276 Cb 1.05 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 2min h TYR 276 CO 1.12 0.30 -0.18 -0.09 -1.64 0.00 0.00 178.16 177.66 2min h ARG 277 N -0.32 -0.14 0.00 1.82 9.65 -1.90 -0.54 114.38 122.96 2min h ARG 277 Ca -0.00 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 2min h ARG 277 Cb 0.31 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2min h ARG 277 CO 0.00 -0.09 -0.33 0.66 2.80 0.00 0.00 179.97 183.01 2min h SER 278 N -0.14 0.00 0.00 -3.80 4.64 -1.90 -3.38 113.55 108.96 2min h SER 278 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2min h SER 278 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2min h SER 278 CO -0.41 0.33 0.00 0.23 -0.87 0.00 0.00 176.83 176.12 2min n MET 279 N -3.25 -0.41 0.25 4.77 2.81 -1.05 -4.70 117.12 115.54 2min n MET 279 Ca 0.02 -0.59 0.10 0.00 -1.81 0.00 0.00 57.70 55.41 2min n MET 279 Cb 0.61 -0.96 0.66 0.00 -0.71 0.00 0.00 33.22 32.82 2min n MET 279 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2min h ASN 280 N 0.00 0.00 0.01 7.83 7.08 -1.28 -2.61 115.58 126.61 2min h ASN 280 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2min h ASN 280 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2min h ASN 280 CO 0.00 0.12 -0.01 1.88 -2.08 0.00 0.00 177.43 177.35 2min h TYR 281 N 0.00 -0.02 -0.04 4.14 0.05 -1.84 -1.46 116.97 117.80 2min h TYR 281 Ca -0.00 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2min h TYR 281 Cb 0.27 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2min h TYR 281 CO 0.00 0.29 -0.57 0.97 -1.05 0.00 0.00 178.16 177.80 2min h ILE 282 N -0.32 1.39 -0.42 -2.88 6.09 -1.87 -2.10 117.51 117.39 2min h ILE 282 Ca -0.00 -1.92 -0.02 0.00 -1.37 0.00 0.00 64.86 61.55 2min h ILE 282 Cb 0.31 1.99 -0.02 0.00 0.47 0.00 0.00 36.82 39.57 2min h ILE 282 CO 0.00 0.56 0.18 0.28 -3.07 0.00 0.00 178.15 176.10 2min h SER 283 N 0.10 0.58 -0.87 2.19 0.02 -1.31 -0.59 113.55 113.67 2min h SER 283 Ca -0.00 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2min h SER 283 Cb 1.03 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 2min h SER 283 CO 0.08 0.58 0.57 0.03 -1.14 0.00 0.00 176.83 176.95 2min h ARG 284 N 0.54 1.09 -0.07 3.45 3.08 -1.11 -1.93 114.38 119.43 2min h ARG 284 Ca 0.14 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2min h ARG 284 Cb 0.17 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2min h ARG 284 CO -0.01 0.72 0.03 1.25 -1.07 0.00 0.00 179.97 180.89 2min h HIS 285 N 1.13 0.11 0.00 3.04 2.76 -0.88 -2.21 115.15 119.10 2min h HIS 285 Ca 0.34 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.46 2min h HIS 285 Cb -0.05 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2min h HIS 285 CO -0.02 0.22 -0.17 0.52 -1.30 0.00 0.00 177.93 177.19 2min h MET 286 N -0.03 0.00 -0.29 5.26 2.86 -0.66 -0.80 114.93 121.27 2min h MET 286 Ca 0.03 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2min h MET 286 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2min h MET 286 CO -0.00 0.17 -0.33 1.49 1.06 0.00 0.00 176.91 179.29 2min h GLU 287 N 0.00 0.73 0.17 1.72 4.81 -1.23 0.11 114.58 120.89 2min h GLU 287 Ca -0.00 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2min h GLU 287 Cb 0.38 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2min h GLU 287 CO 0.02 1.03 -0.08 0.93 -0.73 0.00 0.00 179.01 180.18 2min h GLU 288 N 0.48 -0.22 0.10 1.92 4.39 -0.83 -1.94 114.58 118.48 2min h GLU 288 Ca 0.04 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 2min h GLU 288 Cb 0.92 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.63 2min h GLU 288 CO 0.08 0.14 -0.75 -0.22 -1.16 0.00 0.00 179.01 177.10 2min h LYS 289 N -0.61 0.33 -0.02 2.33 3.64 -1.24 -3.38 116.57 117.63 2min h LYS 289 Ca -0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2min h LYS 289 Cb 0.45 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2min h LYS 289 CO 0.04 1.20 -0.15 0.66 -2.27 0.00 0.00 179.45 178.93 2min n TYR 290 N -4.15 0.00 -1.01 1.91 4.01 0.34 -4.97 117.16 113.29 2min n TYR 290 Ca -0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2min n TYR 290 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.81 2min n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2min n GLY 291 N 1.10 0.32 3.69 2.72 0.00 -0.73 -4.96 105.19 107.33 2min n GLY 291 Ca 0.09 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2min n GLY 291 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2min s ILE 292 N -1.63 4.44 0.69 -0.61 1.01 -1.13 -4.90 121.20 119.08 2min s ILE 292 Ca 0.00 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 2min s ILE 292 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2min s ILE 292 CO 0.00 0.01 1.06 -2.16 0.00 0.00 0.00 174.94 173.85 2min s PRO 293 N 2.09 2.98 0.04 2.79 0.04 -1.26 -3.33 135.00 138.36 2min s PRO 293 Ca 0.53 0.88 0.02 0.00 0.04 0.00 0.00 61.00 62.47 2min s PRO 293 Cb -0.23 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2min s PRO 293 CO 0.21 -1.05 -0.07 1.67 0.04 0.00 0.00 177.00 177.80 2min s TRP 294 N -3.09 0.61 0.01 0.56 1.48 -1.26 -1.19 118.94 116.07 2min s TRP 294 Ca 0.58 -0.51 0.00 0.00 -1.06 0.00 0.00 56.10 55.11 2min s TRP 294 Cb -0.13 -0.37 -0.01 0.00 -1.16 0.00 0.00 33.47 31.79 2min s TRP 294 CO 0.55 -0.10 -0.02 0.00 -4.06 0.00 0.00 176.95 173.32 2min s MET 295 N -1.59 0.18 0.24 3.25 0.23 -0.39 -4.95 119.30 116.28 2min s MET 295 Ca -0.11 -0.36 -0.17 0.00 -1.03 0.00 0.00 55.69 54.03 2min s MET 295 Cb -0.10 0.06 -0.08 0.00 -1.53 0.00 0.00 34.83 33.18 2min s MET 295 CO 0.00 -0.03 0.70 -1.21 -2.03 0.00 0.00 175.02 172.45 2min s GLU 296 N -0.85 4.12 0.35 3.16 2.02 -1.26 -0.63 118.70 125.61 2min s GLU 296 Ca -0.09 0.74 0.03 0.00 0.02 0.00 0.00 54.97 55.67 2min s GLU 296 Cb -0.06 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2min s GLU 296 CO -0.01 0.33 0.39 2.48 0.02 0.00 0.00 175.26 178.47 2min n TYR 297 N 0.37 -1.12 -3.45 1.61 4.11 -0.39 -4.90 117.16 113.39 2min n TYR 297 Ca -0.01 -2.67 -0.14 0.00 -0.00 0.00 0.00 57.90 55.08 2min n TYR 297 Cb 0.52 0.42 -0.11 0.00 -0.00 0.00 0.00 39.34 40.17 2min n TYR 297 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2min s ASN 298 N -3.32 0.87 -0.59 9.48 3.84 -1.26 -4.64 114.94 119.32 2min s ASN 298 Ca 0.36 0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.43 2min s ASN 298 Cb 0.01 0.69 0.47 0.00 -0.55 0.00 0.00 41.25 41.87 2min s ASN 298 CO 0.26 -0.31 1.88 0.49 -2.79 0.00 0.00 177.10 176.63 2min n PHE 299 N 5.34 3.10 -3.68 0.43 3.01 -1.26 -3.10 117.46 121.29 2min n PHE 299 Ca -0.05 -2.79 -0.39 0.00 1.01 0.00 0.00 57.45 55.23 2min n PHE 299 Cb 0.50 -1.23 -0.12 0.00 -0.01 0.00 0.00 39.48 38.62 2min n PHE 299 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2min s PHE 300 N -3.74 3.23 0.00 1.38 0.08 -1.26 -1.38 117.98 116.28 2min s PHE 300 Ca 0.62 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2min s PHE 300 Cb 0.49 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2min s PHE 300 CO 0.01 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 2min n GLY 301 N 4.91 -2.20 0.12 4.36 0.00 -1.26 -3.70 105.19 107.41 2min n GLY 301 Ca -0.13 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 2min n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2min h PRO 302 N 0.00 0.29 -0.21 1.61 0.13 -1.92 -1.24 132.00 130.66 2min h PRO 302 Ca 0.00 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.16 2min h PRO 302 Cb 0.00 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.01 2min h PRO 302 CO 0.00 0.19 -0.15 1.15 -0.23 0.00 0.00 178.00 178.96 2min h THR 303 N 0.30 0.58 -0.28 1.56 2.02 -1.91 -0.27 112.91 114.91 2min h THR 303 Ca 0.08 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.07 2min h THR 303 Cb -0.03 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2min h THR 303 CO -0.02 0.00 -0.56 0.11 0.37 0.00 0.00 175.52 175.42 2min h LYS 304 N -0.15 0.88 -0.56 6.66 1.79 -1.70 -1.64 116.57 121.86 2min h LYS 304 Ca 0.12 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2min h LYS 304 Cb 0.33 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 2min h LYS 304 CO -0.30 1.20 0.28 1.15 -1.08 0.00 0.00 179.45 180.71 2min h THR 305 N 0.67 1.20 -0.22 -0.16 2.02 -0.89 0.67 112.91 116.20 2min h THR 305 Ca 0.01 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2min h THR 305 Cb 1.17 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2min h THR 305 CO 0.12 0.22 0.09 0.40 0.37 0.00 0.00 175.52 176.73 2min h ILE 306 N 0.76 1.16 -0.32 3.11 2.04 -0.98 0.22 117.51 123.49 2min h ILE 306 Ca 0.19 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2min h ILE 306 Cb 0.10 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2min h ILE 306 CO -0.03 0.15 -0.01 -0.08 0.00 0.00 0.00 178.15 178.19 2min h GLU 307 N 0.20 0.08 -0.08 2.37 4.81 -0.98 -1.44 114.58 119.54 2min h GLU 307 Ca 0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2min h GLU 307 Cb 0.16 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2min h GLU 307 CO -0.01 0.05 0.02 0.77 -0.73 0.00 0.00 179.01 179.11 2min h SER 308 N 0.08 0.13 -0.82 1.04 0.02 -0.55 -1.10 113.55 112.34 2min h SER 308 Ca 0.16 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2min h SER 308 Cb 0.21 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 2min h SER 308 CO -0.27 0.34 0.54 -0.07 -1.14 0.00 0.00 176.83 176.23 2min h LEU 309 N -0.08 0.87 -0.37 5.07 3.38 -0.34 -0.16 115.31 123.67 2min h LEU 309 Ca 0.03 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2min h LEU 309 Cb 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2min h LEU 309 CO 0.00 0.59 -0.74 0.03 0.09 0.00 0.00 178.44 178.41 2min h ARG 310 N 1.00 0.45 -0.25 1.13 3.08 -1.12 -1.01 114.38 117.67 2min h ARG 310 Ca 0.33 -0.37 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 2min h ARG 310 Cb 0.07 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2min h ARG 310 CO -0.10 1.01 -0.58 0.00 -1.07 0.00 0.00 179.97 179.22 2min h ALA 311 N 0.88 0.50 -0.36 0.04 0.00 -0.64 -1.83 119.26 117.86 2min h ALA 311 Ca -0.03 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2min h ALA 311 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2min h ALA 311 CO 0.13 0.69 -0.11 0.82 0.00 0.00 0.00 179.25 180.77 2min h ILE 312 N 0.59 1.28 -0.71 0.00 2.04 -1.02 -3.06 117.51 116.62 2min h ILE 312 Ca 0.00 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2min h ILE 312 Cb 1.18 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 2min h ILE 312 CO 0.12 0.40 0.43 0.00 0.00 0.00 0.00 178.15 179.10 2min h ALA 313 N 0.81 1.42 0.00 1.87 0.00 -1.10 -1.64 119.26 120.61 2min h ALA 313 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2min h ALA 313 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2min h ALA 313 CO 0.04 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2min h ALA 314 N 1.49 1.00 -0.00 0.00 0.00 -1.23 -0.48 119.26 120.05 2min h ALA 314 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2min h ALA 314 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2min h ALA 314 CO -0.05 0.00 -0.01 1.63 0.00 0.00 0.00 179.25 180.83 2min n LYS 315 N -2.79 0.22 0.00 0.00 4.76 -0.62 -4.82 118.16 114.92 2min n LYS 315 Ca -0.02 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2min n LYS 315 Cb 0.10 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2min n LYS 315 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2min n PHE 316 N -1.39 0.00 -4.29 2.13 3.72 -0.19 -5.15 117.46 112.29 2min n PHE 316 Ca 0.11 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.33 2min n PHE 316 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 2min n PHE 316 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2min n ASP 317 N 0.00 0.03 -0.27 4.37 5.68 -1.26 -5.03 116.55 120.07 2min n ASP 317 Ca 0.00 -2.78 0.19 0.00 -0.50 0.00 0.00 54.79 51.70 2min n ASP 317 Cb 0.00 1.18 0.49 0.00 -1.14 0.00 0.00 41.12 41.65 2min n ASP 317 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2min h GLU 318 N 0.00 0.43 -0.31 0.11 4.39 -1.98 -1.04 114.58 116.18 2min h GLU 318 Ca -0.21 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.32 2min h GLU 318 Cb 0.98 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2min h GLU 318 CO 0.32 0.29 -0.34 0.66 -1.16 0.00 0.00 179.01 178.78 2min h SER 319 N 0.44 0.84 -0.16 1.42 4.64 -1.98 0.37 113.55 119.12 2min h SER 319 Ca 0.51 -0.48 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 2min h SER 319 Cb 1.21 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2min h SER 319 CO -0.22 1.15 -0.37 0.40 -0.87 0.00 0.00 176.83 176.91 2min h ILE 320 N 0.54 1.29 -0.41 0.95 1.08 -1.54 -0.73 117.51 118.69 2min h ILE 320 Ca 0.05 -1.53 -0.07 0.00 -0.39 0.00 0.00 64.86 62.91 2min h ILE 320 Cb 0.92 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 2min h ILE 320 CO 0.08 0.50 -0.02 1.56 -0.69 0.00 0.00 178.15 179.58 2min h GLN 321 N 0.57 0.68 -0.10 2.37 4.20 -1.12 0.82 115.11 122.53 2min h GLN 321 Ca 0.05 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 2min h GLN 321 Cb 0.90 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2min h GLN 321 CO 0.08 0.71 -0.29 0.87 -0.67 0.00 0.00 178.83 179.53 2min h LYS 322 N 0.64 0.37 -0.34 1.46 1.79 -0.46 -2.78 116.57 117.24 2min h LYS 322 Ca 0.13 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2min h LYS 322 Cb 0.43 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2min h LYS 322 CO 0.02 0.89 0.17 0.87 -1.08 0.00 0.00 179.45 180.31 2min h LYS 323 N -0.08 0.47 -0.45 3.15 1.57 -1.07 -1.33 116.57 118.83 2min h LYS 323 Ca -0.01 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2min h LYS 323 Cb 0.91 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 2min h LYS 323 CO 0.06 0.36 0.19 0.00 -0.57 0.00 0.00 179.45 179.50 2min h GLU 325 N 0.38 0.00 -0.36 0.00 4.39 -1.07 -0.78 114.58 117.14 2min h GLU 325 Ca 0.20 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2min h GLU 325 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2min h GLU 325 CO -0.18 0.46 -0.11 0.93 -1.16 0.00 0.00 179.01 178.95 2min h GLU 326 N 0.00 0.71 0.04 2.33 5.08 -0.36 -0.98 114.58 121.40 2min h GLU 326 Ca -0.00 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2min h GLU 326 Cb 0.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2min h GLU 326 CO 0.06 0.88 -0.02 0.28 -1.00 0.00 0.00 179.01 179.21 2min h VAL 327 N 0.51 1.07 -0.89 3.13 2.07 -0.60 -0.40 116.25 121.14 2min h VAL 327 Ca 0.09 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.36 2min h VAL 327 Cb 0.63 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 2min h VAL 327 CO 0.04 0.09 0.54 0.40 0.02 0.00 0.00 177.57 178.65 2min h ILE 328 N -0.20 0.95 -0.51 4.57 2.04 -1.10 -2.09 117.51 121.18 2min h ILE 328 Ca -0.01 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 2min h ILE 328 Cb 0.18 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2min h ILE 328 CO 0.01 0.17 -0.18 0.00 0.00 0.00 0.00 178.15 178.14 2min h ALA 329 N 1.47 0.71 -0.45 1.87 0.00 -0.80 -1.27 119.26 120.79 2min h ALA 329 Ca 0.42 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2min h ALA 329 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2min h ALA 329 CO -0.23 0.68 0.20 -0.22 0.00 0.00 0.00 179.25 179.68 2min h LYS 330 N 0.89 0.65 0.00 0.00 3.64 -0.43 -3.15 116.57 118.16 2min h LYS 330 Ca 0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2min h LYS 330 Cb 0.76 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2min h LYS 330 CO 0.06 0.57 -0.24 1.88 -2.27 0.00 0.00 179.45 179.45 2min h TYR 331 N 0.58 0.00 -0.44 1.91 0.05 -1.34 -3.38 116.97 114.34 2min h TYR 331 Ca 0.15 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.01 2min h TYR 331 Cb 0.14 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.78 2min h TYR 331 CO -0.01 0.00 -0.35 -0.22 -1.05 0.00 0.00 178.16 176.53 2min h LYS 332 N 0.00 -0.24 -0.81 4.88 3.64 -1.18 -1.22 116.57 121.64 2min h LYS 332 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2min h LYS 332 Cb 0.94 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 2min h LYS 332 CO 0.00 -0.16 0.53 -1.00 -2.27 0.00 0.00 179.45 176.55 2min h PRO 333 N -0.25 0.87 0.40 1.90 0.13 -1.76 -1.36 132.00 131.93 2min h PRO 333 Ca 0.18 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2min h PRO 333 Cb 0.55 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2min h PRO 333 CO -0.58 0.58 -0.19 0.93 -0.23 0.00 0.00 178.00 178.51 2min h GLU 334 N 0.90 -0.52 0.00 0.86 5.08 -1.54 -0.78 114.58 118.57 2min h GLU 334 Ca 0.34 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 2min h GLU 334 Cb 0.20 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2min h GLU 334 CO -0.12 -0.21 -0.31 0.11 -1.00 0.00 0.00 179.01 177.48 2min h TRP 335 N -0.84 0.00 -0.21 4.33 5.08 -1.15 -2.09 115.95 121.08 2min h TRP 335 Ca -0.05 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.80 2min h TRP 335 Cb 0.54 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.69 2min h TRP 335 CO 0.01 0.31 -0.38 0.93 -1.28 0.00 0.00 178.44 178.04 2min h GLU 336 N 0.00 0.47 -0.26 0.12 5.08 -1.18 -1.15 114.58 117.66 2min h GLU 336 Ca -0.00 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 2min h GLU 336 Cb 0.69 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2min h GLU 336 CO 0.04 0.78 -0.33 0.00 -1.00 0.00 0.00 179.01 178.50 2min h ALA 337 N 1.20 0.94 -0.01 3.43 0.00 -0.72 0.05 119.26 124.15 2min h ALA 337 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2min h ALA 337 Cb 0.84 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2min h ALA 337 CO 0.07 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.22 2min h VAL 338 N 0.48 1.22 -0.54 0.00 2.07 -0.93 -1.40 116.25 117.14 2min h VAL 338 Ca 0.06 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2min h VAL 338 Cb 0.80 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2min h VAL 338 CO 0.07 0.17 -0.02 1.62 0.02 0.00 0.00 177.57 179.42 2min h VAL 339 N -0.26 1.26 -0.84 2.57 3.04 -1.18 -0.38 116.25 120.46 2min h VAL 339 Ca 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 2min h VAL 339 Cb 0.27 0.87 -0.04 0.00 -2.01 0.00 0.00 31.29 30.38 2min h VAL 339 CO 0.00 0.40 0.53 0.00 -1.01 0.00 0.00 177.57 177.50 2min h ALA 340 N 1.09 1.35 0.01 3.17 0.00 -0.79 0.88 119.26 124.97 2min h ALA 340 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2min h ALA 340 Cb 0.55 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2min h ALA 340 CO 0.03 0.58 -0.34 -0.22 0.00 0.00 0.00 179.25 179.29 2min h LYS 341 N 1.15 0.21 0.00 0.00 3.64 -1.04 -3.41 116.57 117.13 2min h LYS 341 Ca 0.31 -0.24 -0.34 0.00 -1.27 0.00 0.00 60.65 59.11 2min h LYS 341 Cb -0.09 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 2min h LYS 341 CO -0.06 0.99 -2.09 0.66 -2.27 0.00 0.00 179.45 176.68 2min n TYR 342 N -4.43 0.46 -0.06 1.91 4.01 -0.17 -4.43 117.16 114.45 2min n TYR 342 Ca -0.10 0.16 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 2min n TYR 342 Cb 0.56 -1.08 -0.01 0.00 -0.31 0.00 0.00 39.34 38.49 2min n TYR 342 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2min h ARG 343 N 0.00 0.22 -0.08 -0.72 2.43 -1.00 -0.86 114.38 114.37 2min h ARG 343 Ca -0.43 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2min h ARG 343 Cb 2.14 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2min h ARG 343 CO 0.05 0.14 0.32 -1.35 -1.51 0.00 0.00 179.97 177.62 2min h PRO 344 N 0.22 0.00 0.00 0.20 0.11 -1.78 0.28 132.00 131.04 2min h PRO 344 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2min h PRO 344 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2min h PRO 344 CO -0.10 0.00 -0.79 0.54 -0.21 0.00 0.00 178.00 177.43 2min n ARG 345 N -3.11 0.29 0.00 1.05 1.74 -0.36 -4.41 116.66 111.86 2min n ARG 345 Ca -0.00 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2min n ARG 345 Cb 0.39 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2min n ARG 345 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2min n LEU 346 N -2.05 0.20 -4.63 0.55 4.77 -0.24 -4.95 117.00 110.65 2min n LEU 346 Ca 0.03 -0.44 -0.53 0.00 -0.03 0.00 0.00 56.01 55.03 2min n LEU 346 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2min n LEU 346 CO 0.38 0.05 1.05 1.21 -1.33 0.00 0.00 177.39 178.75 2min n GLU 347 N -0.48 1.20 -0.97 3.23 4.07 -0.08 -1.79 120.64 125.82 2min n GLU 347 Ca 0.00 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 2min n GLU 347 Cb 0.02 -2.10 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 2min n GLU 347 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2min n GLY 348 N 3.10 0.65 3.81 8.31 0.00 0.42 -4.96 105.19 116.51 2min n GLY 348 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2min n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2min s LYS 349 N -0.20 4.30 -0.13 1.61 -0.14 -0.74 -4.84 119.74 119.61 2min s LYS 349 Ca 0.00 1.00 -0.03 0.00 -1.36 0.00 0.00 55.97 55.58 2min s LYS 349 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 2min s LYS 349 CO 0.00 0.26 -0.02 1.03 -0.76 0.00 0.00 175.35 175.86 2min s ARG 350 N -2.34 3.43 -0.03 1.68 0.52 -1.26 -1.10 118.95 119.85 2min s ARG 350 Ca 0.50 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 55.30 2min s ARG 350 Cb -0.15 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 2min s ARG 350 CO 0.20 0.42 -0.23 0.08 0.02 0.00 0.00 175.30 175.79 2min s VAL 351 N -0.11 2.31 -0.10 3.52 1.01 0.23 -0.19 120.40 127.08 2min s VAL 351 Ca 0.03 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2min s VAL 351 Cb -0.13 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2min s VAL 351 CO 0.02 0.58 -0.17 -0.04 0.00 0.00 0.00 175.10 175.49 2min s MET 352 N -0.60 3.01 0.18 2.72 -1.94 -0.74 -0.78 119.30 121.15 2min s MET 352 Ca 0.09 -0.76 0.10 0.00 -1.71 0.00 0.00 55.69 53.41 2min s MET 352 Cb -0.10 -2.44 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 2min s MET 352 CO -0.00 0.32 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.61 2min s LEU 353 N 0.04 2.44 -0.26 -0.03 1.43 -0.48 -1.23 118.68 120.59 2min s LEU 353 Ca -0.07 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 2min s LEU 353 Cb -0.15 -1.00 0.15 0.00 0.03 0.00 0.00 46.19 45.22 2min s LEU 353 CO 0.05 0.04 0.45 -0.47 0.23 0.00 0.00 176.35 176.65 2min s TYR 354 N -1.87 -1.07 0.00 0.29 5.04 -0.85 -2.94 117.35 115.94 2min s TYR 354 Ca 0.18 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 2min s TYR 354 Cb -0.07 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.45 2min s TYR 354 CO 0.08 -0.76 0.00 -0.89 -1.34 0.00 0.00 175.55 172.64 2min n ILE 355 N 5.39 0.00 0.00 3.14 5.41 -0.72 -4.24 119.36 128.34 2min n ILE 355 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2min n ILE 355 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 2min n ILE 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2min n GLY 356 N 0.55 1.23 0.00 7.39 0.00 -1.26 -1.44 105.19 111.66 2min n GLY 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2min n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 357 N 2.61 -1.87 2.02 -0.02 0.00 -1.26 -1.77 105.19 104.90 2min n GLY 357 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2min n GLY 357 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2min n LEU 358 N 0.00 -0.44 -0.18 0.99 7.94 -1.26 -4.48 117.00 119.57 2min n LEU 358 Ca 0.00 0.44 0.20 0.00 -1.11 0.00 0.00 56.01 55.54 2min n LEU 358 Cb 0.50 0.60 0.56 0.00 0.53 0.00 0.00 43.42 45.62 2min n LEU 358 CO 0.00 -0.66 1.22 0.03 -1.11 0.00 0.00 177.39 176.87 2min h ARG 359 N 0.00 0.29 -1.03 1.96 -0.00 -1.95 -2.30 114.38 111.35 2min h ARG 359 Ca 0.00 -0.02 0.32 0.00 -0.50 0.00 0.00 59.98 59.79 2min h ARG 359 Cb 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 29.97 29.76 2min h ARG 359 CO 0.00 0.19 0.60 -1.35 0.00 0.00 0.00 179.97 179.42 2min h PRO 360 N 0.30 0.32 0.05 0.04 0.11 -1.91 -2.32 132.00 128.59 2min h PRO 360 Ca 0.41 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 66.13 2min h PRO 360 Cb 1.14 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 2min h PRO 360 CO -0.11 0.21 -2.18 2.89 -0.21 0.00 0.00 178.00 178.60 2min n ARG 361 N -4.98 0.69 0.21 1.05 1.85 -0.98 -4.65 116.66 109.85 2min n ARG 361 Ca 0.32 0.19 0.07 0.00 -1.00 0.00 0.00 57.85 57.42 2min n ARG 361 Cb 1.00 -1.63 0.46 0.00 -1.05 0.00 0.00 32.46 31.25 2min n ARG 361 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2min h HIS 362 N 0.03 0.00 -0.01 2.89 3.86 -0.97 -2.99 115.15 117.96 2min h HIS 362 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2min h HIS 362 Cb 2.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.48 2min h HIS 362 CO 0.04 0.29 -0.25 1.33 0.86 0.00 0.00 177.93 180.20 2min n VAL 363 N -3.78 0.00 -0.32 2.45 0.24 -0.91 -4.30 118.33 111.70 2min n VAL 363 Ca -0.01 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.34 62.13 2min n VAL 363 Cb 0.38 0.35 0.08 0.00 -1.47 0.00 0.00 33.84 33.19 2min n VAL 363 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2min h ILE 364 N 1.12 1.23 -0.75 1.34 2.04 -1.78 -1.55 117.51 119.16 2min h ILE 364 Ca 0.00 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2min h ILE 364 Cb 0.49 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2min h ILE 364 CO 0.00 0.23 0.28 1.23 0.00 0.00 0.00 178.15 179.89 2min h GLY 365 N 1.19 1.21 1.28 5.37 0.00 -1.80 -0.68 103.07 109.64 2min h GLY 365 Ca 0.32 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2min h GLY 365 CO -0.07 0.63 -0.03 0.00 0.00 0.00 0.00 176.54 177.08 2min h ALA 366 N 1.20 1.00 -0.64 3.60 0.00 -1.48 -1.16 119.26 121.79 2min h ALA 366 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2min h ALA 366 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2min h ALA 366 CO -0.02 0.61 0.30 1.88 0.00 0.00 0.00 179.25 182.02 2min h TYR 367 N 0.80 0.93 -0.03 0.00 0.05 -0.41 -2.63 116.97 115.68 2min h TYR 367 Ca 0.15 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 2min h TYR 367 Cb 0.52 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2min h TYR 367 CO 0.03 0.70 -0.26 0.93 -1.05 0.00 0.00 178.16 178.51 2min h GLU 368 N 0.88 0.04 0.00 4.88 5.08 -0.89 -1.31 114.58 123.27 2min h GLU 368 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2min h GLU 368 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2min h GLU 368 CO -0.03 0.31 0.00 -0.44 -1.00 0.00 0.00 179.01 177.85 2min h ASP 369 N 0.04 0.00 -0.41 1.42 3.32 -0.83 0.87 116.42 120.82 2min h ASP 369 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2min h ASP 369 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2min h ASP 369 CO 0.04 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 2min n LEU 370 N -2.78 4.77 -0.71 1.55 4.77 -0.63 -4.89 117.00 119.09 2min n LEU 370 Ca -0.00 -2.97 -0.09 0.00 -0.03 0.00 0.00 56.01 52.92 2min n LEU 370 Cb 0.19 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 2min n LEU 370 CO 0.21 0.66 -0.09 0.61 -1.33 0.00 0.00 177.39 177.45 2min n GLY 371 N 0.05 1.09 3.97 -0.72 0.00 0.30 -3.44 105.19 106.44 2min n GLY 371 Ca 0.24 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2min n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2min s MET 372 N -2.69 3.08 -0.08 1.61 -1.94 -0.59 -0.44 119.30 118.25 2min s MET 372 Ca 0.00 -0.74 0.03 0.00 -1.71 0.00 0.00 55.69 53.27 2min s MET 372 Cb 0.00 -2.68 0.01 0.00 2.01 0.00 0.00 34.83 34.17 2min s MET 372 CO 0.00 -0.12 -0.16 -2.00 -0.01 0.00 0.00 175.02 172.73 2min s GLU 373 N -4.38 2.12 -0.37 2.03 2.12 -0.26 -3.79 118.70 116.17 2min s GLU 373 Ca 0.47 -0.56 -0.20 0.00 0.36 0.00 0.00 54.97 55.04 2min s GLU 373 Cb -0.10 -1.68 0.01 0.00 0.26 0.00 0.00 34.13 32.62 2min s GLU 373 CO 0.35 0.08 0.62 0.08 -0.54 0.00 0.00 175.26 175.85 2min s VAL 374 N 0.55 4.89 -1.75 3.70 1.01 -1.26 -0.60 120.40 126.94 2min s VAL 374 Ca -0.16 0.46 0.23 0.00 0.00 0.00 0.00 61.98 62.51 2min s VAL 374 Cb -0.16 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2min s VAL 374 CO 0.05 -0.36 1.18 1.33 0.00 0.00 0.00 175.10 177.30 2min n VAL 375 N 5.62 0.00 -3.64 2.92 0.24 0.04 -4.73 118.33 118.78 2min n VAL 375 Ca -0.02 -0.18 -0.08 0.00 -2.04 0.00 0.00 64.34 62.03 2min n VAL 375 Cb 0.48 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 2min n VAL 375 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2min s GLY 376 N -2.60 -0.22 0.17 7.63 0.00 -1.24 -1.54 107.32 109.53 2min s GLY 376 Ca 0.18 2.70 -0.08 0.00 0.00 0.00 0.00 44.72 47.51 2min s GLY 376 CO 0.62 2.11 0.28 -1.08 0.00 0.00 0.00 173.10 175.03 2min s THR 377 N 0.74 0.06 -0.20 0.90 -1.32 -0.22 -1.38 115.64 114.22 2min s THR 377 Ca -0.02 -1.43 -0.36 0.00 -1.21 0.00 0.00 61.69 58.67 2min s THR 377 Cb -0.05 -1.89 0.14 0.00 -1.51 0.00 0.00 72.50 69.20 2min s THR 377 CO -0.10 -0.28 1.29 -0.83 -2.21 0.00 0.00 174.62 172.49 2min s GLY 378 N -2.98 -0.29 0.09 6.08 0.00 -1.15 -2.66 107.32 106.42 2min s GLY 378 Ca 0.18 1.57 0.09 0.00 0.00 0.00 0.00 44.72 46.57 2min s GLY 378 CO 0.01 0.50 -0.23 -0.19 0.00 0.00 0.00 173.10 173.19 2min s TYR 379 N -2.27 1.99 -0.05 1.90 1.51 -1.08 -1.75 117.35 117.60 2min s TYR 379 Ca 0.11 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 2min s TYR 379 Cb 0.00 -1.11 -0.20 0.00 -0.11 0.00 0.00 41.96 40.54 2min s TYR 379 CO -0.04 0.22 1.05 0.93 -1.11 0.00 0.00 175.55 176.60 2min h GLU 380 N 4.23 -0.07 0.00 -0.62 5.08 -0.41 -0.30 114.58 122.48 2min h GLU 380 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2min h GLU 380 Cb 1.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2min h GLU 380 CO 0.41 0.49 -0.30 1.97 -1.00 0.00 0.00 179.01 180.57 2min n PHE 381 N -4.84 0.00 -1.55 4.33 1.16 -1.00 -3.84 117.46 111.72 2min n PHE 381 Ca -0.09 -0.52 -0.35 0.00 -1.87 0.00 0.00 57.45 54.63 2min n PHE 381 Cb 0.30 -0.11 0.08 0.00 -1.61 0.00 0.00 39.48 38.14 2min n PHE 381 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2min s ALA 382 N -1.40 2.21 0.42 1.98 0.00 -1.25 -4.76 121.76 118.97 2min s ALA 382 Ca 0.17 0.91 0.08 0.00 0.00 0.00 0.00 51.96 53.12 2min s ALA 382 Cb 0.15 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2min s ALA 382 CO 0.00 -1.73 0.41 -1.01 0.00 0.00 0.00 175.76 173.43 2min s HIS 383 N -1.89 2.72 0.34 0.00 3.76 -1.26 -3.13 115.29 115.83 2min s HIS 383 Ca 0.75 -0.48 0.09 0.00 -0.15 0.00 0.00 55.06 55.28 2min s HIS 383 Cb -0.30 -2.21 0.84 0.00 1.11 0.00 0.00 32.58 32.03 2min s HIS 383 CO 0.43 -0.17 1.80 -0.97 -0.85 0.00 0.00 174.74 174.98 2min h ASN 384 N 0.97 0.68 0.20 1.40 -1.24 -1.96 0.29 115.58 115.92 2min h ASN 384 Ca -0.41 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 56.65 2min h ASN 384 Cb 1.27 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 40.27 2min h ASN 384 CO 0.55 0.25 -0.10 -2.24 -1.29 0.00 0.00 177.43 174.60 2min h ASP 385 N 0.67 0.00 -0.20 1.15 3.04 -1.99 -0.08 116.42 119.01 2min h ASP 385 Ca 0.54 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 54.24 2min h ASP 385 Cb 0.97 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.26 2min h ASP 385 CO -0.31 0.10 -0.23 0.44 -2.04 0.00 0.00 179.24 177.20 2min h ASP 386 N 0.00 0.54 -0.01 4.15 3.32 -1.33 -2.71 116.42 120.39 2min h ASP 386 Ca -0.00 -0.50 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2min h ASP 386 Cb 0.23 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2min h ASP 386 CO 0.01 0.93 -0.17 1.88 -1.72 0.00 0.00 179.24 180.18 2min h TYR 387 N 0.17 0.36 -0.34 4.55 0.05 -1.12 -0.46 116.97 120.19 2min h TYR 387 Ca 0.03 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.76 2min h TYR 387 Cb 0.79 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 2min h TYR 387 CO 0.08 0.49 0.21 -0.44 -1.05 0.00 0.00 178.16 177.46 2min h ASP 388 N 0.31 0.36 -0.00 3.88 3.32 -0.96 -1.30 116.42 122.04 2min h ASP 388 Ca 0.06 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2min h ASP 388 Cb 0.48 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2min h ASP 388 CO 0.03 0.26 -0.07 0.03 -1.72 0.00 0.00 179.24 177.77 2min h ARG 389 N 0.44 0.19 -0.43 3.56 3.08 -1.12 -2.83 114.38 117.28 2min h ARG 389 Ca 0.13 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 2min h ARG 389 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2min h ARG 389 CO -0.04 0.28 -0.16 1.15 -1.07 0.00 0.00 179.97 180.13 2min h THR 390 N 0.19 1.28 -0.99 2.04 2.02 -0.01 -3.26 112.91 114.18 2min h THR 390 Ca 0.04 -1.30 0.27 0.00 0.77 0.00 0.00 66.41 66.20 2min h THR 390 Cb 0.26 1.21 -0.18 0.00 -1.74 0.00 0.00 68.15 67.70 2min h THR 390 CO 0.01 0.44 0.02 0.80 0.37 0.00 0.00 175.52 177.16 2min n MET 391 N -4.24 -0.08 -0.06 6.66 0.00 -0.66 -0.38 117.12 118.37 2min n MET 391 Ca -0.01 1.48 -0.12 0.00 0.00 0.00 0.00 57.70 59.05 2min n MET 391 Cb 0.41 -2.35 -0.06 0.00 0.00 0.00 0.00 33.22 31.22 2min n MET 391 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2min h LYS 392 N 0.00 0.32 0.00 2.12 1.79 -1.69 -3.25 116.57 115.86 2min h LYS 392 Ca 0.60 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.87 2min h LYS 392 Cb 1.23 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2min h LYS 392 CO -0.93 0.62 -0.33 0.93 -1.08 0.00 0.00 179.45 178.66 2min h GLU 393 N 0.01 0.00 -6.36 3.15 4.39 -0.83 -3.44 114.58 111.50 2min h GLU 393 Ca 0.04 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.19 2min h GLU 393 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2min h GLU 393 CO 0.02 0.33 -0.12 -1.64 -1.16 0.00 0.00 179.01 176.44 2min s MET 394 N -3.80 3.86 0.70 2.33 -1.94 -0.85 -4.98 119.30 114.63 2min s MET 394 Ca -0.01 0.34 -0.11 0.00 -1.71 0.00 0.00 55.69 54.20 2min s MET 394 Cb 0.12 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 34.18 2min s MET 394 CO 0.67 0.41 1.06 0.20 -0.01 0.00 0.00 175.02 177.35 2min s GLY 395 N -2.06 1.66 0.61 -0.03 0.00 -1.26 -4.95 107.32 101.30 2min s GLY 395 Ca 0.42 -0.02 -0.19 0.00 0.00 0.00 0.00 44.72 44.94 2min s GLY 395 CO 0.20 0.31 1.24 -0.35 0.00 0.00 0.00 173.10 174.50 2min s ASP 396 N -3.90 4.97 -0.80 1.64 2.15 -1.26 -3.01 116.67 116.46 2min s ASP 396 Ca 0.58 2.48 0.00 0.00 0.43 0.00 0.00 52.55 56.04 2min s ASP 396 Cb -0.13 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2min s ASP 396 CO 0.55 -1.75 0.00 -1.20 -0.17 0.00 0.00 175.17 172.60 2min n SER 397 N -1.70 -5.01 -4.90 -0.34 7.64 -1.26 -4.97 113.62 103.08 2min n SER 397 Ca 0.14 0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.93 2min n SER 397 Cb 0.49 -3.17 -0.00 0.00 -1.01 0.00 0.00 64.21 60.52 2min n SER 397 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2min s THR 398 N -1.91 4.90 -0.02 0.44 -4.23 -1.16 -4.42 115.64 109.23 2min s THR 398 Ca 0.00 0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.53 2min s THR 398 Cb 0.00 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.94 2min s THR 398 CO 0.00 -0.83 0.67 -0.22 -0.54 0.00 0.00 174.62 173.70 2min s LEU 399 N -4.68 4.38 -0.05 4.79 2.96 -0.59 -1.75 118.68 123.75 2min s LEU 399 Ca 0.48 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.65 2min s LEU 399 Cb -0.10 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 2min s LEU 399 CO 0.44 -0.01 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.51 2min s LEU 400 N 0.27 2.46 -0.06 -0.68 1.02 -0.05 -1.06 118.68 120.58 2min s LEU 400 Ca 0.35 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.15 2min s LEU 400 Cb -0.18 -1.48 0.03 0.00 0.02 0.00 0.00 46.19 44.58 2min s LEU 400 CO 0.18 0.31 0.13 -0.72 0.02 0.00 0.00 176.35 176.28 2min s TYR 401 N -0.54 -0.15 -0.12 0.29 -0.85 -1.09 -1.20 117.35 113.70 2min s TYR 401 Ca 0.07 0.43 -0.02 0.00 -0.52 0.00 0.00 57.07 57.03 2min s TYR 401 Cb -0.11 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2min s TYR 401 CO 0.01 -0.14 -0.03 0.34 -1.52 0.00 0.00 175.55 174.21 2min s ASP 402 N 0.96 4.92 -1.40 -0.18 2.15 -0.15 -2.62 116.67 120.36 2min s ASP 402 Ca -0.07 -0.02 -0.07 0.00 0.43 0.00 0.00 52.55 52.81 2min s ASP 402 Cb -0.10 -1.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.95 2min s ASP 402 CO -0.05 0.27 0.36 -0.67 -0.17 0.00 0.00 175.17 174.91 2min n ASP 403 N 2.89 -0.96 -4.77 -0.34 2.03 -0.12 -4.84 116.55 110.44 2min n ASP 403 Ca -0.18 -1.13 -0.40 0.00 0.52 0.00 0.00 54.79 53.60 2min n ASP 403 Cb 0.53 -2.44 0.01 0.00 -0.72 0.00 0.00 41.12 38.49 2min n ASP 403 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2min s VAL 404 N -3.99 2.16 0.62 5.18 0.11 -1.26 -4.93 120.40 118.30 2min s VAL 404 Ca 0.12 0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2min s VAL 404 Cb -0.06 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.71 2min s VAL 404 CO 0.93 0.03 0.96 0.42 -3.33 0.00 0.00 175.10 174.11 2min s THR 405 N -1.18 3.67 0.21 5.04 -4.23 -1.26 -4.25 115.64 113.64 2min s THR 405 Ca 0.57 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 2min s THR 405 Cb -0.44 -3.48 0.17 0.00 1.34 0.00 0.00 72.50 70.09 2min s THR 405 CO 0.57 -0.55 1.82 1.23 -0.54 0.00 0.00 174.62 177.15 2min h GLY 406 N -0.32 1.22 0.94 3.99 0.00 -1.61 -1.41 103.07 105.88 2min h GLY 406 Ca -0.45 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.29 2min h GLY 406 CO 0.62 0.56 0.04 -1.82 0.00 0.00 0.00 176.54 175.93 2min h TYR 407 N 1.13 0.09 -0.50 5.60 3.20 -1.88 -1.50 116.97 123.12 2min h TYR 407 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2min h TYR 407 Cb 0.08 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2min h TYR 407 CO 0.01 0.13 0.28 0.93 -1.64 0.00 0.00 178.16 177.86 2min h GLU 408 N 0.04 0.70 -0.27 1.82 5.08 -1.86 -1.10 114.58 118.98 2min h GLU 408 Ca 0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2min h GLU 408 Cb 0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2min h GLU 408 CO -0.00 0.54 0.12 0.35 -1.00 0.00 0.00 179.01 179.01 2min h PHE 409 N 0.67 0.40 -0.66 4.33 3.57 -1.16 0.85 116.94 124.94 2min h PHE 409 Ca 0.18 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2min h PHE 409 Cb 0.04 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 2min h PHE 409 CO -0.02 0.38 0.42 1.49 -2.23 0.00 0.00 178.31 178.35 2min h GLU 410 N 0.29 0.80 -0.59 1.11 4.81 -1.08 -1.54 114.58 118.38 2min h GLU 410 Ca 0.09 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2min h GLU 410 Cb 0.15 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2min h GLU 410 CO -0.01 0.53 -0.02 0.93 -0.73 0.00 0.00 179.01 179.71 2min h GLU 411 N 0.82 1.04 -0.61 1.92 4.39 -0.61 -1.09 114.58 120.44 2min h GLU 411 Ca 0.26 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2min h GLU 411 Cb -0.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2min h GLU 411 CO -0.09 1.03 0.06 0.74 -1.16 0.00 0.00 179.01 179.59 2min h PHE 412 N 0.95 1.11 -0.59 4.33 0.04 -0.66 -2.23 116.94 119.88 2min h PHE 412 Ca 0.17 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2min h PHE 412 Cb 0.57 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2min h PHE 412 CO 0.04 0.96 0.16 0.28 -0.60 0.00 0.00 178.31 179.15 2min h VAL 413 N 0.93 1.25 -0.71 -0.55 2.07 -0.96 0.07 116.25 118.36 2min h VAL 413 Ca 0.18 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2min h VAL 413 Cb 0.48 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2min h VAL 413 CO 0.02 0.33 0.43 0.11 0.02 0.00 0.00 177.57 178.48 2min h LYS 414 N 0.85 0.96 -0.02 1.57 1.57 -0.92 0.68 116.57 121.26 2min h LYS 414 Ca 0.19 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2min h LYS 414 Cb 0.33 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2min h LYS 414 CO -0.00 0.68 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.23 2min h ARG 415 N 0.97 0.19 0.00 3.15 9.65 -1.31 -3.35 114.38 123.66 2min h ARG 415 Ca 0.25 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 58.84 2min h ARG 415 Cb -0.04 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2min h ARG 415 CO -0.05 0.89 -0.55 0.82 2.80 0.00 0.00 179.97 183.87 2min h ILE 416 N -0.45 1.02 -6.38 1.20 2.04 -0.88 -3.48 117.51 110.59 2min h ILE 416 Ca -0.03 -2.24 -0.45 0.00 1.00 0.00 0.00 64.86 63.15 2min h ILE 416 Cb 0.96 2.36 0.05 0.00 -0.74 0.00 0.00 36.82 39.45 2min h ILE 416 CO 0.05 0.54 -0.92 0.29 0.00 0.00 0.00 178.15 178.11 2min n LYS 417 N -3.34 -1.04 -1.39 2.37 5.02 0.22 -4.96 118.16 115.04 2min n LYS 417 Ca 0.01 0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 56.44 2min n LYS 417 Cb 0.71 -3.69 0.09 0.00 -0.02 0.00 0.00 35.03 32.12 2min n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2min s PRO 418 N -6.00 2.20 0.32 1.97 0.04 -1.26 -4.95 135.00 127.33 2min s PRO 418 Ca 0.40 1.48 0.24 0.00 0.04 0.00 0.00 61.00 63.17 2min s PRO 418 Cb -0.16 -1.87 0.38 0.00 0.04 0.00 0.00 34.50 32.89 2min s PRO 418 CO 0.88 -1.73 1.52 -0.44 0.04 0.00 0.00 177.00 177.27 2min h ASP 419 N -0.61 0.00 -3.87 6.66 3.32 -0.95 -3.46 116.42 117.51 2min h ASP 419 Ca -0.46 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 2min h ASP 419 Cb 1.26 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.58 2min h ASP 419 CO 0.50 0.01 -0.18 -0.22 -1.72 0.00 0.00 179.24 177.63 2min s LEU 420 N -5.53 0.22 -0.06 1.55 2.96 -0.94 -4.13 118.68 112.74 2min s LEU 420 Ca 0.06 0.93 0.05 0.00 -0.22 0.00 0.00 54.13 54.96 2min s LEU 420 Cb 0.08 1.58 -0.01 0.00 0.50 0.00 0.00 46.19 48.34 2min s LEU 420 CO 0.68 -0.16 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.69 2min s ILE 421 N 0.30 1.91 -0.24 6.68 1.01 -0.47 -1.80 121.20 128.60 2min s ILE 421 Ca -0.00 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2min s ILE 421 Cb -0.03 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.85 2min s ILE 421 CO -0.00 0.53 -0.13 -0.83 0.00 0.00 0.00 174.94 174.51 2min s GLY 422 N -0.00 1.58 0.00 6.18 0.00 -0.37 -1.04 107.32 113.67 2min s GLY 422 Ca -0.07 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2min s GLY 422 CO 0.04 0.52 0.00 -1.26 0.00 0.00 0.00 173.10 172.40 2min n SER 423 N 4.49 0.00 -4.47 1.64 2.88 -0.97 -2.00 113.62 115.19 2min n SER 423 Ca -0.16 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.19 2min n SER 423 Cb 0.44 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.94 2min n SER 423 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2min n GLY 424 N 0.00 2.27 0.25 0.46 0.00 -1.26 -0.81 105.19 106.09 2min n GLY 424 Ca 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.82 2min n GLY 424 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2min h ILE 425 N 0.29 1.14 0.00 -0.61 6.09 -1.99 -1.13 117.51 121.29 2min h ILE 425 Ca -0.25 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 2min h ILE 425 Cb 1.07 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2min h ILE 425 CO 0.38 0.18 0.00 0.29 -3.07 0.00 0.00 178.15 175.93 2min n LYS 426 N -4.35 0.06 -0.07 2.19 5.02 -1.26 -3.03 118.16 116.73 2min n LYS 426 Ca -0.01 0.21 -0.06 0.00 -2.02 0.00 0.00 58.31 56.44 2min n LYS 426 Cb 0.21 -1.60 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 2min n LYS 426 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2min n GLU 427 N -1.72 1.30 -0.12 1.97 4.71 -0.52 -4.78 120.64 121.48 2min n GLU 427 Ca 0.04 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.16 57.05 2min n GLU 427 Cb 0.25 -1.41 -0.07 0.00 -1.01 0.00 0.00 31.44 29.20 2min n GLU 427 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2min h LYS 428 N 0.00 -0.36 0.00 3.49 3.64 -1.22 -2.73 116.57 119.39 2min h LYS 428 Ca -0.38 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2min h LYS 428 Cb 1.85 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2min h LYS 428 CO 0.02 -0.24 0.00 0.74 -2.27 0.00 0.00 179.45 177.70 2min h PHE 429 N -0.37 0.00 0.17 1.91 0.04 -1.87 -2.22 116.94 114.60 2min h PHE 429 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2min h PHE 429 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2min h PHE 429 CO -0.66 0.00 -0.08 0.82 -0.60 0.00 0.00 178.31 177.78 2min h ILE 430 N 0.00 0.93 -0.01 -0.55 2.04 -1.80 -2.71 117.51 115.41 2min h ILE 430 Ca 0.00 -0.54 -0.17 0.00 1.00 0.00 0.00 64.86 65.15 2min h ILE 430 Cb 0.71 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2min h ILE 430 CO 0.00 0.12 -0.79 -0.26 0.00 0.00 0.00 178.15 177.23 2min h PHE 431 N -0.49 0.17 -0.60 1.37 0.04 -1.48 -2.73 116.94 113.22 2min h PHE 431 Ca -0.02 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 2min h PHE 431 Cb 0.38 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 2min h PHE 431 CO 0.01 0.86 0.14 1.96 -0.60 0.00 0.00 178.31 180.67 2min h GLN 432 N 0.07 0.94 0.00 1.51 4.20 -1.47 -1.36 115.11 119.01 2min h GLN 432 Ca -0.02 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2min h GLN 432 Cb 1.38 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 2min h GLN 432 CO 0.11 0.85 -0.22 0.87 -0.67 0.00 0.00 178.83 179.77 2min h LYS 433 N 0.90 0.00 -0.00 1.46 1.57 -1.29 -2.12 116.57 117.09 2min h LYS 433 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2min h LYS 433 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2min h LYS 433 CO 0.00 0.22 -0.02 -1.33 -0.57 0.00 0.00 179.45 177.75 2min n MET 434 N -3.86 0.73 -0.65 3.15 2.81 -0.74 -4.91 117.12 113.64 2min n MET 434 Ca -0.02 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2min n MET 434 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2min n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2min n GLY 435 N 1.17 0.73 3.66 3.03 0.00 -0.80 -5.04 105.19 107.94 2min n GLY 435 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2min n GLY 435 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2min s ILE 436 N -2.50 5.09 -0.05 -0.61 1.09 -0.59 -5.00 121.20 118.63 2min s ILE 436 Ca 0.00 1.01 -0.40 0.00 -1.10 0.00 0.00 60.65 60.16 2min s ILE 436 Cb 0.00 -3.87 -0.20 0.00 -1.06 0.00 0.00 42.46 37.34 2min s ILE 436 CO 0.00 0.17 1.11 -2.65 -0.10 0.00 0.00 174.94 173.47 2min n PRO 437 N 4.80 0.00 -4.74 2.79 -0.02 -1.26 -3.71 135.00 132.86 2min n PRO 437 Ca -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.19 2min n PRO 437 Cb 0.50 -1.48 -0.16 0.00 -0.02 0.00 0.00 33.50 32.34 2min n PRO 437 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2min s PHE 438 N 0.31 1.57 -0.05 6.00 2.19 -1.26 -1.37 117.98 125.37 2min s PHE 438 Ca 0.91 -0.45 0.05 0.00 0.33 0.00 0.00 56.93 57.77 2min s PHE 438 Cb -1.28 -1.07 -0.00 0.00 -1.31 0.00 0.00 43.02 39.36 2min s PHE 438 CO 0.59 -0.16 -0.20 1.03 1.83 0.00 0.00 175.22 178.31 2min s ARG 439 N 0.10 2.11 -0.18 10.12 1.81 -0.21 -4.96 118.95 127.74 2min s ARG 439 Ca -0.04 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 52.96 2min s ARG 439 Cb -0.11 -1.79 -0.01 0.00 -0.45 0.00 0.00 34.95 32.59 2min s ARG 439 CO 0.02 0.27 1.15 -1.21 -0.68 0.00 0.00 175.30 174.85 2min s GLU 440 N 0.03 4.26 -0.15 3.54 2.02 -1.26 -2.29 118.70 124.85 2min s GLU 440 Ca -0.05 1.53 0.16 0.00 0.02 0.00 0.00 54.97 56.62 2min s GLU 440 Cb -0.13 -3.69 0.63 0.00 0.10 0.00 0.00 34.13 31.04 2min s GLU 440 CO 0.03 -0.63 1.54 -1.33 0.02 0.00 0.00 175.26 174.89 2min n MET 441 N 6.29 3.63 -0.02 1.61 2.81 0.01 -2.33 117.12 129.11 2min n MET 441 Ca 0.13 -2.84 -0.04 0.00 -1.81 0.00 0.00 57.70 53.14 2min n MET 441 Cb 0.46 -1.89 -0.01 0.00 -0.71 0.00 0.00 33.22 31.06 2min n MET 441 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2min n HIS 442 N 0.32 0.00 1.53 2.03 8.25 -1.26 -4.73 115.22 121.36 2min n HIS 442 Ca 0.23 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.83 2min n HIS 442 Cb 0.91 -0.20 0.60 0.00 1.12 0.00 0.00 29.99 32.42 2min n HIS 442 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2min n SER 443 N -3.57 0.93 -1.58 0.41 3.41 -1.26 -4.89 113.62 107.07 2min n SER 443 Ca -0.06 -1.11 -0.19 0.00 -0.26 0.00 0.00 58.87 57.25 2min n SER 443 Cb 0.21 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 2min n SER 443 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2min n TRP 444 N -0.42 -0.12 -3.79 7.33 5.03 -0.98 -2.14 117.44 122.35 2min n TRP 444 Ca 0.18 0.00 -0.26 0.00 3.03 0.00 0.00 57.50 60.45 2min n TRP 444 Cb 0.29 -3.33 0.04 0.00 -1.03 0.00 0.00 31.31 27.27 2min n TRP 444 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 2min n ASP 445 N -1.20 -3.40 -1.69 -0.99 -0.08 -1.21 -1.71 116.55 106.28 2min n ASP 445 Ca -0.20 -0.77 -0.17 0.00 -1.51 0.00 0.00 54.79 52.14 2min n ASP 445 Cb 0.64 -4.10 -0.03 0.00 2.34 0.00 0.00 41.12 39.97 2min n ASP 445 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2min n TYR 446 N -4.53 -0.50 -3.64 -0.67 4.01 -0.91 -4.97 117.16 105.94 2min n TYR 446 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2min n TYR 446 Cb 0.59 -3.22 0.00 0.00 -0.31 0.00 0.00 39.34 36.41 2min n TYR 446 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2min n SER 447 N -1.03 1.13 0.00 7.72 2.88 -0.69 -5.13 113.62 118.50 2min n SER 447 Ca -0.19 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 2min n SER 447 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2min n SER 447 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2min n GLY 448 N 2.83 0.69 3.72 0.46 0.00 -1.26 -4.72 105.19 106.92 2min n GLY 448 Ca 0.00 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 2min n GLY 448 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2min s PRO 449 N -1.15 1.74 0.00 1.61 0.04 -1.03 -4.94 135.00 131.27 2min s PRO 449 Ca 0.00 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.55 2min s PRO 449 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2min s PRO 449 CO 0.00 -2.07 0.59 0.66 0.04 0.00 0.00 177.00 176.22 2min n TYR 450 N -3.65 0.00 -2.43 0.56 4.02 -1.26 -4.18 117.16 110.22 2min n TYR 450 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.71 2min n TYR 450 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2min n TYR 450 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2min s HIS 451 N -1.16 3.57 0.00 -0.72 3.76 -1.26 -4.00 115.29 115.48 2min s HIS 451 Ca 0.07 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 2min s HIS 451 Cb 0.07 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.29 2min s HIS 451 CO 0.20 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.12 2min n GLY 452 N -2.25 -0.75 0.17 -2.22 0.00 -0.48 -1.89 105.19 97.76 2min n GLY 452 Ca 0.03 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 2min n GLY 452 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2min h PHE 453 N 0.00 0.86 0.00 1.61 0.04 -1.90 -2.97 116.94 114.58 2min h PHE 453 Ca 0.00 -0.50 -0.05 0.00 2.80 0.00 0.00 57.97 60.23 2min h PHE 453 Cb 0.00 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2min h PHE 453 CO 0.00 1.33 -0.22 -0.44 -0.60 0.00 0.00 178.31 178.39 2min h ASP 454 N 0.14 0.00 0.84 2.17 3.32 -1.87 -1.49 116.42 119.53 2min h ASP 454 Ca -0.13 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 2min h ASP 454 Cb 1.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.15 2min h ASP 454 CO 0.18 0.22 -0.52 1.23 -1.72 0.00 0.00 179.24 178.63 2min h GLY 455 N 0.66 0.00 1.60 2.75 0.00 -1.44 -3.18 103.07 103.46 2min h GLY 455 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2min h GLY 455 CO 0.03 0.00 -0.12 -2.75 0.00 0.00 0.00 176.54 173.70 2min h PHE 456 N 0.00 0.52 -0.65 5.60 3.57 -1.10 -0.08 116.94 124.80 2min h PHE 456 Ca -0.01 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2min h PHE 456 Cb 1.08 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2min h PHE 456 CO 0.00 0.59 0.10 0.00 -2.23 0.00 0.00 178.31 176.77 2min h ALA 457 N 1.43 0.86 -0.10 2.41 0.00 -1.52 -0.67 119.26 121.67 2min h ALA 457 Ca 0.08 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2min h ALA 457 Cb 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2min h ALA 457 CO 0.03 0.63 -0.41 0.82 0.00 0.00 0.00 179.25 180.31 2min h ILE 458 N 0.99 1.39 -0.21 0.00 2.04 -1.45 -2.59 117.51 117.68 2min h ILE 458 Ca 0.20 -1.76 0.06 0.00 1.00 0.00 0.00 64.86 64.35 2min h ILE 458 Cb 0.44 2.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.67 2min h ILE 458 CO 0.01 0.52 -0.33 0.15 0.00 0.00 0.00 178.15 178.51 2min h PHE 459 N 0.02 -0.91 -0.22 1.37 3.57 -0.92 -0.39 116.94 119.46 2min h PHE 459 Ca -0.02 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2min h PHE 459 Cb 1.05 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 2min h PHE 459 CO 0.12 -0.40 -0.00 0.00 -2.23 0.00 0.00 178.31 175.79 2min h ALA 460 N 0.49 0.18 -0.02 2.41 0.00 -1.15 0.20 119.26 121.37 2min h ALA 460 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2min h ALA 460 Cb 0.55 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2min h ALA 460 CO -0.41 -0.43 -0.40 0.07 0.00 0.00 0.00 179.25 178.08 2min h ARG 461 N 0.06 0.04 -0.28 0.00 -0.00 -1.24 -1.86 114.38 111.10 2min h ARG 461 Ca 0.10 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.98 59.91 2min h ARG 461 Cb 0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.10 2min h ARG 461 CO -0.18 0.44 -0.41 -0.44 -0.00 0.00 0.00 179.97 179.39 2min h ASP 462 N 0.04 0.85 -0.61 0.08 3.32 -0.39 0.85 116.42 120.55 2min h ASP 462 Ca 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2min h ASP 462 Cb 0.73 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2min h ASP 462 CO 0.05 1.19 0.23 0.24 -1.72 0.00 0.00 179.24 179.24 2min h MET 463 N 0.53 0.92 -0.18 3.56 2.86 -0.86 -2.78 114.93 118.99 2min h MET 463 Ca 0.03 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2min h MET 463 Cb 1.00 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2min h MET 463 CO 0.10 0.79 0.05 0.22 1.06 0.00 0.00 176.91 179.13 2min h ASP 464 N 0.85 0.26 -0.49 1.22 3.58 -1.26 0.03 116.42 120.62 2min h ASP 464 Ca 0.20 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2min h ASP 464 Cb 0.22 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2min h ASP 464 CO -0.01 0.41 0.31 0.00 -2.88 0.00 0.00 179.24 177.06 2min h MET 465 N 0.10 0.67 0.00 0.28 -0.00 -0.71 -0.34 114.93 114.93 2min h MET 465 Ca 0.06 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.70 59.64 2min h MET 465 Cb 0.24 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 2min h MET 465 CO -0.00 0.46 -0.42 1.15 -0.00 0.00 0.00 176.91 178.10 2min h THR 466 N 0.68 1.06 -0.91 -0.10 2.02 -1.45 -3.10 112.91 111.12 2min h THR 466 Ca 0.18 -1.94 0.01 0.00 0.77 0.00 0.00 66.41 65.43 2min h THR 466 Cb -0.04 2.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 2min h THR 466 CO -0.04 0.36 0.60 0.25 0.37 0.00 0.00 175.52 177.07 2min h LEU 467 N -1.00 1.04 -3.81 2.58 5.85 -0.91 -2.32 115.31 116.74 2min h LEU 467 Ca -0.10 -0.03 -0.32 0.00 0.84 0.00 0.00 57.88 58.27 2min h LEU 467 Cb 0.88 -0.26 -0.19 0.00 0.37 0.00 0.00 40.66 41.45 2min h LEU 467 CO -0.06 0.75 0.41 0.59 -0.34 0.00 0.00 178.44 179.79 2min n ASN 468 N -4.40 4.49 -4.74 1.25 3.02 -0.14 -4.95 115.26 109.78 2min n ASN 468 Ca 0.10 -3.34 -0.41 0.00 -0.03 0.00 0.00 54.58 50.91 2min n ASN 468 Cb 0.02 -0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 38.37 2min n ASN 468 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2min s ASN 469 N -1.08 7.31 0.55 6.41 3.84 -0.87 -4.93 114.94 126.16 2min s ASN 469 Ca 0.56 2.11 0.30 0.00 0.21 0.00 0.00 52.86 56.03 2min s ASN 469 Cb 0.45 -2.61 1.47 0.00 -0.55 0.00 0.00 41.25 40.01 2min s ASN 469 CO 0.13 -0.16 1.90 1.55 -2.79 0.00 0.00 177.10 177.72 2min h PRO 470 N 4.74 0.00 0.00 0.43 0.13 -1.92 -2.70 132.00 132.68 2min h PRO 470 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2min h PRO 470 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2min h PRO 470 CO 0.71 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.42 2min h TRP 472 N 0.00 0.00 0.00 0.00 4.06 -1.85 -2.39 115.95 115.77 2min h TRP 472 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2min h TRP 472 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2min h TRP 472 CO 0.00 0.29 0.00 1.63 -3.56 0.00 0.00 178.44 176.80 2min n LYS 473 N -3.63 0.12 -0.65 0.49 4.76 -0.97 -3.76 118.16 114.52 2min n LYS 473 Ca -0.01 0.11 0.04 0.00 -2.87 0.00 0.00 58.31 55.58 2min n LYS 473 Cb 0.41 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.37 2min n LYS 473 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2min n LYS 474 N -1.42 3.03 0.13 1.97 4.76 -0.90 -4.68 118.16 121.06 2min n LYS 474 Ca 0.07 -2.97 0.13 0.00 -2.87 0.00 0.00 58.31 52.67 2min n LYS 474 Cb 0.22 -1.94 0.40 0.00 -1.84 0.00 0.00 35.03 31.87 2min n LYS 474 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2min h LEU 475 N 1.99 0.00 -8.56 -0.35 -0.00 -1.73 -3.43 115.31 103.22 2min h LEU 475 Ca 0.09 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.30 2min h LEU 475 Cb 1.69 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 42.07 2min h LEU 475 CO 0.37 0.00 -0.79 -1.58 -0.00 0.00 0.00 178.44 176.44 2min s GLN 476 N -3.17 3.29 0.37 1.13 0.74 -1.26 -5.09 119.66 115.66 2min s GLN 476 Ca 0.09 -0.73 -0.28 0.00 0.05 0.00 0.00 55.36 54.49 2min s GLN 476 Cb 0.11 -2.55 -0.10 0.00 1.10 0.00 0.00 33.01 31.56 2min s GLN 476 CO 0.57 0.22 1.41 0.00 -0.55 0.00 0.00 175.29 176.94 2min s ALA 477 N 0.32 3.49 -1.97 1.58 0.00 -1.25 -4.87 121.76 119.05 2min s ALA 477 Ca -0.12 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2min s ALA 477 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2min s ALA 477 CO 0.06 -0.92 0.17 -0.35 0.00 0.00 0.00 175.76 174.73 2min n PRO 478 N 0.47 0.00 0.00 0.00 -0.04 -1.26 -0.58 135.00 133.59 2min n PRO 478 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2min n PRO 478 Cb 0.41 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2min n PRO 478 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2min n TRP 479 N -0.67 0.00 -0.14 0.54 2.14 -1.26 -5.33 117.44 112.72 2min n TRP 479 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 2min n TRP 479 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 2min n TRP 479 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15