#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tox h ALA 2 N 0.00 1.00 -0.06 4.61 0.00 -1.95 -2.41 119.26 120.45 1tox h ALA 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1tox h ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1tox h ALA 2 CO 0.00 0.00 -0.62 -0.44 0.00 0.00 0.00 179.25 178.19 1tox h ASP 3 N 0.00 0.26 0.87 0.00 3.32 -1.90 -0.71 116.42 118.26 1tox h ASP 3 Ca 0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1tox h ASP 3 Cb 0.45 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1tox h ASP 3 CO 0.00 0.81 -0.27 0.44 -1.72 0.00 0.00 179.24 178.51 1tox h ASP 4 N 0.17 0.00 0.00 6.45 3.32 -1.82 -3.36 116.42 121.18 1tox h ASP 4 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1tox h ASP 4 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1tox h ASP 4 CO 0.10 0.27 -0.13 1.33 -1.72 0.00 0.00 179.24 179.09 1tox n VAL 5 N -3.45 0.00 -5.01 -1.35 0.24 -1.21 -4.77 118.33 102.78 1tox n VAL 5 Ca -0.00 -0.29 -0.32 0.00 -2.04 0.00 0.00 64.34 61.69 1tox n VAL 5 Cb 0.45 0.88 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 1tox n VAL 5 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1tox s VAL 6 N -0.83 2.56 -0.84 3.34 1.01 -0.28 -0.34 120.40 125.03 1tox s VAL 6 Ca 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 1tox s VAL 6 Cb 0.00 -2.02 0.19 0.00 0.00 0.00 0.00 36.38 34.54 1tox s VAL 6 CO 0.00 0.55 0.86 -0.62 0.00 0.00 0.00 175.10 175.89 1tox s ASP 7 N 0.25 6.68 0.37 3.32 -1.08 0.61 -4.62 116.67 122.20 1tox s ASP 7 Ca -0.13 -2.42 0.04 0.00 -0.52 0.00 0.00 52.55 49.52 1tox s ASP 7 Cb -0.16 -2.27 0.69 0.00 -1.46 0.00 0.00 42.92 39.72 1tox s ASP 7 CO 0.07 -0.75 2.02 0.28 0.52 0.00 0.00 175.17 177.30 1tox h SER 8 N 8.19 0.65 -0.89 -0.34 0.02 -1.93 -1.84 113.55 117.40 1tox h SER 8 Ca 0.09 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.15 1tox h SER 8 Cb 1.04 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.35 1tox h SER 8 CO 0.88 0.48 0.57 -1.28 -1.14 0.00 0.00 176.83 176.35 1tox h SER 9 N 0.76 0.71 -0.58 3.07 0.87 -1.97 -2.72 113.55 113.69 1tox h SER 9 Ca 0.20 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1tox h SER 9 Cb -0.07 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1tox h SER 9 CO -0.04 0.38 0.00 0.29 -0.53 0.00 0.00 176.83 176.93 1tox n LYS 10 N -4.56 3.42 -4.07 2.24 5.02 -0.71 -4.97 118.16 114.54 1tox n LYS 10 Ca 0.17 -2.74 -0.26 0.00 -2.02 0.00 0.00 58.31 53.45 1tox n LYS 10 Cb 0.42 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1tox n LYS 10 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1tox s SER 11 N -1.04 5.62 -0.10 4.39 0.01 -1.03 -4.49 113.70 117.05 1tox s SER 11 Ca 0.46 -0.09 -0.30 0.00 1.31 0.00 0.00 55.95 57.33 1tox s SER 11 Cb 0.29 -1.50 0.11 0.00 0.21 0.00 0.00 66.02 65.14 1tox s SER 11 CO 0.23 0.07 0.91 0.72 0.41 0.00 0.00 173.24 175.58 1tox s PHE 12 N -1.74 -0.42 -0.20 2.43 -0.12 -0.79 -4.99 117.98 112.14 1tox s PHE 12 Ca 0.31 0.63 -0.10 0.00 -0.05 0.00 0.00 56.93 57.71 1tox s PHE 12 Cb -0.10 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1tox s PHE 12 CO 0.24 -0.44 0.15 0.08 -0.05 0.00 0.00 175.22 175.20 1tox s VAL 13 N -1.58 5.39 0.05 -2.49 1.01 -1.26 -0.74 120.40 120.78 1tox s VAL 13 Ca -0.02 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1tox s VAL 13 Cb -0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1tox s VAL 13 CO 0.01 0.42 -0.12 -0.32 0.00 0.00 0.00 175.10 175.08 1tox s MET 14 N 0.50 0.78 -0.12 2.72 0.00 0.44 -4.93 119.30 118.69 1tox s MET 14 Ca 0.09 -0.80 -0.13 0.00 0.00 0.00 0.00 55.69 54.85 1tox s MET 14 Cb -0.12 -0.74 -0.05 0.00 0.00 0.00 0.00 34.83 33.93 1tox s MET 14 CO -0.00 0.17 0.30 -2.00 0.00 0.00 0.00 175.02 173.49 1tox s GLU 15 N -1.39 4.05 -1.27 4.11 -6.30 -1.26 -0.07 118.70 116.58 1tox s GLU 15 Ca -0.02 0.14 -0.03 0.00 -2.50 0.00 0.00 54.97 52.56 1tox s GLU 15 Cb -0.09 -3.34 0.01 0.00 0.00 0.00 0.00 34.13 30.71 1tox s GLU 15 CO 0.01 0.42 1.05 0.09 0.02 0.00 0.00 175.26 176.86 1tox n ASN 16 N 2.92 -3.55 -4.63 -1.70 3.02 0.01 -4.86 115.26 106.47 1tox n ASN 16 Ca -0.13 -0.61 -0.43 0.00 -0.03 0.00 0.00 54.58 53.38 1tox n ASN 16 Cb 0.52 -5.00 -0.03 0.00 -0.61 0.00 0.00 39.78 34.66 1tox n ASN 16 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1tox s PHE 17 N -3.36 1.48 0.17 3.10 5.36 -1.18 -4.70 117.98 118.85 1tox s PHE 17 Ca 0.22 0.21 0.05 0.00 -0.96 0.00 0.00 56.93 56.44 1tox s PHE 17 Cb -0.10 -4.05 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 1tox s PHE 17 CO 0.74 -4.24 0.16 -1.54 -1.46 0.00 0.00 175.22 168.88 1tox s SER 18 N 5.80 5.63 0.38 6.13 1.04 -1.26 -2.18 113.70 129.24 1tox s SER 18 Ca 0.88 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 57.07 1tox s SER 18 Cb -0.34 -1.50 0.05 0.00 0.10 0.00 0.00 66.02 64.33 1tox s SER 18 CO 0.35 0.06 0.76 -0.94 0.98 0.00 0.00 173.24 174.46 1tox s SER 19 N -3.17 0.09 0.11 7.02 1.04 -0.95 -4.97 113.70 112.89 1tox s SER 19 Ca 0.31 -1.19 0.09 0.00 0.48 0.00 0.00 55.95 55.65 1tox s SER 19 Cb -0.10 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1tox s SER 19 CO 0.24 -1.66 -0.23 -0.31 0.98 0.00 0.00 173.24 172.26 1tox s TYR 20 N -2.35 1.98 -0.03 5.02 2.02 0.68 -1.62 117.35 123.05 1tox s TYR 20 Ca 0.17 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1tox s TYR 20 Cb -0.05 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1tox s TYR 20 CO 0.12 0.25 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.72 1tox s HIS 21 N -1.12 0.74 -0.15 2.71 5.65 -0.55 -1.06 115.29 121.52 1tox s HIS 21 Ca 0.09 -0.19 -0.07 0.00 0.25 0.00 0.00 55.06 55.14 1tox s HIS 21 Cb -0.10 -0.59 -0.04 0.00 -1.18 0.00 0.00 32.58 30.67 1tox s HIS 21 CO 0.05 -0.12 0.12 0.20 -0.65 0.00 0.00 174.74 174.33 1tox s GLY 22 N 0.49 2.08 0.22 1.59 0.00 -1.24 -0.92 107.32 109.54 1tox s GLY 22 Ca -0.07 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.02 1tox s GLY 22 CO 0.00 -0.21 -0.02 -1.08 0.00 0.00 0.00 173.10 171.79 1tox s THR 23 N -0.51 1.12 0.58 0.90 -1.32 0.24 -4.58 115.64 112.06 1tox s THR 23 Ca 0.12 -2.05 -0.09 0.00 -1.21 0.00 0.00 61.69 58.46 1tox s THR 23 Cb -0.12 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 1tox s THR 23 CO 0.02 -0.39 0.95 -0.54 -2.21 0.00 0.00 174.62 172.45 1tox s LYS 24 N -3.83 3.49 0.44 7.08 -0.14 -1.26 -1.44 119.74 124.09 1tox s LYS 24 Ca 0.27 0.52 -0.25 0.00 -1.36 0.00 0.00 55.97 55.14 1tox s LYS 24 Cb 0.05 -2.18 -0.09 0.00 -1.68 0.00 0.00 37.83 33.93 1tox s LYS 24 CO 0.08 -0.49 1.30 -2.30 -0.76 0.00 0.00 175.35 173.18 1tox n PRO 25 N -2.60 1.96 0.00 -1.68 -0.02 -1.26 -2.07 135.00 129.32 1tox n PRO 25 Ca 0.04 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1tox n PRO 25 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1tox n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tox n GLY 26 N 0.77 3.37 0.23 -1.23 0.00 -1.26 -4.84 105.19 102.23 1tox n GLY 26 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1tox n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tox n TYR 27 N -1.83 0.00 0.14 1.61 4.02 -0.88 -4.61 117.16 115.61 1tox n TYR 27 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1tox n TYR 27 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 39.78 1tox n TYR 27 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1tox h VAL 28 N 1.12 1.12 0.05 -0.72 2.07 -1.89 -1.32 116.25 116.68 1tox h VAL 28 Ca 0.00 -0.49 -0.26 0.00 0.82 0.00 0.00 66.70 66.76 1tox h VAL 28 Cb 0.25 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1tox h VAL 28 CO 0.00 0.16 -1.42 0.44 0.02 0.00 0.00 177.57 176.77 1tox h ASP 29 N 0.22 0.17 0.45 0.57 3.32 -1.94 -3.38 116.42 115.83 1tox h ASP 29 Ca 0.05 -0.70 -0.04 0.00 0.02 0.00 0.00 57.03 56.36 1tox h ASP 29 Cb 0.21 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1tox h ASP 29 CO 0.01 1.59 -0.20 0.77 -1.72 0.00 0.00 179.24 179.68 1tox h SER 30 N -0.62 0.00 1.05 6.45 4.64 -1.80 -2.88 113.55 120.39 1tox h SER 30 Ca -0.35 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 1tox h SER 30 Cb 1.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1tox h SER 30 CO -0.08 0.20 -0.29 -0.29 -0.87 0.00 0.00 176.83 175.50 1tox h ILE 31 N 0.00 0.64 0.00 0.95 2.10 -1.43 -2.86 117.51 116.91 1tox h ILE 31 Ca -0.00 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 64.58 1tox h ILE 31 Cb 0.48 1.91 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 1tox h ILE 31 CO 0.03 0.28 0.00 0.00 -1.08 0.00 0.00 178.15 177.38 1tox n GLN 32 N -3.37 0.28 0.11 2.19 6.02 -1.09 -2.16 117.38 119.36 1tox n GLN 32 Ca 0.01 0.09 0.04 0.00 -0.01 0.00 0.00 57.00 57.13 1tox n GLN 32 Cb 0.50 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.26 1tox n GLN 32 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1tox h LYS 33 N 0.00 0.00 0.00 -1.09 1.57 -1.65 -3.42 116.57 111.98 1tox h LYS 33 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tox h LYS 33 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1tox h LYS 33 CO 0.00 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 1tox n GLY 34 N 1.25 3.70 3.72 3.86 0.00 -0.92 -5.06 105.19 111.75 1tox n GLY 34 Ca -0.01 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1tox n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tox s ILE 35 N -2.00 4.98 -0.19 -0.61 -1.09 -1.26 -4.76 121.20 116.27 1tox s ILE 35 Ca 0.00 1.49 -0.14 0.00 -2.23 0.00 0.00 60.65 59.78 1tox s ILE 35 Cb 0.00 -4.06 0.06 0.00 -1.58 0.00 0.00 42.46 36.88 1tox s ILE 35 CO 0.00 0.28 0.49 -1.58 -1.23 0.00 0.00 174.94 172.90 1tox s GLN 36 N 0.61 0.52 -0.23 2.79 0.74 -1.26 -4.28 119.66 118.54 1tox s GLN 36 Ca 0.38 0.82 -0.32 0.00 0.05 0.00 0.00 55.36 56.30 1tox s GLN 36 Cb -0.18 0.13 -0.08 0.00 1.10 0.00 0.00 33.01 33.97 1tox s GLN 36 CO 0.19 -0.12 2.15 1.17 -0.55 0.00 0.00 175.29 178.14 1tox n LYS 37 N 3.69 1.72 -0.02 1.67 4.81 -1.26 -5.15 118.16 123.62 1tox n LYS 37 Ca -0.19 0.51 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 1tox n LYS 37 Cb 0.56 -2.88 -0.07 0.00 0.02 0.00 0.00 35.03 32.66 1tox n LYS 37 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1tox h PRO 38 N 13.14 0.13 -5.82 1.64 0.11 -2.01 -3.55 132.00 135.64 1tox h PRO 38 Ca -0.38 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.45 1tox h PRO 38 Cb 1.27 -0.01 0.13 0.00 0.11 0.00 0.00 31.00 32.50 1tox h PRO 38 CO 0.98 0.36 -0.82 -0.40 -0.21 0.00 0.00 178.00 177.91 1tox n ASP 47 N -4.87 -2.65 -0.18 -2.05 5.75 -1.26 -5.54 116.55 105.75 1tox n ASP 47 Ca -0.06 -0.17 -0.00 0.00 -0.01 0.00 0.00 54.79 54.55 1tox n ASP 47 Cb 0.17 -0.66 0.24 0.00 -1.03 0.00 0.00 41.12 39.85 1tox n ASP 47 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1tox h ASP 48 N -2.07 0.82 -0.34 -1.12 3.32 -2.02 -1.82 116.42 113.19 1tox h ASP 48 Ca -0.24 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 56.86 1tox h ASP 48 Cb 0.76 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1tox h ASP 48 CO 0.15 0.64 0.42 0.44 -1.72 0.00 0.00 179.24 179.17 1tox h ASP 49 N 0.94 0.00 -0.16 6.45 3.32 -1.94 -1.77 116.42 123.26 1tox h ASP 49 Ca 0.25 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1tox h ASP 49 Cb -0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1tox h ASP 49 CO -0.04 0.00 -0.01 0.79 -1.72 0.00 0.00 179.24 178.26 1tox n TRP 50 N -3.59 0.57 -2.27 4.55 7.02 -0.69 -1.46 117.44 121.56 1tox n TRP 50 Ca 0.06 -0.95 -0.43 0.00 -1.02 0.00 0.00 57.50 55.16 1tox n TRP 50 Cb 0.57 -0.25 -0.02 0.00 -2.42 0.00 0.00 31.31 29.18 1tox n TRP 50 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1tox s LYS 51 N -2.87 3.96 0.05 -0.99 -0.14 -0.67 -4.91 119.74 114.17 1tox s LYS 51 Ca 0.38 1.56 -0.28 0.00 -1.36 0.00 0.00 55.97 56.28 1tox s LYS 51 Cb 0.32 -3.92 0.10 0.00 -1.68 0.00 0.00 37.83 32.64 1tox s LYS 51 CO 0.06 -1.08 1.18 0.20 -0.76 0.00 0.00 175.35 174.95 1tox s GLY 52 N 3.21 -0.26 -0.02 -3.33 0.00 -1.26 -4.69 107.32 100.97 1tox s GLY 52 Ca 0.63 0.33 -0.27 0.00 0.00 0.00 0.00 44.72 45.41 1tox s GLY 52 CO 0.24 1.21 0.85 -0.12 0.00 0.00 0.00 173.10 175.28 1tox s PHE 53 N -2.52 3.64 -0.21 1.90 5.36 -0.24 -4.87 117.98 121.03 1tox s PHE 53 Ca 0.17 1.50 -0.05 0.00 -0.96 0.00 0.00 56.93 57.59 1tox s PHE 53 Cb 0.02 -2.96 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 1tox s PHE 53 CO -0.01 0.06 -0.00 0.71 -1.46 0.00 0.00 175.22 174.52 1tox s TYR 54 N 0.79 3.03 0.39 10.12 1.51 -1.26 -0.86 117.35 131.07 1tox s TYR 54 Ca 0.45 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1tox s TYR 54 Cb -0.20 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 1tox s TYR 54 CO 0.24 -0.31 0.14 -1.54 -1.11 0.00 0.00 175.55 172.97 1tox s SER 55 N 1.15 2.58 0.21 2.29 1.04 -1.08 -4.74 113.70 115.15 1tox s SER 55 Ca 0.03 -1.65 -0.09 0.00 0.48 0.00 0.00 55.95 54.71 1tox s SER 55 Cb -0.14 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1tox s SER 55 CO 0.01 -0.92 0.35 0.28 0.98 0.00 0.00 173.24 173.94 1tox s THR 56 N -3.27 0.02 -1.21 2.02 -1.32 -0.22 -1.24 115.64 110.42 1tox s THR 56 Ca 0.27 -1.53 0.26 0.00 -1.21 0.00 0.00 61.69 59.48 1tox s THR 56 Cb 0.03 -2.17 0.10 0.00 -1.51 0.00 0.00 72.50 68.95 1tox s THR 56 CO 0.16 -0.08 1.50 -0.90 -2.21 0.00 0.00 174.62 173.09 1tox n ASP 57 N -0.31 0.59 -4.38 8.08 5.75 -1.20 -0.23 116.55 124.85 1tox n ASP 57 Ca -0.02 -0.37 -0.36 0.00 -0.01 0.00 0.00 54.79 54.02 1tox n ASP 57 Cb 0.63 0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.75 1tox n ASP 57 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1tox s ASN 58 N -2.86 4.76 0.36 -1.12 3.84 -1.26 -4.81 114.94 113.85 1tox s ASN 58 Ca 0.15 -0.32 0.17 0.00 0.21 0.00 0.00 52.86 53.07 1tox s ASN 58 Cb 0.18 -1.84 0.65 0.00 -0.55 0.00 0.00 41.25 39.69 1tox s ASN 58 CO 0.64 -0.04 1.73 0.07 -2.79 0.00 0.00 177.10 176.71 1tox h LYS 59 N 8.18 0.00 0.00 0.43 2.10 -1.94 -1.50 116.57 123.83 1tox h LYS 59 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1tox h LYS 59 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1tox h LYS 59 CO 0.59 0.41 -0.39 1.88 -2.00 0.00 0.00 179.45 179.94 1tox h TYR 60 N 0.00 0.00 0.13 0.07 0.05 -1.94 -1.70 116.97 113.59 1tox h TYR 60 Ca -0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 1tox h TYR 60 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1tox h TYR 60 CO 0.00 0.00 -1.45 -0.44 -1.05 0.00 0.00 178.16 175.22 1tox h ASP 61 N 0.00 0.44 -0.56 3.88 3.32 -1.88 -3.30 116.42 118.32 1tox h ASP 61 Ca 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 1tox h ASP 61 Cb 0.84 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1tox h ASP 61 CO 0.00 1.45 0.30 0.00 -1.72 0.00 0.00 179.24 179.27 1tox h ALA 62 N 0.49 0.71 -1.05 3.45 0.00 -1.18 -2.93 119.26 118.75 1tox h ALA 62 Ca -0.21 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 54.87 1tox h ALA 62 Cb 2.02 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 19.48 1tox h ALA 62 CO 0.18 0.24 0.67 0.00 0.00 0.00 0.00 179.25 180.34 1tox h ALA 63 N 1.13 2.21 0.00 0.00 0.00 -1.39 -1.06 119.26 120.15 1tox h ALA 63 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1tox h ALA 63 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1tox h ALA 63 CO -0.03 -0.64 0.00 0.78 0.00 0.00 0.00 179.25 179.36 1tox h GLY 64 N 0.39 0.00 -1.65 0.00 0.00 -1.65 -2.21 103.07 97.96 1tox h GLY 64 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1tox h GLY 64 CO -0.33 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.49 1tox n TYR 65 N -2.50 0.57 1.17 5.60 4.01 -0.40 -4.40 117.16 121.21 1tox n TYR 65 Ca 0.00 -0.29 0.13 0.00 -0.16 0.00 0.00 57.90 57.58 1tox n TYR 65 Cb 0.16 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.45 1tox n TYR 65 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1tox n SER 66 N 0.84 2.44 -4.72 7.72 3.41 -0.83 -4.28 113.62 118.20 1tox n SER 66 Ca 0.16 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.55 1tox n SER 66 Cb 0.40 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1tox n SER 66 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tox s VAL 67 N -1.98 4.81 -0.33 -3.33 1.01 -1.26 -0.86 120.40 118.46 1tox s VAL 67 Ca 0.32 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.87 1tox s VAL 67 Cb 0.20 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 1tox s VAL 67 CO 0.31 0.24 1.30 -0.67 0.00 0.00 0.00 175.10 176.28 1tox n ASP 68 N 3.47 0.57 0.22 3.32 2.03 0.01 -4.77 116.55 121.40 1tox n ASP 68 Ca 0.02 0.53 0.17 0.00 0.52 0.00 0.00 54.79 56.04 1tox n ASP 68 Cb 0.51 -0.58 0.75 0.00 -0.72 0.00 0.00 41.12 41.08 1tox n ASP 68 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1tox h ASN 69 N 5.15 0.00 0.01 1.67 7.08 -1.91 0.35 115.58 127.93 1tox h ASN 69 Ca -0.12 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.10 1tox h ASN 69 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 1tox h ASN 69 CO 0.69 0.00 -0.18 -0.62 -2.08 0.00 0.00 177.43 175.24 1tox n GLU 70 N -3.24 1.67 -3.09 4.14 -0.58 -1.26 -4.30 120.64 113.98 1tox n GLU 70 Ca 0.03 -1.29 -0.18 0.00 -0.42 0.00 0.00 57.16 55.30 1tox n GLU 70 Cb 0.52 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 1tox n GLU 70 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1tox n ASN 71 N 0.46 -0.16 0.26 1.62 3.02 0.09 -4.99 115.26 115.57 1tox n ASN 71 Ca 0.13 -3.03 0.10 0.00 -0.03 0.00 0.00 54.58 51.75 1tox n ASN 71 Cb 0.48 -0.06 0.68 0.00 -0.61 0.00 0.00 39.78 40.28 1tox n ASN 71 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1tox h PRO 72 N 3.42 0.00 0.09 3.52 0.13 -1.69 0.54 132.00 138.00 1tox h PRO 72 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1tox h PRO 72 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1tox h PRO 72 CO 0.42 0.07 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.15 1tox h LEU 73 N 0.00 -0.10 0.00 1.56 3.38 -1.94 -3.42 115.31 114.79 1tox h LEU 73 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tox h LEU 73 Cb 0.15 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1tox h LEU 73 CO 0.01 0.38 -0.85 -1.54 0.09 0.00 0.00 178.44 176.52 1tox n SER 74 N -4.82 0.86 -4.15 -0.43 3.41 -1.24 -5.04 113.62 102.21 1tox n SER 74 Ca -0.02 -0.67 -0.33 0.00 -0.26 0.00 0.00 58.87 57.60 1tox n SER 74 Cb 0.05 1.13 0.14 0.00 -0.26 0.00 0.00 64.21 65.26 1tox n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tox n GLY 75 N 1.40 -2.61 3.77 5.00 0.00 0.19 -4.71 105.19 108.22 1tox n GLY 75 Ca 0.02 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 1tox n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tox s LYS 76 N -3.10 4.64 -0.15 1.61 -0.14 -1.26 -4.72 119.74 116.63 1tox s LYS 76 Ca 0.49 1.29 -0.12 0.00 -1.36 0.00 0.00 55.97 56.28 1tox s LYS 76 Cb -0.06 -3.10 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1tox s LYS 76 CO 0.63 0.46 0.23 0.00 -0.76 0.00 0.00 175.35 175.91 1tox s ALA 77 N -1.33 3.68 0.00 5.17 0.00 -1.26 -0.80 121.76 127.22 1tox s ALA 77 Ca 0.42 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1tox s ALA 77 Cb -0.22 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1tox s ALA 77 CO 0.27 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1tox n GLY 78 N 3.02 1.68 2.14 0.00 0.00 -0.04 -3.57 105.19 108.42 1tox n GLY 78 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1tox n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tox n GLY 79 N 2.68 0.48 3.09 -0.02 0.00 -0.52 -0.92 105.19 109.99 1tox n GLY 79 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1tox n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tox s VAL 80 N -2.11 1.36 0.12 1.61 1.01 -0.33 -0.59 120.40 121.47 1tox s VAL 80 Ca 0.16 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1tox s VAL 80 Cb -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1tox s VAL 80 CO 0.00 0.40 -0.24 0.68 0.00 0.00 0.00 175.10 175.95 1tox s VAL 81 N 0.34 1.99 -0.23 2.92 -7.23 -0.10 0.14 120.40 118.24 1tox s VAL 81 Ca -0.10 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 1tox s VAL 81 Cb -0.14 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1tox s VAL 81 CO 0.04 -0.01 0.15 -0.75 -0.31 0.00 0.00 175.10 174.21 1tox s LYS 82 N -2.06 4.10 -0.20 4.82 2.20 0.22 -1.48 119.74 127.34 1tox s LYS 82 Ca 0.11 -0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1tox s LYS 82 Cb -0.10 -3.49 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1tox s LYS 82 CO 0.05 0.14 -0.08 0.14 -0.36 0.00 0.00 175.35 175.25 1tox s VAL 83 N 0.81 3.13 -0.09 4.02 -7.23 -0.64 -0.25 120.40 120.16 1tox s VAL 83 Ca 0.08 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 1tox s VAL 83 Cb -0.13 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1tox s VAL 83 CO 0.02 0.45 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.18 1tox s THR 84 N 1.32 2.54 -0.28 5.32 2.01 0.68 -2.23 115.64 125.01 1tox s THR 84 Ca 0.04 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 61.03 1tox s THR 84 Cb -0.14 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1tox s THR 84 CO -0.04 0.55 0.35 -0.31 -0.69 0.00 0.00 174.62 174.48 1tox s TYR 85 N 0.07 3.24 0.80 4.92 2.02 -0.93 0.02 117.35 127.48 1tox s TYR 85 Ca -0.08 0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.82 1tox s TYR 85 Cb -0.15 -2.56 0.07 0.00 -0.40 0.00 0.00 41.96 38.92 1tox s TYR 85 CO 0.05 -0.25 1.09 -1.25 -1.57 0.00 0.00 175.55 173.63 1tox s PRO 86 N 2.02 2.07 2.62 -1.71 0.04 -1.26 -3.09 135.00 135.70 1tox s PRO 86 Ca 0.13 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1tox s PRO 86 Cb -0.16 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1tox s PRO 86 CO 0.10 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.79 1tox n GLY 87 N -1.15 -0.62 3.70 0.56 0.00 -1.26 -4.70 105.19 101.72 1tox n GLY 87 Ca 0.09 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1tox n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tox s LEU 88 N 0.00 4.19 -0.08 0.99 2.01 -1.26 -0.81 118.68 123.72 1tox s LEU 88 Ca 0.00 0.34 0.04 0.00 0.01 0.00 0.00 54.13 54.53 1tox s LEU 88 Cb 0.00 -2.26 -0.01 0.00 0.01 0.00 0.00 46.19 43.93 1tox s LEU 88 CO 0.00 0.08 -0.23 -0.89 1.01 0.00 0.00 176.35 176.32 1tox s THR 89 N 0.74 2.24 -0.33 5.49 2.01 0.90 0.14 115.64 126.84 1tox s THR 89 Ca 0.13 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 1tox s THR 89 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1tox s THR 89 CO 0.03 0.56 0.37 -0.75 -0.69 0.00 0.00 174.62 174.15 1tox s LYS 90 N 0.03 3.67 -0.45 4.92 2.47 -0.17 -0.42 119.74 129.80 1tox s LYS 90 Ca -0.09 -0.30 -0.21 0.00 -1.56 0.00 0.00 55.97 53.81 1tox s LYS 90 Cb -0.15 -3.77 0.03 0.00 -1.46 0.00 0.00 37.83 32.48 1tox s LYS 90 CO 0.06 -0.47 0.65 0.08 0.16 0.00 0.00 175.35 175.83 1tox s VAL 91 N 2.05 4.81 -0.36 4.02 1.01 0.09 -1.27 120.40 130.75 1tox s VAL 91 Ca 0.13 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 1tox s VAL 91 Cb -0.16 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1tox s VAL 91 CO 0.11 -0.63 0.34 -0.22 0.00 0.00 0.00 175.10 174.69 1tox s LEU 92 N 2.85 4.59 -0.11 3.92 2.96 -0.28 -1.89 118.68 130.73 1tox s LEU 92 Ca 0.22 -0.42 -0.24 0.00 -0.22 0.00 0.00 54.13 53.48 1tox s LEU 92 Cb -0.14 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1tox s LEU 92 CO 0.18 -0.36 0.73 0.00 -1.32 0.00 0.00 176.35 175.59 1tox s ALA 93 N 1.92 3.40 -0.11 5.97 0.00 -1.26 0.01 121.76 131.70 1tox s ALA 93 Ca 0.10 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1tox s ALA 93 Cb -0.17 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1tox s ALA 93 CO 0.11 -0.31 0.16 -0.51 0.00 0.00 0.00 175.76 175.21 1tox s LEU 94 N 1.30 4.39 0.00 0.00 1.43 -0.14 -0.28 118.68 125.38 1tox s LEU 94 Ca 0.37 0.49 0.25 0.00 -1.03 0.00 0.00 54.13 54.21 1tox s LEU 94 Cb -0.17 -2.12 0.45 0.00 0.03 0.00 0.00 46.19 44.38 1tox s LEU 94 CO 0.16 0.40 1.38 0.29 0.23 0.00 0.00 176.35 178.81 1tox n LYS 95 N 1.93 1.34 -3.82 1.70 5.02 0.54 -4.71 118.16 120.17 1tox n LYS 95 Ca -0.19 -0.98 -0.11 0.00 -2.02 0.00 0.00 58.31 55.01 1tox n LYS 95 Cb 0.55 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 1tox n LYS 95 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1tox s VAL 96 N -2.33 0.09 -0.84 -0.18 0.11 -1.26 -4.99 120.40 110.99 1tox s VAL 96 Ca 0.25 -0.71 0.10 0.00 -2.93 0.00 0.00 61.98 58.69 1tox s VAL 96 Cb 0.19 -0.73 0.29 0.00 -1.53 0.00 0.00 36.38 34.60 1tox s VAL 96 CO 0.47 -0.39 1.24 -0.90 -3.33 0.00 0.00 175.10 172.19 1tox n ASP 97 N 0.99 2.89 -4.56 3.54 5.75 -1.26 -4.93 116.55 118.97 1tox n ASP 97 Ca -0.20 -2.03 -0.43 0.00 -0.01 0.00 0.00 54.79 52.12 1tox n ASP 97 Cb 0.57 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.39 1tox n ASP 97 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1tox s ASN 98 N -1.03 6.46 0.46 -1.12 3.84 -1.26 -4.95 114.94 117.34 1tox s ASN 98 Ca 0.22 0.05 0.13 0.00 0.21 0.00 0.00 52.86 53.47 1tox s ASN 98 Cb 0.12 -2.40 1.03 0.00 -0.55 0.00 0.00 41.25 39.46 1tox s ASN 98 CO 0.15 -0.88 2.04 0.00 -2.79 0.00 0.00 177.10 175.62 1tox h ALA 99 N 8.84 1.77 -0.34 1.71 0.00 -1.97 -1.84 119.26 127.43 1tox h ALA 99 Ca -0.25 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1tox h ALA 99 Cb 1.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1tox h ALA 99 CO 0.95 0.18 -0.44 1.49 0.00 0.00 0.00 179.25 181.43 1tox h GLU 100 N 0.12 0.88 -0.50 0.00 4.57 -1.97 -0.17 114.58 117.51 1tox h GLU 100 Ca 0.03 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1tox h GLU 100 Cb 0.16 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1tox h GLU 100 CO 0.01 1.14 0.22 1.15 -1.18 0.00 0.00 179.01 180.35 1tox h THR 101 N 0.71 1.20 0.74 0.32 2.02 -1.86 -0.28 112.91 115.76 1tox h THR 101 Ca 0.04 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1tox h THR 101 Cb 1.04 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1tox h THR 101 CO 0.10 0.23 -0.36 0.40 0.37 0.00 0.00 175.52 176.27 1tox h ILE 102 N 0.67 0.23 -0.80 3.11 2.04 -1.15 0.12 117.51 121.72 1tox h ILE 102 Ca 0.17 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1tox h ILE 102 Cb 0.15 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1tox h ILE 102 CO -0.02 0.01 0.44 0.11 0.00 0.00 0.00 178.15 178.69 1tox h LYS 103 N -1.07 0.70 0.50 2.37 1.57 -1.01 0.12 116.57 119.75 1tox h LYS 103 Ca -0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1tox h LYS 103 Cb 0.78 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1tox h LYS 103 CO 0.17 0.47 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.05 1tox h LYS 104 N 0.72 -0.65 -0.53 3.15 3.64 -0.89 0.91 116.57 122.93 1tox h LYS 104 Ca 0.40 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.98 1tox h LYS 104 Cb 0.41 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1tox h LYS 104 CO -0.27 -0.43 0.39 0.93 -2.27 0.00 0.00 179.45 177.80 1tox h GLU 105 N -0.78 0.00 -0.27 1.90 4.39 -0.55 0.67 114.58 119.94 1tox h GLU 105 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1tox h GLU 105 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1tox h GLU 105 CO 0.11 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.24 1tox n LEU 106 N -4.30 2.10 -0.90 1.33 4.77 0.39 -3.10 117.00 117.28 1tox n LEU 106 Ca 0.10 -0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 55.03 1tox n LEU 106 Cb 0.62 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1tox n LEU 106 CO 0.36 0.47 -0.11 0.61 -1.33 0.00 0.00 177.39 177.39 1tox n GLY 107 N 1.20 1.17 3.59 -0.72 0.00 0.24 -4.98 105.19 105.68 1tox n GLY 107 Ca 0.16 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1tox n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tox s LEU 108 N -2.66 1.14 -0.06 0.99 1.43 0.31 -4.91 118.68 114.92 1tox s LEU 108 Ca 0.00 1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 54.06 1tox s LEU 108 Cb 0.00 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1tox s LEU 108 CO 0.00 -3.67 1.56 -0.55 0.23 0.00 0.00 176.35 173.91 1tox s SER 109 N -3.11 6.73 0.00 2.29 0.15 -1.26 -4.62 113.70 113.88 1tox s SER 109 Ca 0.67 2.14 0.09 0.00 0.70 0.00 0.00 55.95 59.55 1tox s SER 109 Cb -0.21 -2.54 0.54 0.00 -1.71 0.00 0.00 66.02 62.10 1tox s SER 109 CO 0.60 -0.87 1.01 0.18 1.20 0.00 0.00 173.24 175.36 1tox n LEU 110 N 6.73 0.00 -0.07 3.45 4.32 -1.26 -3.63 117.00 126.54 1tox n LEU 110 Ca 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 56.03 1tox n LEU 110 Cb 0.43 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.19 1tox n LEU 110 CO 0.61 0.00 -0.75 0.41 -1.22 0.00 0.00 177.39 176.43 1tox n THR 111 N -0.76 1.31 -1.74 -5.08 -1.04 -1.26 -5.02 114.28 100.68 1tox n THR 111 Ca 0.07 0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 1tox n THR 111 Cb 0.03 -2.00 0.04 0.00 -1.82 0.00 0.00 70.33 66.58 1tox n THR 111 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1tox n GLU 112 N -4.09 1.73 -1.68 -2.82 2.13 -1.24 -4.89 120.64 109.78 1tox n GLU 112 Ca -0.21 0.63 -0.45 0.00 0.66 0.00 0.00 57.16 57.79 1tox n GLU 112 Cb 0.53 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.64 1tox n GLU 112 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1tox n PRO 113 N -0.91 2.24 -0.19 5.31 -0.02 -1.26 -4.81 135.00 135.36 1tox n PRO 113 Ca 0.10 0.81 -0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1tox n PRO 113 Cb 0.44 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1tox n PRO 113 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1tox h LEU 114 N 5.51 -1.13 -1.29 2.45 5.85 -1.83 0.90 115.31 125.77 1tox h LEU 114 Ca -0.45 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1tox h LEU 114 Cb 1.25 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 1tox h LEU 114 CO 0.86 -0.30 0.21 0.24 -0.34 0.00 0.00 178.44 179.10 1tox h MET 115 N -0.17 0.69 -0.74 1.25 2.86 -1.51 0.58 114.93 117.89 1tox h MET 115 Ca 0.22 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1tox h MET 115 Cb 0.55 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1tox h MET 115 CO -0.65 0.56 0.32 0.93 1.06 0.00 0.00 176.91 179.13 1tox h GLU 116 N 0.69 1.10 0.00 1.72 5.08 -1.20 -1.42 114.58 120.55 1tox h GLU 116 Ca 0.17 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1tox h GLU 116 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1tox h GLU 116 CO -0.02 0.88 -0.37 1.96 -1.00 0.00 0.00 179.01 180.47 1tox h GLN 117 N 1.06 0.00 0.00 2.33 4.20 0.45 -2.85 115.11 120.30 1tox h GLN 117 Ca 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1tox h GLN 117 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1tox h GLN 117 CO -0.02 0.37 -0.07 0.28 -0.67 0.00 0.00 178.83 178.71 1tox h VAL 118 N 0.00 0.53 -0.55 -0.54 2.07 0.19 -2.61 116.25 115.35 1tox h VAL 118 Ca -0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1tox h VAL 118 Cb 0.75 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1tox h VAL 118 CO 0.05 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1tox n GLY 119 N -0.91 2.43 3.89 2.17 0.00 -1.08 -4.62 105.19 107.08 1tox n GLY 119 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1tox n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tox s THR 120 N -1.96 4.93 0.08 2.61 -4.23 -0.99 -4.93 115.64 111.15 1tox s THR 120 Ca 0.45 0.32 -0.24 0.00 -1.18 0.00 0.00 61.69 61.04 1tox s THR 120 Cb 0.30 -3.71 -0.16 0.00 1.34 0.00 0.00 72.50 70.27 1tox s THR 120 CO 0.20 -0.34 1.70 -0.33 -0.54 0.00 0.00 174.62 175.31 1tox h GLU 121 N 1.70 -0.05 -0.33 3.99 3.07 -1.92 -1.80 114.58 119.24 1tox h GLU 121 Ca -0.47 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.46 1tox h GLU 121 Cb 1.19 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 29.03 1tox h GLU 121 CO 0.66 -0.00 -0.18 1.49 -1.40 0.00 0.00 179.01 179.57 1tox h GLU 122 N -0.08 -0.13 -0.94 2.33 4.81 -1.94 0.54 114.58 119.17 1tox h GLU 122 Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1tox h GLU 122 Cb 0.07 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1tox h GLU 122 CO 0.01 -0.09 0.56 0.35 -0.73 0.00 0.00 179.01 179.11 1tox h PHE 123 N -0.14 1.25 0.00 0.92 3.04 -1.79 0.21 116.94 120.44 1tox h PHE 123 Ca 0.17 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.00 1tox h PHE 123 Cb 0.40 -0.41 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 1tox h PHE 123 CO -0.39 0.83 -0.51 0.82 -2.02 0.00 0.00 178.31 177.04 1tox h ILE 124 N 1.30 1.15 0.03 1.41 2.04 -0.46 -1.15 117.51 121.83 1tox h ILE 124 Ca 0.34 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 1tox h ILE 124 Cb -0.04 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1tox h ILE 124 CO -0.06 0.50 -0.02 0.50 0.00 0.00 0.00 178.15 179.07 1tox h LYS 125 N 0.00 -0.04 0.48 2.37 3.64 0.74 -1.33 116.57 122.43 1tox h LYS 125 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1tox h LYS 125 Cb 1.05 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1tox h LYS 125 CO 0.07 0.54 -0.23 0.00 -2.27 0.00 0.00 179.45 177.56 1tox h ARG 126 N -0.66 -0.62 -0.37 1.90 3.08 -0.48 -3.35 114.38 113.89 1tox h ARG 126 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1tox h ARG 126 Cb 0.60 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1tox h ARG 126 CO 0.01 -0.38 0.00 1.19 -1.07 0.00 0.00 179.97 179.71 1tox n PHE 127 N -5.34 0.49 0.20 3.04 3.72 -0.45 -4.57 117.46 114.55 1tox n PHE 127 Ca -0.12 -0.47 0.12 0.00 -0.05 0.00 0.00 57.45 56.93 1tox n PHE 127 Cb 0.28 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.88 1tox n PHE 127 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1tox h GLY 128 N 2.25 0.00 -6.34 1.37 0.00 -1.37 -3.48 103.07 95.50 1tox h GLY 128 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1tox h GLY 128 CO 0.00 0.00 -0.81 1.22 0.00 0.00 0.00 176.54 176.95 1tox n ASP 129 N -2.73 -2.77 0.00 0.19 8.00 -1.26 -1.24 116.55 116.74 1tox n ASP 129 Ca 0.02 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1tox n ASP 129 Cb 0.53 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1tox n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tox n GLY 130 N -1.68 2.07 3.78 0.44 0.00 -1.26 -5.02 105.19 103.52 1tox n GLY 130 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1tox n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tox s ALA 131 N -2.56 2.53 0.40 4.61 0.00 -0.38 -4.92 121.76 121.45 1tox s ALA 131 Ca 0.00 0.50 0.18 0.00 0.00 0.00 0.00 51.96 52.64 1tox s ALA 131 Cb 0.00 -3.30 1.03 0.00 0.00 0.00 0.00 23.12 20.85 1tox s ALA 131 CO 0.00 -1.18 1.95 0.77 0.00 0.00 0.00 175.76 177.30 1tox h SER 132 N 0.09 0.00 -5.17 0.00 0.02 0.89 -3.46 113.55 105.91 1tox h SER 132 Ca -0.47 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.38 1tox h SER 132 Cb 1.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1tox h SER 132 CO 0.55 0.23 0.13 0.00 -1.14 0.00 0.00 176.83 176.60 1tox s ARG 133 N -4.33 2.16 -0.03 3.45 3.03 -1.25 -5.05 118.95 116.94 1tox s ARG 133 Ca -0.03 -1.57 0.04 0.00 2.03 0.00 0.00 55.73 56.20 1tox s ARG 133 Cb 0.14 0.57 -0.00 0.00 -1.03 0.00 0.00 34.95 34.63 1tox s ARG 133 CO 0.67 -0.98 -0.13 0.08 -1.13 0.00 0.00 175.30 173.81 1tox s VAL 134 N -2.46 1.13 -0.09 4.99 1.01 -1.26 -1.00 120.40 122.71 1tox s VAL 134 Ca 0.20 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1tox s VAL 134 Cb -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1tox s VAL 134 CO 0.15 0.33 -0.22 -0.69 0.00 0.00 0.00 175.10 174.66 1tox s VAL 135 N 0.04 1.93 0.30 2.92 1.01 -0.39 -4.64 120.40 121.57 1tox s VAL 135 Ca -0.02 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 1tox s VAL 135 Cb -0.09 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1tox s VAL 135 CO 0.01 0.53 1.02 -0.76 0.00 0.00 0.00 175.10 175.90 1tox s LEU 136 N 0.31 4.46 -0.05 3.92 1.43 -0.97 -1.13 118.68 126.67 1tox s LEU 136 Ca -0.16 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.06 1tox s LEU 136 Cb -0.17 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 1tox s LEU 136 CO 0.08 -0.12 -0.23 -0.55 0.23 0.00 0.00 176.35 175.75 1tox s SER 137 N -1.22 3.23 0.01 2.29 0.15 0.10 -1.03 113.70 117.23 1tox s SER 137 Ca 0.47 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.60 1tox s SER 137 Cb -0.26 -0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1tox s SER 137 CO 0.33 0.28 0.13 -0.76 1.20 0.00 0.00 173.24 174.42 1tox s LEU 138 N -0.37 1.62 0.33 3.45 1.43 -0.25 -0.96 118.68 123.92 1tox s LEU 138 Ca 0.03 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 1tox s LEU 138 Cb -0.12 0.66 -0.11 0.00 0.03 0.00 0.00 46.19 46.64 1tox s LEU 138 CO 0.02 -0.40 1.53 -2.65 0.23 0.00 0.00 176.35 175.07 1tox n PRO 139 N 1.28 2.64 -0.12 1.29 -0.02 -1.26 -0.05 135.00 138.75 1tox n PRO 139 Ca -0.22 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1tox n PRO 139 Cb 0.56 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1tox n PRO 139 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1tox h PHE 140 N 3.90 0.52 -1.72 6.00 3.57 -1.18 -3.40 116.94 124.62 1tox h PHE 140 Ca -0.48 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.27 1tox h PHE 140 Cb 1.24 -0.17 -0.13 0.00 2.79 0.00 0.00 35.95 39.68 1tox h PHE 140 CO 0.56 0.39 0.72 0.00 -2.23 0.00 0.00 178.31 177.75 1tox s ALA 141 N -5.91 -2.04 -0.01 2.41 0.00 -1.26 -4.89 121.76 110.06 1tox s ALA 141 Ca -0.13 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1tox s ALA 141 Cb 0.10 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1tox s ALA 141 CO 0.73 -0.91 1.25 -2.00 0.00 0.00 0.00 175.76 174.84 1tox s GLU 142 N -2.67 4.36 0.00 0.00 -6.30 -1.26 -2.34 118.70 110.48 1tox s GLU 142 Ca 0.12 1.78 0.00 0.00 -2.50 0.00 0.00 54.97 54.37 1tox s GLU 142 Cb 0.02 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.65 1tox s GLU 142 CO -0.03 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1tox n GLY 143 N 3.40 0.68 3.23 -1.50 0.00 -1.26 -5.06 105.19 104.67 1tox n GLY 143 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1tox n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tox s SER 144 N -2.73 2.37 0.00 1.61 0.15 -0.99 -4.90 113.70 109.21 1tox s SER 144 Ca 0.00 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.41 1tox s SER 144 Cb 0.00 -0.21 0.27 0.00 -1.71 0.00 0.00 66.02 64.37 1tox s SER 144 CO 0.00 0.17 1.31 -1.54 1.20 0.00 0.00 173.24 174.37 1tox n SER 145 N 2.01 3.08 -4.83 5.45 3.41 -1.26 -4.55 113.62 116.93 1tox n SER 145 Ca -0.17 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.15 1tox n SER 145 Cb 0.53 -0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1tox n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1tox s SER 146 N -1.87 5.14 0.26 4.04 0.01 -1.26 -4.93 113.70 115.09 1tox s SER 146 Ca 0.31 1.41 0.12 0.00 1.31 0.00 0.00 55.95 59.10 1tox s SER 146 Cb 0.21 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1tox s SER 146 CO 0.31 -1.57 -0.20 0.68 0.41 0.00 0.00 173.24 172.86 1tox s VAL 147 N -3.15 2.48 -0.12 3.43 -7.23 -1.26 -0.75 120.40 113.80 1tox s VAL 147 Ca 0.59 -2.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1tox s VAL 147 Cb -0.13 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1tox s VAL 147 CO 0.54 -0.34 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.13 1tox s GLU 148 N -3.33 3.29 -0.11 4.82 2.12 0.93 -3.21 118.70 123.20 1tox s GLU 148 Ca 0.28 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.82 1tox s GLU 148 Cb -0.06 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 1tox s GLU 148 CO 0.14 0.19 0.08 0.71 -0.54 0.00 0.00 175.26 175.84 1tox s TYR 149 N 0.37 3.39 -0.28 5.30 2.02 -0.37 -1.09 117.35 126.68 1tox s TYR 149 Ca -0.13 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.94 1tox s TYR 149 Cb -0.16 -1.90 0.08 0.00 -0.40 0.00 0.00 41.96 39.57 1tox s TYR 149 CO 0.06 0.56 -0.03 0.42 -1.57 0.00 0.00 175.55 174.99 1tox s ILE 150 N -0.79 2.01 0.07 2.71 1.09 -0.20 -2.64 121.20 123.45 1tox s ILE 150 Ca 0.13 -1.78 -0.19 0.00 -1.10 0.00 0.00 60.65 57.70 1tox s ILE 150 Cb -0.12 -2.29 -0.07 0.00 -1.06 0.00 0.00 42.46 38.93 1tox s ILE 150 CO 0.03 -0.27 0.56 0.20 -0.10 0.00 0.00 174.94 175.36 1tox s ASN 151 N 1.12 7.05 0.06 3.58 -0.87 -0.04 -2.28 114.94 123.57 1tox s ASN 151 Ca -0.01 1.25 -0.30 0.00 -1.57 0.00 0.00 52.86 52.23 1tox s ASN 151 Cb -0.19 -2.36 -0.05 0.00 -0.02 0.00 0.00 41.25 38.63 1tox s ASN 151 CO -0.07 0.27 1.15 0.21 -2.57 0.00 0.00 177.10 176.09 1tox s ASN 152 N -1.08 7.15 0.30 -1.22 3.84 -1.26 -1.08 114.94 121.59 1tox s ASN 152 Ca 0.29 1.96 0.05 0.00 0.21 0.00 0.00 52.86 55.37 1tox s ASN 152 Cb -0.19 -2.58 0.76 0.00 -0.55 0.00 0.00 41.25 38.69 1tox s ASN 152 CO 0.19 -0.41 1.72 -0.50 -2.79 0.00 0.00 177.10 175.31 1tox h TRP 153 N 6.63 0.83 0.01 0.43 4.06 -1.91 0.06 115.95 126.07 1tox h TRP 153 Ca -0.42 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.57 1tox h TRP 153 Cb 1.22 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1tox h TRP 153 CO 0.67 0.05 -0.01 1.49 -3.56 0.00 0.00 178.44 177.08 1tox h GLU 154 N 0.53 -0.02 -0.29 0.49 4.57 -1.96 -3.10 114.58 114.80 1tox h GLU 154 Ca 0.58 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.74 1tox h GLU 154 Cb 1.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1tox h GLU 154 CO -0.47 0.38 0.08 1.96 -1.18 0.00 0.00 179.01 179.77 1tox h GLN 155 N -0.42 0.41 0.00 1.92 1.08 -1.83 -0.98 115.11 115.29 1tox h GLN 155 Ca -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1tox h GLN 155 Cb 0.41 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1tox h GLN 155 CO 0.00 0.38 0.00 0.00 -0.95 0.00 0.00 178.83 178.26 1tox h ALA 156 N 1.68 1.00 0.00 3.87 0.00 -0.91 -1.69 119.26 123.21 1tox h ALA 156 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tox h ALA 156 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1tox h ALA 156 CO -0.00 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.12 1tox h LYS 157 N 0.00 0.00 -0.00 0.00 1.57 -1.15 -2.47 116.57 114.52 1tox h LYS 157 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tox h LYS 157 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1tox h LYS 157 CO 0.00 0.00 -0.22 0.00 -0.57 0.00 0.00 179.45 178.66 1tox n ALA 158 N -1.97 2.94 -1.79 3.86 0.00 -0.63 -4.79 120.51 118.13 1tox n ALA 158 Ca -0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1tox n ALA 158 Cb 0.19 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1tox n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tox s LEU 159 N -2.72 4.39 -0.22 0.00 1.43 -0.93 -4.49 118.68 116.14 1tox s LEU 159 Ca 0.21 2.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.97 1tox s LEU 159 Cb 0.19 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1tox s LEU 159 CO 0.55 -0.65 0.21 -0.55 0.23 0.00 0.00 176.35 176.14 1tox s SER 160 N -0.26 6.22 -0.20 2.29 0.15 0.10 -4.74 113.70 117.27 1tox s SER 160 Ca 0.52 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 1tox s SER 160 Cb -0.42 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1tox s SER 160 CO 0.54 0.06 -0.02 -0.69 1.20 0.00 0.00 173.24 174.33 1tox s VAL 161 N 0.93 3.73 0.20 4.45 1.01 -1.26 -0.23 120.40 129.24 1tox s VAL 161 Ca 0.11 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.81 1tox s VAL 161 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1tox s VAL 161 CO 0.04 0.43 -0.21 -1.61 0.00 0.00 0.00 175.10 173.75 1tox s GLU 162 N 1.11 1.48 0.04 2.72 2.02 0.66 -4.81 118.70 121.91 1tox s GLU 162 Ca 0.02 -1.55 -0.22 0.00 0.02 0.00 0.00 54.97 53.24 1tox s GLU 162 Cb -0.14 -1.67 -0.06 0.00 0.10 0.00 0.00 34.13 32.35 1tox s GLU 162 CO 0.01 0.34 0.65 -1.17 0.02 0.00 0.00 175.26 175.11 1tox s LEU 163 N -2.86 4.46 -0.18 1.80 2.96 -1.26 0.70 118.68 124.29 1tox s LEU 163 Ca 0.21 1.29 -0.15 0.00 -0.22 0.00 0.00 54.13 55.27 1tox s LEU 163 Cb -0.07 -3.02 -0.08 0.00 0.50 0.00 0.00 46.19 43.53 1tox s LEU 163 CO 0.10 0.12 -0.21 -0.62 -1.32 0.00 0.00 176.35 174.42 1tox n GLU 164 N 2.48 0.51 -3.52 1.98 -0.58 0.12 -4.76 120.64 116.88 1tox n GLU 164 Ca -0.06 0.38 -0.17 0.00 -0.42 0.00 0.00 57.16 56.89 1tox n GLU 164 Cb 0.51 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 1tox n GLU 164 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1tox s ILE 165 N -2.53 0.00 -0.27 -3.67 2.07 -0.84 -4.98 121.20 110.98 1tox s ILE 165 Ca -0.25 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.01 1tox s ILE 165 Cb 0.05 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.71 1tox s ILE 165 CO 0.38 0.00 -0.05 0.21 -1.91 0.00 0.00 174.94 173.58 1tox s ASN 166 N -1.28 4.30 0.39 4.50 3.84 -1.26 -1.19 114.94 124.24 1tox s ASN 166 Ca -0.10 -1.50 0.12 0.00 0.21 0.00 0.00 52.86 51.59 1tox s ASN 166 Cb -0.00 -1.41 0.80 0.00 -0.55 0.00 0.00 41.25 40.10 1tox s ASN 166 CO 0.08 -0.26 1.90 -0.26 -2.79 0.00 0.00 177.10 175.77 1tox h PHE 167 N 7.81 0.10 -0.53 0.43 0.04 -1.22 -2.54 116.94 121.03 1tox h PHE 167 Ca -0.15 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 1tox h PHE 167 Cb 1.04 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 1tox h PHE 167 CO 0.54 0.33 -0.03 0.93 -0.60 0.00 0.00 178.31 179.49 1tox h GLU 168 N 0.09 0.93 0.00 1.51 5.08 -1.65 -2.53 114.58 118.01 1tox h GLU 168 Ca 0.01 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1tox h GLU 168 Cb 0.48 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1tox h GLU 168 CO 0.03 0.94 -0.14 1.15 -1.00 0.00 0.00 179.01 179.99 1tox h THR 169 N 0.85 0.81 0.00 1.13 2.02 -1.79 -1.49 112.91 114.43 1tox h THR 169 Ca 0.15 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1tox h THR 169 Cb 0.54 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1tox h THR 169 CO 0.03 0.14 0.00 0.54 0.37 0.00 0.00 175.52 176.60 1tox n ARG 170 N -3.95 0.10 -3.12 6.66 5.12 -0.95 -4.89 116.66 115.64 1tox n ARG 170 Ca -0.02 0.45 -0.20 0.00 -1.93 0.00 0.00 57.85 56.15 1tox n ARG 170 Cb 0.23 -1.74 -0.00 0.00 -1.16 0.00 0.00 32.46 29.78 1tox n ARG 170 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tox n GLY 171 N -0.60 -0.49 3.98 -0.13 0.00 -0.56 -4.98 105.19 102.41 1tox n GLY 171 Ca 0.01 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1tox n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tox s LYS 172 N -5.75 3.01 0.72 1.61 1.02 -1.26 -5.10 119.74 113.99 1tox s LYS 172 Ca 0.29 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 1tox s LYS 172 Cb -0.15 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1tox s LYS 172 CO 0.36 -0.16 1.07 1.03 -0.92 0.00 0.00 175.35 176.73 1tox s ARG 173 N -4.37 2.75 0.97 1.68 3.00 -1.26 -4.85 118.95 116.87 1tox s ARG 173 Ca 0.48 0.83 0.00 0.00 0.00 0.00 0.00 55.73 57.05 1tox s ARG 173 Cb -0.10 -1.98 0.00 0.00 0.00 0.00 0.00 34.95 32.87 1tox s ARG 173 CO 0.34 -1.20 0.00 0.41 0.00 0.00 0.00 175.30 174.85 1tox n GLY 174 N -2.12 2.29 1.70 -3.53 0.00 -1.26 -1.56 105.19 100.70 1tox n GLY 174 Ca 0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1tox n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tox n GLN 175 N 14.00 2.69 -0.22 1.61 6.02 -1.26 -4.69 117.38 135.53 1tox n GLN 175 Ca 0.00 -3.07 0.01 0.00 -0.01 0.00 0.00 57.00 53.93 1tox n GLN 175 Cb 0.00 -2.05 0.12 0.00 1.02 0.00 0.00 30.24 29.33 1tox n GLN 175 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1tox h ASP 176 N 1.63 0.30 -0.79 1.08 5.19 -1.62 -1.92 116.42 120.29 1tox h ASP 176 Ca 0.33 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.77 1tox h ASP 176 Cb 2.19 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 41.70 1tox h ASP 176 CO 0.68 0.17 0.33 0.00 -3.12 0.00 0.00 179.24 177.31 1tox h ALA 177 N 1.42 1.08 -0.04 3.45 0.00 -1.84 -1.71 119.26 121.63 1tox h ALA 177 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1tox h ALA 177 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1tox h ALA 177 CO -0.30 0.66 -0.03 1.98 0.00 0.00 0.00 179.25 181.56 1tox h MET 178 N 1.15 0.09 -0.26 0.00 1.85 -1.76 -2.93 114.93 113.06 1tox h MET 178 Ca 0.27 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.22 1tox h MET 178 Cb 0.19 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1tox h MET 178 CO -0.02 0.52 -0.25 1.88 -0.40 0.00 0.00 176.91 178.64 1tox h TYR 179 N -0.35 0.56 0.00 1.39 0.05 -1.41 -1.72 116.97 115.50 1tox h TYR 179 Ca 0.01 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 58.58 1tox h TYR 179 Cb 0.50 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1tox h TYR 179 CO 0.08 0.71 -0.40 0.93 -1.05 0.00 0.00 178.16 178.43 1tox h GLU 180 N 0.44 0.00 -0.02 4.88 5.08 -1.39 -1.56 114.58 122.01 1tox h GLU 180 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1tox h GLU 180 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1tox h GLU 180 CO 0.05 0.40 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.40 1tox h TYR 181 N 0.00 0.19 -0.63 4.33 3.20 -1.31 -3.01 116.97 119.74 1tox h TYR 181 Ca -0.00 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1tox h TYR 181 Cb 0.97 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1tox h TYR 181 CO 0.00 0.80 0.35 0.52 -1.64 0.00 0.00 178.16 178.20 1tox h MET 182 N -0.48 0.86 0.00 1.82 2.86 -1.27 -0.72 114.93 117.99 1tox h MET 182 Ca -0.01 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1tox h MET 182 Cb 0.83 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1tox h MET 182 CO 0.03 0.63 -0.01 0.00 1.06 0.00 0.00 176.91 178.62 1tox h ALA 183 N 1.52 1.06 0.00 6.32 0.00 -1.20 0.73 119.26 127.70 1tox h ALA 183 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1tox h ALA 183 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tox h ALA 183 CO -0.04 0.01 0.00 1.96 0.00 0.00 0.00 179.25 181.18 1tox h GLN 184 N 0.00 0.00 -0.57 0.00 1.08 -0.99 -2.91 115.11 111.72 1tox h GLN 184 Ca -0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1tox h GLN 184 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 1tox h GLN 184 CO 0.00 0.00 0.23 0.00 -0.95 0.00 0.00 178.83 178.11 1tox h ALA 185 N 2.06 0.73 -0.98 3.87 0.00 -0.97 -1.52 119.26 122.45 1tox h ALA 185 Ca 0.00 0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.38 1tox h ALA 185 Cb 0.24 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.75 1tox h ALA 185 CO 0.00 -0.16 0.72 0.00 0.00 0.00 0.00 179.25 179.81 1tox n ALA 187 N -1.03 0.00 -0.77 0.00 0.00 -0.58 -4.60 120.51 113.53 1tox n ALA 187 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1tox n ALA 187 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1tox n ALA 187 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tox n SER 200 N 1.80 0.00 -3.67 0.00 7.64 -1.26 -5.54 113.62 112.59 1tox n SER 200 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1tox n SER 200 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1tox n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tox s ILE 202 N 1.65 5.10 -0.62 0.00 1.01 -1.26 -4.97 121.20 122.11 1tox s ILE 202 Ca -0.09 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1tox s ILE 202 Cb -0.08 -4.23 0.15 0.00 0.01 0.00 0.00 42.46 38.31 1tox s ILE 202 CO -0.15 -0.73 0.40 0.21 0.00 0.00 0.00 174.94 174.67 1tox s ASN 203 N 2.85 4.50 0.05 3.58 3.04 -1.26 -4.88 114.94 122.82 1tox s ASN 203 Ca 0.08 -3.50 -0.04 0.00 0.04 0.00 0.00 52.86 49.44 1tox s ASN 203 Cb -0.24 -1.57 -0.05 0.00 -1.54 0.00 0.00 41.25 37.85 1tox s ASN 203 CO 0.08 -0.14 0.26 -0.76 -3.04 0.00 0.00 177.10 173.49 1tox s LEU 204 N -0.94 4.34 -0.57 3.21 1.02 -1.26 -5.06 118.68 119.42 1tox s LEU 204 Ca 0.22 0.44 -0.18 0.00 0.02 0.00 0.00 54.13 54.63 1tox s LEU 204 Cb -0.12 -2.90 0.11 0.00 0.02 0.00 0.00 46.19 43.30 1tox s LEU 204 CO -0.10 0.18 0.65 -0.62 0.02 0.00 0.00 176.35 176.48 1tox s ASP 205 N -2.15 6.18 0.54 2.29 -1.08 -1.26 -4.92 116.67 116.27 1tox s ASP 205 Ca 0.33 -1.51 0.31 0.00 -0.52 0.00 0.00 52.55 51.16 1tox s ASP 205 Cb -0.13 -2.28 1.47 0.00 -1.46 0.00 0.00 42.92 40.53 1tox s ASP 205 CO 0.22 -1.04 2.05 -0.50 0.52 0.00 0.00 175.17 176.42 1tox h TRP 206 N 9.10 0.00 -0.23 -5.34 4.06 -1.97 -1.95 115.95 119.62 1tox h TRP 206 Ca -0.30 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.61 1tox h TRP 206 Cb 1.09 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 1tox h TRP 206 CO 0.80 0.09 -0.01 -0.44 -3.56 0.00 0.00 178.44 175.32 1tox h ASP 207 N 0.00 0.41 -0.41 -3.49 3.32 -1.98 0.22 116.42 114.50 1tox h ASP 207 Ca -0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1tox h ASP 207 Cb 0.41 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1tox h ASP 207 CO 0.01 0.63 0.16 0.58 -1.72 0.00 0.00 179.24 178.91 1tox h VAL 208 N 0.18 1.20 -0.66 -1.35 2.07 -1.90 -0.66 116.25 115.13 1tox h VAL 208 Ca 0.06 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1tox h VAL 208 Cb 0.43 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1tox h VAL 208 CO 0.01 0.22 0.09 0.40 0.02 0.00 0.00 177.57 178.31 1tox h ILE 209 N 0.51 1.26 -0.50 4.57 2.04 -1.30 -0.20 117.51 123.89 1tox h ILE 209 Ca 0.14 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1tox h ILE 209 Cb 0.19 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1tox h ILE 209 CO -0.01 0.40 0.12 0.03 0.00 0.00 0.00 178.15 178.69 1tox h ARG 210 N 1.03 0.81 -0.29 2.37 3.08 -0.42 -1.48 114.38 119.47 1tox h ARG 210 Ca 0.20 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1tox h ARG 210 Cb 0.46 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1tox h ARG 210 CO 0.02 0.78 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.97 1tox h ASP 211 N 0.70 0.74 -0.34 7.04 3.32 -0.94 -3.00 116.42 123.94 1tox h ASP 211 Ca 0.16 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1tox h ASP 211 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1tox h ASP 211 CO 0.00 1.06 0.06 0.11 -1.72 0.00 0.00 179.24 178.76 1tox h LYS 212 N 0.44 0.65 -0.12 3.56 1.57 -0.98 -2.68 116.57 119.01 1tox h LYS 212 Ca 0.05 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1tox h LYS 212 Cb 0.85 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1tox h LYS 212 CO 0.07 0.62 0.07 1.15 -0.57 0.00 0.00 179.45 180.80 1tox h THR 213 N 0.63 1.02 -0.16 -0.16 2.02 -1.22 -1.48 112.91 113.56 1tox h THR 213 Ca 0.14 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1tox h THR 213 Cb 0.30 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1tox h THR 213 CO 0.00 0.03 0.10 0.11 0.37 0.00 0.00 175.52 176.13 1tox h LYS 214 N 0.15 0.21 -0.40 6.66 1.79 -1.38 -1.12 116.57 122.48 1tox h LYS 214 Ca 0.05 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 1tox h LYS 214 Cb -0.01 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.54 1tox h LYS 214 CO -0.02 0.18 0.09 1.15 -1.08 0.00 0.00 179.45 179.77 1tox h THR 215 N 0.19 0.81 -0.47 -0.16 2.02 -1.36 -1.73 112.91 112.21 1tox h THR 215 Ca 0.06 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1tox h THR 215 Cb 0.02 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1tox h THR 215 CO -0.01 0.04 0.04 0.11 0.37 0.00 0.00 175.52 176.07 1tox h LYS 216 N 0.22 0.81 -0.50 6.66 1.57 -1.05 -1.18 116.57 123.10 1tox h LYS 216 Ca 0.19 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1tox h LYS 216 Cb 0.22 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1tox h LYS 216 CO -0.24 0.83 0.28 0.82 -0.57 0.00 0.00 179.45 180.57 1tox h ILE 217 N 0.67 1.01 0.20 1.86 2.04 -0.99 -1.06 117.51 121.24 1tox h ILE 217 Ca 0.14 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1tox h ILE 217 Cb 0.44 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1tox h ILE 217 CO 0.02 0.10 -0.28 -0.08 0.00 0.00 0.00 178.15 177.91 1tox h GLU 218 N 0.55 -0.52 -0.21 2.37 4.81 -1.07 -1.34 114.58 119.16 1tox h GLU 218 Ca 0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1tox h GLU 218 Cb 0.07 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1tox h GLU 218 CO -0.12 -0.35 0.14 0.77 -0.73 0.00 0.00 179.01 178.72 1tox h SER 219 N -0.54 0.24 -0.03 1.04 0.02 -0.89 -2.32 113.55 111.07 1tox h SER 219 Ca 0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1tox h SER 219 Cb 0.53 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1tox h SER 219 CO -0.11 0.18 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.60 1tox h LEU 220 N 0.29 0.14 -0.72 5.07 3.38 -0.70 -3.31 115.31 119.45 1tox h LEU 220 Ca 0.08 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.49 1tox h LEU 220 Cb -0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1tox h LEU 220 CO -0.02 0.72 0.43 0.11 0.09 0.00 0.00 178.44 179.77 1tox h LYS 221 N -0.44 0.78 -3.33 1.13 1.57 -0.99 -2.90 116.57 112.38 1tox h LYS 221 Ca -0.00 -0.05 -0.78 0.00 -1.87 0.00 0.00 60.65 57.95 1tox h LYS 221 Cb 0.70 -0.18 -0.20 0.00 0.08 0.00 0.00 32.23 32.63 1tox h LYS 221 CO 0.02 0.51 1.52 0.39 -0.57 0.00 0.00 179.45 181.32 1tox n GLU 222 N -4.71 3.93 -3.66 3.15 -0.58 -0.90 -4.57 120.64 113.30 1tox n GLU 222 Ca 0.09 -3.94 -0.11 0.00 -0.42 0.00 0.00 57.16 52.79 1tox n GLU 222 Cb 0.15 -2.77 -0.11 0.00 -0.57 0.00 0.00 31.44 28.14 1tox n GLU 222 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1tox s HIS 223 N -0.79 -0.62 0.00 -0.32 2.46 -1.10 -4.81 115.29 110.12 1tox s HIS 223 Ca 0.36 1.26 0.00 0.00 0.47 0.00 0.00 55.06 57.15 1tox s HIS 223 Cb 0.07 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1tox s HIS 223 CO 0.04 -0.42 0.27 0.41 -2.47 0.00 0.00 174.74 172.58 1tox n GLY 224 N 5.30 -1.90 0.37 1.59 0.00 -1.26 0.62 105.19 109.92 1tox n GLY 224 Ca -0.08 0.40 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1tox n GLY 224 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tox h PRO 225 N 0.00 0.66 0.02 1.61 0.11 -1.97 0.36 132.00 132.79 1tox h PRO 225 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1tox h PRO 225 Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1tox h PRO 225 CO 0.00 0.44 -0.01 0.82 -0.21 0.00 0.00 178.00 179.04 1tox h ILE 226 N 0.68 1.32 -0.85 4.15 2.04 -1.53 0.18 117.51 123.49 1tox h ILE 226 Ca 0.48 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1tox h ILE 226 Cb 0.83 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1tox h ILE 226 CO -0.24 0.27 0.56 0.11 0.00 0.00 0.00 178.15 178.85 1tox h LYS 227 N -0.49 1.10 -0.54 2.37 1.57 0.90 0.14 116.57 121.61 1tox h LYS 227 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1tox h LYS 227 Cb 0.47 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1tox h LYS 227 CO 0.00 0.73 0.28 -0.91 -0.57 0.00 0.00 179.45 178.98 1tox h ASN 228 N 1.13 0.70 -0.31 0.86 -0.26 -0.11 -0.98 115.58 116.61 1tox h ASN 228 Ca 0.32 -0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 1tox h ASN 228 Cb -0.10 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 1tox h ASN 228 CO -0.07 0.61 -0.01 0.50 -1.06 0.00 0.00 177.43 177.40 1tox h LYS 229 N 0.73 0.66 -0.60 0.81 1.63 0.80 -2.59 116.57 118.02 1tox h LYS 229 Ca 0.19 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.73 1tox h LYS 229 Cb 0.09 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1tox h LYS 229 CO -0.03 0.69 -0.01 0.52 -3.45 0.00 0.00 179.45 177.18 1tox h MET 230 N 0.63 1.06 -0.79 1.90 2.86 -0.06 -2.96 114.93 117.56 1tox h MET 230 Ca 0.13 -0.34 0.18 0.00 -2.06 0.00 0.00 59.70 57.62 1tox h MET 230 Cb 0.41 -0.10 -0.12 0.00 0.06 0.00 0.00 31.60 31.85 1tox h MET 230 CO 0.02 1.03 0.19 0.77 1.06 0.00 0.00 176.91 179.98 1tox h SER 231 N 0.96 -0.00 0.00 1.22 0.02 -0.79 0.24 113.55 115.21 1tox h SER 231 Ca 0.17 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1tox h SER 231 Cb 0.56 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1tox h SER 231 CO 0.03 -0.08 0.00 -0.62 -1.14 0.00 0.00 176.83 175.02 1tox n GLU 232 N -5.19 0.74 -2.14 3.45 1.02 -1.12 -4.81 120.64 112.59 1tox n GLU 232 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1tox n GLU 232 Cb 0.53 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1tox n GLU 232 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1tox s SER 233 N -1.89 6.80 0.63 1.62 0.15 0.85 -4.84 113.70 117.02 1tox s SER 233 Ca 0.30 2.45 0.33 0.00 0.70 0.00 0.00 55.95 59.73 1tox s SER 233 Cb 0.14 -2.60 1.84 0.00 -1.71 0.00 0.00 66.02 63.68 1tox s SER 233 CO 0.23 -0.63 2.11 -0.65 1.20 0.00 0.00 173.24 175.51 1tox h PRO 234 N 5.85 0.00 -5.06 5.44 0.11 -1.87 -3.45 132.00 133.02 1tox h PRO 234 Ca -0.44 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.43 1tox h PRO 234 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1tox h PRO 234 CO 0.81 0.00 -0.34 -1.71 -0.21 0.00 0.00 178.00 176.56 1tox n ASN 235 N -3.37 -2.61 -3.61 -2.05 5.15 -1.26 -4.88 115.26 102.64 1tox n ASN 235 Ca -0.00 -0.02 -0.11 0.00 -0.60 0.00 0.00 54.58 53.85 1tox n ASN 235 Cb 0.29 -2.25 -0.04 0.00 -0.53 0.00 0.00 39.78 37.25 1tox n ASN 235 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1tox s LYS 236 N -5.53 1.17 -0.17 1.20 -2.85 -1.25 -4.93 119.74 107.38 1tox s LYS 236 Ca 0.20 -0.68 -0.34 0.00 -1.00 0.00 0.00 55.97 54.15 1tox s LYS 236 Cb -0.11 0.51 -0.11 0.00 -2.06 0.00 0.00 37.83 36.05 1tox s LYS 236 CO 0.25 -0.48 1.98 2.41 0.10 0.00 0.00 175.35 179.61 1tox n THR 237 N -0.28 0.47 -4.70 3.79 -1.04 -1.09 -4.25 114.28 107.17 1tox n THR 237 Ca -0.15 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.37 1tox n THR 237 Cb 0.64 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.17 1tox n THR 237 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tox s VAL 238 N 5.24 1.31 0.82 12.58 0.11 -0.67 -5.03 120.40 134.76 1tox s VAL 238 Ca 0.97 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.91 1tox s VAL 238 Cb -0.70 -2.38 0.09 0.00 -1.53 0.00 0.00 36.38 31.86 1tox s VAL 238 CO 0.50 0.00 1.09 -0.94 -3.33 0.00 0.00 175.10 172.42 1tox s SER 239 N -3.81 4.15 0.18 3.54 1.04 -1.26 -4.71 113.70 112.83 1tox s SER 239 Ca 0.15 1.52 -0.10 0.00 0.48 0.00 0.00 55.95 57.99 1tox s SER 239 Cb 0.04 -2.24 0.09 0.00 0.10 0.00 0.00 66.02 64.01 1tox s SER 239 CO 0.08 -2.22 1.72 -0.08 0.98 0.00 0.00 173.24 173.72 1tox h GLU 240 N -1.26 1.00 -0.02 4.02 4.81 -1.99 -0.83 114.58 120.31 1tox h GLU 240 Ca -0.47 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.50 1tox h GLU 240 Cb 1.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1tox h GLU 240 CO 0.55 0.87 -0.23 1.49 -0.73 0.00 0.00 179.01 180.97 1tox h GLU 241 N 0.93 0.03 0.13 1.92 4.57 -2.00 -1.91 114.58 118.25 1tox h GLU 241 Ca 0.21 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 58.10 1tox h GLU 241 Cb 0.29 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1tox h GLU 241 CO -0.01 0.26 -1.23 -0.22 -1.18 0.00 0.00 179.01 176.64 1tox h LYS 242 N 0.03 0.42 0.07 1.92 3.11 -1.85 -2.86 116.57 117.41 1tox h LYS 242 Ca 0.00 -0.62 0.02 0.00 -2.81 0.00 0.00 60.65 57.24 1tox h LYS 242 Cb 0.43 0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.85 1tox h LYS 242 CO 0.03 1.27 -0.17 0.00 -2.81 0.00 0.00 179.45 177.77 1tox h ALA 243 N 0.48 -0.27 -0.81 5.00 0.00 -0.69 0.08 119.26 123.05 1tox h ALA 243 Ca -0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1tox h ALA 243 Cb 1.92 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1tox h ALA 243 CO 0.22 -0.69 0.53 0.87 0.00 0.00 0.00 179.25 180.18 1tox h LYS 244 N -0.32 1.00 -0.02 0.00 1.57 -1.44 0.16 116.57 117.52 1tox h LYS 244 Ca 0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1tox h LYS 244 Cb 0.35 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1tox h LYS 244 CO -0.11 0.66 0.01 1.96 -0.57 0.00 0.00 179.45 181.40 1tox h GLN 245 N 1.03 0.03 -0.14 3.15 1.08 -1.15 0.75 115.11 119.85 1tox h GLN 245 Ca 0.32 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1tox h GLN 245 Cb -0.01 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1tox h GLN 245 CO -0.09 0.10 0.06 -0.92 -0.95 0.00 0.00 178.83 177.03 1tox h TYR 246 N -0.05 0.22 -0.49 2.96 3.20 -0.53 -2.92 116.97 119.36 1tox h TYR 246 Ca 0.01 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1tox h TYR 246 Cb 0.08 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1tox h TYR 246 CO -0.05 0.30 0.32 -0.07 -1.64 0.00 0.00 178.16 177.03 1tox h LEU 247 N 0.07 0.42 -0.83 2.82 3.38 -0.54 0.07 115.31 120.70 1tox h LEU 247 Ca 0.05 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1tox h LEU 247 Cb 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1tox h LEU 247 CO -0.00 0.28 -0.54 -0.33 0.09 0.00 0.00 178.44 177.94 1tox h GLU 248 N 0.49 0.00 0.19 1.13 5.08 -0.67 -0.63 114.58 120.17 1tox h GLU 248 Ca 0.20 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.25 1tox h GLU 248 Cb 0.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.48 1tox h GLU 248 CO -0.05 0.54 -1.37 0.93 -1.00 0.00 0.00 179.01 178.06 1tox h GLU 249 N 0.00 0.56 -0.45 2.33 5.08 -1.22 -2.57 114.58 118.30 1tox h GLU 249 Ca -0.01 -0.86 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 1tox h GLU 249 Cb 1.02 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1tox h GLU 249 CO 0.07 1.40 0.30 0.35 -1.00 0.00 0.00 179.01 180.13 1tox h PHE 250 N 0.20 0.57 -0.23 4.33 3.57 -0.86 -1.02 116.94 123.50 1tox h PHE 250 Ca -0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.32 1tox h PHE 250 Cb 2.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 1tox h PHE 250 CO 0.12 0.36 0.08 1.25 -2.23 0.00 0.00 178.31 177.89 1tox h HIS 251 N 0.62 0.15 -0.39 0.41 2.76 -1.16 0.12 115.15 117.65 1tox h HIS 251 Ca 0.17 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1tox h HIS 251 Cb -0.07 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1tox h HIS 251 CO -0.04 0.08 0.18 0.37 -1.30 0.00 0.00 177.93 177.22 1tox h GLN 252 N 0.19 0.37 -0.38 5.26 4.15 -1.14 -1.04 115.11 122.51 1tox h GLN 252 Ca 0.10 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1tox h GLN 252 Cb 0.06 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1tox h GLN 252 CO -0.10 0.24 0.14 1.15 -1.93 0.00 0.00 178.83 178.34 1tox h THR 253 N 0.38 1.20 -0.02 2.39 2.02 -0.91 -2.93 112.91 115.04 1tox h THR 253 Ca 0.17 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1tox h THR 253 Cb 0.09 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1tox h THR 253 CO -0.13 0.23 -0.18 0.00 0.37 0.00 0.00 175.52 175.81 1tox h ALA 254 N 0.98 1.65 0.00 6.16 0.00 -0.36 -2.83 119.26 124.86 1tox h ALA 254 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tox h ALA 254 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1tox h ALA 254 CO -0.01 0.26 0.00 -0.11 0.00 0.00 0.00 179.25 179.39 1tox n LEU 255 N -4.31 0.63 0.18 0.00 7.94 -0.43 -2.40 117.00 118.61 1tox n LEU 255 Ca -0.02 0.61 0.06 0.00 -1.11 0.00 0.00 56.01 55.56 1tox n LEU 255 Cb 0.26 -0.48 0.18 0.00 0.53 0.00 0.00 43.42 43.90 1tox n LEU 255 CO 0.37 -0.38 0.63 -0.33 -1.11 0.00 0.00 177.39 176.56 1tox h GLU 256 N 0.00 0.00 -6.58 1.96 4.39 -1.53 -3.41 114.58 109.40 1tox h GLU 256 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1tox h GLU 256 Cb 0.48 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.22 1tox h GLU 256 CO 0.00 0.33 0.54 1.58 -1.16 0.00 0.00 179.01 180.29 1tox n HIS 257 N -3.24 2.05 -0.07 4.33 -0.00 -1.01 -4.84 115.22 112.45 1tox n HIS 257 Ca 0.02 0.49 0.20 0.00 0.46 0.00 0.00 57.72 58.89 1tox n HIS 257 Cb 0.61 -2.42 0.64 0.00 -0.12 0.00 0.00 29.99 28.70 1tox n HIS 257 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1tox h PRO 258 N 3.75 0.11 0.00 1.57 0.11 -1.90 -1.34 132.00 134.30 1tox h PRO 258 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1tox h PRO 258 Cb 1.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1tox h PRO 258 CO 0.72 0.07 -0.21 0.93 -0.21 0.00 0.00 178.00 179.30 1tox h GLU 259 N 0.11 0.00 -0.41 1.05 4.39 -1.94 -3.10 114.58 114.69 1tox h GLU 259 Ca 0.31 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.78 1tox h GLU 259 Cb 1.05 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.57 1tox h GLU 259 CO -0.04 0.21 -0.06 1.28 -1.16 0.00 0.00 179.01 179.25 1tox n LEU 260 N -3.46 4.36 -0.01 1.33 4.77 -0.51 -4.77 117.00 118.70 1tox n LEU 260 Ca -0.00 -3.83 -0.13 0.00 -0.03 0.00 0.00 56.01 52.02 1tox n LEU 260 Cb 0.39 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1tox n LEU 260 CO 0.33 1.30 0.69 0.77 -1.33 0.00 0.00 177.39 179.15 1tox h SER 261 N 1.05 0.08 -0.31 -1.43 4.64 -1.50 -2.01 113.55 114.07 1tox h SER 261 Ca 0.26 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1tox h SER 261 Cb 1.71 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.74 1tox h SER 261 CO 0.46 0.43 0.12 -0.33 -0.87 0.00 0.00 176.83 176.65 1tox h GLU 262 N -0.28 0.26 -0.32 4.77 3.07 -1.86 -1.32 114.58 118.90 1tox h GLU 262 Ca 0.01 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1tox h GLU 262 Cb 0.40 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1tox h GLU 262 CO 0.00 0.17 0.22 1.25 -1.40 0.00 0.00 179.01 179.26 1tox h LEU 263 N 0.27 0.16 -0.78 1.33 5.85 -1.90 0.14 115.31 120.38 1tox h LEU 263 Ca 0.13 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1tox h LEU 263 Cb 0.08 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1tox h LEU 263 CO -0.12 0.10 -0.26 0.50 -0.34 0.00 0.00 178.44 178.32 1tox h LYS 264 N 0.18 0.63 0.02 1.25 3.64 -0.47 -1.09 116.57 120.73 1tox h LYS 264 Ca 0.14 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1tox h LYS 264 Cb 0.34 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1tox h LYS 264 CO -0.02 0.83 -0.01 1.15 -2.27 0.00 0.00 179.45 179.13 1tox h THR 265 N 0.55 1.49 0.00 1.00 2.02 -0.74 -3.09 112.91 114.14 1tox h THR 265 Ca 0.07 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 1tox h THR 265 Cb 0.73 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1tox h THR 265 CO 0.06 0.43 -0.15 -0.37 0.37 0.00 0.00 175.52 175.86 1tox h VAL 266 N -0.79 0.78 -0.68 3.16 -1.51 -0.77 -2.78 116.25 113.67 1tox h VAL 266 Ca -0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1tox h VAL 266 Cb 0.72 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1tox h VAL 266 CO 0.00 0.14 0.00 0.35 -1.23 0.00 0.00 177.57 176.84 1tox n THR 267 N -3.90 0.91 -0.04 7.19 -2.24 -0.42 -4.54 114.28 111.24 1tox n THR 267 Ca -0.02 -0.94 -0.11 0.00 -2.27 0.00 0.00 64.05 60.71 1tox n THR 267 Cb 0.24 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1tox n THR 267 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1tox h GLY 268 N 4.44 0.79 0.00 3.38 0.00 -1.40 -3.40 103.07 106.87 1tox h GLY 268 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1tox h GLY 268 CO 0.00 0.78 -0.89 2.41 0.00 0.00 0.00 176.54 178.84 1tox n THR 269 N -4.00 1.47 -1.67 4.70 -1.04 -1.26 -4.92 114.28 107.55 1tox n THR 269 Ca -0.03 0.14 -0.46 0.00 -2.04 0.00 0.00 64.05 61.66 1tox n THR 269 Cb 0.58 -2.33 -0.04 0.00 -1.82 0.00 0.00 70.33 66.72 1tox n THR 269 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1tox n ASN 270 N -4.51 3.72 0.30 8.00 2.85 -1.26 -4.85 115.26 119.50 1tox n ASN 270 Ca -0.14 0.95 0.16 0.00 -0.11 0.00 0.00 54.58 55.43 1tox n ASN 270 Cb 0.44 -1.43 0.92 0.00 1.24 0.00 0.00 39.78 40.96 1tox n ASN 270 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1tox h PRO 271 N 9.74 0.00 0.00 1.20 0.13 -1.91 -2.17 132.00 138.99 1tox h PRO 271 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1tox h PRO 271 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1tox h PRO 271 CO 0.95 0.02 -0.10 0.28 -0.23 0.00 0.00 178.00 178.92 1tox h VAL 272 N 0.00 0.59 -0.56 1.56 2.07 -1.96 -1.95 116.25 116.01 1tox h VAL 272 Ca -0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1tox h VAL 272 Cb 0.07 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1tox h VAL 272 CO 0.00 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.18 1tox n PHE 273 N -3.73 0.74 -1.09 1.57 3.72 -0.82 -4.26 117.46 113.60 1tox n PHE 273 Ca -0.02 -0.37 -0.30 0.00 -0.05 0.00 0.00 57.45 56.71 1tox n PHE 273 Cb 0.21 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.90 1tox n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tox s ALA 274 N -1.26 1.33 0.42 4.37 0.00 -0.73 -4.87 121.76 121.02 1tox s ALA 274 Ca 0.41 -0.00 0.12 0.00 0.00 0.00 0.00 51.96 52.49 1tox s ALA 274 Cb 0.22 -3.22 0.92 0.00 0.00 0.00 0.00 23.12 21.03 1tox s ALA 274 CO 0.29 -2.54 1.98 0.78 0.00 0.00 0.00 175.76 176.27 1tox h GLY 275 N -1.69 0.17 1.92 0.00 0.00 -1.92 -2.08 103.07 99.47 1tox h GLY 275 Ca -0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1tox h GLY 275 CO 0.53 0.09 -0.15 0.00 0.00 0.00 0.00 176.54 177.00 1tox h ALA 276 N 1.75 1.63 0.09 3.60 0.00 -1.93 0.14 119.26 124.53 1tox h ALA 276 Ca 0.03 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1tox h ALA 276 Cb 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1tox h ALA 276 CO 0.02 0.27 -1.15 -0.91 0.00 0.00 0.00 179.25 177.48 1tox h ASN 277 N 0.10 0.63 -0.23 0.00 2.35 -1.70 -0.58 115.58 116.15 1tox h ASN 277 Ca 0.02 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.16 1tox h ASN 277 Cb 0.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1tox h ASN 277 CO 0.02 1.41 0.01 1.88 -1.65 0.00 0.00 177.43 179.11 1tox h TYR 278 N 0.20 0.43 -0.65 1.19 0.05 -1.21 0.44 116.97 117.42 1tox h TYR 278 Ca -0.14 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 1tox h TYR 278 Cb 1.82 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 39.42 1tox h TYR 278 CO 0.08 0.56 0.21 0.00 -1.05 0.00 0.00 178.16 177.96 1tox h ALA 279 N 0.82 0.86 -0.13 3.88 0.00 -0.77 0.17 119.26 124.09 1tox h ALA 279 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tox h ALA 279 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1tox h ALA 279 CO 0.01 0.53 0.08 0.00 0.00 0.00 0.00 179.25 179.87 1tox h ALA 280 N 1.08 0.16 0.04 0.00 0.00 -0.93 -1.65 119.26 117.97 1tox h ALA 280 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1tox h ALA 280 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1tox h ALA 280 CO -0.01 -0.34 -0.02 2.35 0.00 0.00 0.00 179.25 181.23 1tox h TRP 281 N 0.15 -0.06 -0.62 0.00 2.91 -0.53 -2.03 115.95 115.78 1tox h TRP 281 Ca 0.05 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.16 1tox h TRP 281 Cb 0.00 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.60 1tox h TRP 281 CO -0.06 -0.01 0.24 0.00 -1.03 0.00 0.00 178.44 177.58 1tox h ALA 282 N 0.87 0.81 -0.17 2.65 0.00 -0.51 -0.90 119.26 122.01 1tox h ALA 282 Ca -0.01 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1tox h ALA 282 Cb 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1tox h ALA 282 CO 0.01 -0.17 -0.52 -0.39 0.00 0.00 0.00 179.25 178.17 1tox h VAL 283 N 0.43 1.33 -0.89 0.00 -1.51 -1.24 -1.91 116.25 112.46 1tox h VAL 283 Ca 0.31 -1.77 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 1tox h VAL 283 Cb 0.37 1.77 -0.04 0.00 -2.13 0.00 0.00 31.29 31.26 1tox h VAL 283 CO -0.30 0.54 0.47 -1.13 -1.23 0.00 0.00 177.57 175.93 1tox h ASN 284 N 0.37 1.12 0.34 4.19 -0.00 -0.54 -1.08 115.58 119.97 1tox h ASN 284 Ca 0.01 -0.11 -0.02 0.00 -0.00 0.00 0.00 56.30 56.19 1tox h ASN 284 Cb 1.04 -0.29 0.00 0.00 -0.00 0.00 0.00 38.32 39.08 1tox h ASN 284 CO 0.09 0.91 -0.16 0.58 -0.00 0.00 0.00 177.43 178.86 1tox h VAL 285 N 1.25 0.59 -0.94 2.57 2.07 -1.07 -3.07 116.25 117.65 1tox h VAL 285 Ca 0.31 -0.65 0.27 0.00 0.82 0.00 0.00 66.70 67.45 1tox h VAL 285 Cb 0.05 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1tox h VAL 285 CO -0.05 0.11 0.67 0.00 0.02 0.00 0.00 177.57 178.32 1tox h ALA 286 N -0.41 2.85 0.00 1.67 0.00 -1.17 -0.57 119.26 121.64 1tox h ALA 286 Ca -0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1tox h ALA 286 Cb 0.53 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1tox h ALA 286 CO 0.08 -1.12 -0.70 1.96 0.00 0.00 0.00 179.25 179.47 1tox h GLN 287 N 0.02 0.00 -0.20 0.00 4.20 -1.12 -3.32 115.11 114.68 1tox h GLN 287 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1tox h GLN 287 Cb 1.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.54 1tox h GLN 287 CO -0.02 0.70 0.00 1.33 -0.67 0.00 0.00 178.83 180.17 1tox n VAL 288 N -3.67 0.30 -3.55 -0.54 0.24 -0.24 -4.88 118.33 105.99 1tox n VAL 288 Ca -0.01 -0.65 -0.41 0.00 -2.04 0.00 0.00 64.34 61.23 1tox n VAL 288 Cb 0.69 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 34.12 1tox n VAL 288 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1tox s ILE 289 N -1.46 4.29 0.71 1.34 -1.09 -1.10 -5.02 121.20 118.88 1tox s ILE 289 Ca 0.29 -1.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.06 1tox s ILE 289 Cb 0.18 -3.75 0.11 0.00 -1.58 0.00 0.00 42.46 37.42 1tox s ILE 289 CO 0.26 -0.68 0.99 1.51 -1.23 0.00 0.00 174.94 175.78 1tox s ASP 290 N 2.53 4.44 0.13 3.58 -4.77 -1.26 -4.36 116.67 116.95 1tox s ASP 290 Ca 0.05 -0.19 -0.19 0.00 -3.30 0.00 0.00 52.55 48.91 1tox s ASP 290 Cb -0.25 -0.26 -0.04 0.00 -1.09 0.00 0.00 42.92 41.27 1tox s ASP 290 CO 0.01 -1.80 1.75 0.28 0.70 0.00 0.00 175.17 176.11 1tox h SER 291 N -0.53 0.10 -0.51 2.11 0.02 -1.97 -2.44 113.55 110.35 1tox h SER 291 Ca -0.38 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1tox h SER 291 Cb 1.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1tox h SER 291 CO 0.44 0.09 0.18 1.05 -1.14 0.00 0.00 176.83 177.45 1tox h GLU 292 N 0.18 0.82 0.03 3.45 4.11 -1.97 -2.03 114.58 119.17 1tox h GLU 292 Ca 0.09 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1tox h GLU 292 Cb 0.04 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1tox h GLU 292 CO -0.08 0.71 -0.01 1.15 0.07 0.00 0.00 179.01 180.85 1tox h THR 293 N 0.81 1.06 0.00 -1.06 2.02 -1.89 -2.97 112.91 110.88 1tox h THR 293 Ca 0.19 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1tox h THR 293 Cb 0.22 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1tox h THR 293 CO -0.01 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.92 1tox h ALA 294 N 0.82 1.51 -0.40 6.16 0.00 -1.13 -1.84 119.26 124.38 1tox h ALA 294 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1tox h ALA 294 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1tox h ALA 294 CO 0.01 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 1tox n ASP 295 N -3.85 4.33 -3.71 0.00 8.00 -0.79 -4.76 116.55 115.77 1tox n ASP 295 Ca -0.03 -2.65 -0.13 0.00 0.71 0.00 0.00 54.79 52.68 1tox n ASP 295 Cb 0.11 -0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 1tox n ASP 295 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1tox s ASN 296 N -0.54 0.06 0.14 -2.24 3.84 -0.70 -5.04 114.94 110.46 1tox s ASN 296 Ca 0.38 0.48 -0.11 0.00 0.21 0.00 0.00 52.86 53.82 1tox s ASN 296 Cb 0.29 0.43 -0.04 0.00 -0.55 0.00 0.00 41.25 41.38 1tox s ASN 296 CO 0.11 -0.19 1.48 0.25 -2.79 0.00 0.00 177.10 175.95 1tox h LEU 297 N 7.66 0.98 -0.60 3.21 6.46 -1.87 -0.57 115.31 130.57 1tox h LEU 297 Ca -0.30 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 56.98 1tox h LEU 297 Cb 1.14 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1tox h LEU 297 CO 0.29 1.23 0.31 -0.08 -0.62 0.00 0.00 178.44 179.57 1tox h GLU 298 N 0.74 0.85 -0.24 1.25 4.57 -1.95 0.06 114.58 119.86 1tox h GLU 298 Ca 0.07 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 1tox h GLU 298 Cb 0.94 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1tox h GLU 298 CO 0.09 0.67 -0.50 0.87 -1.18 0.00 0.00 179.01 178.96 1tox h LYS 299 N 0.82 0.65 0.22 1.92 1.57 -1.78 -1.04 116.57 118.92 1tox h LYS 299 Ca 0.21 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1tox h LYS 299 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1tox h LYS 299 CO -0.03 1.00 -0.11 1.15 -0.57 0.00 0.00 179.45 180.89 1tox h THR 300 N 0.51 0.86 -0.48 -0.16 2.02 -0.85 -2.20 112.91 112.61 1tox h THR 300 Ca 0.02 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1tox h THR 300 Cb 1.05 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1tox h THR 300 CO 0.10 0.11 0.20 0.74 0.37 0.00 0.00 175.52 177.04 1tox h THR 301 N -0.54 0.89 -0.48 3.16 2.02 -0.98 0.18 112.91 117.17 1tox h THR 301 Ca -0.03 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1tox h THR 301 Cb 0.40 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1tox h THR 301 CO 0.05 0.07 0.20 0.00 0.37 0.00 0.00 175.52 176.21 1tox h ALA 302 N 1.30 1.46 -0.06 6.16 0.00 -1.20 0.23 119.26 127.14 1tox h ALA 302 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1tox h ALA 302 Cb 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tox h ALA 302 CO -0.20 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 1tox h ALA 303 N 1.55 0.10 -0.38 0.00 0.00 -0.34 -3.28 119.26 116.91 1tox h ALA 303 Ca 0.17 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1tox h ALA 303 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tox h ALA 303 CO -0.02 -0.07 -0.34 -0.07 0.00 0.00 0.00 179.25 178.76 1tox h LEU 304 N -0.29 0.90 -1.60 0.00 3.38 -0.63 -3.27 115.31 113.81 1tox h LEU 304 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1tox h LEU 304 Cb 0.62 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1tox h LEU 304 CO 0.02 1.14 0.21 0.77 0.09 0.00 0.00 178.44 180.68 1tox h SER 305 N 0.71 0.00 -0.38 -0.43 4.64 -1.00 -0.61 113.55 116.48 1tox h SER 305 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1tox h SER 305 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1tox h SER 305 CO 0.08 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 1tox n ILE 306 N -2.48 0.70 -3.27 0.95 -5.35 -1.23 -4.97 119.36 103.71 1tox n ILE 306 Ca -0.02 -0.85 -0.35 0.00 -0.27 0.00 0.00 62.75 61.27 1tox n ILE 306 Cb 0.25 0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 38.86 1tox n ILE 306 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1tox s LEU 307 N -1.13 4.27 0.55 7.28 1.43 -0.24 -5.08 118.68 125.77 1tox s LEU 307 Ca 0.31 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.55 1tox s LEU 307 Cb 0.17 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1tox s LEU 307 CO 0.24 0.01 0.83 -2.16 0.23 0.00 0.00 176.35 175.50 1tox s PRO 308 N -2.24 2.90 0.00 1.29 0.04 -1.26 -4.48 135.00 131.24 1tox s PRO 308 Ca 0.43 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1tox s PRO 308 Cb -0.14 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1tox s PRO 308 CO 0.20 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1tox n GLY 309 N -2.44 0.69 0.29 0.56 0.00 -1.26 -4.88 105.19 98.14 1tox n GLY 309 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 1tox n GLY 309 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tox h ILE 310 N 0.00 0.04 0.00 -0.61 2.10 -1.97 -2.81 117.51 114.26 1tox h ILE 310 Ca 0.00 -0.44 -0.02 0.00 1.08 0.00 0.00 64.86 65.47 1tox h ILE 310 Cb 0.00 1.42 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1tox h ILE 310 CO 0.00 0.01 -0.11 1.23 -1.08 0.00 0.00 178.15 178.20 1tox h GLY 311 N 1.63 0.00 1.08 8.18 0.00 -1.91 -1.59 103.07 110.45 1tox h GLY 311 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1tox h GLY 311 CO 0.00 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.26 1tox h SER 312 N 0.00 1.02 0.50 0.19 0.02 -1.67 -0.40 113.55 113.21 1tox h SER 312 Ca -0.00 -0.32 -0.30 0.00 -0.84 0.00 0.00 61.79 60.33 1tox h SER 312 Cb 0.28 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1tox h SER 312 CO 0.01 1.10 -1.50 1.62 -1.14 0.00 0.00 176.83 176.93 1tox h VAL 313 N 0.92 1.18 0.00 2.27 3.04 -1.70 -3.29 116.25 118.68 1tox h VAL 313 Ca 0.16 -2.84 -0.00 0.00 -1.01 0.00 0.00 66.70 63.00 1tox h VAL 313 Cb 0.60 2.74 -0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1tox h VAL 313 CO 0.04 0.81 -0.01 0.24 -1.01 0.00 0.00 177.57 177.64 1tox h MET 314 N 0.06 0.00 -2.75 4.17 2.86 -1.30 -3.44 114.93 114.53 1tox h MET 314 Ca -0.22 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.27 1tox h MET 314 Cb 1.99 0.00 0.05 0.00 0.06 0.00 0.00 31.60 33.70 1tox h MET 314 CO 0.15 0.01 -0.25 0.41 1.06 0.00 0.00 176.91 178.29 1tox n GLY 315 N 0.23 0.39 3.28 8.32 0.00 -0.27 -4.16 105.19 112.99 1tox n GLY 315 Ca 0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1tox n GLY 315 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tox s ILE 316 N -3.10 3.22 -0.03 -0.61 1.01 -0.54 -0.04 121.20 121.10 1tox s ILE 316 Ca 0.21 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 1tox s ILE 316 Cb -0.09 -2.48 0.09 0.00 0.01 0.00 0.00 42.46 39.98 1tox s ILE 316 CO 0.26 0.40 0.80 0.00 0.00 0.00 0.00 174.94 176.40 1tox s ALA 317 N 1.45 -1.80 -1.57 9.38 0.00 -0.85 -4.68 121.76 123.69 1tox s ALA 317 Ca 0.05 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 1tox s ALA 317 Cb -0.14 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1tox s ALA 317 CO -0.04 -0.50 0.01 -0.25 0.00 0.00 0.00 175.76 174.98 1tox n ASP 318 N 0.36 -5.34 0.00 0.00 8.00 -1.26 -2.13 116.55 116.18 1tox n ASP 318 Ca -0.14 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1tox n ASP 318 Cb 0.60 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 1tox n ASP 318 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tox n GLY 319 N -0.96 0.59 3.00 0.44 0.00 -1.26 -5.05 105.19 101.95 1tox n GLY 319 Ca -0.22 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1tox n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tox s ALA 320 N -2.00 0.47 -0.54 4.61 0.00 -0.90 -5.09 121.76 118.31 1tox s ALA 320 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 1tox s ALA 320 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1tox s ALA 320 CO 0.00 0.05 0.87 0.08 0.00 0.00 0.00 175.76 176.76 1tox s VAL 321 N -0.67 4.50 0.05 0.00 1.01 -1.26 -2.01 120.40 122.02 1tox s VAL 321 Ca -0.03 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1tox s VAL 321 Cb -0.05 -4.48 -0.31 0.00 0.00 0.00 0.00 36.38 31.53 1tox s VAL 321 CO 0.00 -1.04 1.08 0.45 0.00 0.00 0.00 175.10 175.60 1tox h HIS 322 N 9.23 0.83 -2.13 5.22 -0.00 -0.74 -3.39 115.15 124.18 1tox h HIS 322 Ca -0.26 -0.58 -0.65 0.00 -0.00 0.00 0.00 60.37 58.88 1tox h HIS 322 Cb 1.08 -0.04 -0.15 0.00 -0.00 0.00 0.00 27.41 28.30 1tox h HIS 322 CO 0.87 1.44 0.96 -1.01 -0.00 0.00 0.00 177.93 180.19 1tox s HIS 323 N -2.73 2.84 -0.16 2.45 3.76 -1.20 -4.75 115.29 115.50 1tox s HIS 323 Ca -0.07 -1.01 0.14 0.00 -0.15 0.00 0.00 55.06 53.96 1tox s HIS 323 Cb 0.05 -4.41 0.38 0.00 1.11 0.00 0.00 32.58 29.71 1tox s HIS 323 CO 0.92 -1.67 1.19 0.27 -0.85 0.00 0.00 174.74 174.61 1tox n ASN 324 N 7.52 1.70 -4.19 1.40 0.23 -1.26 -4.79 115.26 115.87 1tox n ASN 324 Ca 0.20 -3.44 -0.21 0.00 -0.53 0.00 0.00 54.58 50.59 1tox n ASN 324 Cb 0.49 -0.47 -0.13 0.00 -2.08 0.00 0.00 39.78 37.59 1tox n ASN 324 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1tox s THR 325 N -2.67 1.32 0.32 5.53 -4.23 -1.26 -4.98 115.64 109.67 1tox s THR 325 Ca 0.35 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1tox s THR 325 Cb 0.34 -1.19 0.29 0.00 1.34 0.00 0.00 72.50 73.27 1tox s THR 325 CO -0.06 -0.01 1.93 -0.33 -0.54 0.00 0.00 174.62 175.61 1tox h GLU 326 N 4.67 0.89 0.18 3.99 3.07 -1.95 -0.23 114.58 125.21 1tox h GLU 326 Ca -0.41 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.39 1tox h GLU 326 Cb 1.18 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1tox h GLU 326 CO 0.42 0.59 -0.09 1.49 -1.40 0.00 0.00 179.01 180.03 1tox h GLU 327 N 0.92 -0.23 -0.03 2.33 4.57 -1.95 -1.78 114.58 118.41 1tox h GLU 327 Ca 0.36 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.44 1tox h GLU 327 Cb 0.24 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1tox h GLU 327 CO -0.13 0.00 -0.56 0.82 -1.18 0.00 0.00 179.01 177.96 1tox h ILE 328 N -0.45 1.39 -0.12 2.32 2.04 -1.91 -2.59 117.51 118.20 1tox h ILE 328 Ca -0.02 -1.91 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 1tox h ILE 328 Cb 0.35 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1tox h ILE 328 CO 0.04 0.55 -0.03 0.58 0.00 0.00 0.00 178.15 179.29 1tox h VAL 329 N 0.07 1.29 0.00 1.67 2.07 -1.07 -2.26 116.25 118.03 1tox h VAL 329 Ca -0.00 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1tox h VAL 329 Cb 1.01 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1tox h VAL 329 CO 0.08 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.86 1tox h ALA 330 N 0.69 1.72 0.01 1.67 0.00 -1.24 -1.65 119.26 120.45 1tox h ALA 330 Ca 0.03 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 1tox h ALA 330 Cb 0.46 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1tox h ALA 330 CO 0.01 0.11 -0.99 1.96 0.00 0.00 0.00 179.25 180.34 1tox h GLN 331 N 0.00 0.52 -0.33 0.00 4.20 -1.35 -2.40 115.11 115.75 1tox h GLN 331 Ca -0.00 -0.56 -0.05 0.00 0.06 0.00 0.00 58.65 58.09 1tox h GLN 331 Cb 0.17 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1tox h GLN 331 CO 0.01 1.19 -0.01 1.03 -0.67 0.00 0.00 178.83 180.39 1tox h SER 332 N 0.29 0.57 -0.40 1.46 0.87 -0.74 -1.23 113.55 114.37 1tox h SER 332 Ca -0.10 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.04 1tox h SER 332 Cb 1.63 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 1tox h SER 332 CO 0.18 0.75 -0.16 0.40 -0.53 0.00 0.00 176.83 177.46 1tox h ILE 333 N 0.38 1.28 -0.75 2.23 2.04 -1.43 -2.43 117.51 118.83 1tox h ILE 333 Ca 0.09 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 1tox h ILE 333 Cb 0.46 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1tox h ILE 333 CO 0.02 0.43 0.32 0.00 0.00 0.00 0.00 178.15 178.92 1tox h ALA 334 N 0.82 1.15 -0.34 1.87 0.00 -1.41 -1.49 119.26 119.86 1tox h ALA 334 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1tox h ALA 334 Cb 0.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1tox h ALA 334 CO 0.05 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.21 1tox h LEU 335 N 1.08 0.55 -0.65 0.00 5.85 -1.11 -2.33 115.31 118.71 1tox h LEU 335 Ca 0.26 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 1tox h LEU 335 Cb 0.17 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1tox h LEU 335 CO -0.03 0.69 -0.67 0.77 -0.34 0.00 0.00 178.44 178.87 1tox h SER 336 N 0.39 0.00 0.13 1.25 4.64 -1.35 -2.64 113.55 115.97 1tox h SER 336 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1tox h SER 336 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1tox h SER 336 CO 0.01 0.67 -0.06 -1.28 -0.87 0.00 0.00 176.83 175.29 1tox h SER 337 N 0.00 -0.15 -0.68 4.97 0.87 -1.18 0.22 113.55 117.60 1tox h SER 337 Ca -0.01 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1tox h SER 337 Cb 1.19 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.14 1tox h SER 337 CO 0.09 -0.11 0.40 -0.07 -0.53 0.00 0.00 176.83 176.61 1tox h LEU 338 N -0.18 0.62 -0.57 2.23 -0.00 -1.35 -1.80 115.31 114.27 1tox h LEU 338 Ca -0.02 0.02 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 1tox h LEU 338 Cb 0.14 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1tox h LEU 338 CO 0.03 0.41 -0.33 0.24 -0.00 0.00 0.00 178.44 178.78 1tox h MET 339 N 0.75 0.79 -0.86 1.13 2.86 -1.29 -2.36 114.93 115.95 1tox h MET 339 Ca 0.29 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1tox h MET 339 Cb 0.12 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 1tox h MET 339 CO -0.15 1.00 0.45 0.28 1.06 0.00 0.00 176.91 179.55 1tox h VAL 340 N 0.66 1.25 -0.81 -2.22 2.07 -0.21 0.21 116.25 117.20 1tox h VAL 340 Ca 0.07 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1tox h VAL 340 Cb 0.88 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1tox h VAL 340 CO 0.08 0.29 0.51 0.00 0.02 0.00 0.00 177.57 178.47 1tox h ALA 341 N 1.24 1.03 -0.25 1.67 0.00 -1.20 -0.65 119.26 121.10 1tox h ALA 341 Ca 0.30 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1tox h ALA 341 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1tox h ALA 341 CO -0.04 0.48 -0.47 1.96 0.00 0.00 0.00 179.25 181.18 1tox h GLN 342 N 1.11 0.65 0.00 0.00 1.08 -0.84 -3.22 115.11 113.89 1tox h GLN 342 Ca 0.29 -0.37 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 1tox h GLN 342 Cb -0.08 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1tox h GLN 342 CO -0.06 0.98 -0.53 0.00 -0.95 0.00 0.00 178.83 178.27 1tox h ALA 343 N 0.96 1.04 -0.10 3.87 0.00 -0.00 -3.31 119.26 121.72 1tox h ALA 343 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1tox h ALA 343 Cb 1.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1tox h ALA 343 CO 0.09 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.78 1tox h ILE 344 N 0.00 0.85 0.00 0.00 2.04 -1.14 -0.28 117.51 118.97 1tox h ILE 344 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1tox h ILE 344 Cb 0.98 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1tox h ILE 344 CO 0.07 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.77 1tox h PRO 345 N -0.04 0.00 0.12 2.37 0.13 -1.73 0.23 132.00 133.09 1tox h PRO 345 Ca 0.06 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.83 1tox h PRO 345 Cb 0.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1tox h PRO 345 CO -0.12 0.00 -1.91 -0.07 -0.23 0.00 0.00 178.00 175.67 1tox h LEU 346 N 0.00 0.40 -3.36 1.56 3.38 -1.60 -2.89 115.31 112.80 1tox h LEU 346 Ca 0.00 -0.83 -0.19 0.00 0.09 0.00 0.00 57.88 56.95 1tox h LEU 346 Cb 0.46 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 40.69 1tox h LEU 346 CO 0.00 1.74 -1.05 1.33 0.09 0.00 0.00 178.44 180.55 1tox n VAL 347 N -3.45 0.20 -3.03 1.22 0.24 -0.15 -1.67 118.33 111.70 1tox n VAL 347 Ca -0.28 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 1tox n VAL 347 Cb 1.05 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.46 1tox n VAL 347 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tox n GLY 348 N 0.33 6.92 0.00 7.63 0.00 0.81 -3.57 105.19 117.32 1tox n GLY 348 Ca 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1tox n GLY 348 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tox n GLU 349 N 0.00 0.00 0.00 1.61 0.28 -1.26 -4.91 120.64 116.36 1tox n GLU 349 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1tox n GLU 349 Cb 0.00 -0.25 0.00 0.00 1.43 0.00 0.00 31.44 32.62 1tox n GLU 349 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1tox n LEU 350 N 0.00 0.00 -4.17 -1.84 -0.00 -1.26 -4.82 117.00 104.91 1tox n LEU 350 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 1tox n LEU 350 Cb 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.50 1tox n LEU 350 CO 0.00 0.00 -0.01 0.68 -0.00 0.00 0.00 177.39 178.06 1tox s VAL 351 N 1.32 3.98 0.57 1.47 -7.23 -1.26 -4.84 120.40 114.40 1tox s VAL 351 Ca 0.00 -2.17 0.48 0.00 -1.81 0.00 0.00 61.98 58.47 1tox s VAL 351 Cb 0.00 -3.62 0.70 0.00 0.56 0.00 0.00 36.38 34.02 1tox s VAL 351 CO 0.00 -0.80 1.54 -2.24 -0.31 0.00 0.00 175.10 173.30 1tox h ASP 352 N 7.98 0.00 0.00 4.85 3.04 -1.94 -3.31 116.42 127.04 1tox h ASP 352 Ca -0.12 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.67 1tox h ASP 352 Cb 1.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 1tox h ASP 352 CO 0.78 0.00 0.00 -0.38 -2.04 0.00 0.00 179.24 177.60 1tox n ILE 353 N -3.85 0.00 -0.05 4.15 5.41 -1.26 -1.89 119.36 121.87 1tox n ILE 353 Ca 0.42 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 64.02 1tox n ILE 353 Cb 1.95 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 40.75 1tox n ILE 353 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1tox h GLY 354 N 0.00 0.05 -0.76 7.39 0.00 -2.00 -3.39 103.07 104.36 1tox h GLY 354 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1tox h GLY 354 CO 0.00 0.11 -0.45 0.33 0.00 0.00 0.00 176.54 176.53 1tox n PHE 355 N -4.54 -0.34 -0.25 5.60 7.35 -1.04 0.13 117.46 124.37 1tox n PHE 355 Ca -0.11 0.96 0.14 0.00 -0.76 0.00 0.00 57.45 57.68 1tox n PHE 355 Cb 0.53 -0.56 0.43 0.00 0.35 0.00 0.00 39.48 40.24 1tox n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tox h ALA 356 N 0.33 1.97 0.00 3.13 0.00 -1.57 -0.58 119.26 122.53 1tox h ALA 356 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1tox h ALA 356 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1tox h ALA 356 CO -0.72 -0.22 -1.45 0.00 0.00 0.00 0.00 179.25 176.86 1tox n ALA 357 N -2.46 3.70 -1.85 0.00 0.00 0.75 -4.00 120.51 116.65 1tox n ALA 357 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1tox n ALA 357 Cb 0.54 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1tox n ALA 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1tox n TYR 358 N -1.85 0.00 0.22 0.00 4.01 0.34 -4.58 117.16 115.31 1tox n TYR 358 Ca -0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1tox n TYR 358 Cb 0.43 0.00 0.50 0.00 -0.31 0.00 0.00 39.34 39.96 1tox n TYR 358 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1tox h ASN 359 N 0.00 0.00 0.15 7.72 2.35 -1.74 -2.43 115.58 121.62 1tox h ASN 359 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1tox h ASN 359 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1tox h ASN 359 CO 0.00 0.24 -0.07 0.15 -1.65 0.00 0.00 177.43 176.10 1tox h PHE 360 N 0.00 -0.18 -0.25 1.19 3.57 -1.36 0.22 116.94 120.13 1tox h PHE 360 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1tox h PHE 360 Cb 0.66 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1tox h PHE 360 CO 0.00 -0.05 -0.16 0.28 -2.23 0.00 0.00 178.31 176.15 1tox h VAL 361 N -0.27 1.23 -0.16 1.41 2.07 -1.64 0.72 116.25 119.62 1tox h VAL 361 Ca -0.02 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 1tox h VAL 361 Cb 0.22 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1tox h VAL 361 CO 0.03 0.34 -0.29 -0.33 0.02 0.00 0.00 177.57 177.34 1tox h GLU 362 N 0.40 0.47 0.02 1.57 4.39 -1.20 -2.46 114.58 117.76 1tox h GLU 362 Ca 0.07 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 1tox h GLU 362 Cb 0.52 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1tox h GLU 362 CO 0.03 0.90 -0.01 1.03 -1.16 0.00 0.00 179.01 179.80 1tox h SER 363 N 0.10 -0.02 -0.77 1.42 0.87 -0.31 -2.91 113.55 111.93 1tox h SER 363 Ca 0.01 -0.33 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 1tox h SER 363 Cb 0.87 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 1tox h SER 363 CO 0.06 0.32 0.51 -0.29 -0.53 0.00 0.00 176.83 176.90 1tox h ILE 364 N -0.36 1.13 -0.62 2.23 2.10 -0.93 -1.67 117.51 119.39 1tox h ILE 364 Ca -0.00 -0.33 0.05 0.00 1.08 0.00 0.00 64.86 65.66 1tox h ILE 364 Cb 0.35 0.09 -0.05 0.00 -1.09 0.00 0.00 36.82 36.12 1tox h ILE 364 CO 0.00 0.17 0.35 0.40 -1.08 0.00 0.00 178.15 178.00 1tox h ILE 365 N 0.95 0.99 -0.43 2.19 2.04 -1.42 -0.94 117.51 120.89 1tox h ILE 365 Ca 0.30 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1tox h ILE 365 Cb 0.02 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1tox h ILE 365 CO -0.08 0.12 0.27 -1.13 0.00 0.00 0.00 178.15 177.32 1tox h ASN 366 N 0.66 0.44 -0.57 1.72 -1.24 -1.12 -2.32 115.58 113.14 1tox h ASN 366 Ca 0.27 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.23 1tox h ASN 366 Cb 0.13 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1tox h ASN 366 CO -0.16 0.32 0.20 -0.07 -1.29 0.00 0.00 177.43 176.44 1tox h LEU 367 N 0.54 0.85 -0.26 0.34 3.38 -0.68 -1.81 115.31 117.68 1tox h LEU 367 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tox h LEU 367 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1tox h LEU 367 CO -0.06 0.79 0.16 -0.26 0.09 0.00 0.00 178.44 179.16 1tox h PHE 368 N 0.89 0.33 -0.74 1.13 -1.00 -0.85 -2.02 116.94 114.69 1tox h PHE 368 Ca 0.20 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.01 1tox h PHE 368 Cb 0.24 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 1tox h PHE 368 CO 0.02 0.24 0.49 1.96 -1.61 0.00 0.00 178.31 179.40 1tox h GLN 369 N 0.33 0.93 -0.17 1.51 4.20 -0.97 0.14 115.11 121.08 1tox h GLN 369 Ca 0.09 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1tox h GLN 369 Cb -0.01 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1tox h GLN 369 CO -0.02 0.61 0.03 0.28 -0.67 0.00 0.00 178.83 179.06 1tox h VAL 370 N 0.95 1.22 -0.16 -0.54 2.07 -0.89 -2.00 116.25 116.91 1tox h VAL 370 Ca 0.28 -0.73 -0.16 0.00 0.82 0.00 0.00 66.70 66.91 1tox h VAL 370 Cb -0.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1tox h VAL 370 CO -0.07 0.22 -0.58 0.58 0.02 0.00 0.00 177.57 177.73 1tox h VAL 371 N 0.06 1.33 -0.55 2.57 2.07 -0.97 -2.71 116.25 118.06 1tox h VAL 371 Ca 0.05 -1.86 -0.07 0.00 0.82 0.00 0.00 66.70 65.64 1tox h VAL 371 Cb 0.31 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1tox h VAL 371 CO 0.00 0.57 0.08 0.45 0.02 0.00 0.00 177.57 178.69 1tox h HIS 372 N 0.38 0.99 -0.76 1.57 -0.00 -0.76 -2.59 115.15 113.98 1tox h HIS 372 Ca -0.00 -0.14 0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1tox h HIS 372 Cb 1.13 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 28.20 1tox h HIS 372 CO 0.04 0.88 0.43 -0.97 -0.00 0.00 0.00 177.93 178.31 1tox h ASN 373 N 0.82 0.63 -0.28 2.45 -0.73 -1.24 -0.45 115.58 116.77 1tox h ASN 373 Ca 0.17 0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.39 1tox h ASN 373 Cb 0.43 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 1tox h ASN 373 CO 0.01 0.38 0.14 0.28 -0.37 0.00 0.00 177.43 177.88 1tox h SER 374 N 0.75 0.22 1.20 1.15 0.02 -1.24 -2.04 113.55 113.61 1tox h SER 374 Ca 0.35 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1tox h SER 374 Cb 0.27 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1tox h SER 374 CO -0.22 0.17 -0.08 1.88 -1.14 0.00 0.00 176.83 177.44 1tox h TYR 375 N 0.30 0.00 0.00 3.45 0.05 -1.10 -2.93 116.97 116.75 1tox h TYR 375 Ca 0.11 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 1tox h TYR 375 Cb 0.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1tox h TYR 375 CO -0.09 0.08 -0.59 -0.91 -1.05 0.00 0.00 178.16 175.60 1tox h ASN 376 N 0.00 0.00 -3.75 3.88 2.35 -0.53 -3.45 115.58 114.08 1tox h ASN 376 Ca -0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1tox h ASN 376 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1tox h ASN 376 CO 0.01 0.59 0.41 -0.13 -1.65 0.00 0.00 177.43 176.66 1tox s ARG 377 N -3.12 4.75 0.15 0.81 0.52 -0.82 -4.82 118.95 116.43 1tox s ARG 377 Ca 0.02 1.62 -0.32 0.00 -0.52 0.00 0.00 55.73 56.54 1tox s ARG 377 Cb 0.09 -3.25 -0.11 0.00 0.52 0.00 0.00 34.95 32.20 1tox s ARG 377 CO 0.75 0.36 1.79 -2.30 0.02 0.00 0.00 175.30 175.92 1tox n PRO 378 N 1.49 2.77 -3.75 3.54 -0.02 -1.26 -4.97 135.00 132.79 1tox n PRO 378 Ca -0.01 1.00 -0.10 0.00 -2.02 0.00 0.00 63.50 62.37 1tox n PRO 378 Cb 0.46 -2.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.00 1tox n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tox s ALA 379 N 2.11 -0.56 -0.07 3.55 0.00 -1.26 -4.92 121.76 120.60 1tox s ALA 379 Ca 0.79 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 1tox s ALA 379 Cb -0.50 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1tox s ALA 379 CO 0.35 -0.56 0.51 0.71 0.00 0.00 0.00 175.76 176.78 1tox s TYR 380 N -3.73 3.59 0.74 0.00 2.02 -1.26 -5.08 117.35 113.63 1tox s TYR 380 Ca 0.03 1.00 -0.11 0.00 -0.37 0.00 0.00 57.07 57.62 1tox s TYR 380 Cb 0.03 -2.55 0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1tox s TYR 380 CO -0.11 0.27 1.09 -1.12 -1.57 0.00 0.00 175.55 174.11 1tox s SER 381 N 0.23 5.02 0.37 2.29 0.01 -1.26 -4.93 113.70 115.42 1tox s SER 381 Ca 0.28 1.29 -0.26 0.00 1.31 0.00 0.00 55.95 58.57 1tox s SER 381 Cb -0.16 -2.08 -0.12 0.00 0.21 0.00 0.00 66.02 63.87 1tox s SER 381 CO 0.13 -1.63 1.05 -2.65 0.41 0.00 0.00 173.24 170.55 1tox n PRO 382 N -3.22 1.48 -0.77 12.44 -0.02 -1.26 -1.64 135.00 142.01 1tox n PRO 382 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1tox n PRO 382 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1tox n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tox n GLY 383 N 1.13 1.43 3.83 -1.23 0.00 0.13 -4.80 105.19 105.67 1tox n GLY 383 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1tox n GLY 383 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tox s HIS 384 N -3.75 3.42 0.00 1.61 3.76 -0.65 -0.13 115.29 119.55 1tox s HIS 384 Ca 0.00 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1tox s HIS 384 Cb 0.00 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1tox s HIS 384 CO 0.00 0.62 0.00 1.63 -0.85 0.00 0.00 174.74 176.14 1tox n LYS 385 N 1.46 0.00 -0.58 1.40 4.01 -1.26 -0.32 118.16 122.87 1tox n LYS 385 Ca -0.15 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.69 1tox n LYS 385 Cb 0.53 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 35.31 1tox n LYS 385 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1tox n THR 386 N 0.00 1.76 -2.79 -0.18 -2.24 -1.26 -4.08 114.28 105.49 1tox n THR 386 Ca 0.00 -0.89 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 1tox n THR 386 Cb 0.00 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 1tox n THR 386 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1tox s GLN 387 N -2.12 4.37 0.48 -0.78 -1.52 0.56 -4.78 119.66 115.87 1tox s GLN 387 Ca 0.35 1.20 -0.23 0.00 -1.95 0.00 0.00 55.36 54.73 1tox s GLN 387 Cb 0.27 -3.55 -0.07 0.00 -0.22 0.00 0.00 33.01 29.44 1tox s GLN 387 CO 0.10 -0.31 1.29 -2.14 -0.25 0.00 0.00 175.29 173.98 1tox s PRO 388 N 2.03 3.57 -0.27 2.91 0.02 -1.26 0.17 135.00 142.17 1tox s PRO 388 Ca 0.43 2.08 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 1tox s PRO 388 Cb -0.17 -2.45 -0.03 0.00 0.02 0.00 0.00 34.50 31.87 1tox s PRO 388 CO 0.15 -0.79 0.12 0.12 -0.33 0.00 0.00 177.00 176.27 1tox s PHE 389 N -1.36 3.14 -0.21 6.54 2.19 0.30 -3.65 117.98 124.92 1tox s PHE 389 Ca 0.65 -0.32 -0.04 0.00 0.33 0.00 0.00 56.93 57.55 1tox s PHE 389 Cb -0.36 -2.30 -0.01 0.00 -1.31 0.00 0.00 43.02 39.03 1tox s PHE 389 CO 0.44 -0.33 -0.04 -0.51 1.83 0.00 0.00 175.22 176.61 1tox s LEU 390 N 1.65 2.92 -0.29 6.12 1.43 -1.26 -1.42 118.68 127.83 1tox s LEU 390 Ca 0.06 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 1tox s LEU 390 Cb -0.16 -1.74 0.14 0.00 0.03 0.00 0.00 46.19 44.46 1tox s LEU 390 CO 0.06 -0.00 1.06 -2.28 0.23 0.00 0.00 176.35 175.41 1tox s HIS 391 N 1.39 -0.46 -2.13 0.29 2.46 -0.95 -4.96 115.29 110.93 1tox s HIS 391 Ca 0.05 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.58 1tox s HIS 391 Cb -0.14 0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 1tox s HIS 391 CO -0.02 -0.22 0.00 -0.25 -2.47 0.00 0.00 174.74 171.77 1tox n ASP 392 N 2.84 -5.40 0.00 9.88 8.00 -1.26 -1.38 116.55 129.23 1tox n ASP 392 Ca -0.15 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1tox n ASP 392 Cb 0.57 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.91 1tox n ASP 392 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tox n GLY 393 N -0.43 1.23 3.90 0.44 0.00 -1.26 -5.03 105.19 104.05 1tox n GLY 393 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1tox n GLY 393 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tox s TYR 394 N -2.34 3.49 -0.09 1.61 2.02 -0.48 -0.03 117.35 121.53 1tox s TYR 394 Ca 0.00 0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 57.43 1tox s TYR 394 Cb 0.00 -2.20 0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1tox s TYR 394 CO 0.00 0.03 -0.01 0.00 -1.57 0.00 0.00 175.55 174.00 1tox s ALA 395 N -2.27 0.87 0.05 3.71 0.00 0.10 -2.24 121.76 121.98 1tox s ALA 395 Ca 0.46 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1tox s ALA 395 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1tox s ALA 395 CO 0.33 -0.51 -0.15 0.14 0.00 0.00 0.00 175.76 175.57 1tox s VAL 396 N 1.90 1.21 0.05 0.00 -7.23 -0.51 -1.63 120.40 114.19 1tox s VAL 396 Ca 0.04 -1.13 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 1tox s VAL 396 Cb -0.13 -1.11 0.08 0.00 0.56 0.00 0.00 36.38 35.79 1tox s VAL 396 CO -0.06 -0.03 0.73 -0.94 -0.31 0.00 0.00 175.10 174.49 1tox s SER 397 N -1.33 -0.51 0.17 4.85 1.04 -0.82 -0.54 113.70 116.57 1tox s SER 397 Ca 0.02 0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.30 1tox s SER 397 Cb -0.09 0.50 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 1tox s SER 397 CO 0.02 -0.75 1.20 0.26 0.98 0.00 0.00 173.24 174.94 1tox s TRP 398 N -2.89 3.43 0.28 5.02 0.52 -1.26 -0.14 118.94 123.90 1tox s TRP 398 Ca -0.00 1.41 -0.00 0.00 0.02 0.00 0.00 56.10 57.53 1tox s TRP 398 Cb -0.01 -3.43 0.48 0.00 -1.15 0.00 0.00 33.47 29.37 1tox s TRP 398 CO -0.07 -1.20 1.86 -0.97 0.02 0.00 0.00 176.95 176.60 1tox h ASN 399 N 5.42 0.98 -5.40 2.95 -1.24 -1.41 -3.42 115.58 113.47 1tox h ASN 399 Ca -0.44 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 56.44 1tox h ASN 399 Cb 1.21 -0.18 -0.13 0.00 0.73 0.00 0.00 38.32 39.96 1tox h ASN 399 CO 0.75 0.58 -0.41 0.42 -1.29 0.00 0.00 177.43 177.48 1tox s THR 400 N -5.99 0.03 0.21 -3.57 -4.23 -1.26 -5.02 115.64 95.81 1tox s THR 400 Ca -0.12 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1tox s THR 400 Cb 0.21 -2.21 0.16 0.00 1.34 0.00 0.00 72.50 72.00 1tox s THR 400 CO 0.81 -0.12 1.79 0.58 -0.54 0.00 0.00 174.62 177.13 1tox h VAL 401 N 2.53 1.26 -0.64 2.29 2.07 -1.89 -2.79 116.25 119.08 1tox h VAL 401 Ca -0.32 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1tox h VAL 401 Cb 1.24 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1tox h VAL 401 CO 0.48 0.33 0.42 -0.08 0.02 0.00 0.00 177.57 178.73 1tox h GLU 402 N 1.16 0.71 -0.45 1.57 4.57 -1.96 -1.13 114.58 119.05 1tox h GLU 402 Ca 0.27 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1tox h GLU 402 Cb 0.19 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1tox h GLU 402 CO -0.03 0.47 0.30 -0.44 -1.18 0.00 0.00 179.01 178.13 1tox h ASP 403 N 0.73 0.51 0.22 1.04 3.32 -1.82 -1.40 116.42 119.03 1tox h ASP 403 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1tox h ASP 403 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1tox h ASP 403 CO -0.07 0.37 0.00 -1.54 -1.72 0.00 0.00 179.24 176.28 1tox n SER 404 N -4.47 0.00 -4.47 6.45 3.41 -0.43 -4.71 113.62 109.40 1tox n SER 404 Ca 0.04 -0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 57.79 1tox n SER 404 Cb 0.06 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1tox n SER 404 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1tox s ILE 405 N -2.26 3.89 -0.38 -1.33 1.01 -0.53 -2.05 121.20 119.55 1tox s ILE 405 Ca 0.34 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1tox s ILE 405 Cb 0.18 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.95 1tox s ILE 405 CO 0.36 0.47 0.22 -0.63 0.00 0.00 0.00 174.94 175.35 1tox s ILE 406 N 0.65 4.69 0.28 2.92 1.01 0.27 -4.95 121.20 126.06 1tox s ILE 406 Ca -0.02 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 1tox s ILE 406 Cb -0.14 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1tox s ILE 406 CO 0.02 -0.24 0.81 -0.13 0.00 0.00 0.00 174.94 175.41 1tox s ARG 407 N 1.58 4.35 0.25 2.79 0.52 -1.26 -1.69 118.95 125.48 1tox s ARG 407 Ca 0.03 1.03 0.05 0.00 -0.52 0.00 0.00 55.73 56.31 1tox s ARG 407 Cb -0.19 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 1tox s ARG 407 CO 0.07 0.31 -0.03 -0.08 0.02 0.00 0.00 175.30 175.60 1tox s THR 408 N -1.62 1.29 0.00 0.02 -1.32 -0.37 -4.87 115.64 108.76 1tox s THR 408 Ca 0.47 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1tox s THR 408 Cb -0.16 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1tox s THR 408 CO 0.21 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1tox n GLY 409 N -0.47 1.05 3.32 6.08 0.00 -1.25 -4.70 105.19 109.22 1tox n GLY 409 Ca -0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1tox n GLY 409 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tox s PHE 410 N -2.00 -0.24 -0.19 1.61 -0.71 -1.24 -4.76 117.98 110.45 1tox s PHE 410 Ca 0.00 0.08 -0.15 0.00 -1.04 0.00 0.00 56.93 55.82 1tox s PHE 410 Cb 0.00 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1tox s PHE 410 CO 0.00 -0.63 0.34 -0.65 -1.34 0.00 0.00 175.22 172.94 1tox s GLN 411 N -3.06 4.19 0.00 1.99 -0.21 -1.25 -4.36 119.66 116.95 1tox s GLN 411 Ca -0.02 0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1tox s GLN 411 Cb 0.00 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.51 1tox s GLN 411 CO -0.07 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 1tox n GLY 412 N 3.82 -0.91 3.71 3.09 0.00 -1.06 -4.96 105.19 108.89 1tox n GLY 412 Ca -0.10 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 1tox n GLY 412 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tox s GLU 413 N -2.00 2.26 -0.09 1.61 0.41 -1.26 -0.20 118.70 119.43 1tox s GLU 413 Ca 0.00 -1.69 -0.26 0.00 -0.41 0.00 0.00 54.97 52.61 1tox s GLU 413 Cb 0.00 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.35 1tox s GLU 413 CO 0.00 0.04 0.61 -1.54 -0.49 0.00 0.00 175.26 173.88 1tox s SER 414 N -3.84 -0.58 0.09 -0.19 1.04 -1.00 -4.99 113.70 104.23 1tox s SER 414 Ca 0.38 0.76 0.10 0.00 0.48 0.00 0.00 55.95 57.67 1tox s SER 414 Cb 0.00 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 1tox s SER 414 CO 0.22 -0.48 -0.24 -0.83 0.98 0.00 0.00 173.24 172.89 1tox s GLY 415 N -0.82 1.55 -0.11 7.32 0.00 -1.26 -1.50 107.32 112.50 1tox s GLY 415 Ca -0.09 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.25 1tox s GLY 415 CO 0.07 -1.30 0.06 0.30 0.00 0.00 0.00 173.10 172.24 1tox s HIS 416 N -0.98 0.27 -0.09 1.90 3.76 0.70 -4.85 115.29 116.00 1tox s HIS 416 Ca 0.14 -0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.72 1tox s HIS 416 Cb -0.10 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 1tox s HIS 416 CO 0.06 -0.38 0.56 -0.51 -0.85 0.00 0.00 174.74 173.62 1tox s ASP 417 N 2.11 6.81 -0.16 1.40 1.01 -1.26 -1.09 116.67 125.49 1tox s ASP 417 Ca 0.03 0.97 0.01 0.00 0.71 0.00 0.00 52.55 54.27 1tox s ASP 417 Cb -0.14 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.48 1tox s ASP 417 CO -0.06 -0.02 -0.17 -0.63 0.21 0.00 0.00 175.17 174.50 1tox s ILE 418 N 0.57 1.80 0.10 0.77 1.01 0.78 -0.98 121.20 125.25 1tox s ILE 418 Ca 0.30 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 1tox s ILE 418 Cb -0.16 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1tox s ILE 418 CO 0.14 0.50 0.83 -0.54 0.00 0.00 0.00 174.94 175.86 1tox s LYS 419 N 1.38 4.59 -0.02 2.79 1.02 0.80 -0.60 119.74 129.69 1tox s LYS 419 Ca 0.04 1.21 0.01 0.00 0.02 0.00 0.00 55.97 57.26 1tox s LYS 419 Cb -0.13 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1tox s LYS 419 CO -0.11 0.34 -0.03 0.42 -0.92 0.00 0.00 175.35 175.05 1tox s ILE 420 N -0.34 0.34 0.34 2.17 1.01 -0.56 -1.94 121.20 122.21 1tox s ILE 420 Ca 0.40 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.82 1tox s ILE 420 Cb -0.22 -0.35 0.03 0.00 0.01 0.00 0.00 42.46 41.93 1tox s ILE 420 CO 0.26 0.14 0.69 0.28 0.00 0.00 0.00 174.94 176.32 1tox s THR 421 N 0.51 0.00 0.08 2.92 -1.32 -0.65 -0.75 115.64 116.43 1tox s THR 421 Ca -0.06 -1.13 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 1tox s THR 421 Cb -0.09 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 1tox s THR 421 CO -0.01 0.00 -0.09 0.00 -2.21 0.00 0.00 174.62 172.31 1tox s ALA 422 N -3.03 0.93 0.33 11.08 0.00 -1.26 -0.72 121.76 129.09 1tox s ALA 422 Ca 0.17 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1tox s ALA 422 Cb -0.04 0.05 0.58 0.00 0.00 0.00 0.00 23.12 23.70 1tox s ALA 422 CO 0.11 -0.05 1.92 1.49 0.00 0.00 0.00 175.76 179.23 1tox h GLU 423 N 3.78 0.71 0.00 0.00 4.81 -0.77 -2.81 114.58 120.30 1tox h GLU 423 Ca -0.37 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1tox h GLU 423 Cb 1.19 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1tox h GLU 423 CO 0.51 0.59 0.00 -1.71 -0.73 0.00 0.00 179.01 177.67 1tox n ASN 424 N -4.35 0.00 -4.68 1.04 5.15 -1.26 -4.18 115.26 106.98 1tox n ASN 424 Ca 0.04 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.71 1tox n ASN 424 Cb 0.16 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.56 1tox n ASN 424 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1tox s THR 425 N 0.76 2.42 -0.14 -0.44 -4.23 -1.26 -1.49 115.64 111.26 1tox s THR 425 Ca 0.00 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.35 1tox s THR 425 Cb 0.00 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1tox s THR 425 CO 0.00 -0.18 1.66 -2.84 -0.54 0.00 0.00 174.62 172.72 1tox s PRO 426 N -4.72 3.96 -0.03 3.99 0.02 -1.26 -4.49 135.00 132.48 1tox s PRO 426 Ca 0.65 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.67 1tox s PRO 426 Cb -0.21 -4.02 -0.02 0.00 0.02 0.00 0.00 34.50 30.26 1tox s PRO 426 CO 0.58 -1.10 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.44 1tox s LEU 427 N 4.74 2.44 0.49 -5.54 1.43 0.62 -4.87 118.68 118.00 1tox s LEU 427 Ca 0.74 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 1tox s LEU 427 Cb -0.29 -1.46 -0.07 0.00 0.03 0.00 0.00 46.19 44.39 1tox s LEU 427 CO 0.29 0.32 0.93 -2.16 0.23 0.00 0.00 176.35 175.97 1tox s PRO 428 N -0.77 3.90 -0.28 1.29 0.04 -1.26 -0.43 135.00 137.49 1tox s PRO 428 Ca 0.11 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1tox s PRO 428 Cb -0.10 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.29 1tox s PRO 428 CO 0.00 -0.22 -0.05 0.42 0.04 0.00 0.00 177.00 177.20 1tox s ILE 429 N -2.57 2.61 0.25 0.56 -1.09 -0.09 -3.26 121.20 117.61 1tox s ILE 429 Ca 0.57 -1.53 -0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1tox s ILE 429 Cb -0.10 -2.52 0.05 0.00 -1.58 0.00 0.00 42.46 38.31 1tox s ILE 429 CO 0.32 -0.09 1.68 0.00 -1.23 0.00 0.00 174.94 175.62 1tox h ALA 430 N 7.89 0.99 0.00 9.38 0.00 -1.01 -3.39 119.26 133.11 1tox h ALA 430 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1tox h ALA 430 Cb 1.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1tox h ALA 430 CO 0.50 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.76 1tox n GLY 431 N -0.31 -0.50 2.95 0.00 0.00 -1.22 -4.15 105.19 101.97 1tox n GLY 431 Ca -0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 1tox n GLY 431 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tox s VAL 432 N -3.03 -0.03 -0.22 1.61 0.11 -0.27 -1.39 120.40 117.18 1tox s VAL 432 Ca 0.00 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 1tox s VAL 432 Cb 0.00 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1tox s VAL 432 CO 0.00 0.04 0.36 -0.76 -3.33 0.00 0.00 175.10 171.42 1tox s LEU 433 N 0.73 4.13 -0.07 2.54 1.43 0.39 -1.01 118.68 126.81 1tox s LEU 433 Ca -0.05 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1tox s LEU 433 Cb -0.07 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 1tox s LEU 433 CO -0.03 -0.08 -0.20 -0.76 0.23 0.00 0.00 176.35 175.50 1tox s LEU 434 N 1.42 1.95 0.32 1.79 1.43 0.82 -2.02 118.68 124.40 1tox s LEU 434 Ca 0.17 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 1tox s LEU 434 Cb -0.15 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.81 1tox s LEU 434 CO 0.08 0.15 1.12 -2.84 0.23 0.00 0.00 176.35 175.09 1tox s PRO 435 N 0.21 4.44 0.38 1.29 0.02 -1.26 -0.24 135.00 139.84 1tox s PRO 435 Ca -0.11 1.80 0.06 0.00 0.02 0.00 0.00 61.00 62.78 1tox s PRO 435 Cb -0.15 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 1tox s PRO 435 CO 0.05 0.03 0.23 0.95 -0.33 0.00 0.00 177.00 177.93 1tox s THR 436 N -1.28 0.21 -0.38 0.99 -4.23 -0.39 -4.90 115.64 105.66 1tox s THR 436 Ca 0.49 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1tox s THR 436 Cb -0.31 -2.40 0.15 0.00 1.34 0.00 0.00 72.50 71.29 1tox s THR 436 CO 0.40 0.00 0.30 -0.63 -0.54 0.00 0.00 174.62 174.14 1tox s ILE 437 N -3.30 0.08 -0.39 2.99 1.01 -0.60 -3.90 121.20 117.10 1tox s ILE 437 Ca 0.32 -1.88 -0.42 0.00 0.00 0.00 0.00 60.65 58.67 1tox s ILE 437 Cb 0.02 -1.05 -0.17 0.00 0.01 0.00 0.00 42.46 41.27 1tox s ILE 437 CO 0.23 -0.97 1.85 -2.65 0.00 0.00 0.00 174.94 173.39 1tox n PRO 438 N 3.63 0.60 0.00 2.79 -0.02 -1.26 -0.68 135.00 140.07 1tox n PRO 438 Ca 0.18 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1tox n PRO 438 Cb 0.43 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1tox n PRO 438 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tox n GLY 439 N 5.14 3.02 0.09 -1.23 0.00 -1.26 -4.83 105.19 106.12 1tox n GLY 439 Ca 0.35 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1tox n GLY 439 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1tox h LYS 440 N 0.00 0.00 -4.46 1.61 3.64 -1.42 -3.34 116.57 112.61 1tox h LYS 440 Ca 0.00 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 1tox h LYS 440 Cb 0.00 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 31.44 1tox h LYS 440 CO 0.00 0.87 -0.78 -1.17 -2.27 0.00 0.00 179.45 176.10 1tox s LEU 441 N -8.03 3.09 0.32 5.20 2.96 0.14 -1.87 118.68 120.49 1tox s LEU 441 Ca -0.23 -1.42 0.09 0.00 -0.22 0.00 0.00 54.13 52.34 1tox s LEU 441 Cb 0.03 -1.31 -0.06 0.00 0.50 0.00 0.00 46.19 45.35 1tox s LEU 441 CO 0.56 -0.26 -0.08 -1.81 -1.32 0.00 0.00 176.35 173.43 1tox s ASP 442 N 1.27 3.39 0.13 3.68 1.01 0.08 -1.56 116.67 124.68 1tox s ASP 442 Ca -0.03 -1.19 -0.28 0.00 0.71 0.00 0.00 52.55 51.76 1tox s ASP 442 Cb -0.19 -0.29 -0.07 0.00 1.01 0.00 0.00 42.92 43.39 1tox s ASP 442 CO -0.08 -0.25 0.87 -0.69 0.21 0.00 0.00 175.17 175.23 1tox s VAL 443 N -2.75 4.45 -0.73 -1.27 1.01 -1.26 0.11 120.40 119.96 1tox s VAL 443 Ca 0.31 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 64.02 1tox s VAL 443 Cb 0.03 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 32.35 1tox s VAL 443 CO 0.15 0.41 0.74 0.21 0.00 0.00 0.00 175.10 176.60 1tox s ASN 444 N -0.48 6.51 0.58 3.32 3.84 0.14 -4.70 114.94 124.15 1tox s ASN 444 Ca 0.41 -2.19 0.28 0.00 0.21 0.00 0.00 52.86 51.58 1tox s ASN 444 Cb -0.23 -2.25 1.51 0.00 -0.55 0.00 0.00 41.25 39.73 1tox s ASN 444 CO 0.28 -0.79 1.95 0.11 -2.79 0.00 0.00 177.10 175.86 1tox h LYS 445 N 8.41 0.00 0.00 0.43 1.57 -1.92 -1.54 116.57 123.52 1tox h LYS 445 Ca -0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1tox h LYS 445 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1tox h LYS 445 CO 0.92 0.00 -0.96 0.66 -0.57 0.00 0.00 179.45 179.50 1tox h SER 446 N 0.00 0.00 -0.01 0.86 4.64 -1.93 -3.35 113.55 113.77 1tox h SER 446 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1tox h SER 446 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1tox h SER 446 CO -0.00 0.64 -0.58 0.29 -0.87 0.00 0.00 176.83 176.31 1tox n LYS 447 N -3.12 1.25 -3.05 4.77 4.01 -0.93 -4.88 118.16 116.20 1tox n LYS 447 Ca -0.03 -0.57 -0.41 0.00 -0.51 0.00 0.00 58.31 56.79 1tox n LYS 447 Cb 0.82 -1.38 -0.06 0.00 -0.51 0.00 0.00 35.03 33.91 1tox n LYS 447 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1tox s THR 448 N -2.40 4.95 0.36 -0.18 2.01 -0.62 -4.34 115.64 115.42 1tox s THR 448 Ca 0.13 1.28 -0.13 0.00 0.31 0.00 0.00 61.69 63.27 1tox s THR 448 Cb 0.15 -3.99 0.04 0.00 0.01 0.00 0.00 72.50 68.71 1tox s THR 448 CO 0.59 0.03 0.70 -1.38 -0.69 0.00 0.00 174.62 173.87 1tox s HIS 449 N 2.39 0.31 -0.04 4.92 -3.43 -0.51 -4.11 115.29 114.81 1tox s HIS 449 Ca 0.30 -0.85 -0.01 0.00 -0.80 0.00 0.00 55.06 53.69 1tox s HIS 449 Cb -0.16 0.60 0.03 0.00 -1.43 0.00 0.00 32.58 31.62 1tox s HIS 449 CO 0.09 -1.42 0.03 -1.50 -2.00 0.00 0.00 174.74 169.94 1tox s ILE 450 N -2.71 0.04 -0.25 -5.38 2.07 -0.86 -0.26 121.20 113.86 1tox s ILE 450 Ca 0.19 0.27 -0.09 0.00 -1.41 0.00 0.00 60.65 59.61 1tox s ILE 450 Cb -0.04 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1tox s ILE 450 CO 0.13 0.17 0.12 -0.44 -1.91 0.00 0.00 174.94 173.00 1tox s SER 451 N 1.69 5.58 -0.41 4.50 0.01 0.11 -0.77 113.70 124.41 1tox s SER 451 Ca -0.01 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.09 1tox s SER 451 Cb -0.13 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.17 1tox s SER 451 CO -0.03 -0.00 0.24 -0.69 0.41 0.00 0.00 173.24 173.17 1tox s VAL 452 N 1.44 4.12 -1.38 3.43 1.01 -0.78 0.29 120.40 128.53 1tox s VAL 452 Ca 0.06 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1tox s VAL 452 Cb -0.15 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1tox s VAL 452 CO 0.06 -0.48 0.17 0.59 0.00 0.00 0.00 175.10 175.44 1tox n ASN 453 N 4.89 -4.85 0.00 3.32 4.13 -0.16 -1.96 115.26 120.63 1tox n ASN 453 Ca -0.10 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1tox n ASN 453 Cb 0.43 -4.03 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 1tox n ASN 453 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tox n GLY 454 N -1.04 3.44 3.58 7.41 0.00 -1.26 -5.03 105.19 112.28 1tox n GLY 454 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1tox n GLY 454 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tox s ARG 455 N -0.87 3.21 -0.79 1.61 3.52 -0.83 -4.93 118.95 119.88 1tox s ARG 455 Ca 0.00 0.74 -0.26 0.00 -0.13 0.00 0.00 55.73 56.08 1tox s ARG 455 Cb 0.00 -4.18 0.02 0.00 -1.56 0.00 0.00 34.95 29.23 1tox s ARG 455 CO 0.00 -2.03 1.46 0.21 -0.81 0.00 0.00 175.30 174.13 1tox s LYS 456 N 5.76 3.13 -0.12 5.12 2.20 -1.26 -1.86 119.74 132.71 1tox s LYS 456 Ca 0.62 -0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.72 1tox s LYS 456 Cb -0.14 -4.52 -0.03 0.00 -1.51 0.00 0.00 37.83 31.63 1tox s LYS 456 CO 0.27 -2.34 0.67 0.42 -0.36 0.00 0.00 175.35 174.00 1tox s ILE 457 N 6.44 5.04 0.64 5.43 1.01 0.05 -4.94 121.20 134.87 1tox s ILE 457 Ca 0.45 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.32 1tox s ILE 457 Cb -0.07 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1tox s ILE 457 CO 0.10 0.19 1.04 -0.13 0.00 0.00 0.00 174.94 176.14 1tox s ARG 458 N 1.27 3.39 0.01 2.79 0.52 -1.26 -2.02 118.95 123.65 1tox s ARG 458 Ca 0.34 0.78 0.05 0.00 -0.52 0.00 0.00 55.73 56.37 1tox s ARG 458 Cb -0.17 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 1tox s ARG 458 CO 0.14 -0.73 -0.15 -1.64 0.02 0.00 0.00 175.30 172.94 1tox s MET 459 N -5.16 1.12 -0.46 3.54 -1.94 -1.26 -0.79 119.30 114.35 1tox s MET 459 Ca 0.56 -0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 53.73 1tox s MET 459 Cb -0.12 -1.11 0.04 0.00 2.01 0.00 0.00 34.83 35.66 1tox s MET 459 CO 0.54 0.29 0.47 -0.98 -0.01 0.00 0.00 175.02 175.34 1tox s ARG 460 N -0.67 3.07 -0.19 2.03 1.70 -0.19 -4.88 118.95 119.82 1tox s ARG 460 Ca 0.04 -0.95 -0.06 0.00 -0.47 0.00 0.00 55.73 54.30 1tox s ARG 460 Cb -0.07 -4.04 -0.03 0.00 -0.57 0.00 0.00 34.95 30.24 1tox s ARG 460 CO 0.00 -0.99 0.03 0.00 -1.08 0.00 0.00 175.30 173.27 1tox s ARG 462 N 0.64 0.62 0.33 0.00 1.81 0.32 -4.94 118.95 117.73 1tox s ARG 462 Ca 0.02 -0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.52 1tox s ARG 462 Cb -0.14 -0.61 -0.10 0.00 -0.45 0.00 0.00 34.95 33.66 1tox s ARG 462 CO 0.02 0.11 1.28 0.00 -0.68 0.00 0.00 175.30 176.03 1tox s ALA 463 N 0.04 3.47 0.17 2.13 0.00 -1.26 -0.75 121.76 125.56 1tox s ALA 463 Ca -0.00 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1tox s ALA 463 Cb -0.05 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1tox s ALA 463 CO -0.00 -0.60 0.05 0.44 0.00 0.00 0.00 175.76 175.65 1tox n ILE 464 N 0.79 0.00 -1.76 0.00 -5.35 -0.33 -4.89 119.36 107.82 1tox n ILE 464 Ca 0.00 -0.95 -0.42 0.00 -0.27 0.00 0.00 62.75 61.11 1tox n ILE 464 Cb 0.42 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.61 1tox n ILE 464 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1tox s ASP 465 N -2.02 6.49 0.00 7.28 2.15 -1.26 -4.07 116.67 125.24 1tox s ASP 465 Ca 0.07 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.67 1tox s ASP 465 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1tox s ASP 465 CO 0.05 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 1tox n GLY 466 N 4.31 1.04 3.16 2.66 0.00 -1.26 -4.53 105.19 110.58 1tox n GLY 466 Ca 0.18 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1tox n GLY 466 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tox n ASP 467 N 0.81 -4.69 -3.87 1.61 9.92 -1.26 -4.91 116.55 114.16 1tox n ASP 467 Ca 0.00 -0.46 -0.13 0.00 -0.53 0.00 0.00 54.79 53.68 1tox n ASP 467 Cb 0.25 -4.23 -0.14 0.00 -0.64 0.00 0.00 41.12 36.35 1tox n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1tox s VAL 468 N -3.27 0.03 -0.14 2.53 1.01 -1.26 -1.27 120.40 118.03 1tox s VAL 468 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1tox s VAL 468 Cb -0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1tox s VAL 468 CO 0.60 0.02 -0.09 -0.89 0.00 0.00 0.00 175.10 174.73 1tox s THR 469 N 0.08 3.43 -0.25 3.92 2.01 0.66 -1.18 115.64 124.31 1tox s THR 469 Ca -0.01 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1tox s THR 469 Cb -0.01 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1tox s THR 469 CO -0.00 0.51 0.11 0.12 -0.69 0.00 0.00 174.62 174.66 1tox s PHE 470 N 0.34 3.15 -0.09 4.92 5.36 0.07 -0.13 117.98 131.60 1tox s PHE 470 Ca -0.08 -0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1tox s PHE 470 Cb -0.15 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1tox s PHE 470 CO 0.04 -0.23 -0.04 0.00 -1.46 0.00 0.00 175.22 173.54 1tox s ARG 472 N -0.58 1.86 0.24 0.00 0.52 0.33 -1.12 118.95 120.20 1tox s ARG 472 Ca 0.09 -1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 1tox s ARG 472 Cb -0.12 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.26 1tox s ARG 472 CO 0.02 0.52 1.23 -1.25 0.02 0.00 0.00 175.30 175.85 1tox s PRO 473 N -1.15 4.46 0.54 3.54 0.04 -1.26 -1.02 135.00 140.15 1tox s PRO 473 Ca 0.12 1.98 0.20 0.00 0.04 0.00 0.00 61.00 63.34 1tox s PRO 473 Cb -0.10 -3.18 1.42 0.00 0.04 0.00 0.00 34.50 32.68 1tox s PRO 473 CO 0.02 -0.10 2.17 0.87 0.04 0.00 0.00 177.00 179.99 1tox h LYS 474 N 4.63 0.00 -5.06 4.56 6.56 -1.30 -3.43 116.57 122.53 1tox h LYS 474 Ca -0.46 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 58.79 1tox h LYS 474 Cb 1.22 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.73 1tox h LYS 474 CO 0.72 0.00 -0.69 -1.54 -2.06 0.00 0.00 179.45 175.88 1tox s SER 475 N -6.78 1.78 0.15 0.86 1.04 -1.26 -5.06 113.70 104.43 1tox s SER 475 Ca -0.05 -1.10 -0.34 0.00 0.48 0.00 0.00 55.95 54.94 1tox s SER 475 Cb 0.17 0.00 -0.15 0.00 0.10 0.00 0.00 66.02 66.14 1tox s SER 475 CO 0.64 -0.41 1.49 -2.65 0.98 0.00 0.00 173.24 173.29 1tox n PRO 476 N -0.28 1.87 -4.16 4.02 -0.02 -1.26 -4.99 135.00 130.17 1tox n PRO 476 Ca -0.08 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 1tox n PRO 476 Cb 0.62 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 1tox n PRO 476 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1tox s VAL 477 N 0.69 3.40 -0.00 -1.45 1.01 -1.26 -5.06 120.40 117.72 1tox s VAL 477 Ca 0.79 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1tox s VAL 477 Cb -0.75 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1tox s VAL 477 CO 0.41 0.45 -0.09 -0.31 0.00 0.00 0.00 175.10 175.57 1tox s TYR 478 N 1.06 0.82 0.19 5.22 1.51 -1.26 -0.91 117.35 123.99 1tox s TYR 478 Ca 0.01 -0.17 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 1tox s TYR 478 Cb -0.15 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 1tox s TYR 478 CO -0.00 -0.01 -0.07 0.14 -1.11 0.00 0.00 175.55 174.49 1tox s VAL 479 N -0.28 1.24 -2.90 0.71 -7.23 0.43 -4.79 120.40 107.58 1tox s VAL 479 Ca 0.03 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1tox s VAL 479 Cb -0.04 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1tox s VAL 479 CO -0.00 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 1tox n GLY 480 N -0.32 -0.75 3.63 2.32 0.00 -0.25 -0.27 105.19 109.55 1tox n GLY 480 Ca -0.08 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1tox n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tox s ASN 481 N -4.00 6.08 0.00 1.61 3.84 -0.56 -1.09 114.94 120.83 1tox s ASN 481 Ca 0.00 2.09 0.00 0.00 0.21 0.00 0.00 52.86 55.16 1tox s ASN 481 Cb 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1tox s ASN 481 CO 0.00 -1.43 0.00 0.61 -2.79 0.00 0.00 177.10 173.49 1tox n GLY 482 N 5.00 2.44 3.13 1.21 0.00 -1.26 -5.00 105.19 110.71 1tox n GLY 482 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1tox n GLY 482 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tox s VAL 483 N -2.44 2.00 0.19 1.61 1.01 -0.25 -5.00 120.40 117.53 1tox s VAL 483 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1tox s VAL 483 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1tox s VAL 483 CO 0.00 0.53 -0.04 -1.38 0.00 0.00 0.00 175.10 174.22 1tox s HIS 484 N 1.11 1.39 0.07 5.22 -3.43 -1.26 -1.09 115.29 117.30 1tox s HIS 484 Ca -0.00 -0.89 0.03 0.00 -0.80 0.00 0.00 55.06 53.41 1tox s HIS 484 Cb -0.14 -0.77 -0.03 0.00 -1.43 0.00 0.00 32.58 30.21 1tox s HIS 484 CO -0.08 -0.03 -0.10 0.00 -2.00 0.00 0.00 174.74 172.53 1tox s ALA 485 N -3.43 0.87 -0.24 -1.38 0.00 0.07 -0.99 121.76 116.66 1tox s ALA 485 Ca 0.24 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1tox s ALA 485 Cb 0.05 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.23 1tox s ALA 485 CO 0.05 0.01 -0.13 1.21 0.00 0.00 0.00 175.76 176.90 1tox s ASN 486 N -1.92 4.17 -0.33 0.00 2.47 0.15 -1.50 114.94 117.99 1tox s ASN 486 Ca -0.03 -1.24 -0.23 0.00 0.42 0.00 0.00 52.86 51.78 1tox s ASN 486 Cb -0.07 -1.54 0.00 0.00 -1.45 0.00 0.00 41.25 38.19 1tox s ASN 486 CO 0.00 -0.15 0.78 -0.22 -3.72 0.00 0.00 177.10 173.80 1tox s LEU 487 N 1.14 4.10 -0.38 3.21 2.96 0.23 -0.71 118.68 129.24 1tox s LEU 487 Ca -0.06 0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1tox s LEU 487 Cb -0.19 -3.05 0.07 0.00 0.50 0.00 0.00 46.19 43.52 1tox s LEU 487 CO -0.07 -0.66 0.17 -2.28 -1.32 0.00 0.00 176.35 172.19 1tox s HIS 488 N 3.01 3.34 -0.20 5.38 5.65 0.64 -0.16 115.29 132.96 1tox s HIS 488 Ca 0.32 -1.68 -0.16 0.00 0.25 0.00 0.00 55.06 53.78 1tox s HIS 488 Cb -0.14 -2.67 -0.04 0.00 -1.18 0.00 0.00 32.58 28.56 1tox s HIS 488 CO 0.14 -0.82 0.41 0.08 -0.65 0.00 0.00 174.74 173.90 1tox s VAL 489 N 1.35 5.19 -0.12 0.89 1.01 -0.25 -1.43 120.40 127.04 1tox s VAL 489 Ca 0.01 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1tox s VAL 489 Cb -0.21 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1tox s VAL 489 CO 0.01 0.25 -0.07 0.00 0.00 0.00 0.00 175.10 175.28 1tox s ALA 490 N 1.32 2.88 0.15 5.51 0.00 -1.26 -0.21 121.76 130.15 1tox s ALA 490 Ca 0.19 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.38 1tox s ALA 490 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1tox s ALA 490 CO 0.08 0.33 -0.13 -0.06 0.00 0.00 0.00 175.76 175.98 1tox s PHE 491 N 0.01 2.60 -0.07 0.00 0.08 -0.56 0.25 117.98 120.27 1tox s PHE 491 Ca -0.01 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.83 1tox s PHE 491 Cb -0.14 -1.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1tox s PHE 491 CO 0.03 0.46 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.87 1tox s HIS 492 N -1.44 1.76 -0.33 0.36 5.65 0.31 -2.37 115.29 119.23 1tox s HIS 492 Ca 0.22 -0.68 -0.11 0.00 0.25 0.00 0.00 55.06 54.74 1tox s HIS 492 Cb -0.10 -1.25 -0.01 0.00 -1.18 0.00 0.00 32.58 30.05 1tox s HIS 492 CO 0.13 -0.31 0.20 1.03 -0.65 0.00 0.00 174.74 175.13 1tox s ARG 493 N 0.57 3.35 0.22 2.88 0.52 0.72 -0.74 118.95 126.48 1tox s ARG 493 Ca -0.16 -0.72 0.26 0.00 -0.52 0.00 0.00 55.73 54.59 1tox s ARG 493 Cb -0.16 -3.69 0.75 0.00 0.52 0.00 0.00 34.95 32.37 1tox s ARG 493 CO 0.05 -0.46 1.74 0.77 0.02 0.00 0.00 175.30 177.43 1tox h SER 494 N 8.42 0.00 -5.27 0.23 0.02 -1.49 -2.80 113.55 112.66 1tox h SER 494 Ca -0.31 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 1tox h SER 494 Cb 1.15 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.57 1tox h SER 494 CO 0.63 0.00 -0.26 -0.94 -1.14 0.00 0.00 176.83 175.13 1tox s SER 495 N -4.65 -0.02 0.00 3.07 1.04 -1.26 -4.96 113.70 106.92 1tox s SER 495 Ca 0.10 -0.91 0.29 0.00 0.48 0.00 0.00 55.95 55.92 1tox s SER 495 Cb 0.12 0.49 1.48 0.00 0.10 0.00 0.00 66.02 68.21 1tox s SER 495 CO 0.61 -0.98 2.02 -1.20 0.98 0.00 0.00 173.24 174.67 1tox n SER 496 N -0.29 0.00 -4.73 7.02 7.64 -1.26 -3.86 113.62 118.14 1tox n SER 496 Ca -0.05 -0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.29 1tox n SER 496 Cb 0.63 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 1tox n SER 496 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1tox s GLU 497 N -2.57 4.29 0.35 1.43 2.12 -1.26 -3.64 118.70 119.42 1tox s GLU 497 Ca 0.28 2.22 -0.28 0.00 0.36 0.00 0.00 54.97 57.55 1tox s GLU 497 Cb 0.20 -3.17 -0.10 0.00 0.26 0.00 0.00 34.13 31.32 1tox s GLU 497 CO 0.45 -0.44 1.28 0.15 -0.54 0.00 0.00 175.26 176.16 1tox s LYS 498 N 0.38 4.25 0.28 4.30 1.02 -1.26 -3.97 119.74 124.75 1tox s LYS 498 Ca 0.63 2.14 -0.29 0.00 0.02 0.00 0.00 55.97 58.47 1tox s LYS 498 Cb -0.40 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1tox s LYS 498 CO 0.36 -0.25 1.18 0.42 -0.92 0.00 0.00 175.35 176.15 1tox s ILE 499 N -1.20 3.27 0.28 2.17 1.01 -1.26 -4.90 121.20 120.57 1tox s ILE 499 Ca 0.51 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.47 1tox s ILE 499 Cb -0.38 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1tox s ILE 499 CO 0.50 0.27 0.18 -1.00 0.00 0.00 0.00 174.94 174.89 1tox s HIS 500 N -0.93 2.96 -0.53 3.97 3.76 -1.26 -5.01 115.29 118.26 1tox s HIS 500 Ca 0.48 -0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.94 1tox s HIS 500 Cb -0.34 -1.47 -0.23 0.00 1.11 0.00 0.00 32.58 31.65 1tox s HIS 500 CO 0.44 0.45 1.82 0.45 -0.85 0.00 0.00 174.74 177.05 1tox n SER 501 N -1.17 2.00 0.00 1.40 2.88 -1.26 -0.80 113.62 116.67 1tox n SER 501 Ca -0.06 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 1tox n SER 501 Cb 0.59 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1tox n SER 501 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1tox n ASN 502 N 8.49 0.00 0.10 -3.46 6.94 -1.26 -5.04 115.26 121.03 1tox n ASN 502 Ca 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.99 1tox n ASN 502 Cb 0.41 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1tox n ASN 502 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1tox h GLU 503 N 0.00 -0.31 -6.84 -3.83 4.39 -1.36 -3.43 114.58 103.20 1tox h GLU 503 Ca 0.00 0.02 -0.52 0.00 0.34 0.00 0.00 59.36 59.20 1tox h GLU 503 Cb 0.00 0.07 0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1tox h GLU 503 CO 0.00 -0.21 0.60 0.42 -1.16 0.00 0.00 179.01 178.66 1tox s ILE 504 N -3.85 2.97 0.18 3.13 1.01 -1.26 -4.83 121.20 118.56 1tox s ILE 504 Ca -0.05 0.96 -0.15 0.00 0.00 0.00 0.00 60.65 61.40 1tox s ILE 504 Cb 0.01 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.99 1tox s ILE 504 CO 0.18 0.22 1.67 0.77 0.00 0.00 0.00 174.94 177.78 1tox h SER 505 N 3.72 -0.30 -3.56 3.58 4.64 -1.82 -3.46 113.55 116.34 1tox h SER 505 Ca -0.48 0.12 -0.25 0.00 -0.47 0.00 0.00 61.79 60.72 1tox h SER 505 Cb 1.22 0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.48 1tox h SER 505 CO 0.67 -0.10 -0.18 -1.54 -0.87 0.00 0.00 176.83 174.81 1tox n SER 506 N -5.27 -0.85 -1.09 4.97 3.41 -1.26 -5.07 113.62 108.46 1tox n SER 506 Ca 0.04 -2.44 0.03 0.00 -0.26 0.00 0.00 58.87 56.24 1tox n SER 506 Cb 0.25 1.66 0.25 0.00 -0.26 0.00 0.00 64.21 66.10 1tox n SER 506 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1tox n ASP 507 N -1.85 3.57 -3.87 4.04 5.75 -1.26 -4.96 116.55 117.97 1tox n ASP 507 Ca 0.02 -3.26 -0.09 0.00 -0.01 0.00 0.00 54.79 51.45 1tox n ASP 507 Cb 0.43 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.84 1tox n ASP 507 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1tox s SER 508 N -2.02 0.11 -0.12 -1.12 1.04 -1.26 -0.63 113.70 109.70 1tox s SER 508 Ca 0.44 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 1tox s SER 508 Cb 0.37 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1tox s SER 508 CO 0.07 -0.62 0.02 -0.63 0.98 0.00 0.00 173.24 173.07 1tox s ILE 509 N -3.11 4.50 -0.35 -1.02 1.01 0.98 -4.53 121.20 118.66 1tox s ILE 509 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 1tox s ILE 509 Cb 0.02 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.62 1tox s ILE 509 CO -0.07 0.56 0.11 -0.83 0.00 0.00 0.00 174.94 174.71 1tox s GLY 510 N -0.48 1.87 0.01 6.18 0.00 -0.86 -0.94 107.32 113.10 1tox s GLY 510 Ca 0.09 -2.05 -0.24 0.00 0.00 0.00 0.00 44.72 42.52 1tox s GLY 510 CO 0.02 0.84 0.73 0.14 0.00 0.00 0.00 173.10 174.84 1tox s VAL 511 N 1.26 4.84 -0.19 1.40 1.01 0.23 -0.46 120.40 128.49 1tox s VAL 511 Ca 0.01 1.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 1tox s VAL 511 Cb -0.21 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1tox s VAL 511 CO -0.01 0.34 0.03 -0.76 0.00 0.00 0.00 175.10 174.69 1tox s LEU 512 N 0.18 3.51 0.00 3.92 1.02 -0.49 -0.36 118.68 126.46 1tox s LEU 512 Ca 0.38 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.45 1tox s LEU 512 Cb -0.19 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.13 1tox s LEU 512 CO 0.21 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1tox n GLY 513 N 3.92 1.76 3.68 -3.19 0.00 0.19 -0.68 105.19 110.88 1tox n GLY 513 Ca -0.17 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1tox n GLY 513 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tox s TYR 514 N 3.93 1.87 -0.17 1.61 -0.85 -1.20 -3.91 117.35 118.63 1tox s TYR 514 Ca 0.00 1.60 -0.08 0.00 -0.52 0.00 0.00 57.07 58.08 1tox s TYR 514 Cb 0.00 -3.23 -0.04 0.00 0.38 0.00 0.00 41.96 39.07 1tox s TYR 514 CO 0.00 -2.68 0.08 -1.14 -1.52 0.00 0.00 175.55 170.29 1tox s GLN 515 N -4.71 3.90 -0.17 -3.49 0.74 -1.26 -1.18 119.66 113.49 1tox s GLN 515 Ca 0.65 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.78 1tox s GLN 515 Cb -0.21 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.69 1tox s GLN 515 CO 0.58 0.36 -0.20 -1.59 -0.55 0.00 0.00 175.29 173.89 1tox s LYS 516 N 0.13 3.00 -1.47 1.67 -2.85 -0.01 -4.97 119.74 115.24 1tox s LYS 516 Ca 0.06 -0.84 -0.10 0.00 -1.00 0.00 0.00 55.97 54.10 1tox s LYS 516 Cb -0.12 -2.54 0.03 0.00 -2.06 0.00 0.00 37.83 33.14 1tox s LYS 516 CO 0.00 -0.16 2.50 2.41 0.10 0.00 0.00 175.35 180.20 1tox n THR 517 N 4.47 4.33 -2.72 3.79 -1.04 -1.26 -1.52 114.28 120.33 1tox n THR 517 Ca -0.21 -3.35 -0.21 0.00 -2.04 0.00 0.00 64.05 58.24 1tox n THR 517 Cb 0.50 -2.46 0.07 0.00 -1.82 0.00 0.00 70.33 66.63 1tox n THR 517 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tox s VAL 518 N 1.40 2.39 -0.16 12.58 0.11 -1.25 -4.40 120.40 131.06 1tox s VAL 518 Ca 0.56 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1tox s VAL 518 Cb 0.16 -2.66 0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1tox s VAL 518 CO -0.07 0.00 0.05 -0.67 -3.33 0.00 0.00 175.10 171.09 1tox n ASP 519 N -2.48 -1.07 0.00 3.54 2.03 -1.26 0.60 116.55 117.91 1tox n ASP 519 Ca 0.12 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1tox n ASP 519 Cb 0.60 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1tox n ASP 519 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tox n HIS 520 N -2.63 0.00 -3.85 -0.67 1.44 -1.26 -4.86 115.22 103.39 1tox n HIS 520 Ca 0.01 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.42 1tox n HIS 520 Cb 0.50 -1.36 -0.16 0.00 0.12 0.00 0.00 29.99 29.09 1tox n HIS 520 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1tox s THR 521 N -0.58 1.20 0.24 0.61 2.01 0.20 -5.11 115.64 114.20 1tox s THR 521 Ca 0.00 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.52 1tox s THR 521 Cb 0.00 -1.65 -0.10 0.00 0.01 0.00 0.00 72.50 70.76 1tox s THR 521 CO 0.00 -0.29 1.49 -1.59 -0.69 0.00 0.00 174.62 173.55 1tox s LYS 522 N 1.52 4.23 0.08 4.92 -2.85 -1.25 -3.89 119.74 122.50 1tox s LYS 522 Ca -0.00 2.37 -0.09 0.00 -1.00 0.00 0.00 55.97 57.25 1tox s LYS 522 Cb -0.18 -3.10 -0.00 0.00 -2.06 0.00 0.00 37.83 32.49 1tox s LYS 522 CO -0.11 -0.50 0.19 0.54 0.10 0.00 0.00 175.35 175.58 1tox s VAL 523 N 0.20 0.14 0.31 1.79 0.11 -0.58 -4.97 120.40 117.41 1tox s VAL 523 Ca 0.62 -1.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1tox s VAL 523 Cb -0.43 -1.30 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1tox s VAL 523 CO 0.42 -0.64 0.48 0.20 -3.33 0.00 0.00 175.10 172.23 1tox s ASN 524 N -2.79 6.23 0.12 3.54 0.01 -1.26 -0.83 114.94 119.95 1tox s ASN 524 Ca 0.04 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 52.11 1tox s ASN 524 Cb 0.04 -1.84 -0.07 0.00 0.41 0.00 0.00 41.25 39.80 1tox s ASN 524 CO -0.10 -0.26 1.24 -0.55 -1.51 0.00 0.00 177.10 175.92 1tox s SER 525 N -4.05 7.02 -0.13 -1.22 0.15 -0.32 -4.88 113.70 110.27 1tox s SER 525 Ca 0.39 2.16 -0.01 0.00 0.70 0.00 0.00 55.95 59.20 1tox s SER 525 Cb -0.09 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1tox s SER 525 CO 0.33 -0.48 -0.11 -0.75 1.20 0.00 0.00 173.24 173.43 1tox s LYS 526 N 0.61 3.40 -0.25 5.44 2.20 -1.26 -0.64 119.74 129.24 1tox s LYS 526 Ca 0.58 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1tox s LYS 526 Cb -0.32 -2.67 0.06 0.00 -1.51 0.00 0.00 37.83 33.38 1tox s LYS 526 CO 0.32 0.24 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.96 1tox s LEU 527 N 0.28 3.03 -0.08 5.43 1.43 0.51 -4.98 118.68 124.30 1tox s LEU 527 Ca -0.08 -1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 51.67 1tox s LEU 527 Cb -0.15 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1tox s LEU 527 CO 0.05 -0.21 0.14 -0.44 0.23 0.00 0.00 176.35 176.11 1tox s SER 528 N 1.24 6.25 -0.19 2.29 0.01 -1.26 -0.60 113.70 121.44 1tox s SER 528 Ca -0.07 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.59 1tox s SER 528 Cb -0.19 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.09 1tox s SER 528 CO -0.06 0.36 -0.14 -0.76 0.41 0.00 0.00 173.24 173.05 1tox s LEU 529 N -1.29 2.26 -0.03 2.44 2.01 -0.12 -4.42 118.68 119.53 1tox s LEU 529 Ca 0.18 -0.79 -0.20 0.00 0.01 0.00 0.00 54.13 53.34 1tox s LEU 529 Cb -0.12 -1.34 -0.05 0.00 0.01 0.00 0.00 46.19 44.69 1tox s LEU 529 CO 0.08 -0.08 0.56 -0.36 1.01 0.00 0.00 176.35 177.56 1tox s PHE 530 N 1.34 3.65 0.39 0.29 0.40 0.82 -0.02 117.98 124.85 1tox s PHE 530 Ca 0.01 1.12 0.07 0.00 -0.60 0.00 0.00 56.93 57.53 1tox s PHE 530 Cb -0.15 -2.58 -0.08 0.00 0.51 0.00 0.00 43.02 40.72 1tox s PHE 530 CO -0.10 0.32 0.01 -0.59 0.70 0.00 0.00 175.22 175.56 1tox s PHE 531 N -0.04 2.44 -0.02 0.36 -0.12 0.20 -4.44 117.98 116.37 1tox s PHE 531 Ca 0.30 -0.70 0.04 0.00 -0.05 0.00 0.00 56.93 56.52 1tox s PHE 531 Cb -0.17 -1.69 -0.01 0.00 -0.63 0.00 0.00 43.02 40.52 1tox s PHE 531 CO 0.15 0.40 -0.13 -1.21 -0.05 0.00 0.00 175.22 174.39 1tox s GLU 532 N -3.73 1.12 -0.06 1.99 2.02 -0.87 -4.81 118.70 114.36 1tox s GLU 532 Ca 0.35 -0.46 -0.18 0.00 0.02 0.00 0.00 54.97 54.71 1tox s GLU 532 Cb 0.09 -1.06 -0.05 0.00 0.10 0.00 0.00 34.13 33.21 1tox s GLU 532 CO 0.18 0.25 0.48 0.42 0.02 0.00 0.00 175.26 176.60 1tox s ILE 533 N -0.18 5.08 0.22 -1.63 -1.09 -1.26 -0.57 121.20 121.77 1tox s ILE 533 Ca 0.03 0.97 -0.04 0.00 -2.23 0.00 0.00 60.65 59.38 1tox s ILE 533 Cb -0.06 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1tox s ILE 533 CO -0.00 0.42 0.23 -0.54 -1.23 0.00 0.00 174.94 173.82 1tox s LYS 534 N -0.07 1.33 0.00 2.79 1.02 -0.68 -4.95 119.74 119.18 1tox s LYS 534 Ca 0.26 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1tox s LYS 534 Cb -0.16 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1tox s LYS 534 CO 0.12 -0.47 0.00 0.43 -0.92 0.00 0.00 175.35 174.51