#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 0.00 4.61 0.00 -1.97 -1.17 119.26 121.74 1tox h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tox h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tox h ALA 2 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 1tox n ASP 3 N -3.00 0.22 0.08 0.00 5.75 -1.26 -1.90 116.55 116.43 1tox n ASP 3 Ca -0.02 0.55 0.12 0.00 -0.01 0.00 0.00 54.79 55.43 1tox n ASP 3 Cb 0.13 -0.59 0.12 0.00 -1.03 0.00 0.00 41.12 39.74 1tox n ASP 3 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1tox h ASP 4 N 0.00 0.00 0.00 -1.12 3.32 -1.58 -3.38 116.42 113.65 1tox h ASP 4 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1tox h ASP 4 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1tox h ASP 4 CO 0.00 0.07 -0.18 1.33 -1.72 0.00 0.00 179.24 178.74 1tox n VAL 5 N -2.32 0.00 -5.20 -1.35 0.24 -1.16 -4.76 118.33 103.77 1tox n VAL 5 Ca 0.02 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.34 61.70 1tox n VAL 5 Cb 0.48 0.86 -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 -0.97 2.18 -0.47 3.34 1.01 -0.80 -0.88 120.40 123.81 1tox s VAL 6 Ca 0.00 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1tox s VAL 6 Cb 0.00 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.67 1tox s VAL 6 CO 0.00 0.57 0.36 -0.62 0.00 0.00 0.00 175.10 175.41 1tox s ASP 7 N -0.05 5.88 0.46 3.32 -1.08 -0.20 -4.70 116.67 120.31 1tox s ASP 7 Ca -0.07 -1.64 0.18 0.00 -0.52 0.00 0.00 52.55 50.50 1tox s ASP 7 Cb -0.15 -2.08 1.10 0.00 -1.46 0.00 0.00 42.92 40.33 1tox s ASP 7 CO 0.05 -0.67 2.00 0.28 0.52 0.00 0.00 175.17 177.35 1tox h SER 8 N 8.60 0.00 1.17 -0.34 0.02 -1.90 -2.68 113.55 118.40 1tox h SER 8 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1tox h SER 8 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1tox h SER 8 CO 0.87 0.18 0.00 0.77 -1.14 0.00 0.00 176.83 177.51 1tox h SER 9 N 0.00 0.00 -0.09 3.07 4.64 -1.98 -2.82 113.55 116.37 1tox h SER 9 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tox h SER 9 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1tox h SER 9 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1tox n LYS 10 N -2.64 1.11 -4.10 4.77 5.02 -1.04 -4.94 118.16 116.33 1tox n LYS 10 Ca 0.03 -1.39 -0.35 0.00 -2.02 0.00 0.00 58.31 54.58 1tox n LYS 10 Cb 0.34 -1.24 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.00 5.56 0.23 4.39 0.01 -1.05 -4.33 113.70 117.50 1tox s SER 11 Ca 0.16 0.12 -0.17 0.00 1.31 0.00 0.00 55.95 57.37 1tox s SER 11 Cb 0.11 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.49 1tox s SER 11 CO 0.15 0.24 0.55 0.72 0.41 0.00 0.00 173.24 175.31 1tox s PHE 12 N -0.04 0.03 -0.02 2.43 -0.71 -1.01 -4.90 117.98 113.77 1tox s PHE 12 Ca 0.06 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 55.55 1tox s PHE 12 Cb -0.12 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1tox s PHE 12 CO 0.01 -1.01 -0.03 0.08 -1.34 0.00 0.00 175.22 172.93 1tox s VAL 13 N -3.93 3.94 0.01 -2.49 1.01 -1.26 -1.03 120.40 116.65 1tox s VAL 13 Ca 0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1tox s VAL 13 Cb -0.02 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1tox s VAL 13 CO 0.03 0.46 0.17 -0.32 0.00 0.00 0.00 175.10 175.44 1tox s MET 14 N -1.28 0.56 -0.12 2.72 0.00 -0.22 -4.95 119.30 116.01 1tox s MET 14 Ca 0.17 -0.46 -0.06 0.00 0.00 0.00 0.00 55.69 55.33 1tox s MET 14 Cb -0.11 0.24 -0.04 0.00 0.00 0.00 0.00 34.83 34.91 1tox s MET 14 CO 0.07 -0.15 0.11 -1.21 0.00 0.00 0.00 175.02 173.84 1tox s GLU 15 N -1.76 3.43 -1.39 4.11 2.02 -1.26 -0.59 118.70 123.26 1tox s GLU 15 Ca -0.12 -0.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 1tox s GLU 15 Cb -0.05 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 31.08 1tox s GLU 15 CO 0.00 0.70 0.82 0.09 0.02 0.00 0.00 175.26 176.89 1tox n ASN 16 N 2.21 -2.61 -4.66 -0.19 3.02 -0.67 -4.87 115.26 107.49 1tox n ASN 16 Ca -0.19 -0.80 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1tox n ASN 16 Cb 0.54 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.53 1.98 0.21 3.10 5.36 -1.20 -4.78 117.98 119.11 1tox s PHE 17 Ca 0.26 0.20 0.10 0.00 -0.96 0.00 0.00 56.93 56.53 1tox s PHE 17 Cb -0.13 -3.92 -0.04 0.00 -0.34 0.00 0.00 43.02 38.59 1tox s PHE 17 CO 0.82 -3.83 -0.13 -1.54 -1.46 0.00 0.00 175.22 169.08 1tox s SER 18 N 3.39 4.00 0.24 6.13 1.04 -1.26 -1.57 113.70 125.66 1tox s SER 18 Ca 0.73 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 1tox s SER 18 Cb -0.33 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 1tox s SER 18 CO 0.29 0.09 0.44 -0.94 0.98 0.00 0.00 173.24 174.10 1tox s SER 19 N -2.98 -0.07 0.23 7.02 1.04 -0.59 -4.94 113.70 113.41 1tox s SER 19 Ca 0.25 -0.95 0.09 0.00 0.48 0.00 0.00 55.95 55.82 1tox s SER 19 Cb -0.08 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1tox s SER 19 CO 0.14 -1.10 -0.04 -0.31 0.98 0.00 0.00 173.24 172.92 1tox s TYR 20 N -4.02 2.68 -0.08 5.02 2.02 -0.58 -0.64 117.35 121.75 1tox s TYR 20 Ca 0.23 -0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.68 1tox s TYR 20 Cb 0.00 -1.24 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1tox s TYR 20 CO 0.08 0.58 0.17 -1.58 -1.57 0.00 0.00 175.55 173.23 1tox s HIS 21 N -2.06 -0.21 -0.21 2.71 5.65 0.10 -1.45 115.29 119.82 1tox s HIS 21 Ca 0.29 0.59 -0.16 0.00 0.25 0.00 0.00 55.06 56.03 1tox s HIS 21 Cb -0.07 -0.10 -0.04 0.00 -1.18 0.00 0.00 32.58 31.19 1tox s HIS 21 CO 0.18 -0.21 0.42 0.20 -0.65 0.00 0.00 174.74 174.68 1tox s GLY 22 N 1.52 2.06 0.22 1.59 0.00 -1.21 -0.76 107.32 110.73 1tox s GLY 22 Ca -0.06 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.21 1tox s GLY 22 CO -0.06 0.88 0.01 -1.08 0.00 0.00 0.00 173.10 172.85 1tox s THR 23 N 1.46 3.64 0.80 0.90 -1.32 0.44 -4.49 115.64 117.07 1tox s THR 23 Ca 0.20 -1.64 -0.12 0.00 -1.21 0.00 0.00 61.69 58.92 1tox s THR 23 Cb -0.15 -2.89 0.07 0.00 -1.51 0.00 0.00 72.50 68.02 1tox s THR 23 CO 0.08 -0.24 1.12 -0.54 -2.21 0.00 0.00 174.62 172.83 1tox s LYS 24 N -3.31 2.04 0.26 7.08 -0.14 -1.26 -1.62 119.74 122.78 1tox s LYS 24 Ca 0.29 0.44 -0.31 0.00 -1.36 0.00 0.00 55.97 55.03 1tox s LYS 24 Cb -0.08 -1.93 -0.11 0.00 -1.68 0.00 0.00 37.83 34.03 1tox s LYS 24 CO 0.19 -1.60 1.59 -2.14 -0.76 0.00 0.00 175.35 172.63 1tox s PRO 25 N -5.30 4.16 0.00 -1.68 0.02 -1.25 -2.59 135.00 128.36 1tox s PRO 25 Ca 0.61 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1tox s PRO 25 Cb -0.13 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1tox s PRO 25 CO 0.53 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 1tox n GLY 26 N 2.67 3.08 1.04 0.52 0.00 -1.26 -4.89 105.19 106.36 1tox n GLY 26 Ca 0.10 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.60 -0.14 1.61 4.01 -1.07 -4.49 117.16 117.67 1tox n TYR 27 Ca 0.00 -0.30 -0.06 0.00 -0.16 0.00 0.00 57.90 57.38 1tox n TYR 27 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 1tox n TYR 27 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tox h VAL 28 N 3.68 1.25 0.06 -0.72 2.07 -1.90 -0.51 116.25 120.17 1tox h VAL 28 Ca 0.00 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 1tox h VAL 28 Cb 0.82 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1tox h VAL 28 CO 0.00 0.37 -0.60 0.44 0.02 0.00 0.00 177.57 177.80 1tox h ASP 29 N 0.82 0.21 0.27 0.57 3.32 -1.95 -3.31 116.42 116.35 1tox h ASP 29 Ca 0.16 -0.91 -0.05 0.00 0.02 0.00 0.00 57.03 56.24 1tox h ASP 29 Cb 0.47 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1tox h ASP 29 CO 0.02 1.27 -0.26 0.77 -1.72 0.00 0.00 179.24 179.32 1tox h SER 30 N -0.70 0.00 0.60 6.45 4.64 -1.80 -2.22 113.55 120.51 1tox h SER 30 Ca -0.13 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 1tox h SER 30 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1tox h SER 30 CO 0.03 0.26 -0.33 -0.29 -0.87 0.00 0.00 176.83 175.63 1tox h ILE 31 N 0.00 0.96 0.00 0.95 2.10 -1.22 -1.19 117.51 119.11 1tox h ILE 31 Ca -0.00 -1.28 0.00 0.00 1.08 0.00 0.00 64.86 64.66 1tox h ILE 31 Cb 0.47 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 1tox h ILE 31 CO 0.03 0.33 0.00 0.00 -1.08 0.00 0.00 178.15 177.43 1tox n GLN 32 N -3.74 0.13 0.02 2.19 6.02 -0.84 -2.33 117.38 118.84 1tox n GLN 32 Ca -0.01 0.14 -0.06 0.00 -0.01 0.00 0.00 57.00 57.06 1tox n GLN 32 Cb 0.43 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.27 -3.43 116.57 112.35 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 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1tox h LYS 33 CO 0.00 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 1tox n GLY 34 N 1.45 3.03 3.41 3.86 0.00 -0.98 -5.04 105.19 110.91 1tox n GLY 34 Ca -0.10 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.93 4.81 0.13 -0.61 -1.09 -1.26 -4.75 121.20 116.50 1tox s ILE 35 Ca 0.00 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.74 1tox s ILE 35 Cb 0.00 -4.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1tox s ILE 35 CO 0.00 -1.02 -0.19 -1.10 -1.23 0.00 0.00 174.94 171.40 1tox s GLN 36 N 2.74 1.16 0.00 2.79 -1.52 -1.26 -4.07 119.66 119.50 1tox s GLN 36 Ca 0.14 -1.26 0.00 0.00 -1.95 0.00 0.00 55.36 52.29 1tox s GLN 36 Cb -0.22 -1.29 0.00 0.00 -0.22 0.00 0.00 33.01 31.29 1tox s GLN 36 CO 0.09 0.28 0.00 1.17 -0.25 0.00 0.00 175.29 176.58 1tox n LYS 37 N 0.72 -0.82 0.00 2.91 4.81 -1.26 -5.14 118.16 119.39 1tox n LYS 37 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1tox n LYS 37 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1tox n LYS 37 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1tox n ASP 48 N -2.85 2.61 -0.31 3.14 -0.08 -1.26 -5.67 116.55 112.13 1tox n ASP 48 Ca 0.00 -0.08 0.06 0.00 -1.51 0.00 0.00 54.79 53.26 1tox n ASP 48 Cb 0.00 0.68 0.22 0.00 2.34 0.00 0.00 41.12 44.36 1tox n ASP 48 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1tox h ASP 49 N 0.00 0.68 -0.54 1.67 3.32 -1.95 -2.67 116.42 116.93 1tox h ASP 49 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1tox h ASP 49 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1tox h ASP 49 CO 0.00 0.33 0.00 0.79 -1.72 0.00 0.00 179.24 178.64 1tox n TRP 50 N -4.77 1.39 -2.37 4.55 7.02 -1.26 0.13 117.44 122.14 1tox n TRP 50 Ca 0.17 -0.67 -0.42 0.00 -1.02 0.00 0.00 57.50 55.56 1tox n TRP 50 Cb 0.38 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.10 4.31 -0.03 -0.99 1.02 -1.01 -4.91 119.74 116.03 1tox s LYS 51 Ca 0.47 1.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.96 1tox s LYS 51 Cb 0.33 -3.61 0.09 0.00 -0.52 0.00 0.00 37.83 34.12 1tox s LYS 51 CO 0.19 -0.54 1.29 0.20 -0.92 0.00 0.00 175.35 175.58 1tox s GLY 52 N 1.75 -0.13 -0.02 -3.33 0.00 -1.26 -4.62 107.32 99.71 1tox s GLY 52 Ca 0.59 0.03 -0.19 0.00 0.00 0.00 0.00 44.72 45.15 1tox s GLY 52 CO 0.22 5.91 0.53 -0.12 0.00 0.00 0.00 173.10 179.64 1tox s PHE 53 N -2.02 3.67 -0.15 1.90 5.36 0.39 -4.87 117.98 122.25 1tox s PHE 53 Ca 0.30 1.10 -0.06 0.00 -0.96 0.00 0.00 56.93 57.31 1tox s PHE 53 Cb -0.01 -2.52 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 1tox s PHE 53 CO -0.01 0.39 0.03 0.71 -1.46 0.00 0.00 175.22 174.88 1tox s TYR 54 N -0.27 3.20 0.19 10.12 1.51 -1.26 -0.68 117.35 130.16 1tox s TYR 54 Ca 0.28 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1tox s TYR 54 Cb -0.17 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1tox s TYR 54 CO 0.15 0.20 0.16 -1.54 -1.11 0.00 0.00 175.55 173.41 1tox s SER 55 N 0.06 0.15 0.07 2.29 1.04 -0.98 -4.76 113.70 111.57 1tox s SER 55 Ca 0.04 -1.28 -0.04 0.00 0.48 0.00 0.00 55.95 55.16 1tox s SER 55 Cb -0.13 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1tox s SER 55 CO 0.01 -0.85 0.05 0.28 0.98 0.00 0.00 173.24 173.71 1tox s THR 56 N -4.11 0.18 -1.07 2.02 -1.32 -0.53 -0.31 115.64 110.50 1tox s THR 56 Ca 0.33 -1.62 0.27 0.00 -1.21 0.00 0.00 61.69 59.46 1tox s THR 56 Cb 0.06 -1.52 0.26 0.00 -1.51 0.00 0.00 72.50 69.79 1tox s THR 56 CO 0.09 -0.83 1.87 -0.90 -2.21 0.00 0.00 174.62 172.64 1tox n ASP 57 N 0.03 0.00 -4.33 8.08 5.75 -1.22 -1.52 116.55 123.34 1tox n ASP 57 Ca -0.13 0.40 -0.36 0.00 -0.01 0.00 0.00 54.79 54.69 1tox n ASP 57 Cb 0.62 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.93 4.75 0.45 -1.12 3.84 -1.26 -4.90 114.94 113.77 1tox s ASN 58 Ca 0.15 -0.56 0.22 0.00 0.21 0.00 0.00 52.86 52.88 1tox s ASN 58 Cb 0.18 -1.81 1.07 0.00 -0.55 0.00 0.00 41.25 40.13 1tox s ASN 58 CO 0.47 -0.11 1.92 0.07 -2.79 0.00 0.00 177.10 176.67 1tox h LYS 59 N 8.16 0.00 0.00 0.43 2.10 -1.95 -1.00 116.57 124.31 1tox h LYS 59 Ca -0.36 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.12 1tox h LYS 59 Cb 1.14 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.45 1tox h LYS 59 CO 0.59 0.23 -0.85 1.88 -2.00 0.00 0.00 179.45 179.31 1tox h TYR 60 N 0.00 0.00 0.01 0.07 0.05 -1.93 0.59 116.97 115.76 1tox h TYR 60 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1tox h TYR 60 Cb 0.57 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 1tox h TYR 60 CO 0.00 0.85 -0.89 -0.44 -1.05 0.00 0.00 178.16 176.62 1tox h ASP 61 N 0.00 0.27 -0.03 3.88 3.32 -1.89 -2.91 116.42 119.06 1tox h ASP 61 Ca -0.01 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 1tox h ASP 61 Cb 1.63 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 1tox h ASP 61 CO 0.11 1.03 -0.39 0.00 -1.72 0.00 0.00 179.24 178.28 1tox h ALA 62 N 0.95 0.89 -0.82 3.45 0.00 -1.06 -2.99 119.26 119.67 1tox h ALA 62 Ca -0.05 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1tox h ALA 62 Cb 1.53 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1tox h ALA 62 CO 0.14 0.63 0.54 0.00 0.00 0.00 0.00 179.25 180.56 1tox h ALA 63 N 1.13 1.57 0.00 0.00 0.00 -0.68 -2.32 119.26 118.96 1tox h ALA 63 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1tox h ALA 63 Cb 0.87 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tox h ALA 63 CO 0.07 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1tox n GLY 64 N -1.42 -0.42 0.67 0.00 0.00 -1.13 -1.80 105.19 101.10 1tox n GLY 64 Ca 0.12 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1tox n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tox n TYR 65 N -0.85 0.30 1.14 1.61 4.01 -0.88 -4.61 117.16 117.89 1tox n TYR 65 Ca 0.07 -0.26 0.10 0.00 -0.16 0.00 0.00 57.90 57.65 1tox n TYR 65 Cb 0.03 -0.01 0.34 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.76 1.78 -4.74 7.72 3.41 -0.74 -4.47 113.62 117.33 1tox n SER 66 Ca 0.11 -1.75 -0.41 0.00 -0.26 0.00 0.00 58.87 56.56 1tox n SER 66 Cb 0.41 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.75 4.24 -0.35 -3.33 1.01 -1.26 0.34 120.40 119.30 1tox s VAL 67 Ca 0.32 2.04 -0.37 0.00 0.00 0.00 0.00 61.98 63.96 1tox s VAL 67 Cb 0.17 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 1tox s VAL 67 CO 0.25 0.40 2.10 -0.67 0.00 0.00 0.00 175.10 177.19 1tox n ASP 68 N 2.13 1.99 0.00 3.32 2.03 0.18 -4.76 116.55 121.44 1tox n ASP 68 Ca 0.00 0.57 0.08 0.00 0.52 0.00 0.00 54.79 55.97 1tox n ASP 68 Cb 0.48 -1.19 0.40 0.00 -0.72 0.00 0.00 41.12 40.09 1tox n ASP 68 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1tox n ASN 69 N 8.69 0.00 0.14 1.67 6.94 -1.26 -0.78 115.26 130.66 1tox n ASN 69 Ca 0.41 0.08 0.06 0.00 -0.02 0.00 0.00 54.58 55.10 1tox n ASN 69 Cb 0.17 -0.30 0.05 0.00 -2.36 0.00 0.00 39.78 37.34 1tox n ASN 69 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1tox h GLU 70 N 0.00 0.00 -2.15 -3.83 3.07 -1.99 -3.37 114.58 106.31 1tox h GLU 70 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 1tox h GLU 70 Cb 0.16 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 27.68 1tox h GLU 70 CO 0.00 0.26 -1.04 0.09 -1.40 0.00 0.00 179.01 176.92 1tox n ASN 71 N -3.07 0.07 0.22 1.42 3.02 0.04 -5.00 115.26 111.95 1tox n ASN 71 Ca 0.01 -2.60 0.06 0.00 -0.03 0.00 0.00 54.58 52.01 1tox n ASN 71 Cb 0.67 -0.61 0.48 0.00 -0.61 0.00 0.00 39.78 39.71 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 4.60 0.00 0.14 3.52 0.13 -1.62 0.99 132.00 139.77 1tox h PRO 72 Ca 0.15 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.96 1tox h PRO 72 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1tox h PRO 72 CO 0.44 0.25 -1.65 -0.07 -0.23 0.00 0.00 178.00 176.75 1tox h LEU 73 N 0.00 0.46 -0.24 1.56 3.38 -1.93 -3.44 115.31 115.10 1tox h LEU 73 Ca -0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1tox h LEU 73 Cb 0.47 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1tox h LEU 73 CO 0.03 1.73 0.00 -1.54 0.09 0.00 0.00 178.44 178.75 1tox n SER 74 N -3.74 0.24 -3.51 -0.43 3.41 -1.22 -5.05 113.62 103.31 1tox n SER 74 Ca -0.27 -0.57 -0.30 0.00 -0.26 0.00 0.00 58.87 57.47 1tox n SER 74 Cb 0.98 0.51 0.28 0.00 -0.26 0.00 0.00 64.21 65.72 1tox n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1tox s GLY 75 N -0.51 1.45 0.67 5.00 0.00 0.34 -4.78 107.32 109.50 1tox s GLY 75 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 1tox s GLY 75 CO 0.00 0.15 1.06 0.54 0.00 0.00 0.00 173.10 174.86 1tox s LYS 76 N -5.13 2.95 -0.20 2.90 1.02 -1.26 -4.63 119.74 115.39 1tox s LYS 76 Ca 0.69 1.07 -0.03 0.00 0.02 0.00 0.00 55.97 57.72 1tox s LYS 76 Cb -0.13 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1tox s LYS 76 CO 0.58 -1.09 -0.06 0.00 -0.92 0.00 0.00 175.35 173.86 1tox s ALA 77 N -2.83 2.80 0.00 5.17 0.00 -1.26 0.51 121.76 126.15 1tox s ALA 77 Ca 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1tox s ALA 77 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1tox s ALA 77 CO 0.49 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1tox n GLY 78 N 4.51 -0.45 0.00 0.00 0.00 0.15 -3.45 105.19 105.95 1tox n GLY 78 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.44 1.15 3.08 -0.02 0.00 -0.64 0.37 105.19 110.57 1tox n GLY 79 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.47 1.05 0.10 1.61 1.01 -0.27 -0.42 120.40 121.01 1tox s VAL 80 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1tox s VAL 80 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1tox s VAL 80 CO 0.00 0.31 -0.15 0.68 0.00 0.00 0.00 175.10 175.94 1tox s VAL 81 N -0.08 1.27 -0.23 2.92 -7.23 0.06 -0.30 120.40 116.82 1tox s VAL 81 Ca 0.01 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1tox s VAL 81 Cb -0.08 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1tox s VAL 81 CO 0.00 -0.32 0.07 -0.75 -0.31 0.00 0.00 175.10 173.79 1tox s LYS 82 N -2.27 3.75 -0.21 4.82 2.20 0.12 -0.73 119.74 127.42 1tox s LYS 82 Ca 0.05 -0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1tox s LYS 82 Cb -0.07 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1tox s LYS 82 CO 0.03 -0.05 0.01 0.14 -0.36 0.00 0.00 175.35 175.11 1tox s VAL 83 N 1.26 3.96 -0.12 4.02 -7.23 0.18 -0.31 120.40 122.17 1tox s VAL 83 Ca 0.05 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.94 1tox s VAL 83 Cb -0.15 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 1tox s VAL 83 CO 0.04 0.42 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.14 1tox s THR 84 N 1.12 2.28 -0.23 5.32 2.01 0.93 -1.54 115.64 125.52 1tox s THR 84 Ca 0.03 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 1tox s THR 84 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1tox s THR 84 CO 0.02 0.55 0.48 -0.31 -0.69 0.00 0.00 174.62 174.66 1tox s TYR 85 N 0.45 3.32 0.72 4.92 2.02 -0.61 -0.54 117.35 127.62 1tox s TYR 85 Ca -0.15 0.65 -0.13 0.00 -0.37 0.00 0.00 57.07 57.07 1tox s TYR 85 Cb -0.17 -2.65 0.03 0.00 -0.40 0.00 0.00 41.96 38.77 1tox s TYR 85 CO 0.06 -0.17 1.10 -1.25 -1.57 0.00 0.00 175.55 173.73 1tox s PRO 86 N 1.88 2.50 3.25 -1.71 0.04 -1.26 -3.21 135.00 136.49 1tox s PRO 86 Ca 0.21 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1tox s PRO 86 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1tox s PRO 86 CO 0.09 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1tox n GLY 87 N -0.82 0.03 3.69 0.56 0.00 -1.26 -4.76 105.19 102.62 1tox n GLY 87 Ca 0.10 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 4.18 -0.10 0.99 2.01 -1.26 -1.66 118.68 122.84 1tox s LEU 88 Ca 0.00 0.45 0.03 0.00 0.01 0.00 0.00 54.13 54.62 1tox s LEU 88 Cb 0.00 -2.40 0.00 0.00 0.01 0.00 0.00 46.19 43.80 1tox s LEU 88 CO 0.00 0.01 -0.22 -0.89 1.01 0.00 0.00 176.35 176.26 1tox s THR 89 N 0.98 1.89 -0.23 5.49 2.01 0.24 0.12 115.64 126.15 1tox s THR 89 Ca 0.16 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 1tox s THR 89 Cb -0.14 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1tox s THR 89 CO 0.06 0.52 0.58 -0.75 -0.69 0.00 0.00 174.62 174.35 1tox s LYS 90 N 0.47 4.14 -0.46 4.92 2.47 -0.23 -1.06 119.74 129.99 1tox s LYS 90 Ca -0.16 0.49 -0.16 0.00 -1.56 0.00 0.00 55.97 54.58 1tox s LYS 90 Cb -0.17 -3.61 0.06 0.00 -1.46 0.00 0.00 37.83 32.64 1tox s LYS 90 CO 0.07 -0.30 0.43 0.08 0.16 0.00 0.00 175.35 175.78 1tox s VAL 91 N 2.14 5.16 -0.37 4.02 1.01 -0.20 -1.30 120.40 130.87 1tox s VAL 91 Ca 0.25 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 1tox s VAL 91 Cb -0.16 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1tox s VAL 91 CO 0.09 -0.57 0.59 -0.22 0.00 0.00 0.00 175.10 175.00 1tox s LEU 92 N 1.86 4.33 -0.02 3.92 2.96 -0.67 -2.40 118.68 128.68 1tox s LEU 92 Ca 0.07 0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.72 1tox s LEU 92 Cb -0.22 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1tox s LEU 92 CO 0.09 -0.58 0.82 0.00 -1.32 0.00 0.00 176.35 175.36 1tox s ALA 93 N 2.60 3.27 -0.10 5.97 0.00 -1.26 -0.14 121.76 132.11 1tox s ALA 93 Ca 0.22 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1tox s ALA 93 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1tox s ALA 93 CO 0.15 -0.12 0.02 -0.51 0.00 0.00 0.00 175.76 175.30 1tox s LEU 94 N 0.69 3.68 0.01 0.00 1.43 0.06 -1.03 118.68 123.52 1tox s LEU 94 Ca 0.43 0.17 0.25 0.00 -1.03 0.00 0.00 54.13 53.96 1tox s LEU 94 Cb -0.20 -1.85 0.54 0.00 0.03 0.00 0.00 46.19 44.71 1tox s LEU 94 CO 0.23 0.37 1.44 0.29 0.23 0.00 0.00 176.35 178.90 1tox n LYS 95 N 2.23 0.04 -3.98 1.70 5.02 -0.06 -4.72 118.16 118.39 1tox n LYS 95 Ca -0.19 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.03 1tox n LYS 95 Cb 0.54 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 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 -3.02 0.16 -0.35 -0.18 0.11 -1.26 -5.04 120.40 110.82 1tox s VAL 96 Ca 0.11 -1.31 0.09 0.00 -2.93 0.00 0.00 61.98 57.94 1tox s VAL 96 Cb 0.17 -1.07 0.23 0.00 -1.53 0.00 0.00 36.38 34.18 1tox s VAL 96 CO 0.69 -0.72 1.17 -0.90 -3.33 0.00 0.00 175.10 172.01 1tox n ASP 97 N 0.56 2.66 -4.50 3.54 5.75 -1.26 -4.94 116.55 118.36 1tox n ASP 97 Ca -0.18 -2.34 -0.43 0.00 -0.01 0.00 0.00 54.79 51.83 1tox n ASP 97 Cb 0.59 -0.23 -0.06 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 -1.46 6.30 0.54 -1.12 3.84 -1.26 -4.95 114.94 116.84 1tox s ASN 98 Ca 0.19 -0.51 0.22 0.00 0.21 0.00 0.00 52.86 52.98 1tox s ASN 98 Cb 0.14 -2.34 1.44 0.00 -0.55 0.00 0.00 41.25 39.94 1tox s ASN 98 CO 0.07 -0.94 2.12 0.00 -2.79 0.00 0.00 177.10 175.56 1tox h ALA 99 N 9.03 2.02 0.20 1.71 0.00 -1.99 -1.69 119.26 128.55 1tox h ALA 99 Ca -0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1tox h ALA 99 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1tox h ALA 99 CO 0.97 -0.21 -0.10 0.93 0.00 0.00 0.00 179.25 180.84 1tox h GLU 100 N 0.00 -0.26 -0.61 0.00 5.08 -1.99 0.70 114.58 117.50 1tox h GLU 100 Ca 0.08 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1tox h GLU 100 Cb 0.33 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1tox h GLU 100 CO -0.00 0.01 0.34 1.15 -1.00 0.00 0.00 179.01 179.51 1tox h THR 101 N -0.52 0.99 0.64 1.13 2.02 -1.84 0.82 112.91 116.14 1tox h THR 101 Ca -0.03 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1tox h THR 101 Cb 0.39 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1tox h THR 101 CO 0.05 0.12 -0.31 0.40 0.37 0.00 0.00 175.52 176.15 1tox h ILE 102 N 0.65 0.35 -0.80 3.11 2.04 -1.15 0.19 117.51 121.90 1tox h ILE 102 Ca 0.27 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.10 1tox h ILE 102 Cb 0.14 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1tox h ILE 102 CO -0.16 0.01 0.48 0.11 0.00 0.00 0.00 178.15 178.60 1tox h LYS 103 N -0.92 0.87 0.78 2.37 1.57 -0.74 0.06 116.57 120.55 1tox h LYS 103 Ca -0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1tox h LYS 103 Cb 0.68 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1tox h LYS 103 CO 0.14 0.57 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.00 1tox h LYS 104 N 0.89 -1.01 -0.16 3.15 3.64 -0.73 0.54 116.57 122.90 1tox h LYS 104 Ca 0.35 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 1tox h LYS 104 Cb 0.16 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1tox h LYS 104 CO -0.17 -0.67 0.14 0.93 -2.27 0.00 0.00 179.45 177.41 1tox h GLU 105 N -1.22 0.00 -0.14 1.90 4.39 -0.81 0.41 114.58 119.10 1tox h GLU 105 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1tox h GLU 105 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1tox h GLU 105 CO 0.18 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.31 1tox n LEU 106 N -4.13 1.87 -1.82 1.33 4.77 -0.01 -3.38 117.00 115.62 1tox n LEU 106 Ca 0.01 -0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 55.05 1tox n LEU 106 Cb 0.26 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1tox n LEU 106 CO 0.31 0.37 -0.22 0.61 -1.33 0.00 0.00 177.39 177.13 1tox n GLY 107 N 1.19 1.15 3.72 -0.72 0.00 0.14 -4.96 105.19 105.72 1tox n GLY 107 Ca 0.17 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.07 1.74 0.02 0.99 1.43 0.18 -4.91 118.68 113.07 1tox s LEU 108 Ca 0.00 1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.86 1tox s LEU 108 Cb 0.00 -3.29 -0.08 0.00 0.03 0.00 0.00 46.19 42.85 1tox s LEU 108 CO 0.00 -2.91 1.87 -0.55 0.23 0.00 0.00 176.35 174.99 1tox s SER 109 N -3.73 6.51 0.00 2.29 0.15 -1.26 -4.66 113.70 112.99 1tox s SER 109 Ca 0.65 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.87 1tox s SER 109 Cb -0.17 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1tox s SER 109 CO 0.56 -1.01 0.81 0.18 1.20 0.00 0.00 173.24 174.98 1tox n LEU 110 N 7.18 0.17 -0.06 3.45 4.32 -1.26 -3.65 117.00 127.15 1tox n LEU 110 Ca 0.19 -0.09 -0.12 0.00 -0.02 0.00 0.00 56.01 55.97 1tox n LEU 110 Cb 0.41 -0.09 -0.04 0.00 -1.62 0.00 0.00 43.42 42.08 1tox n LEU 110 CO 0.66 0.04 -0.90 0.35 -1.22 0.00 0.00 177.39 176.32 1tox n THR 111 N -0.39 0.64 -1.96 -5.08 -2.24 -1.26 -5.02 114.28 98.96 1tox n THR 111 Ca 0.00 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 1tox n THR 111 Cb 0.04 -1.65 0.04 0.00 -2.10 0.00 0.00 70.33 66.66 1tox n THR 111 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tox s GLU 112 N -2.21 2.99 0.35 -0.78 2.02 -1.24 -4.96 118.70 114.86 1tox s GLU 112 Ca -0.16 1.91 -0.26 0.00 0.02 0.00 0.00 54.97 56.48 1tox s GLU 112 Cb 0.06 -1.99 -0.09 0.00 0.10 0.00 0.00 34.13 32.21 1tox s GLU 112 CO 0.20 -1.22 1.07 -1.25 0.02 0.00 0.00 175.26 174.09 1tox s PRO 113 N -3.24 4.35 0.13 0.39 0.04 -1.26 -4.90 135.00 130.51 1tox s PRO 113 Ca 0.77 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 63.14 1tox s PRO 113 Cb -0.33 -2.81 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 1tox s PRO 113 CO 0.36 -0.00 1.51 1.25 0.04 0.00 0.00 177.00 180.16 1tox h LEU 114 N 3.04 -1.80 -2.16 -3.56 5.85 -1.81 -2.35 115.31 112.53 1tox h LEU 114 Ca -0.48 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1tox h LEU 114 Cb 1.21 0.75 -0.00 0.00 0.37 0.00 0.00 40.66 42.99 1tox h LEU 114 CO 0.64 -0.35 -0.01 0.24 -0.34 0.00 0.00 178.44 178.62 1tox h MET 115 N -0.32 0.00 0.00 1.25 2.86 0.86 -0.74 114.93 118.84 1tox h MET 115 Ca 0.08 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1tox h MET 115 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1tox h MET 115 CO -0.61 0.01 -0.53 0.93 1.06 0.00 0.00 176.91 177.77 1tox h GLU 116 N 0.00 0.00 0.00 1.72 4.39 -1.67 -3.23 114.58 115.80 1tox h GLU 116 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tox h GLU 116 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1tox h GLU 116 CO 0.00 0.30 0.00 1.96 -1.16 0.00 0.00 179.01 180.11 1tox h GLN 117 N 0.00 0.00 0.00 2.33 4.20 -0.80 -3.21 115.11 117.63 1tox h GLN 117 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1tox h GLN 117 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1tox h GLN 117 CO 0.04 0.00 0.00 0.28 -0.67 0.00 0.00 178.83 178.48 1tox h VAL 118 N 0.00 0.00 -0.01 -0.54 2.07 -1.47 -3.17 116.25 113.12 1tox h VAL 118 Ca 0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1tox h VAL 118 Cb 0.91 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1tox h VAL 118 CO 0.00 0.00 -0.48 0.61 0.02 0.00 0.00 177.57 177.72 1tox n GLY 119 N 0.52 -0.00 3.78 2.17 0.00 -1.21 -4.39 105.19 106.06 1tox n GLY 119 Ca 0.02 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.42 3.56 0.16 2.61 -4.23 -1.20 -4.92 115.64 109.21 1tox s THR 120 Ca 0.17 1.10 -0.16 0.00 -1.18 0.00 0.00 61.69 61.62 1tox s THR 120 Cb 0.17 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.55 1tox s THR 120 CO 0.56 -0.09 1.70 -0.33 -0.54 0.00 0.00 174.62 175.93 1tox h GLU 121 N 2.01 0.11 -0.33 3.99 3.07 -1.93 -1.41 114.58 120.09 1tox h GLU 121 Ca -0.49 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.43 1tox h GLU 121 Cb 1.23 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.05 1tox h GLU 121 CO 0.60 0.07 -0.10 1.49 -1.40 0.00 0.00 179.01 179.67 1tox h GLU 122 N 0.11 -0.02 -0.66 2.33 4.81 -1.93 0.79 114.58 120.00 1tox h GLU 122 Ca 0.19 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1tox h GLU 122 Cb 0.26 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1tox h GLU 122 CO -0.31 -0.02 0.21 0.35 -0.73 0.00 0.00 179.01 178.51 1tox h PHE 123 N -0.03 1.06 0.00 0.92 3.04 -1.69 0.13 116.94 120.37 1tox h PHE 123 Ca 0.16 -0.11 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 1tox h PHE 123 Cb 0.27 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1tox h PHE 123 CO -0.32 0.86 -0.40 0.82 -2.02 0.00 0.00 178.31 177.25 1tox h ILE 124 N 0.95 1.09 0.12 1.41 2.04 -0.57 -1.10 117.51 121.45 1tox h ILE 124 Ca 0.21 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1tox h ILE 124 Cb 0.29 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1tox h ILE 124 CO -0.01 0.39 -0.06 0.50 0.00 0.00 0.00 178.15 178.98 1tox h LYS 125 N 0.00 -0.15 0.52 2.37 3.64 0.15 -1.36 116.57 121.73 1tox h LYS 125 Ca -0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1tox h LYS 125 Cb 0.80 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1tox h LYS 125 CO 0.05 0.27 -0.25 0.00 -2.27 0.00 0.00 179.45 177.25 1tox h ARG 126 N -0.65 -0.67 -0.20 1.90 3.08 -0.62 -3.35 114.38 113.86 1tox h ARG 126 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1tox h ARG 126 Cb 0.50 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1tox h ARG 126 CO 0.03 -0.43 0.00 1.19 -1.07 0.00 0.00 179.97 179.68 1tox n PHE 127 N -5.38 0.26 0.20 3.04 3.01 -0.43 -4.52 117.46 113.65 1tox n PHE 127 Ca -0.12 -0.26 0.11 0.00 1.01 0.00 0.00 57.45 58.19 1tox n PHE 127 Cb 0.30 -0.01 0.14 0.00 -0.01 0.00 0.00 39.48 39.89 1tox n PHE 127 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1tox h GLY 128 N 2.28 0.00 -6.30 1.37 0.00 -1.36 -3.48 103.07 95.58 1tox h GLY 128 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1tox h GLY 128 CO 0.00 0.00 -0.77 1.22 0.00 0.00 0.00 176.54 176.99 1tox n ASP 129 N -3.10 -4.14 0.00 0.19 8.00 -1.26 -1.33 116.55 114.92 1tox n ASP 129 Ca 0.03 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1tox n ASP 129 Cb 0.56 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 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 1.84 3.78 0.44 0.00 -1.26 -5.04 105.19 103.27 1tox n GLY 130 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.36 2.73 0.53 4.61 0.00 -0.44 -4.92 121.76 121.91 1tox s ALA 131 Ca 0.00 0.75 0.32 0.00 0.00 0.00 0.00 51.96 53.03 1tox s ALA 131 Cb 0.00 -3.33 1.80 0.00 0.00 0.00 0.00 23.12 21.59 1tox s ALA 131 CO 0.00 -0.68 2.21 0.77 0.00 0.00 0.00 175.76 178.06 1tox h SER 132 N 1.22 0.00 -5.18 0.00 0.02 0.67 -3.46 113.55 106.82 1tox h SER 132 Ca -0.50 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.53 1tox h SER 132 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 1tox h SER 132 CO 0.57 0.04 0.40 0.00 -1.14 0.00 0.00 176.83 176.70 1tox s ARG 133 N -4.36 1.74 -0.05 3.45 3.03 -1.25 -5.06 118.95 116.45 1tox s ARG 133 Ca -0.04 -1.08 0.05 0.00 2.03 0.00 0.00 55.73 56.69 1tox s ARG 133 Cb 0.14 0.51 -0.01 0.00 -1.03 0.00 0.00 34.95 34.56 1tox s ARG 133 CO 0.53 -0.81 -0.20 0.08 -1.13 0.00 0.00 175.30 173.78 1tox s VAL 134 N -2.60 1.63 -0.16 4.99 1.01 -1.26 -1.06 120.40 122.95 1tox s VAL 134 Ca 0.17 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1tox s VAL 134 Cb -0.04 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1tox s VAL 134 CO 0.08 0.46 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 1tox s VAL 135 N -0.03 2.26 0.37 2.92 1.01 -0.42 -4.60 120.40 121.90 1tox s VAL 135 Ca -0.04 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1tox s VAL 135 Cb -0.12 -1.93 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1tox s VAL 135 CO 0.03 0.53 1.16 -0.76 0.00 0.00 0.00 175.10 176.06 1tox s LEU 136 N 0.96 4.28 -0.07 3.92 1.43 -0.69 -1.66 118.68 126.85 1tox s LEU 136 Ca -0.03 2.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.46 1tox s LEU 136 Cb -0.15 -3.92 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 1tox s LEU 136 CO -0.04 -0.54 -0.22 -0.55 0.23 0.00 0.00 176.35 175.23 1tox s SER 137 N -1.04 2.74 -0.00 2.29 0.15 0.81 -1.11 113.70 117.54 1tox s SER 137 Ca 0.54 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 1tox s SER 137 Cb -0.31 -0.93 -0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1tox s SER 137 CO 0.40 0.18 0.03 -0.76 1.20 0.00 0.00 173.24 174.29 1tox s LEU 138 N 0.09 1.94 0.26 3.45 1.43 -0.20 -0.76 118.68 124.89 1tox s LEU 138 Ca -0.09 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 1tox s LEU 138 Cb -0.15 0.17 -0.14 0.00 0.03 0.00 0.00 46.19 46.11 1tox s LEU 138 CO 0.05 -0.13 1.27 -2.65 0.23 0.00 0.00 176.35 175.12 1tox n PRO 139 N 2.49 1.80 -0.04 1.29 -0.02 -1.26 0.39 135.00 139.65 1tox n PRO 139 Ca -0.17 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1tox n PRO 139 Cb 0.58 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 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 3.29 0.23 -1.81 6.00 3.57 -1.27 -3.41 116.94 123.53 1tox h PHE 140 Ca -0.44 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.33 1tox h PHE 140 Cb 1.30 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 39.86 1tox h PHE 140 CO 0.53 0.14 0.69 0.00 -2.23 0.00 0.00 178.31 177.44 1tox s ALA 141 N -6.18 -2.00 0.09 2.41 0.00 -1.26 -4.89 121.76 109.93 1tox s ALA 141 Ca -0.13 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1tox s ALA 141 Cb 0.08 0.48 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 1tox s ALA 141 CO 0.69 -1.05 1.12 -2.00 0.00 0.00 0.00 175.76 174.52 1tox s GLU 142 N -2.78 4.51 0.00 0.00 -6.30 -1.26 -2.56 118.70 110.32 1tox s GLU 142 Ca 0.13 1.68 0.00 0.00 -2.50 0.00 0.00 54.97 54.29 1tox s GLU 142 Cb 0.02 -3.35 0.00 0.00 0.00 0.00 0.00 34.13 30.81 1tox s GLU 142 CO -0.01 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1tox n GLY 143 N 2.79 0.76 3.16 -1.50 0.00 -1.26 -5.06 105.19 104.08 1tox n GLY 143 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.40 1.89 0.00 1.61 0.15 -1.06 -4.90 113.70 108.99 1tox s SER 144 Ca 0.00 -0.39 0.23 0.00 0.70 0.00 0.00 55.95 56.50 1tox s SER 144 Cb 0.00 -0.17 0.32 0.00 -1.71 0.00 0.00 66.02 64.46 1tox s SER 144 CO 0.00 0.13 1.33 -1.54 1.20 0.00 0.00 173.24 174.36 1tox n SER 145 N 2.26 3.24 -4.87 5.45 3.41 -1.26 -4.63 113.62 117.22 1tox n SER 145 Ca -0.16 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.16 1tox n SER 145 Cb 0.54 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.69 5.21 0.27 4.04 0.01 -1.26 -4.95 113.70 115.33 1tox s SER 146 Ca 0.34 1.14 0.12 0.00 1.31 0.00 0.00 55.95 58.85 1tox s SER 146 Cb 0.21 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.49 1tox s SER 146 CO 0.31 -1.49 -0.20 0.68 0.41 0.00 0.00 173.24 172.94 1tox s VAL 147 N -3.34 2.42 -0.15 3.43 -7.23 -1.26 -0.95 120.40 113.32 1tox s VAL 147 Ca 0.59 -2.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1tox s VAL 147 Cb -0.12 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1tox s VAL 147 CO 0.52 -0.39 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.05 1tox s GLU 148 N -3.45 3.17 -0.16 4.82 2.12 0.16 -3.39 118.70 121.97 1tox s GLU 148 Ca 0.29 -0.77 -0.09 0.00 0.36 0.00 0.00 54.97 54.75 1tox s GLU 148 Cb -0.05 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1tox s GLU 148 CO 0.14 0.01 0.14 0.71 -0.54 0.00 0.00 175.26 175.72 1tox s TYR 149 N 0.82 3.49 -0.29 5.30 2.02 0.57 -1.04 117.35 128.23 1tox s TYR 149 Ca -0.06 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 1tox s TYR 149 Cb -0.15 -2.07 0.06 0.00 -0.40 0.00 0.00 41.96 39.39 1tox s TYR 149 CO -0.01 0.48 -0.04 0.42 -1.57 0.00 0.00 175.55 174.84 1tox s ILE 150 N -0.24 2.63 -0.06 2.71 1.01 -0.26 -2.33 121.20 124.66 1tox s ILE 150 Ca 0.11 -1.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.05 1tox s ILE 150 Cb -0.12 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1tox s ILE 150 CO 0.01 -0.11 0.46 0.20 0.00 0.00 0.00 174.94 175.50 1tox s ASN 151 N 1.19 6.75 0.10 3.58 -0.87 0.14 -1.71 114.94 124.13 1tox s ASN 151 Ca -0.06 0.90 -0.31 0.00 -1.57 0.00 0.00 52.86 51.82 1tox s ASN 151 Cb -0.20 -2.28 -0.07 0.00 -0.02 0.00 0.00 41.25 38.68 1tox s ASN 151 CO -0.03 0.13 1.36 0.21 -2.57 0.00 0.00 177.10 176.20 1tox s ASN 152 N -0.07 6.87 0.26 -1.22 3.84 -1.26 -0.46 114.94 122.89 1tox s ASN 152 Ca 0.25 2.26 -0.04 0.00 0.21 0.00 0.00 52.86 55.54 1tox s ASN 152 Cb -0.16 -2.58 0.54 0.00 -0.55 0.00 0.00 41.25 38.50 1tox s ASN 152 CO 0.12 -0.62 1.64 -0.50 -2.79 0.00 0.00 177.10 174.95 1tox h TRP 153 N 6.86 0.11 0.26 0.43 -0.00 -1.86 -1.05 115.95 120.70 1tox h TRP 153 Ca -0.42 0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 58.51 1tox h TRP 153 Cb 1.21 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 30.45 1tox h TRP 153 CO 0.67 -0.22 -0.13 1.49 -0.00 0.00 0.00 178.44 180.24 1tox h GLU 154 N 0.15 -0.34 -0.05 0.49 4.57 -1.95 -2.98 114.58 114.47 1tox h GLU 154 Ca 0.47 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.67 1tox h GLU 154 Cb 0.87 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1tox h GLU 154 CO -0.66 -0.11 0.02 1.96 -1.18 0.00 0.00 179.01 179.03 1tox h GLN 155 N -0.52 0.06 0.00 1.92 1.08 -1.82 -1.05 115.11 114.78 1tox h GLN 155 Ca -0.04 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1tox h GLN 155 Cb 0.39 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1tox h GLN 155 CO 0.06 0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 1tox n ALA 156 N -2.53 1.37 0.28 3.87 0.00 -0.43 -1.47 120.51 121.61 1tox n ALA 156 Ca -0.02 0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.66 1tox n ALA 156 Cb 0.10 -1.27 0.78 0.00 0.00 0.00 0.00 19.45 19.06 1tox n ALA 156 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1tox h LYS 157 N 0.00 0.00 0.00 0.00 1.57 -1.21 -2.53 116.57 114.40 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 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1tox h LYS 157 CO 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1tox h ALA 158 N 1.96 1.00 -2.85 3.86 0.00 -1.45 -3.45 119.26 118.32 1tox h ALA 158 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1tox h ALA 158 Cb 0.41 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.28 1tox h ALA 158 CO 0.00 0.00 0.81 -0.51 0.00 0.00 0.00 179.25 179.55 1tox s LEU 159 N -4.64 4.35 -0.16 0.00 1.43 -0.95 -4.52 118.68 114.19 1tox s LEU 159 Ca 0.10 2.92 -0.16 0.00 -1.03 0.00 0.00 54.13 55.96 1tox s LEU 159 Cb 0.12 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1tox s LEU 159 CO 0.59 -0.83 0.41 -0.55 0.23 0.00 0.00 176.35 176.19 1tox s SER 160 N 0.15 6.54 -0.21 2.29 0.15 0.29 -4.75 113.70 118.16 1tox s SER 160 Ca 0.57 0.64 -0.04 0.00 0.70 0.00 0.00 55.95 57.82 1tox s SER 160 Cb -0.46 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1tox s SER 160 CO 0.53 -0.00 -0.02 -0.69 1.20 0.00 0.00 173.24 174.26 1tox s VAL 161 N 0.84 3.67 0.19 4.45 1.01 -1.26 -0.05 120.40 129.25 1tox s VAL 161 Ca 0.21 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1tox s VAL 161 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1tox s VAL 161 CO 0.08 0.42 -0.21 -1.61 0.00 0.00 0.00 175.10 173.78 1tox s GLU 162 N 1.26 1.43 0.04 2.72 2.02 0.58 -4.81 118.70 121.95 1tox s GLU 162 Ca 0.03 -1.50 -0.19 0.00 0.02 0.00 0.00 54.97 53.34 1tox s GLU 162 Cb -0.14 -1.62 -0.06 0.00 0.10 0.00 0.00 34.13 32.40 1tox s GLU 162 CO -0.00 0.34 0.54 -1.17 0.02 0.00 0.00 175.26 174.99 1tox s LEU 163 N -2.75 4.49 -0.19 1.80 2.96 -1.26 0.12 118.68 123.85 1tox s LEU 163 Ca 0.20 1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 55.12 1tox s LEU 163 Cb -0.07 -2.84 -0.07 0.00 0.50 0.00 0.00 46.19 43.72 1tox s LEU 163 CO 0.09 0.25 -0.28 -0.62 -1.32 0.00 0.00 176.35 174.46 1tox n GLU 164 N 1.98 0.53 -3.52 1.98 -0.58 0.59 -4.78 120.64 116.84 1tox n GLU 164 Ca -0.10 0.31 -0.17 0.00 -0.42 0.00 0.00 57.16 56.77 1tox n GLU 164 Cb 0.51 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 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 -2.67 0.00 -0.21 -3.67 2.07 -1.00 -4.99 121.20 110.73 1tox s ILE 165 Ca -0.28 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1tox s ILE 165 Cb 0.06 -0.99 0.05 0.00 0.13 0.00 0.00 42.46 41.71 1tox s ILE 165 CO 0.41 -0.01 -0.10 0.21 -1.91 0.00 0.00 174.94 173.53 1tox s ASN 166 N -1.30 3.58 0.40 4.50 3.84 -1.26 -1.12 114.94 123.59 1tox s ASN 166 Ca -0.10 -0.98 0.20 0.00 0.21 0.00 0.00 52.86 52.18 1tox s ASN 166 Cb -0.00 -1.28 0.78 0.00 -0.55 0.00 0.00 41.25 40.20 1tox s ASN 166 CO 0.08 -0.16 1.78 -0.26 -2.79 0.00 0.00 177.10 175.76 1tox h PHE 167 N 7.94 0.00 -0.05 0.43 0.04 -0.22 -2.86 116.94 122.23 1tox h PHE 167 Ca -0.26 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.38 1tox h PHE 167 Cb 1.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 1tox h PHE 167 CO 0.52 0.33 -0.57 0.93 -0.60 0.00 0.00 178.31 178.93 1tox h GLU 168 N 0.00 0.14 0.00 1.51 5.08 -1.62 -2.91 114.58 116.78 1tox h GLU 168 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1tox h GLU 168 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1tox h GLU 168 CO 0.04 0.67 -0.36 1.15 -1.00 0.00 0.00 179.01 179.51 1tox h THR 169 N 0.11 1.07 0.00 1.13 2.02 -1.84 -2.64 112.91 112.76 1tox h THR 169 Ca -0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1tox h THR 169 Cb 1.03 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1tox h THR 169 CO 0.08 0.35 0.00 0.54 0.37 0.00 0.00 175.52 176.86 1tox n ARG 170 N -3.84 0.02 -3.37 6.66 5.12 -1.10 -4.90 116.66 115.26 1tox n ARG 170 Ca -0.01 0.33 -0.23 0.00 -1.93 0.00 0.00 57.85 56.01 1tox n ARG 170 Cb 0.43 -1.55 -0.00 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.35 -0.48 3.98 -0.13 0.00 -0.99 -4.98 105.19 102.23 1tox n GLY 171 Ca 0.02 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.02 3.12 0.80 1.61 1.02 -1.26 -5.10 119.74 113.92 1tox s LYS 172 Ca 0.40 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 1tox s LYS 172 Cb -0.21 -2.75 0.07 0.00 -0.52 0.00 0.00 37.83 34.42 1tox s LYS 172 CO 0.49 -0.00 1.09 1.03 -0.92 0.00 0.00 175.35 177.04 1tox s ARG 173 N -4.27 2.03 0.00 1.68 3.00 -1.26 -4.83 118.95 115.30 1tox s ARG 173 Ca 0.45 0.81 0.00 0.00 0.00 0.00 0.00 55.73 56.99 1tox s ARG 173 Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 34.95 32.96 1tox s ARG 173 CO 0.33 -1.70 0.00 0.41 0.00 0.00 0.00 175.30 174.34 1tox n GLY 174 N -1.71 2.48 1.47 -3.53 0.00 -1.26 -1.36 105.19 101.28 1tox n GLY 174 Ca 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 13.73 2.51 -0.13 1.61 6.02 -1.26 -4.73 117.38 135.14 1tox n GLN 175 Ca 0.00 -3.07 -0.04 0.00 -0.01 0.00 0.00 57.00 53.88 1tox n GLN 175 Cb 0.00 -1.97 0.03 0.00 1.02 0.00 0.00 30.24 29.32 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 1.50 -0.23 -0.96 1.08 5.19 -1.54 -2.09 116.42 119.37 1tox h ASP 176 Ca 0.26 0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1tox h ASP 176 Cb 1.98 0.20 -0.05 0.00 0.18 0.00 0.00 39.33 41.63 1tox h ASP 176 CO 0.56 -0.07 0.63 0.00 -3.12 0.00 0.00 179.24 177.24 1tox h ALA 177 N 1.39 1.25 0.14 3.45 0.00 -1.85 0.11 119.26 123.75 1tox h ALA 177 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1tox h ALA 177 Cb 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1tox h ALA 177 CO -0.37 0.56 -0.07 1.98 0.00 0.00 0.00 179.25 181.35 1tox h MET 178 N 1.26 -0.18 -0.14 0.00 1.85 -1.75 -2.66 114.93 113.31 1tox h MET 178 Ca 0.37 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.37 1tox h MET 178 Cb -0.07 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1tox h MET 178 CO -0.10 0.14 -0.35 1.88 -0.40 0.00 0.00 176.91 178.07 1tox h TYR 179 N -0.52 0.32 0.00 1.39 0.05 -1.30 -1.76 116.97 115.15 1tox h TYR 179 Ca -0.02 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 1tox h TYR 179 Cb 0.40 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1tox h TYR 179 CO 0.03 0.60 -0.30 0.93 -1.05 0.00 0.00 178.16 178.37 1tox h GLU 180 N 0.24 0.00 -0.03 4.88 5.08 -0.83 -2.28 114.58 121.64 1tox h GLU 180 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1tox h GLU 180 Cb 0.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1tox h GLU 180 CO 0.06 0.30 -0.55 -0.92 -1.00 0.00 0.00 179.01 176.89 1tox h TYR 181 N 0.00 0.61 -0.08 4.33 3.20 -1.08 -3.17 116.97 120.78 1tox h TYR 181 Ca -0.00 -0.31 -0.08 0.00 3.14 0.00 0.00 58.73 61.47 1tox h TYR 181 Cb 0.91 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1tox h TYR 181 CO 0.00 1.12 -0.32 0.52 -1.64 0.00 0.00 178.16 177.83 1tox h MET 182 N -0.06 0.16 0.00 1.82 2.86 -1.33 -2.08 114.93 116.30 1tox h MET 182 Ca -0.06 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1tox h MET 182 Cb 1.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1tox h MET 182 CO 0.11 0.47 0.00 0.00 1.06 0.00 0.00 176.91 178.55 1tox n ALA 183 N -2.48 1.38 0.24 6.32 0.00 -0.86 -0.93 120.51 124.18 1tox n ALA 183 Ca -0.01 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1tox n ALA 183 Cb 0.40 -1.37 0.61 0.00 0.00 0.00 0.00 19.45 19.09 1tox n ALA 183 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1tox h GLN 184 N 0.00 0.00 -0.85 0.00 1.08 -1.39 -3.07 115.11 110.88 1tox h GLN 184 Ca 0.00 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.41 1tox h GLN 184 Cb 0.20 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.51 1tox h GLN 184 CO 0.00 0.17 0.30 0.00 -0.95 0.00 0.00 178.83 178.35 1tox h ALA 185 N 1.83 1.26 -0.63 3.87 0.00 -1.19 0.13 119.26 124.53 1tox h ALA 185 Ca -0.00 0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 1tox h ALA 185 Cb 0.51 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 1tox h ALA 185 CO 0.02 -0.36 0.24 0.00 0.00 0.00 0.00 179.25 179.15 1tox n ALA 187 N -0.72 0.00 -0.72 0.00 0.00 0.45 -4.61 120.51 114.90 1tox n ALA 187 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1tox n ALA 187 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.75 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 2.95 0.00 -3.71 0.00 7.64 -1.26 -5.67 113.62 113.57 1tox n SER 200 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1tox n SER 200 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.14 4.94 -0.59 0.00 1.01 -1.26 -4.98 121.20 121.45 1tox s ILE 202 Ca -0.08 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.59 1tox s ILE 202 Cb -0.08 -3.89 0.16 0.00 0.01 0.00 0.00 42.46 38.66 1tox s ILE 202 CO -0.09 -0.46 0.40 0.21 0.00 0.00 0.00 174.94 174.99 1tox s ASN 203 N 2.17 4.07 0.06 3.58 3.04 -1.26 -4.85 114.94 121.75 1tox s ASN 203 Ca 0.04 -3.43 -0.03 0.00 0.04 0.00 0.00 52.86 49.47 1tox s ASN 203 Cb -0.22 -1.37 -0.05 0.00 -1.54 0.00 0.00 41.25 38.07 1tox s ASN 203 CO 0.06 -0.15 0.26 -0.76 -3.04 0.00 0.00 177.10 173.48 1tox s LEU 204 N -0.79 4.34 -0.57 3.21 1.02 -1.26 -5.06 118.68 119.57 1tox s LEU 204 Ca 0.24 0.43 -0.17 0.00 0.02 0.00 0.00 54.13 54.65 1tox s LEU 204 Cb -0.09 -2.94 0.12 0.00 0.02 0.00 0.00 46.19 43.30 1tox s LEU 204 CO -0.12 0.17 0.61 -0.62 0.02 0.00 0.00 176.35 176.41 1tox s ASP 205 N -2.22 6.19 0.55 2.29 -1.08 -1.26 -4.92 116.67 116.23 1tox s ASP 205 Ca 0.34 -1.62 0.33 0.00 -0.52 0.00 0.00 52.55 51.08 1tox s ASP 205 Cb -0.13 -2.26 1.57 0.00 -1.46 0.00 0.00 42.92 40.64 1tox s ASP 205 CO 0.23 -0.99 2.08 -0.50 0.52 0.00 0.00 175.17 176.51 1tox h TRP 206 N 9.03 0.00 -0.17 -5.34 4.06 -1.97 -1.73 115.95 119.84 1tox h TRP 206 Ca -0.29 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.60 1tox h TRP 206 Cb 1.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1tox h TRP 206 CO 0.79 0.07 -0.10 -0.44 -3.56 0.00 0.00 178.44 175.19 1tox h ASP 207 N 0.00 0.38 -0.55 -3.49 3.32 -1.98 0.12 116.42 114.22 1tox h ASP 207 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1tox h ASP 207 Cb 0.37 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1tox h ASP 207 CO 0.01 0.73 0.32 0.58 -1.72 0.00 0.00 179.24 179.16 1tox h VAL 208 N 0.04 1.17 -0.51 -1.35 2.07 -1.81 -1.29 116.25 114.57 1tox h VAL 208 Ca 0.04 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1tox h VAL 208 Cb 0.59 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1tox h VAL 208 CO 0.03 0.18 -0.03 0.40 0.02 0.00 0.00 177.57 178.16 1tox h ILE 209 N 0.74 1.27 -0.66 4.57 2.04 -1.28 -0.79 117.51 123.41 1tox h ILE 209 Ca 0.20 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1tox h ILE 209 Cb 0.01 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1tox h ILE 209 CO -0.04 0.40 0.16 0.03 0.00 0.00 0.00 178.15 178.71 1tox h ARG 210 N 0.79 1.05 -0.29 2.37 3.08 -0.63 -1.51 114.38 119.23 1tox h ARG 210 Ca 0.14 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1tox h ARG 210 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1tox h ARG 210 CO 0.03 0.94 -0.37 -0.44 -1.07 0.00 0.00 179.97 179.06 1tox h ASP 211 N 0.97 0.71 0.06 7.04 3.32 -0.99 -2.94 116.42 124.59 1tox h ASP 211 Ca 0.21 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 1tox h ASP 211 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1tox h ASP 211 CO 0.00 1.01 -0.51 0.11 -1.72 0.00 0.00 179.24 178.12 1tox h LYS 212 N 0.56 0.50 -0.21 3.56 1.57 -1.05 -2.84 116.57 118.66 1tox h LYS 212 Ca 0.05 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1tox h LYS 212 Cb 0.89 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1tox h LYS 212 CO 0.08 0.89 0.10 1.15 -0.57 0.00 0.00 179.45 181.11 1tox h THR 213 N 0.39 1.00 -0.06 -0.16 2.02 -1.20 -1.25 112.91 113.65 1tox h THR 213 Ca 0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1tox h THR 213 Cb 1.03 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1tox h THR 213 CO 0.09 0.04 0.03 0.11 0.37 0.00 0.00 175.52 176.17 1tox h LYS 214 N 0.22 0.09 -0.42 6.66 1.79 -1.50 -1.49 116.57 121.92 1tox h LYS 214 Ca 0.08 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.62 1tox h LYS 214 Cb 0.02 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.58 1tox h LYS 214 CO -0.06 0.14 0.02 1.15 -1.08 0.00 0.00 179.45 179.63 1tox h THR 215 N 0.01 0.70 -0.31 -0.16 2.02 -1.36 -1.68 112.91 112.13 1tox h THR 215 Ca 0.02 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1tox h THR 215 Cb 0.08 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1tox h THR 215 CO -0.00 0.02 -0.21 0.11 0.37 0.00 0.00 175.52 175.81 1tox h LYS 216 N 0.13 0.59 -0.48 6.66 1.57 -1.03 -1.45 116.57 122.55 1tox h LYS 216 Ca 0.21 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1tox h LYS 216 Cb 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1tox h LYS 216 CO -0.33 0.76 0.03 0.82 -0.57 0.00 0.00 179.45 180.16 1tox h ILE 217 N 0.52 1.26 0.37 1.86 2.04 -1.01 -1.52 117.51 121.02 1tox h ILE 217 Ca 0.08 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1tox h ILE 217 Cb 0.65 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1tox h ILE 217 CO 0.05 0.35 -0.33 -0.08 0.00 0.00 0.00 178.15 178.14 1tox h GLU 218 N 0.68 -0.69 -0.81 2.37 4.81 -0.86 -1.43 114.58 118.65 1tox h GLU 218 Ca 0.14 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1tox h GLU 218 Cb 0.46 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1tox h GLU 218 CO 0.02 -0.46 0.54 0.77 -0.73 0.00 0.00 179.01 179.15 1tox h SER 219 N -0.71 0.89 -0.14 1.04 0.02 -1.25 -2.52 113.55 110.88 1tox h SER 219 Ca -0.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1tox h SER 219 Cb 0.64 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1tox h SER 219 CO -0.04 0.63 0.00 -0.07 -1.14 0.00 0.00 176.83 176.21 1tox h LEU 220 N 1.05 0.24 -0.93 5.07 3.38 -0.94 -3.25 115.31 119.92 1tox h LEU 220 Ca 0.31 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1tox h LEU 220 Cb -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1tox h LEU 220 CO -0.08 0.48 0.61 0.11 0.09 0.00 0.00 178.44 179.65 1tox h LYS 221 N -0.01 1.19 -3.51 1.13 1.57 -1.12 -3.15 116.57 112.67 1tox h LYS 221 Ca 0.04 -0.07 -0.79 0.00 -1.87 0.00 0.00 60.65 57.96 1tox h LYS 221 Cb 0.36 -0.27 -0.25 0.00 0.08 0.00 0.00 32.23 32.14 1tox h LYS 221 CO 0.01 0.79 0.85 0.39 -0.57 0.00 0.00 179.45 180.91 1tox n GLU 222 N -4.46 3.84 -3.61 3.15 -0.58 -0.96 -4.61 120.64 113.40 1tox n GLU 222 Ca 0.11 -4.32 -0.06 0.00 -0.42 0.00 0.00 57.16 52.47 1tox n GLU 222 Cb 0.05 -2.64 -0.08 0.00 -0.57 0.00 0.00 31.44 28.20 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 -1.22 -0.95 0.00 -0.32 2.46 -1.19 -4.78 115.29 109.29 1tox s HIS 223 Ca 0.33 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.52 1tox s HIS 223 Cb -0.02 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 1tox s HIS 223 CO 0.00 -0.56 0.27 0.41 -2.47 0.00 0.00 174.74 172.39 1tox n GLY 224 N 5.40 -1.41 0.36 1.59 0.00 -1.26 0.10 105.19 109.98 1tox n GLY 224 Ca -0.09 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 0.95 0.04 1.61 0.11 -1.97 0.11 132.00 132.84 1tox h PRO 225 Ca 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1tox h PRO 225 Cb 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.90 1tox h PRO 225 CO 0.00 0.63 -0.02 0.82 -0.21 0.00 0.00 178.00 179.22 1tox h ILE 226 N 0.97 1.22 -0.86 4.15 2.04 -1.52 0.30 117.51 123.81 1tox h ILE 226 Ca 0.38 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1tox h ILE 226 Cb 0.24 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1tox h ILE 226 CO -0.15 0.21 0.57 0.11 0.00 0.00 0.00 178.15 178.89 1tox h LYS 227 N -0.41 1.06 -0.42 2.37 1.57 0.02 0.31 116.57 121.06 1tox h LYS 227 Ca -0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1tox h LYS 227 Cb 0.38 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1tox h LYS 227 CO 0.01 0.70 0.16 -0.91 -0.57 0.00 0.00 179.45 178.84 1tox h ASN 228 N 1.09 0.59 -0.65 0.86 -0.26 -0.56 -0.46 115.58 116.19 1tox h ASN 228 Ca 0.34 -0.18 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 1tox h ASN 228 Cb -0.01 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 1tox h ASN 228 CO -0.09 0.61 0.19 0.50 -1.06 0.00 0.00 177.43 177.58 1tox h LYS 229 N 0.54 1.04 -0.61 0.81 1.63 0.11 -2.53 116.57 117.56 1tox h LYS 229 Ca 0.14 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1tox h LYS 229 Cb 0.21 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1tox h LYS 229 CO -0.01 0.90 0.25 0.52 -3.45 0.00 0.00 179.45 177.65 1tox h MET 230 N 1.00 0.91 -1.01 1.90 2.86 -0.05 -2.87 114.93 117.67 1tox h MET 230 Ca 0.22 -0.16 0.26 0.00 -2.06 0.00 0.00 59.70 57.96 1tox h MET 230 Cb 0.31 -0.15 -0.13 0.00 0.06 0.00 0.00 31.60 31.69 1tox h MET 230 CO -0.00 0.77 0.59 0.77 1.06 0.00 0.00 176.91 180.10 1tox h SER 231 N 0.85 0.64 0.00 1.22 0.02 -0.64 0.21 113.55 115.85 1tox h SER 231 Ca 0.20 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1tox h SER 231 Cb 0.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1tox h SER 231 CO -0.02 0.05 0.00 -0.62 -1.14 0.00 0.00 176.83 175.11 1tox n GLU 232 N -4.91 1.00 -2.26 3.45 1.02 -1.08 -4.85 120.64 113.01 1tox n GLU 232 Ca 0.28 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 1tox n GLU 232 Cb 0.80 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 31.09 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 -1.21 6.92 0.63 1.62 0.15 0.73 -4.84 113.70 117.70 1tox s SER 233 Ca 0.10 2.25 0.32 0.00 0.70 0.00 0.00 55.95 59.32 1tox s SER 233 Cb 0.04 -2.59 1.77 0.00 -1.71 0.00 0.00 66.02 63.53 1tox s SER 233 CO 0.07 -0.56 2.06 -0.65 1.20 0.00 0.00 173.24 175.36 1tox h PRO 234 N 6.45 0.00 -5.46 5.44 0.11 -1.88 -3.44 132.00 133.22 1tox h PRO 234 Ca -0.43 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.36 1tox h PRO 234 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1tox h PRO 234 CO 0.83 0.00 -0.47 -1.71 -0.21 0.00 0.00 178.00 176.44 1tox n ASN 235 N -3.34 -2.87 -3.77 -2.05 5.15 -1.26 -4.90 115.26 102.22 1tox n ASN 235 Ca 0.00 -0.28 -0.10 0.00 -0.60 0.00 0.00 54.58 53.61 1tox n ASN 235 Cb 0.34 -2.43 -0.04 0.00 -0.53 0.00 0.00 39.78 37.11 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 -5.89 1.32 -0.14 1.20 -2.85 -1.24 -4.93 119.74 107.22 1tox s LYS 236 Ca 0.34 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 1tox s LYS 236 Cb -0.19 0.49 -0.07 0.00 -2.06 0.00 0.00 37.83 36.00 1tox s LYS 236 CO 0.42 -0.54 2.11 2.41 0.10 0.00 0.00 175.35 179.85 1tox n THR 237 N -0.31 0.49 -4.61 3.79 -1.04 -0.97 -4.01 114.28 107.62 1tox n THR 237 Ca -0.10 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.30 1tox n THR 237 Cb 0.63 -2.35 -0.09 0.00 -1.82 0.00 0.00 70.33 66.69 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 6.66 1.74 0.85 12.58 0.11 -0.33 -5.03 120.40 136.99 1tox s VAL 238 Ca 0.97 -1.96 -0.11 0.00 -2.93 0.00 0.00 61.98 57.95 1tox s VAL 238 Cb -0.44 -2.70 0.10 0.00 -1.53 0.00 0.00 36.38 31.81 1tox s VAL 238 CO 0.40 0.00 1.10 -0.94 -3.33 0.00 0.00 175.10 172.33 1tox s SER 239 N -3.80 3.76 0.21 3.54 1.04 -1.26 -4.66 113.70 112.53 1tox s SER 239 Ca 0.26 1.73 -0.09 0.00 0.48 0.00 0.00 55.95 58.33 1tox s SER 239 Cb 0.06 -2.39 0.16 0.00 0.10 0.00 0.00 66.02 63.95 1tox s SER 239 CO 0.13 -2.49 1.82 -0.08 0.98 0.00 0.00 173.24 173.60 1tox h GLU 240 N -1.45 1.09 0.00 4.02 4.81 -1.99 -0.15 114.58 120.91 1tox h GLU 240 Ca -0.46 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.58 1tox h GLU 240 Cb 1.26 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1tox h GLU 240 CO 0.51 0.81 -0.24 1.49 -0.73 0.00 0.00 179.01 180.86 1tox h GLU 241 N 1.08 0.00 0.16 1.92 4.57 -2.00 -1.87 114.58 118.43 1tox h GLU 241 Ca 0.27 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.14 1tox h GLU 241 Cb 0.05 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1tox h GLU 241 CO -0.04 0.24 -1.47 -0.22 -1.18 0.00 0.00 179.01 176.34 1tox h LYS 242 N 0.00 0.34 0.35 1.92 3.11 -1.79 -2.98 116.57 117.52 1tox h LYS 242 Ca -0.00 -0.57 -0.01 0.00 -2.81 0.00 0.00 60.65 57.26 1tox h LYS 242 Cb 0.51 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1tox h LYS 242 CO 0.03 1.24 -0.28 0.00 -2.81 0.00 0.00 179.45 177.63 1tox h ALA 243 N 0.40 -0.63 -1.00 5.00 0.00 -0.71 -0.26 119.26 122.06 1tox h ALA 243 Ca -0.23 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.65 1tox h ALA 243 Cb 2.05 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 20.14 1tox h ALA 243 CO 0.20 -0.88 0.64 0.87 0.00 0.00 0.00 179.25 180.09 1tox h LYS 244 N -0.63 1.10 -0.29 0.00 1.57 -1.46 0.55 116.57 117.40 1tox h LYS 244 Ca -0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1tox h LYS 244 Cb 0.55 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1tox h LYS 244 CO -0.01 0.73 0.18 1.96 -0.57 0.00 0.00 179.45 181.74 1tox h GLN 245 N 1.13 0.36 -0.38 3.15 1.08 -1.27 0.42 115.11 119.61 1tox h GLN 245 Ca 0.45 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.57 1tox h GLN 245 Cb 0.24 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1tox h GLN 245 CO -0.19 0.24 0.02 -0.92 -0.95 0.00 0.00 178.83 177.03 1tox h TYR 246 N 0.37 0.71 -0.45 2.96 3.20 -0.23 -3.02 116.97 120.52 1tox h TYR 246 Ca 0.11 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1tox h TYR 246 Cb -0.02 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1tox h TYR 246 CO -0.07 0.73 0.26 -0.07 -1.64 0.00 0.00 178.16 177.37 1tox h LEU 247 N 0.48 0.53 -0.77 2.82 3.38 -0.61 0.91 115.31 122.04 1tox h LEU 247 Ca 0.11 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1tox h LEU 247 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1tox h LEU 247 CO 0.02 0.42 -0.36 -0.33 0.09 0.00 0.00 178.44 178.27 1tox h GLU 248 N 0.61 0.50 -0.04 1.13 5.08 -0.80 0.21 114.58 121.27 1tox h GLU 248 Ca 0.16 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 1tox h GLU 248 Cb -0.00 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.25 1tox h GLU 248 CO -0.03 0.79 -0.82 0.93 -1.00 0.00 0.00 179.01 178.89 1tox h GLU 249 N 0.42 0.62 -0.45 2.33 5.08 -1.30 -2.22 114.58 119.07 1tox h GLU 249 Ca 0.04 -0.62 0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1tox h GLU 249 Cb 0.83 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1tox h GLU 249 CO 0.07 1.22 0.20 0.35 -1.00 0.00 0.00 179.01 179.86 1tox h PHE 250 N 0.26 0.37 0.07 4.33 3.57 -0.55 -1.32 116.94 123.66 1tox h PHE 250 Ca -0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1tox h PHE 250 Cb 1.48 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 1tox h PHE 250 CO 0.11 0.17 -0.24 1.25 -2.23 0.00 0.00 178.31 177.37 1tox h HIS 251 N 0.40 -0.64 -0.65 0.41 2.76 -0.55 -0.07 115.15 116.80 1tox h HIS 251 Ca 0.20 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 1tox h HIS 251 Cb 0.14 0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.32 1tox h HIS 251 CO -0.12 -0.34 0.33 0.37 -1.30 0.00 0.00 177.93 176.88 1tox h GLN 252 N -0.42 0.59 -0.54 5.26 4.15 -1.14 -0.24 115.11 122.76 1tox h GLN 252 Ca 0.04 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1tox h GLN 252 Cb 0.46 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1tox h GLN 252 CO -0.17 0.39 0.06 1.15 -1.93 0.00 0.00 178.83 178.33 1tox h THR 253 N 0.60 1.26 0.00 2.39 2.02 -0.94 -3.08 112.91 115.16 1tox h THR 253 Ca 0.31 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 1tox h THR 253 Cb 0.26 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1tox h THR 253 CO -0.22 0.36 -0.44 0.00 0.37 0.00 0.00 175.52 175.59 1tox h ALA 254 N 0.98 1.19 0.00 6.16 0.00 -0.39 -2.97 119.26 124.23 1tox h ALA 254 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1tox h ALA 254 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tox h ALA 254 CO 0.02 0.55 0.00 -0.11 0.00 0.00 0.00 179.25 179.71 1tox n LEU 255 N -3.90 0.00 0.06 0.00 7.94 -0.16 -2.47 117.00 118.47 1tox n LEU 255 Ca -0.01 0.49 -0.06 0.00 -1.11 0.00 0.00 56.01 55.32 1tox n LEU 255 Cb 0.48 -0.49 -0.10 0.00 0.53 0.00 0.00 43.42 43.84 1tox n LEU 255 CO 0.39 -0.19 0.09 -0.33 -1.11 0.00 0.00 177.39 176.24 1tox h GLU 256 N 0.00 0.00 -6.42 1.96 4.39 -1.58 -3.42 114.58 109.52 1tox h GLU 256 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 1tox h GLU 256 Cb 0.30 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.02 1tox h GLU 256 CO 0.00 0.83 0.54 1.58 -1.16 0.00 0.00 179.01 180.80 1tox n HIS 257 N -3.27 1.81 -0.32 4.33 -0.00 -1.03 -4.85 115.22 111.88 1tox n HIS 257 Ca -0.02 0.50 0.22 0.00 0.46 0.00 0.00 57.72 58.89 1tox n HIS 257 Cb 0.92 -2.40 0.50 0.00 -0.12 0.00 0.00 29.99 28.89 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 4.57 0.39 0.00 1.57 0.11 -1.90 -1.11 132.00 135.63 1tox h PRO 258 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1tox h PRO 258 Cb 1.30 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1tox h PRO 258 CO 0.78 0.26 -0.15 0.93 -0.21 0.00 0.00 178.00 179.62 1tox h GLU 259 N 0.40 0.00 -0.46 1.05 4.39 -1.94 -3.00 114.58 115.03 1tox h GLU 259 Ca 0.59 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.18 1tox h GLU 259 Cb 1.48 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.06 1tox h GLU 259 CO -0.29 0.15 0.08 1.28 -1.16 0.00 0.00 179.01 179.06 1tox n LEU 260 N -3.67 4.79 -0.05 1.33 4.77 -0.42 -4.75 117.00 119.00 1tox n LEU 260 Ca -0.02 -3.23 -0.11 0.00 -0.03 0.00 0.00 56.01 52.62 1tox n LEU 260 Cb 0.27 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1tox n LEU 260 CO 0.31 0.83 0.84 0.77 -1.33 0.00 0.00 177.39 178.81 1tox h SER 261 N 2.05 0.26 -0.77 -1.43 4.64 -1.54 -1.02 113.55 115.74 1tox h SER 261 Ca 0.14 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1tox h SER 261 Cb 1.82 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.81 1tox h SER 261 CO 0.45 0.37 0.50 -0.33 -0.87 0.00 0.00 176.83 176.94 1tox h GLU 262 N 0.14 1.02 -0.53 4.77 3.07 -1.86 -2.19 114.58 118.99 1tox h GLU 262 Ca 0.06 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1tox h GLU 262 Cb 0.20 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1tox h GLU 262 CO -0.00 0.69 0.26 1.25 -1.40 0.00 0.00 179.01 179.81 1tox h LEU 263 N 1.04 0.67 -1.04 1.33 5.85 -1.85 -0.09 115.31 121.22 1tox h LEU 263 Ca 0.28 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1tox h LEU 263 Cb -0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1tox h LEU 263 CO -0.06 0.57 0.09 0.50 -0.34 0.00 0.00 178.44 179.20 1tox h LYS 264 N 0.75 0.77 0.11 1.25 3.64 -0.57 -1.72 116.57 120.80 1tox h LYS 264 Ca 0.19 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1tox h LYS 264 Cb 0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1tox h LYS 264 CO -0.03 0.72 -0.05 1.15 -2.27 0.00 0.00 179.45 178.97 1tox h THR 265 N 0.74 0.95 0.00 1.00 2.02 -0.97 -3.16 112.91 113.50 1tox h THR 265 Ca 0.16 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1tox h THR 265 Cb 0.32 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1tox h THR 265 CO 0.00 0.27 -0.05 -0.37 0.37 0.00 0.00 175.52 175.74 1tox h VAL 266 N -0.87 0.25 -0.56 3.16 -1.51 -1.07 -2.85 116.25 112.80 1tox h VAL 266 Ca -0.02 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1tox h VAL 266 Cb 0.55 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1tox h VAL 266 CO 0.03 0.05 0.00 0.35 -1.23 0.00 0.00 177.57 176.76 1tox n THR 267 N -3.35 0.78 0.06 7.19 -2.24 -0.65 -4.62 114.28 111.45 1tox n THR 267 Ca -0.02 -0.89 -0.08 0.00 -2.27 0.00 0.00 64.05 60.79 1tox n THR 267 Cb 0.19 0.71 0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 4.17 0.39 0.00 3.38 0.00 -1.46 -3.40 103.07 106.14 1tox h GLY 268 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 47.33 46.51 1tox h GLY 268 CO 0.00 0.46 -1.90 2.41 0.00 0.00 0.00 176.54 177.51 1tox n THR 269 N -3.85 1.52 -1.67 4.70 -1.04 -1.26 -4.91 114.28 107.76 1tox n THR 269 Ca -0.03 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 1tox n THR 269 Cb 0.67 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 67.10 1tox n THR 269 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1tox s ASN 270 N -6.93 6.10 0.53 8.00 3.84 -1.26 -4.86 114.94 120.36 1tox s ASN 270 Ca -0.34 2.35 0.35 0.00 0.21 0.00 0.00 52.86 55.43 1tox s ASN 270 Cb 0.10 -2.52 1.90 0.00 -0.55 0.00 0.00 41.25 40.18 1tox s ASN 270 CO 0.47 -1.38 2.07 1.55 -2.79 0.00 0.00 177.10 177.01 1tox h PRO 271 N 12.18 0.00 0.00 0.43 0.13 -1.91 -1.78 132.00 141.05 1tox h PRO 271 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1tox h PRO 271 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1tox h PRO 271 CO 0.95 0.00 -0.21 0.28 -0.23 0.00 0.00 178.00 178.79 1tox h VAL 272 N 0.00 0.55 -0.69 1.56 2.07 -1.95 -2.76 116.25 115.04 1tox h VAL 272 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1tox h VAL 272 Cb 0.04 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1tox h VAL 272 CO 0.00 0.20 0.00 0.49 0.02 0.00 0.00 177.57 178.28 1tox n PHE 273 N -3.42 1.39 -1.36 1.57 3.72 -0.67 -4.35 117.46 114.33 1tox n PHE 273 Ca -0.00 -0.58 -0.31 0.00 -0.05 0.00 0.00 57.45 56.51 1tox n PHE 273 Cb 0.40 -0.18 0.09 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.62 2.19 0.43 4.37 0.00 -1.04 -4.87 121.76 121.22 1tox s ALA 274 Ca 0.52 0.09 0.14 0.00 0.00 0.00 0.00 51.96 52.70 1tox s ALA 274 Cb 0.32 -3.21 1.03 0.00 0.00 0.00 0.00 23.12 21.26 1tox s ALA 274 CO 0.28 -1.77 1.98 0.78 0.00 0.00 0.00 175.76 177.03 1tox h GLY 275 N -1.13 0.57 1.72 0.00 0.00 -1.92 -0.13 103.07 102.18 1tox h GLY 275 Ca -0.45 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1tox h GLY 275 CO 0.54 0.10 -0.16 0.00 0.00 0.00 0.00 176.54 177.03 1tox h ALA 276 N 1.70 1.36 0.01 3.60 0.00 -1.93 0.12 119.26 124.12 1tox h ALA 276 Ca 0.27 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1tox h ALA 276 Cb 0.54 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1tox h ALA 276 CO -0.07 0.44 -1.01 -0.91 0.00 0.00 0.00 179.25 177.69 1tox h ASN 277 N 0.32 0.72 -0.30 0.00 2.35 -1.34 0.21 115.58 117.54 1tox h ASN 277 Ca 0.06 -0.58 -0.04 0.00 -0.55 0.00 0.00 56.30 55.18 1tox h ASN 277 Cb 0.47 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1tox h ASN 277 CO 0.03 1.39 0.02 1.88 -1.65 0.00 0.00 177.43 179.09 1tox h TYR 278 N 0.31 0.56 -0.74 1.19 -1.99 -1.14 -0.87 116.97 114.28 1tox h TYR 278 Ca -0.11 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.50 1tox h TYR 278 Cb 1.65 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 40.20 1tox h TYR 278 CO 0.08 0.63 0.32 0.00 -0.00 0.00 0.00 178.16 179.20 1tox h ALA 279 N 0.85 1.16 -0.41 3.88 0.00 -0.77 0.14 119.26 124.11 1tox h ALA 279 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1tox h ALA 279 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1tox h ALA 279 CO 0.01 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.94 1tox h ALA 280 N 1.28 0.54 0.52 0.00 0.00 -0.78 -2.31 119.26 118.51 1tox h ALA 280 Ca 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1tox h ALA 280 Cb 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1tox h ALA 280 CO -0.03 0.26 -0.25 2.35 0.00 0.00 0.00 179.25 181.58 1tox h TRP 281 N 0.52 -0.64 -0.77 0.00 2.91 -0.64 -2.38 115.95 114.95 1tox h TRP 281 Ca 0.12 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.29 1tox h TRP 281 Cb 0.37 0.21 -0.11 0.00 -0.51 0.00 0.00 29.16 29.13 1tox h TRP 281 CO 0.03 -0.35 0.27 0.00 -1.03 0.00 0.00 178.44 177.35 1tox h ALA 282 N -0.38 1.08 -0.26 2.65 0.00 -0.74 0.24 119.26 121.84 1tox h ALA 282 Ca -0.07 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1tox h ALA 282 Cb 0.58 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tox h ALA 282 CO 0.12 -0.28 -0.52 -0.39 0.00 0.00 0.00 179.25 178.17 1tox h VAL 283 N 0.37 1.29 -0.59 0.00 -1.51 -1.43 -1.99 116.25 112.39 1tox h VAL 283 Ca 0.44 -1.73 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1tox h VAL 283 Cb 0.73 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 31.50 1tox h VAL 283 CO -0.47 0.55 0.31 -1.13 -1.23 0.00 0.00 177.57 175.61 1tox h ASN 284 N 0.59 0.72 -0.02 4.19 -0.00 -0.52 -0.68 115.58 119.86 1tox h ASN 284 Ca 0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.26 1tox h ASN 284 Cb 1.10 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 39.24 1tox h ASN 284 CO 0.11 0.59 -0.01 0.58 -0.00 0.00 0.00 177.43 178.70 1tox h VAL 285 N 0.82 1.36 -0.81 2.57 2.07 -0.77 -2.97 116.25 118.52 1tox h VAL 285 Ca 0.21 -1.09 0.13 0.00 0.82 0.00 0.00 66.70 66.77 1tox h VAL 285 Cb 0.03 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 1tox h VAL 285 CO -0.03 0.29 0.53 0.00 0.02 0.00 0.00 177.57 178.37 1tox h ALA 286 N 0.55 1.91 -0.08 1.67 0.00 -0.95 -2.24 119.26 120.12 1tox h ALA 286 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1tox h ALA 286 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1tox h ALA 286 CO 0.00 -0.11 -0.56 1.96 0.00 0.00 0.00 179.25 180.55 1tox h GLN 287 N 0.60 0.24 -0.00 0.00 4.20 -1.10 -3.32 115.11 115.74 1tox h GLN 287 Ca 0.39 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1tox h GLN 287 Cb 0.67 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1tox h GLN 287 CO -0.15 0.73 -0.76 1.33 -0.67 0.00 0.00 178.83 179.31 1tox n VAL 288 N -3.91 0.00 -3.54 -0.54 0.24 -0.89 -4.88 118.33 104.81 1tox n VAL 288 Ca -0.02 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.89 1tox n VAL 288 Cb 0.58 0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 33.50 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 -2.99 5.28 0.46 1.34 -1.09 -0.93 -5.00 121.20 118.27 1tox s ILE 289 Ca 0.10 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.71 1tox s ILE 289 Cb 0.17 -3.60 0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1tox s ILE 289 CO 0.79 0.17 0.30 -0.90 -1.23 0.00 0.00 174.94 174.07 1tox n ASP 290 N 5.12 2.59 -0.04 3.58 5.75 -1.26 -4.44 116.55 127.85 1tox n ASP 290 Ca -0.13 -2.65 -0.08 0.00 -0.01 0.00 0.00 54.79 51.93 1tox n ASP 290 Cb 0.51 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 1tox n ASP 290 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1tox h SER 291 N 0.62 -0.55 -0.38 -1.12 4.64 -1.98 -2.08 113.55 112.70 1tox h SER 291 Ca -0.30 0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1tox h SER 291 Cb 1.08 0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 1tox h SER 291 CO 0.48 -0.21 -0.17 1.05 -0.87 0.00 0.00 176.83 177.11 1tox h GLU 292 N -0.17 0.86 0.28 4.77 4.11 -1.99 -2.75 114.58 119.69 1tox h GLU 292 Ca 0.13 -0.33 -0.01 0.00 0.07 0.00 0.00 59.36 59.22 1tox h GLU 292 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1tox h GLU 292 CO -0.33 0.96 -0.13 1.15 0.07 0.00 0.00 179.01 180.73 1tox h THR 293 N 0.75 0.75 -0.51 -1.06 2.02 -1.85 -2.86 112.91 110.16 1tox h THR 293 Ca 0.11 -0.15 0.15 0.00 0.77 0.00 0.00 66.41 67.29 1tox h THR 293 Cb 0.70 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1tox h THR 293 CO 0.05 0.03 0.46 0.00 0.37 0.00 0.00 175.52 176.44 1tox h ALA 294 N 0.25 2.31 -0.00 6.16 0.00 -1.32 -0.79 119.26 125.87 1tox h ALA 294 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tox h ALA 294 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tox h ALA 294 CO 0.06 -0.73 -0.64 -0.25 0.00 0.00 0.00 179.25 177.70 1tox n ASP 295 N -3.94 0.81 -4.10 0.00 8.00 -1.04 -4.74 116.55 111.54 1tox n ASP 295 Ca 0.10 -0.64 -0.32 0.00 0.71 0.00 0.00 54.79 54.63 1tox n ASP 295 Cb 0.67 0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 42.11 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 -2.92 3.25 0.17 -2.24 3.84 -0.30 -5.02 114.94 111.73 1tox s ASN 296 Ca 0.12 -0.73 -0.14 0.00 0.21 0.00 0.00 52.86 52.32 1tox s ASN 296 Cb 0.17 -1.45 0.06 0.00 -0.55 0.00 0.00 41.25 39.49 1tox s ASN 296 CO 0.73 -0.03 1.82 0.25 -2.79 0.00 0.00 177.10 177.07 1tox h LEU 297 N 7.93 0.64 -0.08 3.21 6.46 -1.87 -0.17 115.31 131.42 1tox h LEU 297 Ca -0.41 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.34 1tox h LEU 297 Cb 1.13 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 1tox h LEU 297 CO 0.60 0.49 -0.14 -0.08 -0.62 0.00 0.00 178.44 178.69 1tox h GLU 298 N 0.72 -0.19 -0.47 1.25 4.57 -1.95 -0.13 114.58 118.39 1tox h GLU 298 Ca 0.19 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1tox h GLU 298 Cb -0.04 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1tox h GLU 298 CO -0.04 -0.12 0.30 0.87 -1.18 0.00 0.00 179.01 178.84 1tox h LYS 299 N -0.19 0.60 -0.38 1.92 1.57 -1.79 -0.84 116.57 117.46 1tox h LYS 299 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1tox h LYS 299 Cb 0.30 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1tox h LYS 299 CO -0.20 0.39 0.20 1.15 -0.57 0.00 0.00 179.45 180.42 1tox h THR 300 N 0.61 1.16 -0.42 -0.16 2.02 -0.83 -1.13 112.91 114.16 1tox h THR 300 Ca 0.18 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1tox h THR 300 Cb -0.04 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1tox h THR 300 CO -0.05 0.16 0.21 0.74 0.37 0.00 0.00 175.52 176.95 1tox h THR 301 N 0.48 1.17 -0.76 3.16 2.02 -0.71 0.74 112.91 119.01 1tox h THR 301 Ca 0.13 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.87 1tox h THR 301 Cb 0.08 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1tox h THR 301 CO -0.02 0.19 0.47 0.00 0.37 0.00 0.00 175.52 176.53 1tox h ALA 302 N 1.06 1.02 -0.18 6.16 0.00 -1.08 0.45 119.26 126.68 1tox h ALA 302 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1tox h ALA 302 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1tox h ALA 302 CO -0.02 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 1tox h ALA 303 N 1.35 0.24 -0.36 0.00 0.00 -0.64 -3.23 119.26 116.61 1tox h ALA 303 Ca 0.32 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1tox h ALA 303 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tox h ALA 303 CO -0.14 -0.03 -0.36 -0.07 0.00 0.00 0.00 179.25 178.64 1tox h LEU 304 N 0.06 0.91 -0.43 0.00 3.38 -0.57 -3.20 115.31 115.46 1tox h LEU 304 Ca 0.05 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1tox h LEU 304 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1tox h LEU 304 CO 0.01 1.17 0.06 -1.54 0.09 0.00 0.00 178.44 178.23 1tox n SER 305 N -4.06 0.17 -0.62 -0.43 3.41 0.16 -1.63 113.62 110.62 1tox n SER 305 Ca -0.02 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 1tox n SER 305 Cb 0.53 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 64.03 1tox n SER 305 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1tox n ILE 306 N -1.70 0.44 -3.37 -1.33 -5.35 -1.21 -4.99 119.36 101.84 1tox n ILE 306 Ca -0.00 -0.72 -0.33 0.00 -0.27 0.00 0.00 62.75 61.42 1tox n ILE 306 Cb 0.07 0.93 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 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 -1.04 4.22 0.58 7.28 1.43 -0.64 -5.09 118.68 125.42 1tox s LEU 307 Ca 0.20 1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1tox s LEU 307 Cb 0.12 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.79 1tox s LEU 307 CO 0.17 -0.03 0.86 -2.16 0.23 0.00 0.00 176.35 175.42 1tox s PRO 308 N -2.55 2.66 0.00 1.29 0.04 -1.26 -4.50 135.00 130.69 1tox s PRO 308 Ca 0.45 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1tox s PRO 308 Cb -0.12 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1tox s PRO 308 CO 0.20 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1tox n GLY 309 N -2.52 0.72 0.19 0.56 0.00 -1.26 -4.89 105.19 97.99 1tox n GLY 309 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 1.12 0.00 -0.61 2.10 -1.97 -2.65 117.51 115.50 1tox h ILE 310 Ca 0.00 -1.29 0.00 0.00 1.08 0.00 0.00 64.86 64.65 1tox h ILE 310 Cb 0.00 1.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1tox h ILE 310 CO 0.00 0.35 0.00 0.61 -1.08 0.00 0.00 178.15 178.03 1tox n GLY 311 N -0.31 -1.06 0.18 8.18 0.00 -1.26 -1.75 105.19 109.17 1tox n GLY 311 Ca -0.02 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1tox n GLY 311 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1tox h SER 312 N 0.00 0.60 1.25 1.61 0.02 -1.67 -0.93 113.55 114.43 1tox h SER 312 Ca 0.00 -0.47 -0.06 0.00 -0.84 0.00 0.00 61.79 60.42 1tox h SER 312 Cb 0.18 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1tox h SER 312 CO 0.00 0.94 -0.77 1.62 -1.14 0.00 0.00 176.83 177.48 1tox h VAL 313 N 0.26 0.28 0.00 2.27 3.04 -1.54 -3.30 116.25 117.26 1tox h VAL 313 Ca 0.04 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.27 1tox h VAL 313 Cb 0.76 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1tox h VAL 313 CO 0.05 0.16 -0.53 0.24 -1.01 0.00 0.00 177.57 176.48 1tox h MET 314 N 0.00 0.00 -2.99 4.17 2.86 -1.38 -3.42 114.93 114.17 1tox h MET 314 Ca -0.04 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 1tox h MET 314 Cb 1.21 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.92 1tox h MET 314 CO 0.02 0.00 -0.29 0.41 1.06 0.00 0.00 176.91 178.11 1tox n GLY 315 N 1.20 0.28 3.29 8.32 0.00 -0.46 -4.09 105.19 113.74 1tox n GLY 315 Ca 0.02 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.09 3.41 0.01 -0.61 1.01 -0.60 0.24 121.20 121.56 1tox s ILE 316 Ca 0.24 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 1tox s ILE 316 Cb -0.11 -2.67 0.08 0.00 0.01 0.00 0.00 42.46 39.77 1tox s ILE 316 CO 0.30 0.25 0.69 0.00 0.00 0.00 0.00 174.94 176.18 1tox s ALA 317 N 1.44 -1.73 -1.82 9.38 0.00 -0.67 -4.69 121.76 123.67 1tox s ALA 317 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1tox s ALA 317 Cb -0.16 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1tox s ALA 317 CO -0.02 -0.50 0.00 -0.25 0.00 0.00 0.00 175.76 174.99 1tox n ASP 318 N 0.45 -4.89 0.00 0.00 8.00 -1.26 -2.17 116.55 116.67 1tox n ASP 318 Ca -0.17 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1tox n ASP 318 Cb 0.60 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 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 -0.50 0.73 3.14 0.44 0.00 -1.26 -5.06 105.19 102.68 1tox n GLY 319 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 0.97 -0.51 4.61 0.00 -0.92 -5.08 121.76 118.50 1tox s ALA 320 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 1tox s ALA 320 Cb 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1tox s ALA 320 CO 0.00 0.03 0.70 0.08 0.00 0.00 0.00 175.76 176.57 1tox s VAL 321 N -1.74 4.77 0.04 0.00 1.01 -1.26 -1.66 120.40 121.56 1tox s VAL 321 Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1tox s VAL 321 Cb -0.07 -4.35 -0.34 0.00 0.00 0.00 0.00 36.38 31.62 1tox s VAL 321 CO 0.01 -0.87 1.04 0.45 0.00 0.00 0.00 175.10 175.74 1tox h HIS 322 N 9.06 0.85 -2.30 5.22 -0.00 -0.48 -3.39 115.15 124.11 1tox h HIS 322 Ca -0.27 -0.62 -0.63 0.00 -0.00 0.00 0.00 60.37 58.85 1tox h HIS 322 Cb 1.09 -0.04 -0.14 0.00 -0.00 0.00 0.00 27.41 28.33 1tox h HIS 322 CO 0.79 1.48 0.85 -1.01 -0.00 0.00 0.00 177.93 180.03 1tox s HIS 323 N -2.63 2.72 -0.13 2.45 3.76 -1.21 -4.72 115.29 115.53 1tox s HIS 323 Ca -0.08 -0.76 0.15 0.00 -0.15 0.00 0.00 55.06 54.22 1tox s HIS 323 Cb 0.05 -4.40 0.32 0.00 1.11 0.00 0.00 32.58 29.66 1tox s HIS 323 CO 0.93 -1.71 1.16 0.27 -0.85 0.00 0.00 174.74 174.54 1tox n ASN 324 N 7.80 1.66 -4.22 1.40 0.23 -1.26 -4.83 115.26 116.04 1tox n ASN 324 Ca 0.11 -3.12 -0.22 0.00 -0.53 0.00 0.00 54.58 50.81 1tox n ASN 324 Cb 0.48 -0.42 -0.13 0.00 -2.08 0.00 0.00 39.78 37.63 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 -2.30 1.43 0.32 5.53 -4.23 -1.26 -4.98 115.64 110.14 1tox s THR 325 Ca 0.30 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1tox s THR 325 Cb 0.29 -1.30 0.25 0.00 1.34 0.00 0.00 72.50 73.08 1tox s THR 325 CO -0.03 -0.03 1.97 -0.33 -0.54 0.00 0.00 174.62 175.66 1tox h GLU 326 N 4.47 0.93 0.39 3.99 3.07 -1.95 -0.77 114.58 124.70 1tox h GLU 326 Ca -0.42 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.35 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 0.41 0.64 -0.19 1.49 -1.40 0.00 0.00 179.01 179.97 1tox h GLU 327 N 0.95 -0.51 -0.27 2.33 4.57 -1.95 -1.69 114.58 118.01 1tox h GLU 327 Ca 0.25 0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.35 1tox h GLU 327 Cb -0.06 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1tox h GLU 327 CO -0.05 -0.28 -0.30 0.82 -1.18 0.00 0.00 179.01 178.02 1tox h ILE 328 N -0.63 1.28 -0.15 2.32 2.04 -1.93 -2.34 117.51 118.10 1tox h ILE 328 Ca -0.05 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 1tox h ILE 328 Cb 0.47 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1tox h ILE 328 CO 0.09 0.45 0.04 0.58 0.00 0.00 0.00 178.15 179.30 1tox h VAL 329 N 0.49 1.20 -0.99 1.67 2.07 -1.16 -1.64 116.25 117.89 1tox h VAL 329 Ca 0.06 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1tox h VAL 329 Cb 0.77 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 1tox h VAL 329 CO 0.06 0.19 0.64 0.00 0.02 0.00 0.00 177.57 178.48 1tox h ALA 330 N 0.84 1.44 -0.15 1.67 0.00 -1.15 -1.35 119.26 120.56 1tox h ALA 330 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tox h ALA 330 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tox h ALA 330 CO 0.00 0.40 0.04 1.96 0.00 0.00 0.00 179.25 181.66 1tox h GLN 331 N 1.13 0.23 -0.11 0.00 4.20 -1.18 -0.48 115.11 118.91 1tox h GLN 331 Ca 0.44 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.11 1tox h GLN 331 Cb 0.21 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1tox h GLN 331 CO -0.18 0.36 0.02 1.03 -0.67 0.00 0.00 178.83 179.39 1tox h SER 332 N 0.05 0.00 -0.14 1.46 0.87 -0.59 -1.42 113.55 113.79 1tox h SER 332 Ca 0.05 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1tox h SER 332 Cb 0.23 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1tox h SER 332 CO -0.00 0.02 0.08 0.40 -0.53 0.00 0.00 176.83 176.80 1tox h ILE 333 N 0.06 1.07 -0.86 2.23 2.04 -1.28 -2.25 117.51 118.53 1tox h ILE 333 Ca 0.05 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.83 1tox h ILE 333 Cb 0.04 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 1tox h ILE 333 CO -0.07 0.07 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1tox h ALA 334 N 1.00 1.24 -0.14 1.87 0.00 -0.93 -1.18 119.26 121.12 1tox h ALA 334 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1tox h ALA 334 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1tox h ALA 334 CO -0.01 0.10 0.02 1.25 0.00 0.00 0.00 179.25 180.61 1tox h LEU 335 N 0.80 0.22 -1.21 0.00 5.85 -1.04 -2.26 115.31 117.67 1tox h LEU 335 Ca 0.42 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1tox h LEU 335 Cb 0.42 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1tox h LEU 335 CO -0.26 0.43 -0.32 0.77 -0.34 0.00 0.00 178.44 178.72 1tox h SER 336 N 0.01 0.00 -0.46 1.25 4.64 -1.22 -1.47 113.55 116.29 1tox h SER 336 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1tox h SER 336 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1tox h SER 336 CO 0.00 0.32 0.10 -1.28 -0.87 0.00 0.00 176.83 175.10 1tox h SER 337 N 0.00 0.71 -0.55 4.97 0.87 -1.06 0.79 113.55 119.28 1tox h SER 337 Ca -0.00 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 1tox h SER 337 Cb 0.73 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1tox h SER 337 CO 0.04 0.77 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.02 1tox h LEU 338 N 0.62 0.96 -0.32 2.23 -0.00 -0.95 -2.17 115.31 115.69 1tox h LEU 338 Ca 0.14 -0.32 -0.11 0.00 -0.00 0.00 0.00 57.88 57.60 1tox h LEU 338 Cb 0.34 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1tox h LEU 338 CO 0.00 1.05 -0.24 0.24 -0.00 0.00 0.00 178.44 179.50 1tox h MET 339 N 0.86 0.73 -0.94 1.13 2.86 -1.18 -2.42 114.93 115.97 1tox h MET 339 Ca 0.15 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1tox h MET 339 Cb 0.56 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1tox h MET 339 CO 0.03 0.97 0.61 0.28 1.06 0.00 0.00 176.91 179.86 1tox h VAL 340 N 0.50 1.15 -0.44 -2.22 2.07 -0.77 0.16 116.25 116.70 1tox h VAL 340 Ca 0.06 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1tox h VAL 340 Cb 0.79 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1tox h VAL 340 CO 0.06 0.21 0.13 0.00 0.02 0.00 0.00 177.57 178.00 1tox h ALA 341 N 1.39 1.41 -0.08 1.67 0.00 -1.27 -1.49 119.26 120.90 1tox h ALA 341 Ca 0.38 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1tox h ALA 341 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1tox h ALA 341 CO -0.13 0.43 -0.74 1.96 0.00 0.00 0.00 179.25 180.77 1tox h GLN 342 N 0.63 0.45 -0.03 0.00 1.08 -0.62 -3.28 115.11 113.33 1tox h GLN 342 Ca 0.15 -0.37 -0.17 0.00 -1.45 0.00 0.00 58.65 56.81 1tox h GLN 342 Cb 0.20 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1tox h GLN 342 CO -0.01 1.01 -0.75 0.00 -0.95 0.00 0.00 178.83 178.13 1tox h ALA 343 N 0.89 0.67 -0.51 3.87 0.00 -0.40 -3.36 119.26 120.43 1tox h ALA 343 Ca -0.03 -0.64 0.10 0.00 0.00 0.00 0.00 54.91 54.34 1tox h ALA 343 Cb 1.33 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1tox h ALA 343 CO 0.13 0.83 0.03 0.82 0.00 0.00 0.00 179.25 181.06 1tox h ILE 344 N 0.14 0.62 0.00 0.00 2.04 -1.34 -0.08 117.51 118.90 1tox h ILE 344 Ca -0.03 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1tox h ILE 344 Cb 1.32 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1tox h ILE 344 CO 0.11 0.03 0.00 -0.81 0.00 0.00 0.00 178.15 177.48 1tox n PRO 345 N -5.21 0.24 0.01 2.37 -0.04 -1.26 -0.56 135.00 130.56 1tox n PRO 345 Ca 0.06 0.31 -0.19 0.00 -0.04 0.00 0.00 63.50 63.64 1tox n PRO 345 Cb 0.28 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 31.75 1tox n PRO 345 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1tox h LEU 346 N 0.00 0.37 -0.11 1.53 3.38 -1.45 -2.56 115.31 116.48 1tox h LEU 346 Ca 0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1tox h LEU 346 Cb 0.58 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1tox h LEU 346 CO 0.00 1.71 0.00 1.33 0.09 0.00 0.00 178.44 181.57 1tox n VAL 347 N -3.43 0.00 -1.31 1.22 0.24 -0.13 -1.19 118.33 113.74 1tox n VAL 347 Ca -0.28 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1tox n VAL 347 Cb 1.05 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.62 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 0.24 2.49 2.97 7.63 0.00 0.28 -4.27 105.19 114.52 1tox n GLY 348 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.12 1tox n GLY 348 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tox s GLU 349 N 3.53 0.56 0.00 1.61 1.03 -1.24 -4.82 118.70 119.37 1tox s GLU 349 Ca 0.00 -0.25 0.00 0.00 0.03 0.00 0.00 54.97 54.75 1tox s GLU 349 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 34.13 33.38 1tox s GLU 349 CO 0.00 -0.78 0.00 1.47 -1.33 0.00 0.00 175.26 174.62 1tox n LEU 350 N 3.89 0.00 -3.24 1.83 -0.00 -1.26 -4.49 117.00 113.73 1tox n LEU 350 Ca 0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.86 1tox n LEU 350 Cb 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.94 1tox n LEU 350 CO -0.05 0.00 -0.28 0.55 -0.00 0.00 0.00 177.39 177.61 1tox n VAL 351 N 0.00 -0.85 -0.06 1.47 3.14 -1.26 -5.06 118.33 115.71 1tox n VAL 351 Ca 0.00 -3.65 -0.02 0.00 -2.96 0.00 0.00 64.34 57.72 1tox n VAL 351 Cb 0.00 -1.67 -0.01 0.00 -1.06 0.00 0.00 33.84 31.10 1tox n VAL 351 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1tox n ASP 352 N 1.96 -0.15 -4.20 6.55 5.75 -1.26 -2.74 116.55 122.45 1tox n ASP 352 Ca 0.24 0.61 -0.33 0.00 -0.01 0.00 0.00 54.79 55.30 1tox n ASP 352 Cb 0.52 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.33 1tox n ASP 352 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1tox n ILE 353 N -3.12 1.56 0.00 2.12 -6.64 -1.26 -2.09 119.36 109.93 1tox n ILE 353 Ca 0.00 -1.53 0.00 0.00 -1.77 0.00 0.00 62.75 59.45 1tox n ILE 353 Cb 0.04 -2.19 0.00 0.00 -1.44 0.00 0.00 39.64 36.05 1tox n ILE 353 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1tox n GLY 354 N 5.37 -2.15 0.30 3.28 0.00 -1.11 -4.94 105.19 105.94 1tox n GLY 354 Ca 0.46 0.68 -0.00 0.00 0.00 0.00 0.00 46.02 47.16 1tox n GLY 354 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tox h PHE 355 N 0.00 0.72 -0.65 1.61 3.57 -1.58 -2.14 116.94 118.46 1tox h PHE 355 Ca 0.00 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1tox h PHE 355 Cb 0.00 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1tox h PHE 355 CO 0.00 0.57 0.08 0.00 -2.23 0.00 0.00 178.31 176.73 1tox h ALA 356 N 1.50 0.91 0.00 2.41 0.00 -1.74 0.48 119.26 122.83 1tox h ALA 356 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tox h ALA 356 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1tox h ALA 356 CO -0.02 0.66 -0.46 0.00 0.00 0.00 0.00 179.25 179.44 1tox h ALA 357 N 1.07 0.72 -3.00 0.00 0.00 -1.72 -3.34 119.26 112.99 1tox h ALA 357 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1tox h ALA 357 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tox h ALA 357 CO 0.02 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.93 1tox n TYR 358 N -2.37 0.00 0.26 0.00 4.01 -0.83 -4.63 117.16 113.59 1tox n TYR 358 Ca 0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.90 1tox n TYR 358 Cb 0.47 0.00 0.79 0.00 -0.31 0.00 0.00 39.34 40.29 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 0.24 7.72 2.35 -1.78 0.80 115.58 124.90 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 0.00 -0.11 0.15 -1.65 0.00 0.00 177.43 175.82 1tox h PHE 360 N 0.00 -0.30 -0.56 1.19 3.57 -1.12 -0.71 116.94 119.01 1tox h PHE 360 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1tox h PHE 360 Cb 0.08 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1tox h PHE 360 CO 0.00 0.03 0.37 0.28 -2.23 0.00 0.00 178.31 176.76 1tox h VAL 361 N -0.64 1.15 0.20 1.41 2.07 -1.33 -1.08 116.25 118.02 1tox h VAL 361 Ca -0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1tox h VAL 361 Cb 0.46 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1tox h VAL 361 CO 0.05 0.14 -0.14 -0.33 0.02 0.00 0.00 177.57 177.31 1tox h GLU 362 N 0.76 -0.33 0.14 1.57 4.39 -0.92 -2.17 114.58 118.02 1tox h GLU 362 Ca 0.21 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1tox h GLU 362 Cb -0.08 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1tox h GLU 362 CO -0.04 -0.22 -0.07 1.03 -1.16 0.00 0.00 179.01 178.55 1tox h SER 363 N -0.34 -0.16 -0.43 1.42 0.87 -0.95 -2.96 113.55 111.01 1tox h SER 363 Ca -0.01 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1tox h SER 363 Cb 0.30 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1tox h SER 363 CO -0.00 -0.05 0.27 -0.29 -0.53 0.00 0.00 176.83 176.24 1tox h ILE 364 N -0.26 1.12 -0.90 2.23 2.10 -1.21 -1.72 117.51 118.87 1tox h ILE 364 Ca -0.02 -0.26 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 1tox h ILE 364 Cb 0.20 0.49 -0.04 0.00 -1.09 0.00 0.00 36.82 36.38 1tox h ILE 364 CO 0.03 0.13 0.50 0.40 -1.08 0.00 0.00 178.15 178.13 1tox h ILE 365 N 0.60 1.26 -0.18 2.19 2.04 -1.32 -1.18 117.51 120.92 1tox h ILE 365 Ca 0.16 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1tox h ILE 365 Cb -0.04 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1tox h ILE 365 CO -0.03 0.28 0.07 -1.13 0.00 0.00 0.00 178.15 177.34 1tox h ASN 366 N 1.25 0.25 -0.56 1.72 -1.24 -1.16 -2.37 115.58 113.48 1tox h ASN 366 Ca 0.32 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1tox h ASN 366 Cb 0.00 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 1tox h ASN 366 CO -0.05 0.37 0.24 -0.07 -1.29 0.00 0.00 177.43 176.62 1tox h LEU 367 N 0.13 0.80 -0.11 0.34 3.38 -0.97 -1.64 115.31 117.23 1tox h LEU 367 Ca 0.06 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1tox h LEU 367 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1tox h LEU 367 CO -0.00 0.72 -0.04 -0.26 0.09 0.00 0.00 178.44 178.95 1tox h PHE 368 N 0.86 -0.08 -0.95 1.13 -1.00 -1.00 -2.01 116.94 113.89 1tox h PHE 368 Ca 0.20 0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.04 1tox h PHE 368 Cb 0.17 0.05 -0.06 0.00 3.61 0.00 0.00 35.95 39.73 1tox h PHE 368 CO 0.01 -0.06 0.62 1.96 -1.61 0.00 0.00 178.31 179.23 1tox h GLN 369 N -0.01 1.13 0.15 1.51 4.20 -0.88 0.12 115.11 121.32 1tox h GLN 369 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1tox h GLN 369 Cb 0.10 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1tox h GLN 369 CO -0.13 0.75 -0.07 0.28 -0.67 0.00 0.00 178.83 178.99 1tox h VAL 370 N 1.16 0.86 -0.28 -0.54 2.07 -0.88 -1.03 116.25 117.61 1tox h VAL 370 Ca 0.39 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.78 1tox h VAL 370 Cb 0.08 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1tox h VAL 370 CO -0.14 0.00 -0.37 0.58 0.02 0.00 0.00 177.57 177.66 1tox h VAL 371 N -0.20 1.29 -0.68 2.57 2.07 -1.05 -2.34 116.25 117.92 1tox h VAL 371 Ca -0.02 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1tox h VAL 371 Cb 0.15 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1tox h VAL 371 CO 0.03 0.48 0.24 0.45 0.02 0.00 0.00 177.57 178.80 1tox h HIS 372 N 0.52 1.07 -0.32 1.57 -0.00 -0.72 -2.16 115.15 115.11 1tox h HIS 372 Ca 0.05 -0.10 0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1tox h HIS 372 Cb 0.87 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 1tox h HIS 372 CO 0.04 0.85 0.10 -0.97 -0.00 0.00 0.00 177.93 177.94 1tox h ASN 373 N 0.98 0.09 -0.40 2.45 -0.73 -0.91 -0.61 115.58 116.46 1tox h ASN 373 Ca 0.22 0.04 0.07 0.00 1.87 0.00 0.00 56.30 58.50 1tox h ASN 373 Cb 0.26 0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.83 1tox h ASN 373 CO -0.01 0.09 0.06 0.28 -0.37 0.00 0.00 177.43 177.47 1tox h SER 374 N 0.23 -0.04 0.58 1.15 0.02 -1.13 -1.74 113.55 112.62 1tox h SER 374 Ca 0.15 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1tox h SER 374 Cb 0.13 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1tox h SER 374 CO -0.16 0.01 -0.33 1.88 -1.14 0.00 0.00 176.83 177.10 1tox h TYR 375 N 0.18 0.00 0.00 3.45 0.05 -1.00 -2.80 116.97 116.85 1tox h TYR 375 Ca 0.20 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 1tox h TYR 375 Cb 0.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1tox h TYR 375 CO -0.22 0.33 -0.44 -0.91 -1.05 0.00 0.00 178.16 175.87 1tox h ASN 376 N 0.00 0.00 -3.82 3.88 2.35 -0.25 -3.44 115.58 114.29 1tox h ASN 376 Ca -0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 1tox h ASN 376 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1tox h ASN 376 CO 0.04 0.44 0.39 -0.13 -1.65 0.00 0.00 177.43 176.52 1tox s ARG 377 N -3.55 4.66 0.13 0.81 0.52 -0.87 -4.83 118.95 115.83 1tox s ARG 377 Ca 0.00 1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 56.44 1tox s ARG 377 Cb 0.11 -3.06 -0.10 0.00 0.52 0.00 0.00 34.95 32.42 1tox s ARG 377 CO 0.71 0.31 1.69 -2.14 0.02 0.00 0.00 175.30 175.89 1tox s PRO 378 N -1.60 4.17 0.10 3.54 0.02 -1.26 -4.98 135.00 135.00 1tox s PRO 378 Ca 0.46 2.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.84 1tox s PRO 378 Cb -0.25 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1tox s PRO 378 CO 0.32 -0.73 0.23 0.00 -0.33 0.00 0.00 177.00 176.49 1tox s ALA 379 N 1.98 -0.26 -0.10 -1.55 0.00 -1.26 -4.91 121.76 115.66 1tox s ALA 379 Ca 0.75 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 1tox s ALA 379 Cb -0.44 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1tox s ALA 379 CO 0.33 -0.55 0.53 0.71 0.00 0.00 0.00 175.76 176.78 1tox s TYR 380 N -3.87 3.54 0.82 0.00 2.02 -1.26 -5.07 117.35 113.52 1tox s TYR 380 Ca 0.07 0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 57.64 1tox s TYR 380 Cb 0.04 -2.60 0.08 0.00 -0.40 0.00 0.00 41.96 39.09 1tox s TYR 380 CO -0.09 0.18 1.11 -1.12 -1.57 0.00 0.00 175.55 174.06 1tox s SER 381 N 0.55 4.35 0.31 2.29 0.01 -1.26 -4.91 113.70 115.03 1tox s SER 381 Ca 0.29 1.16 -0.29 0.00 1.31 0.00 0.00 55.95 58.42 1tox s SER 381 Cb -0.16 -1.85 -0.13 0.00 0.21 0.00 0.00 66.02 64.09 1tox s SER 381 CO 0.12 -2.04 1.26 -2.65 0.41 0.00 0.00 173.24 170.34 1tox n PRO 382 N -3.46 1.96 -0.32 12.44 -0.02 -1.26 -1.81 135.00 142.53 1tox n PRO 382 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1tox n PRO 382 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.15 1.51 3.83 -1.23 0.00 -0.36 -4.82 105.19 105.26 1tox n GLY 383 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.02 3.45 0.00 1.61 3.76 -0.75 -0.52 115.29 119.82 1tox s HIS 384 Ca 0.00 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 1tox s HIS 384 Cb 0.00 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.84 1tox s HIS 384 CO 0.00 0.64 0.00 1.63 -0.85 0.00 0.00 174.74 176.16 1tox n LYS 385 N 1.70 0.00 -0.51 1.40 4.01 -1.26 -0.58 118.16 122.92 1tox n LYS 385 Ca -0.17 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.65 1tox n LYS 385 Cb 0.54 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 35.27 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 1.57 -2.93 -0.18 -2.24 -1.26 -4.08 114.28 105.16 1tox n THR 386 Ca 0.00 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 1tox n THR 386 Cb 0.00 -0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.94 4.45 0.58 -0.78 -1.52 0.25 -4.80 119.66 115.91 1tox s GLN 387 Ca 0.30 1.05 -0.19 0.00 -1.95 0.00 0.00 55.36 54.57 1tox s GLN 387 Cb 0.23 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.51 1tox s GLN 387 CO 0.08 -0.03 1.17 -2.14 -0.25 0.00 0.00 175.29 174.13 1tox s PRO 388 N 1.06 3.09 -0.26 2.91 0.02 -1.26 -1.22 135.00 139.34 1tox s PRO 388 Ca 0.42 1.73 -0.06 0.00 0.02 0.00 0.00 61.00 63.11 1tox s PRO 388 Cb -0.18 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1tox s PRO 388 CO 0.20 -1.08 0.04 0.12 -0.33 0.00 0.00 177.00 175.94 1tox s PHE 389 N -1.70 3.07 -0.21 6.54 2.19 0.04 -3.44 117.98 124.48 1tox s PHE 389 Ca 0.75 -0.80 -0.04 0.00 0.33 0.00 0.00 56.93 57.18 1tox s PHE 389 Cb -0.28 -2.20 -0.01 0.00 -1.31 0.00 0.00 43.02 39.22 1tox s PHE 389 CO 0.31 -0.50 -0.05 -0.51 1.83 0.00 0.00 175.22 176.30 1tox s LEU 390 N 1.53 2.91 -0.28 6.12 1.43 -1.26 -2.01 118.68 127.11 1tox s LEU 390 Ca 0.05 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 1tox s LEU 390 Cb -0.16 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.46 1tox s LEU 390 CO 0.01 0.01 1.02 -2.28 0.23 0.00 0.00 176.35 175.34 1tox s HIS 391 N 1.30 -0.50 -1.57 0.29 2.46 -0.74 -4.97 115.29 111.56 1tox s HIS 391 Ca 0.04 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.71 1tox s HIS 391 Cb -0.14 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1tox s HIS 391 CO -0.02 -0.24 0.00 -0.25 -2.47 0.00 0.00 174.74 171.76 1tox n ASP 392 N 2.63 -4.14 0.00 9.88 8.00 -1.26 -0.88 116.55 130.78 1tox n ASP 392 Ca -0.14 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1tox n ASP 392 Cb 0.56 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 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 -0.39 0.02 3.93 0.44 0.00 -1.26 -5.04 105.19 102.89 1tox n GLY 393 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.48 -0.14 1.61 2.02 -0.06 -0.30 117.35 121.96 1tox s TYR 394 Ca 0.00 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1tox s TYR 394 Cb 0.00 -1.83 0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1tox s TYR 394 CO 0.00 0.35 0.03 0.00 -1.57 0.00 0.00 175.55 174.36 1tox s ALA 395 N -1.94 0.81 0.09 3.71 0.00 -0.45 -1.79 121.76 122.18 1tox s ALA 395 Ca 0.38 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.00 1tox s ALA 395 Cb -0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1tox s ALA 395 CO 0.30 -0.88 -0.19 0.14 0.00 0.00 0.00 175.76 175.13 1tox s VAL 396 N 1.94 1.56 0.03 0.00 -7.23 -0.85 -1.78 120.40 114.07 1tox s VAL 396 Ca 0.02 -1.44 -0.27 0.00 -1.81 0.00 0.00 61.98 58.48 1tox s VAL 396 Cb -0.15 -1.43 0.09 0.00 0.56 0.00 0.00 36.38 35.46 1tox s VAL 396 CO -0.07 -0.06 0.80 -0.94 -0.31 0.00 0.00 175.10 174.52 1tox s SER 397 N -1.77 -0.44 0.29 4.85 1.04 -0.87 -0.78 113.70 116.02 1tox s SER 397 Ca 0.05 0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.25 1tox s SER 397 Cb -0.10 0.45 -0.10 0.00 0.10 0.00 0.00 66.02 66.37 1tox s SER 397 CO 0.03 -0.70 1.11 0.26 0.98 0.00 0.00 173.24 174.92 1tox s TRP 398 N -3.05 3.54 0.23 5.02 0.52 -1.26 -0.80 118.94 123.13 1tox s TRP 398 Ca 0.02 1.69 -0.07 0.00 0.02 0.00 0.00 56.10 57.76 1tox s TRP 398 Cb -0.01 -3.30 0.19 0.00 -1.15 0.00 0.00 33.47 29.21 1tox s TRP 398 CO -0.08 -0.61 1.84 -0.97 0.02 0.00 0.00 176.95 177.14 1tox h ASN 399 N 3.73 1.11 -5.40 2.95 -1.24 -1.65 -3.42 115.58 111.67 1tox h ASN 399 Ca -0.47 -0.12 -0.15 0.00 0.71 0.00 0.00 56.30 56.27 1tox h ASN 399 Cb 1.21 -0.28 -0.13 0.00 0.73 0.00 0.00 38.32 39.85 1tox h ASN 399 CO 0.67 0.91 -0.43 0.42 -1.29 0.00 0.00 177.43 177.71 1tox s THR 400 N -5.78 0.03 0.24 -3.57 -4.23 -1.26 -5.01 115.64 96.06 1tox s THR 400 Ca -0.13 -1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1tox s THR 400 Cb 0.16 -2.19 0.23 0.00 1.34 0.00 0.00 72.50 72.04 1tox s THR 400 CO 0.83 -0.15 1.91 0.58 -0.54 0.00 0.00 174.62 177.25 1tox h VAL 401 N 2.55 1.24 -0.70 2.29 2.07 -1.89 -2.63 116.25 119.17 1tox h VAL 401 Ca -0.32 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1tox h VAL 401 Cb 1.24 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1tox h VAL 401 CO 0.48 0.23 0.46 -0.08 0.02 0.00 0.00 177.57 178.69 1tox h GLU 402 N 1.27 0.85 -0.79 1.57 4.57 -1.96 -0.94 114.58 119.14 1tox h GLU 402 Ca 0.34 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.52 1tox h GLU 402 Cb -0.14 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.21 1tox h GLU 402 CO -0.07 0.56 0.52 -0.44 -1.18 0.00 0.00 179.01 178.40 1tox h ASP 403 N 0.88 0.80 0.23 1.04 3.32 -1.80 -1.22 116.42 119.67 1tox h ASP 403 Ca 0.27 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1tox h ASP 403 Cb 0.01 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1tox h ASP 403 CO -0.07 0.53 0.00 -1.54 -1.72 0.00 0.00 179.24 176.44 1tox n SER 404 N -4.47 0.00 -4.47 6.45 3.41 -0.36 -4.67 113.62 109.51 1tox n SER 404 Ca 0.11 -0.39 -0.35 0.00 -0.26 0.00 0.00 58.87 57.98 1tox n SER 404 Cb 0.16 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.30 4.00 -0.38 -1.33 1.01 -0.46 -1.52 121.20 120.21 1tox s ILE 405 Ca 0.29 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 1tox s ILE 405 Cb 0.16 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.88 1tox s ILE 405 CO 0.32 0.44 0.21 -0.63 0.00 0.00 0.00 174.94 175.29 1tox s ILE 406 N 0.81 4.46 0.30 2.92 1.01 0.31 -4.94 121.20 126.07 1tox s ILE 406 Ca 0.00 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 1tox s ILE 406 Cb -0.14 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 1tox s ILE 406 CO 0.02 -0.30 0.87 -0.13 0.00 0.00 0.00 174.94 175.40 1tox s ARG 407 N 1.52 4.44 0.31 2.79 0.52 -1.26 -1.98 118.95 125.28 1tox s ARG 407 Ca 0.02 1.15 0.05 0.00 -0.52 0.00 0.00 55.73 56.43 1tox s ARG 407 Cb -0.20 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1tox s ARG 407 CO 0.05 0.28 0.02 -0.08 0.02 0.00 0.00 175.30 175.60 1tox s THR 408 N -1.65 1.33 0.00 0.02 -1.32 -0.32 -4.86 115.64 108.85 1tox s THR 408 Ca 0.49 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1tox s THR 408 Cb -0.17 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1tox s THR 408 CO 0.22 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1tox n GLY 409 N -0.65 0.98 3.32 6.08 0.00 -1.26 -4.69 105.19 108.97 1tox n GLY 409 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.22 1.61 -0.71 -1.24 -4.81 117.98 110.37 1tox s PHE 410 Ca 0.00 0.06 -0.14 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 -0.64 0.30 -0.65 -1.34 0.00 0.00 175.22 172.90 1tox s GLN 411 N -3.12 4.13 0.00 1.99 -0.21 -1.26 -4.02 119.66 117.17 1tox s GLN 411 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1tox s GLN 411 Cb 0.01 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1tox s GLN 411 CO -0.07 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1tox n GLY 412 N 4.10 -0.94 3.70 3.09 0.00 -0.61 -4.95 105.19 109.59 1tox n GLY 412 Ca -0.11 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.98 2.33 0.01 1.61 0.41 -1.26 0.08 118.70 119.89 1tox s GLU 413 Ca 0.00 -1.54 -0.21 0.00 -0.41 0.00 0.00 54.97 52.81 1tox s GLU 413 Cb 0.00 -2.14 0.04 0.00 -1.78 0.00 0.00 34.13 30.25 1tox s GLU 413 CO 0.00 0.17 0.46 -1.54 -0.49 0.00 0.00 175.26 173.87 1tox s SER 414 N -3.79 -0.37 0.05 -0.19 1.04 -0.84 -5.01 113.70 104.59 1tox s SER 414 Ca 0.36 0.20 0.08 0.00 0.48 0.00 0.00 55.95 57.07 1tox s SER 414 Cb -0.03 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1tox s SER 414 CO 0.22 -0.62 -0.24 -0.83 0.98 0.00 0.00 173.24 172.75 1tox s GLY 415 N -1.68 1.28 -0.16 7.32 0.00 -1.26 -1.56 107.32 111.26 1tox s GLY 415 Ca -0.08 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 1tox s GLY 415 CO 0.02 -1.09 0.06 0.30 0.00 0.00 0.00 173.10 172.39 1tox s HIS 416 N -0.81 0.54 -0.01 1.90 3.76 0.87 -4.85 115.29 116.69 1tox s HIS 416 Ca 0.10 -0.47 -0.19 0.00 -0.15 0.00 0.00 55.06 54.36 1tox s HIS 416 Cb -0.09 -0.81 -0.06 0.00 1.11 0.00 0.00 32.58 32.73 1tox s HIS 416 CO 0.02 -0.51 0.53 -0.51 -0.85 0.00 0.00 174.74 173.42 1tox s ASP 417 N 2.02 6.91 -0.14 1.40 1.01 -1.26 -0.99 116.67 125.62 1tox s ASP 417 Ca 0.01 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.35 1tox s ASP 417 Cb -0.16 -2.33 0.04 0.00 1.01 0.00 0.00 42.92 41.48 1tox s ASP 417 CO -0.08 0.17 -0.04 -0.63 0.21 0.00 0.00 175.17 174.80 1tox s ILE 418 N -0.44 0.93 0.29 0.77 1.01 -0.22 -1.57 121.20 121.97 1tox s ILE 418 Ca 0.28 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 1tox s ILE 418 Cb -0.18 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.10 1tox s ILE 418 CO 0.16 0.17 0.95 -0.54 0.00 0.00 0.00 174.94 175.68 1tox s LYS 419 N 1.72 4.69 -0.01 2.79 1.02 0.02 -0.62 119.74 129.35 1tox s LYS 419 Ca 0.02 1.41 -0.01 0.00 0.02 0.00 0.00 55.97 57.42 1tox s LYS 419 Cb -0.14 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1tox s LYS 419 CO -0.07 0.37 0.02 0.42 -0.92 0.00 0.00 175.35 175.16 1tox s ILE 420 N -1.42 -0.01 0.29 2.17 1.01 -0.36 -2.04 121.20 120.84 1tox s ILE 420 Ca 0.46 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 1tox s ILE 420 Cb -0.22 -0.04 0.04 0.00 0.01 0.00 0.00 42.46 42.24 1tox s ILE 420 CO 0.28 0.01 0.77 0.28 0.00 0.00 0.00 174.94 176.28 1tox s THR 421 N 0.14 0.00 0.05 2.92 -1.32 -0.73 -0.96 115.64 115.74 1tox s THR 421 Ca -0.01 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 59.54 1tox s THR 421 Cb -0.02 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.67 1tox s THR 421 CO -0.00 0.00 -0.09 0.00 -2.21 0.00 0.00 174.62 172.31 1tox s ALA 422 N -3.34 0.75 0.22 11.08 0.00 -1.26 -1.34 121.76 127.87 1tox s ALA 422 Ca 0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 1tox s ALA 422 Cb -0.05 0.02 0.20 0.00 0.00 0.00 0.00 23.12 23.29 1tox s ALA 422 CO 0.08 0.00 1.89 1.49 0.00 0.00 0.00 175.76 179.22 1tox h GLU 423 N 4.32 1.05 0.00 0.00 4.81 -0.98 -2.86 114.58 120.93 1tox h GLU 423 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1tox h GLU 423 Cb 1.20 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1tox h GLU 423 CO 0.43 0.70 0.00 -1.71 -0.73 0.00 0.00 179.01 177.69 1tox n ASN 424 N -4.53 0.00 -4.73 1.04 5.15 -1.26 -4.08 115.26 106.85 1tox n ASN 424 Ca 0.09 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.76 1tox n ASN 424 Cb 0.04 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.41 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 0.51 2.78 -0.08 -0.44 -4.23 -1.26 -0.94 115.64 111.98 1tox s THR 425 Ca 0.00 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1tox s THR 425 Cb 0.00 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 1tox s THR 425 CO 0.00 -0.33 1.63 -2.84 -0.54 0.00 0.00 174.62 172.53 1tox s PRO 426 N -4.80 4.14 -0.07 3.99 0.02 -1.26 -4.47 135.00 132.56 1tox s PRO 426 Ca 0.64 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.80 1tox s PRO 426 Cb -0.19 -3.98 -0.02 0.00 0.02 0.00 0.00 34.50 30.33 1tox s PRO 426 CO 0.57 -0.88 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.66 1tox s LEU 427 N 4.13 2.48 0.65 -5.54 1.43 0.11 -4.87 118.68 117.07 1tox s LEU 427 Ca 0.72 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 1tox s LEU 427 Cb -0.32 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1tox s LEU 427 CO 0.28 0.26 1.06 -2.16 0.23 0.00 0.00 176.35 176.03 1tox s PRO 428 N -0.25 3.08 -0.28 1.29 0.04 -1.26 -0.89 135.00 136.74 1tox s PRO 428 Ca 0.00 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.14 1tox s PRO 428 Cb -0.13 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1tox s PRO 428 CO 0.03 -0.99 -0.05 0.42 0.04 0.00 0.00 177.00 176.45 1tox s ILE 429 N -2.78 2.04 0.21 0.56 -1.09 -0.07 -3.44 121.20 116.63 1tox s ILE 429 Ca 0.61 -1.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.22 1tox s ILE 429 Cb -0.15 -2.28 0.07 0.00 -1.58 0.00 0.00 42.46 38.52 1tox s ILE 429 CO 0.47 -0.21 1.66 0.00 -1.23 0.00 0.00 174.94 175.63 1tox h ALA 430 N 7.77 0.89 0.00 9.38 0.00 -0.54 -3.40 119.26 133.36 1tox h ALA 430 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1tox h ALA 430 Cb 1.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1tox h ALA 430 CO 0.47 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1tox n GLY 431 N -0.40 -0.52 3.17 0.00 0.00 -1.19 -4.17 105.19 102.08 1tox n GLY 431 Ca 0.02 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.02 0.00 -0.21 1.61 0.11 -0.44 -0.60 120.40 117.86 1tox s VAL 432 Ca 0.00 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 1tox s VAL 432 Cb 0.00 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1tox s VAL 432 CO 0.00 -0.01 0.12 -0.76 -3.33 0.00 0.00 175.10 171.13 1tox s LEU 433 N 0.12 4.12 -0.05 2.54 1.43 0.14 -1.65 118.68 125.32 1tox s LEU 433 Ca -0.00 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1tox s LEU 433 Cb -0.02 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1tox s LEU 433 CO 0.00 0.16 -0.18 -0.76 0.23 0.00 0.00 176.35 175.80 1tox s LEU 434 N 0.50 1.90 0.22 1.79 1.43 0.08 -1.76 118.68 122.84 1tox s LEU 434 Ca 0.07 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1tox s LEU 434 Cb -0.12 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 1tox s LEU 434 CO -0.00 0.14 1.31 -2.16 0.23 0.00 0.00 176.35 175.86 1tox s PRO 435 N 0.14 4.39 0.01 1.29 0.04 -1.26 -0.59 135.00 139.02 1tox s PRO 435 Ca -0.07 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1tox s PRO 435 Cb -0.13 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1tox s PRO 435 CO 0.03 -0.23 -0.08 0.99 0.04 0.00 0.00 177.00 177.75 1tox s THR 436 N -0.05 0.57 -0.28 1.26 2.01 -0.44 -4.87 115.64 113.85 1tox s THR 436 Ca 0.56 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 1tox s THR 436 Cb -0.37 -0.53 0.08 0.00 0.01 0.00 0.00 72.50 71.69 1tox s THR 436 CO 0.40 -0.02 0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1tox s ILE 437 N -0.57 1.15 0.10 1.82 1.01 0.32 -4.55 121.20 120.48 1tox s ILE 437 Ca -0.01 -1.33 -0.35 0.00 0.00 0.00 0.00 60.65 58.96 1tox s ILE 437 Cb -0.05 -1.72 -0.15 0.00 0.01 0.00 0.00 42.46 40.55 1tox s ILE 437 CO 0.00 -0.45 1.53 -2.65 0.00 0.00 0.00 174.94 173.37 1tox n PRO 438 N 4.76 1.78 0.00 2.79 -0.02 -1.26 0.62 135.00 143.67 1tox n PRO 438 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1tox n PRO 438 Cb 0.43 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.21 2.79 0.13 -1.23 0.00 -1.26 -4.67 105.19 104.16 1tox n GLY 439 Ca 0.18 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 1tox n GLY 439 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tox n LYS 440 N 0.00 0.70 -3.53 1.61 5.02 -0.94 -0.24 118.16 120.78 1tox n LYS 440 Ca 0.00 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.21 1tox n LYS 440 Cb 0.00 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.23 1tox n LYS 440 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1tox s LEU 441 N -6.62 0.47 0.16 -0.35 2.96 0.20 -4.29 118.68 111.21 1tox s LEU 441 Ca -0.24 -1.23 0.09 0.00 -0.22 0.00 0.00 54.13 52.52 1tox s LEU 441 Cb 0.08 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 1tox s LEU 441 CO 0.72 -0.43 -0.19 -1.81 -1.32 0.00 0.00 176.35 173.31 1tox s ASP 442 N 2.12 2.78 -0.31 3.68 1.01 -0.34 -0.52 116.67 125.08 1tox s ASP 442 Ca 0.09 -0.84 -0.29 0.00 0.71 0.00 0.00 52.55 52.22 1tox s ASP 442 Cb -0.16 -0.17 0.02 0.00 1.01 0.00 0.00 42.92 43.62 1tox s ASP 442 CO -0.36 -0.00 1.06 -0.69 0.21 0.00 0.00 175.17 175.38 1tox s VAL 443 N -1.89 4.54 -0.87 -1.27 1.01 -1.26 0.16 120.40 120.80 1tox s VAL 443 Ca 0.15 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 1tox s VAL 443 Cb -0.07 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 31.96 1tox s VAL 443 CO 0.07 -0.45 1.39 0.21 0.00 0.00 0.00 175.10 176.32 1tox s ASN 444 N 1.63 6.27 0.59 3.32 3.84 0.72 -4.82 114.94 126.49 1tox s ASN 444 Ca 0.45 -0.91 0.29 0.00 0.21 0.00 0.00 52.86 52.89 1tox s ASN 444 Cb -0.12 -2.56 1.74 0.00 -0.55 0.00 0.00 41.25 39.76 1tox s ASN 444 CO 0.15 -1.72 2.18 0.11 -2.79 0.00 0.00 177.10 175.03 1tox h LYS 445 N 10.08 0.00 0.09 0.43 1.57 -1.92 -1.42 116.57 125.40 1tox h LYS 445 Ca -0.04 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 1tox h LYS 445 Cb 1.03 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.37 1tox h LYS 445 CO 1.35 0.00 -1.10 0.66 -0.57 0.00 0.00 179.45 179.79 1tox h SER 446 N 0.00 0.81 0.20 0.86 4.64 -1.94 -3.34 113.55 114.78 1tox h SER 446 Ca 0.04 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1tox h SER 446 Cb 0.24 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1tox h SER 446 CO -0.00 1.54 -0.34 1.17 -0.87 0.00 0.00 176.83 178.32 1tox n LYS 447 N -3.89 0.82 -2.89 4.77 3.00 -1.08 -4.87 118.16 114.03 1tox n LYS 447 Ca -0.13 -0.54 -0.40 0.00 -0.00 0.00 0.00 58.31 57.23 1tox n LYS 447 Cb 0.92 -1.49 -0.05 0.00 0.00 0.00 0.00 35.03 34.41 1tox n LYS 447 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1tox s THR 448 N -2.55 4.71 0.18 3.15 2.01 -0.56 -4.64 115.64 117.94 1tox s THR 448 Ca 0.22 1.78 -0.16 0.00 0.31 0.00 0.00 61.69 63.84 1tox s THR 448 Cb 0.19 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.57 1tox s THR 448 CO 0.56 0.32 0.80 0.00 -0.69 0.00 0.00 174.62 175.61 1tox n HIS 449 N 3.00 -1.40 -3.70 4.92 1.44 -0.69 -4.15 115.22 114.65 1tox n HIS 449 Ca -0.00 -1.13 -0.18 0.00 -2.01 0.00 0.00 57.72 54.40 1tox n HIS 449 Cb 0.50 0.56 -0.17 0.00 0.12 0.00 0.00 29.99 31.00 1tox n HIS 449 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1tox s ILE 450 N -2.18 -0.11 -0.30 0.61 2.07 -0.51 -0.06 121.20 120.73 1tox s ILE 450 Ca 0.18 0.36 -0.12 0.00 -1.41 0.00 0.00 60.65 59.65 1tox s ILE 450 Cb -0.03 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 1tox s ILE 450 CO 0.06 0.15 0.21 -0.44 -1.91 0.00 0.00 174.94 173.00 1tox s SER 451 N 1.87 6.04 -0.48 4.50 0.01 -0.06 -0.58 113.70 125.00 1tox s SER 451 Ca 0.01 -0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.02 1tox s SER 451 Cb -0.12 -2.13 0.11 0.00 0.21 0.00 0.00 66.02 64.09 1tox s SER 451 CO -0.04 -0.11 0.38 -0.69 0.41 0.00 0.00 173.24 173.19 1tox s VAL 452 N 1.75 4.64 -1.66 3.43 1.01 -0.82 -0.84 120.40 127.91 1tox s VAL 452 Ca 0.07 -1.52 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1tox s VAL 452 Cb -0.16 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1tox s VAL 452 CO 0.11 -0.72 0.03 0.59 0.00 0.00 0.00 175.10 175.11 1tox n ASN 453 N 5.05 -5.61 0.00 3.32 4.13 -0.24 -2.40 115.26 119.50 1tox n ASN 453 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1tox n ASN 453 Cb 0.41 -4.68 0.00 0.00 -1.54 0.00 0.00 39.78 33.98 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 -1.01 3.25 3.58 7.41 0.00 -1.26 -5.02 105.19 112.14 1tox n GLY 454 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.69 3.17 -0.57 1.61 3.52 -1.01 -4.93 118.95 120.05 1tox s ARG 455 Ca 0.00 0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 56.07 1tox s ARG 455 Cb 0.00 -4.20 0.02 0.00 -1.56 0.00 0.00 34.95 29.21 1tox s ARG 455 CO 0.00 -2.08 1.39 0.21 -0.81 0.00 0.00 175.30 174.01 1tox s LYS 456 N 5.86 3.32 -0.13 5.12 2.20 -1.26 -1.94 119.74 132.91 1tox s LYS 456 Ca 0.63 0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 56.51 1tox s LYS 456 Cb -0.14 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.02 1tox s LYS 456 CO 0.26 -1.92 0.34 0.42 -0.36 0.00 0.00 175.35 174.10 1tox s ILE 457 N 5.94 5.25 0.57 5.43 1.01 0.26 -4.95 121.20 134.71 1tox s ILE 457 Ca 0.51 0.66 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 1tox s ILE 457 Cb -0.10 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.70 1tox s ILE 457 CO 0.25 0.41 0.86 -0.13 0.00 0.00 0.00 174.94 176.33 1tox s ARG 458 N 0.26 2.96 0.11 2.79 0.52 -1.26 -1.42 118.95 122.92 1tox s ARG 458 Ca 0.19 -0.07 0.07 0.00 -0.52 0.00 0.00 55.73 55.40 1tox s ARG 458 Cb -0.14 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1tox s ARG 458 CO 0.06 -0.62 -0.17 -1.64 0.02 0.00 0.00 175.30 172.95 1tox s MET 459 N -4.92 1.06 -0.43 3.54 -1.94 -1.26 -0.38 119.30 114.97 1tox s MET 459 Ca 0.53 -1.18 -0.12 0.00 -1.71 0.00 0.00 55.69 53.21 1tox s MET 459 Cb -0.10 -1.15 0.07 0.00 2.01 0.00 0.00 34.83 35.66 1tox s MET 459 CO 0.44 0.25 0.30 1.03 -0.01 0.00 0.00 175.02 177.03 1tox s ARG 460 N -2.20 2.77 -0.18 2.03 0.52 -0.48 -4.90 118.95 116.51 1tox s ARG 460 Ca 0.07 -1.36 -0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1tox s ARG 460 Cb -0.08 -3.90 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 1tox s ARG 460 CO 0.04 -0.94 0.07 0.00 0.02 0.00 0.00 175.30 174.49 1tox s ARG 462 N 0.31 0.47 -0.60 0.00 1.70 0.04 -4.96 118.95 115.91 1tox s ARG 462 Ca 0.04 -0.13 -0.27 0.00 -0.47 0.00 0.00 55.73 54.90 1tox s ARG 462 Cb -0.12 -0.48 -0.00 0.00 -0.57 0.00 0.00 34.95 33.77 1tox s ARG 462 CO -0.00 0.04 1.60 0.00 -1.08 0.00 0.00 175.30 175.86 1tox s ALA 463 N 0.22 2.54 -2.00 7.88 0.00 -1.26 -0.96 121.76 128.18 1tox s ALA 463 Ca -0.02 -0.72 0.27 0.00 0.00 0.00 0.00 51.96 51.49 1tox s ALA 463 Cb -0.06 -4.21 1.59 0.00 0.00 0.00 0.00 23.12 20.45 1tox s ALA 463 CO -0.00 -3.37 2.02 0.44 0.00 0.00 0.00 175.76 174.85 1tox n ILE 464 N 6.96 0.00 -1.10 0.00 -0.00 -1.16 -4.97 119.36 119.09 1tox n ILE 464 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.90 1tox n ILE 464 Cb 0.50 -0.43 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 1tox n ILE 464 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1tox n ASP 465 N -0.92 -6.30 0.00 7.28 8.00 -1.23 -4.99 116.55 118.38 1tox n ASP 465 Ca 0.20 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.54 1tox n ASP 465 Cb 0.09 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 1tox n ASP 465 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tox n GLY 466 N -0.63 1.54 3.59 0.44 0.00 -1.26 -4.68 105.19 104.19 1tox n GLY 466 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -5.58 -3.87 1.61 9.92 -1.26 -4.98 116.55 112.39 1tox n ASP 467 Ca 0.00 -0.57 -0.12 0.00 -0.53 0.00 0.00 54.79 53.57 1tox n ASP 467 Cb 0.00 -4.44 -0.13 0.00 -0.64 0.00 0.00 41.12 35.90 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 -3.25 0.01 -0.17 2.53 1.01 -1.26 -1.32 120.40 117.95 1tox s VAL 468 Ca 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1tox s VAL 468 Cb -0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1tox s VAL 468 CO 0.68 -0.05 -0.09 -0.89 0.00 0.00 0.00 175.10 174.75 1tox s THR 469 N -0.15 3.18 -0.26 3.92 2.01 0.24 -3.00 115.64 121.58 1tox s THR 469 Ca -0.02 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 1tox s THR 469 Cb -0.01 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1tox s THR 469 CO -0.00 0.49 0.14 0.12 -0.69 0.00 0.00 174.62 174.67 1tox s PHE 470 N 0.83 3.19 -0.08 4.92 5.36 -0.13 -0.74 117.98 131.33 1tox s PHE 470 Ca -0.03 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1tox s PHE 470 Cb -0.15 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1tox s PHE 470 CO 0.01 -0.17 -0.05 0.00 -1.46 0.00 0.00 175.22 173.55 1tox s ARG 472 N -0.70 1.43 0.30 0.00 0.52 -0.69 -1.33 118.95 118.47 1tox s ARG 472 Ca 0.11 -1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 53.96 1tox s ARG 472 Cb -0.11 -1.64 -0.10 0.00 0.52 0.00 0.00 34.95 33.62 1tox s ARG 472 CO 0.02 0.41 1.15 -1.25 0.02 0.00 0.00 175.30 175.65 1tox s PRO 473 N -1.44 4.53 0.49 3.54 0.04 -1.26 -1.38 135.00 139.52 1tox s PRO 473 Ca 0.09 1.90 0.15 0.00 0.04 0.00 0.00 61.00 63.18 1tox s PRO 473 Cb -0.09 -3.12 1.15 0.00 0.04 0.00 0.00 34.50 32.48 1tox s PRO 473 CO 0.03 0.08 2.08 0.87 0.04 0.00 0.00 177.00 180.10 1tox h LYS 474 N 3.62 0.00 -5.04 4.56 6.56 -1.06 -3.43 116.57 121.79 1tox h LYS 474 Ca -0.47 -0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 58.79 1tox h LYS 474 Cb 1.22 -0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.71 1tox h LYS 474 CO 0.66 0.08 -0.73 -1.54 -2.06 0.00 0.00 179.45 175.87 1tox s SER 475 N -7.04 1.62 0.20 0.86 1.04 -1.26 -5.06 113.70 104.06 1tox s SER 475 Ca -0.05 -0.89 -0.32 0.00 0.48 0.00 0.00 55.95 55.17 1tox s SER 475 Cb 0.16 -0.00 -0.14 0.00 0.10 0.00 0.00 66.02 66.14 1tox s SER 475 CO 0.68 -0.28 1.32 -2.65 0.98 0.00 0.00 173.24 173.28 1tox n PRO 476 N 0.26 1.66 -3.96 4.02 -0.02 -1.26 -5.00 135.00 130.70 1tox n PRO 476 Ca -0.14 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 1tox n PRO 476 Cb 0.59 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.05 2.93 -0.04 -1.45 1.01 -1.26 -5.07 120.40 116.47 1tox s VAL 477 Ca 0.71 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1tox s VAL 477 Cb -0.74 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1tox s VAL 477 CO 0.50 0.33 -0.20 -0.31 0.00 0.00 0.00 175.10 175.42 1tox s TYR 478 N 1.38 1.94 0.22 5.22 1.51 -1.26 -0.89 117.35 125.47 1tox s TYR 478 Ca 0.03 -0.49 0.09 0.00 -1.01 0.00 0.00 57.07 55.69 1tox s TYR 478 Cb -0.15 -1.28 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 1tox s TYR 478 CO -0.05 -0.12 -0.17 0.14 -1.11 0.00 0.00 175.55 174.23 1tox s VAL 479 N -0.22 1.99 -1.72 0.71 -7.23 -0.07 -4.78 120.40 109.09 1tox s VAL 479 Ca 0.01 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1tox s VAL 479 Cb -0.11 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1tox s VAL 479 CO 0.01 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1tox n GLY 480 N -0.38 -0.94 3.66 2.32 0.00 -0.10 0.05 105.19 109.79 1tox n GLY 480 Ca -0.08 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 6.47 0.00 1.61 3.84 -0.12 -0.73 114.94 122.01 1tox s ASN 481 Ca 0.00 2.55 0.00 0.00 0.21 0.00 0.00 52.86 55.62 1tox s ASN 481 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1tox s ASN 481 CO 0.00 -1.05 0.00 0.61 -2.79 0.00 0.00 177.10 173.87 1tox n GLY 482 N 4.49 1.45 2.94 1.21 0.00 -1.26 -5.01 105.19 109.01 1tox n GLY 482 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.68 1.15 0.20 1.61 1.01 0.09 -5.03 120.40 116.75 1tox s VAL 483 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1tox s VAL 483 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1tox s VAL 483 CO 0.00 0.39 -0.01 -1.38 0.00 0.00 0.00 175.10 174.10 1tox s HIS 484 N 1.57 1.41 0.07 5.22 -3.43 -1.26 -0.92 115.29 117.94 1tox s HIS 484 Ca 0.03 -0.95 0.01 0.00 -0.80 0.00 0.00 55.06 53.35 1tox s HIS 484 Cb -0.13 -0.80 -0.03 0.00 -1.43 0.00 0.00 32.58 30.18 1tox s HIS 484 CO -0.08 -0.10 -0.06 0.00 -2.00 0.00 0.00 174.74 172.50 1tox s ALA 485 N -3.51 0.70 -0.25 -1.38 0.00 -0.14 -1.08 121.76 116.11 1tox s ALA 485 Ca 0.26 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1tox s ALA 485 Cb 0.06 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.38 1tox s ALA 485 CO 0.06 -0.18 -0.06 1.21 0.00 0.00 0.00 175.76 176.79 1tox s ASN 486 N -2.41 4.10 -0.33 0.00 2.47 -0.02 -1.22 114.94 117.53 1tox s ASN 486 Ca 0.02 -1.31 -0.24 0.00 0.42 0.00 0.00 52.86 51.75 1tox s ASN 486 Cb -0.01 -1.32 0.01 0.00 -1.45 0.00 0.00 41.25 38.48 1tox s ASN 486 CO -0.04 -0.23 0.80 -0.22 -3.72 0.00 0.00 177.10 173.70 1tox s LEU 487 N 1.28 4.09 -0.36 3.21 2.96 0.21 -0.88 118.68 129.19 1tox s LEU 487 Ca -0.06 0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 54.31 1tox s LEU 487 Cb -0.19 -3.08 0.04 0.00 0.50 0.00 0.00 46.19 43.45 1tox s LEU 487 CO -0.06 -0.68 0.16 -2.28 -1.32 0.00 0.00 176.35 172.16 1tox s HIS 488 N 3.07 3.25 -0.21 5.38 5.65 0.92 -1.05 115.29 132.30 1tox s HIS 488 Ca 0.33 -1.21 -0.14 0.00 0.25 0.00 0.00 55.06 54.29 1tox s HIS 488 Cb -0.14 -2.38 -0.04 0.00 -1.18 0.00 0.00 32.58 28.84 1tox s HIS 488 CO 0.15 -0.70 0.31 0.08 -0.65 0.00 0.00 174.74 173.93 1tox s VAL 489 N 1.48 5.26 -0.18 0.89 1.01 -0.16 -1.70 120.40 127.00 1tox s VAL 489 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 1tox s VAL 489 Cb -0.19 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1tox s VAL 489 CO 0.05 0.29 -0.08 0.00 0.00 0.00 0.00 175.10 175.36 1tox s ALA 490 N 1.19 2.76 0.03 5.51 0.00 -1.26 -0.09 121.76 129.90 1tox s ALA 490 Ca 0.15 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1tox s ALA 490 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1tox s ALA 490 CO 0.06 -0.08 0.02 -0.06 0.00 0.00 0.00 175.76 175.71 1tox s PHE 491 N 0.88 3.09 -0.04 0.00 0.08 -0.60 -0.20 117.98 121.18 1tox s PHE 491 Ca -0.02 0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.13 1tox s PHE 491 Cb -0.15 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1tox s PHE 491 CO 0.01 0.48 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.87 1tox s HIS 492 N -1.19 1.64 -0.29 0.36 5.65 0.42 -1.98 115.29 119.89 1tox s HIS 492 Ca 0.23 -0.48 -0.05 0.00 0.25 0.00 0.00 55.06 55.01 1tox s HIS 492 Cb -0.12 -1.11 0.02 0.00 -1.18 0.00 0.00 32.58 30.20 1tox s HIS 492 CO 0.14 -0.17 0.03 1.03 -0.65 0.00 0.00 174.74 175.12 1tox s ARG 493 N 0.10 2.85 0.19 2.88 0.52 0.11 -1.19 118.95 124.41 1tox s ARG 493 Ca -0.05 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1tox s ARG 493 Cb -0.12 -3.25 0.07 0.00 0.52 0.00 0.00 34.95 32.17 1tox s ARG 493 CO 0.02 -0.49 1.43 0.77 0.02 0.00 0.00 175.30 177.05 1tox h SER 494 N 8.13 0.12 -4.36 0.23 0.02 -0.85 -1.62 113.55 115.23 1tox h SER 494 Ca -0.29 -0.10 -0.32 0.00 -0.84 0.00 0.00 61.79 60.24 1tox h SER 494 Cb 1.10 -0.04 -0.18 0.00 0.14 0.00 0.00 62.40 63.43 1tox h SER 494 CO 0.58 0.88 -0.73 -0.94 -1.14 0.00 0.00 176.83 175.49 1tox s SER 495 N -6.85 1.48 -0.01 3.07 1.04 -0.98 -4.90 113.70 106.54 1tox s SER 495 Ca -0.02 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1tox s SER 495 Cb 0.11 0.01 0.12 0.00 0.10 0.00 0.00 66.02 66.35 1tox s SER 495 CO 0.81 -0.26 0.94 -1.54 0.98 0.00 0.00 173.24 174.17 1tox n SER 496 N 0.54 1.07 -4.70 7.02 3.41 -1.26 -4.18 113.62 115.52 1tox n SER 496 Ca -0.16 -2.06 -0.42 0.00 -0.26 0.00 0.00 58.87 55.97 1tox n SER 496 Cb 0.58 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1tox n SER 496 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1tox s GLU 497 N -1.63 4.45 0.61 4.33 2.12 -1.26 -3.69 118.70 123.63 1tox s GLU 497 Ca 0.08 1.64 -0.19 0.00 0.36 0.00 0.00 54.97 56.87 1tox s GLU 497 Cb 0.05 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1tox s GLU 497 CO 0.04 -0.25 1.23 0.15 -0.54 0.00 0.00 175.26 175.90 1tox s LYS 498 N 1.37 2.84 -0.25 4.30 3.01 -1.26 -4.27 119.74 125.47 1tox s LYS 498 Ca 0.56 1.90 -0.21 0.00 -1.01 0.00 0.00 55.97 57.21 1tox s LYS 498 Cb -0.26 -1.90 -0.02 0.00 -1.01 0.00 0.00 37.83 34.64 1tox s LYS 498 CO 0.27 -1.33 0.64 0.42 0.51 0.00 0.00 175.35 175.86 1tox s ILE 499 N -1.54 4.98 0.52 2.17 1.01 -1.26 -4.93 121.20 122.15 1tox s ILE 499 Ca 0.79 1.17 -0.09 0.00 0.00 0.00 0.00 60.65 62.52 1tox s ILE 499 Cb -0.33 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1tox s ILE 499 CO 0.35 0.03 0.88 -1.00 0.00 0.00 0.00 174.94 175.19 1tox s HIS 500 N 2.49 3.56 0.22 3.97 3.76 -1.26 -5.00 115.29 123.03 1tox s HIS 500 Ca 0.27 1.05 -0.02 0.00 -0.15 0.00 0.00 55.06 56.20 1tox s HIS 500 Cb -0.15 -2.49 0.21 0.00 1.11 0.00 0.00 32.58 31.25 1tox s HIS 500 CO 0.08 -0.39 1.61 0.66 -0.85 0.00 0.00 174.74 175.85 1tox h SER 501 N 0.25 0.66 -0.88 1.40 4.64 -1.97 -3.14 113.55 114.52 1tox h SER 501 Ca -0.46 -0.27 -0.66 0.00 -0.47 0.00 0.00 61.79 59.93 1tox h SER 501 Cb 1.20 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 63.00 1tox h SER 501 CO 0.62 0.95 2.19 0.59 -0.87 0.00 0.00 176.83 180.31 1tox n ASN 502 N -4.06 7.78 0.00 4.97 4.13 -1.26 -3.76 115.26 123.05 1tox n ASN 502 Ca -0.01 -3.02 0.00 0.00 1.68 0.00 0.00 54.58 53.23 1tox n ASN 502 Cb 0.48 -1.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 1tox n ASN 502 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1tox n GLU 503 N 1.94 0.00 -2.77 3.52 2.13 -1.19 -5.11 120.64 119.16 1tox n GLU 503 Ca 0.62 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 58.02 1tox n GLU 503 Cb 0.33 -0.01 -0.03 0.00 0.27 0.00 0.00 31.44 32.00 1tox n GLU 503 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1tox s ILE 504 N -1.42 4.89 -0.02 6.31 1.10 -1.22 -4.99 121.20 125.83 1tox s ILE 504 Ca 0.00 1.94 -0.19 0.00 -0.51 0.00 0.00 60.65 61.89 1tox s ILE 504 Cb 0.00 -4.26 -0.11 0.00 0.15 0.00 0.00 42.46 38.24 1tox s ILE 504 CO 0.00 0.14 0.78 0.77 -2.11 0.00 0.00 174.94 174.52 1tox h SER 505 N 6.87 -0.52 -2.49 4.50 4.64 -1.91 -3.47 113.55 121.17 1tox h SER 505 Ca -0.39 -0.01 -0.58 0.00 -0.47 0.00 0.00 61.79 60.34 1tox h SER 505 Cb 1.20 0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.32 1tox h SER 505 CO 0.77 -0.10 -0.67 -0.55 -0.87 0.00 0.00 176.83 175.42 1tox s SER 506 N -4.86 4.48 -0.22 4.97 0.15 -1.26 -5.01 113.70 111.94 1tox s SER 506 Ca -0.10 -0.61 0.14 0.00 0.70 0.00 0.00 55.95 56.09 1tox s SER 506 Cb 0.01 -0.82 0.54 0.00 -1.71 0.00 0.00 66.02 64.04 1tox s SER 506 CO 0.31 0.04 1.47 -0.90 1.20 0.00 0.00 173.24 175.36 1tox n ASP 507 N -0.55 3.59 -3.96 5.45 5.75 -1.26 -4.96 116.55 120.61 1tox n ASP 507 Ca -0.08 -3.23 -0.09 0.00 -0.01 0.00 0.00 54.79 51.38 1tox n ASP 507 Cb 0.58 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.18 -0.11 -1.12 1.04 -1.26 -0.32 113.70 110.08 1tox s SER 508 Ca 0.44 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1tox s SER 508 Cb 0.37 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1tox s SER 508 CO 0.07 -0.76 -0.09 -0.63 0.98 0.00 0.00 173.24 172.81 1tox s ILE 509 N -3.93 3.47 -0.37 -1.02 1.01 0.92 -4.52 121.20 116.77 1tox s ILE 509 Ca 0.11 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 1tox s ILE 509 Cb 0.05 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 40.10 1tox s ILE 509 CO -0.06 0.54 0.19 -0.83 0.00 0.00 0.00 174.94 174.78 1tox s GLY 510 N -0.05 1.92 -0.18 6.18 0.00 -0.72 -1.31 107.32 113.16 1tox s GLY 510 Ca -0.01 -1.78 -0.19 0.00 0.00 0.00 0.00 44.72 42.75 1tox s GLY 510 CO 0.03 0.85 0.54 0.14 0.00 0.00 0.00 173.10 174.65 1tox s VAL 511 N 1.51 5.11 -0.21 1.40 1.01 0.40 0.26 120.40 129.87 1tox s VAL 511 Ca 0.01 1.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 1tox s VAL 511 Cb -0.20 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1tox s VAL 511 CO 0.05 0.20 0.26 -0.76 0.00 0.00 0.00 175.10 174.85 1tox s LEU 512 N 1.44 4.15 0.00 3.92 1.02 0.23 -0.34 118.68 129.10 1tox s LEU 512 Ca 0.26 0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.72 1tox s LEU 512 Cb -0.15 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.77 1tox s LEU 512 CO 0.10 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.10 1tox n GLY 513 N 4.01 1.80 3.72 -3.19 0.00 0.18 -0.01 105.19 111.69 1tox n GLY 513 Ca -0.12 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 4.25 2.12 -0.18 1.61 -0.85 -1.22 -3.84 117.35 119.23 1tox s TYR 514 Ca 0.00 1.64 -0.09 0.00 -0.52 0.00 0.00 57.07 58.10 1tox s TYR 514 Cb 0.00 -3.18 -0.05 0.00 0.38 0.00 0.00 41.96 39.11 1tox s TYR 514 CO 0.00 -2.32 0.11 -1.14 -1.52 0.00 0.00 175.55 170.68 1tox s GLN 515 N -4.78 4.03 -0.15 -3.49 0.74 -1.26 -0.73 119.66 114.01 1tox s GLN 515 Ca 0.64 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.82 1tox s GLN 515 Cb -0.20 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.60 1tox s GLN 515 CO 0.57 0.35 -0.20 -1.59 -0.55 0.00 0.00 175.29 173.87 1tox s LYS 516 N 0.20 3.06 -1.47 1.67 -2.85 0.14 -4.96 119.74 115.53 1tox s LYS 516 Ca 0.07 -0.83 -0.08 0.00 -1.00 0.00 0.00 55.97 54.13 1tox s LYS 516 Cb -0.11 -2.50 0.02 0.00 -2.06 0.00 0.00 37.83 33.18 1tox s LYS 516 CO -0.01 -0.04 2.62 2.41 0.10 0.00 0.00 175.35 180.43 1tox n THR 517 N 4.15 4.63 -2.70 3.79 -1.04 -1.26 -1.65 114.28 120.20 1tox n THR 517 Ca -0.20 -3.41 -0.21 0.00 -2.04 0.00 0.00 64.05 58.18 1tox n THR 517 Cb 0.51 -2.39 0.07 0.00 -1.82 0.00 0.00 70.33 66.70 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 0.82 2.41 -0.16 12.58 0.11 -1.25 -4.36 120.40 130.55 1tox s VAL 518 Ca 0.60 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1tox s VAL 518 Cb 0.17 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1tox s VAL 518 CO -0.07 0.00 0.01 -0.67 -3.33 0.00 0.00 175.10 171.04 1tox n ASP 519 N -2.48 -1.37 -0.13 3.54 2.03 -1.26 0.63 116.55 117.51 1tox n ASP 519 Ca 0.12 0.43 -0.01 0.00 0.52 0.00 0.00 54.79 55.85 1tox n ASP 519 Cb 0.60 -1.30 -0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 -2.64 -0.05 -3.81 -0.67 1.44 -1.26 -4.85 115.22 103.38 1tox n HIS 520 Ca -0.02 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.40 1tox n HIS 520 Cb 0.51 -1.39 -0.16 0.00 0.12 0.00 0.00 29.99 29.07 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 -0.67 0.97 0.14 0.61 2.01 0.21 -5.12 115.64 113.80 1tox s THR 521 Ca 0.00 -1.02 -0.31 0.00 0.31 0.00 0.00 61.69 60.67 1tox s THR 521 Cb 0.00 -1.47 -0.09 0.00 0.01 0.00 0.00 72.50 70.95 1tox s THR 521 CO 0.00 -0.30 1.49 -1.59 -0.69 0.00 0.00 174.62 173.54 1tox s LYS 522 N 1.63 4.26 0.08 4.92 -2.85 -1.25 -3.90 119.74 122.63 1tox s LYS 522 Ca 0.00 2.23 -0.04 0.00 -1.00 0.00 0.00 55.97 57.17 1tox s LYS 522 Cb -0.18 -3.21 -0.03 0.00 -2.06 0.00 0.00 37.83 32.35 1tox s LYS 522 CO -0.11 -0.54 0.06 0.54 0.10 0.00 0.00 175.35 175.40 1tox s VAL 523 N 1.19 0.17 0.17 1.79 0.11 -0.66 -4.96 120.40 118.21 1tox s VAL 523 Ca 0.68 -1.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1tox s VAL 523 Cb -0.41 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1tox s VAL 523 CO 0.31 -0.77 0.34 0.20 -3.33 0.00 0.00 175.10 171.84 1tox s ASN 524 N -2.93 6.37 0.19 3.54 0.01 -1.26 -0.68 114.94 120.17 1tox s ASN 524 Ca 0.10 0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 52.24 1tox s ASN 524 Cb 0.07 -1.97 -0.10 0.00 0.41 0.00 0.00 41.25 39.66 1tox s ASN 524 CO -0.08 0.01 1.52 -0.55 -1.51 0.00 0.00 177.10 176.50 1tox s SER 525 N -3.16 6.61 -0.18 -1.22 0.15 0.09 -4.84 113.70 111.15 1tox s SER 525 Ca 0.37 2.63 -0.02 0.00 0.70 0.00 0.00 55.95 59.62 1tox s SER 525 Cb -0.11 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1tox s SER 525 CO 0.29 -0.78 -0.08 -0.75 1.20 0.00 0.00 173.24 173.11 1tox s LYS 526 N 0.64 3.38 -0.28 5.44 2.20 -1.26 -0.65 119.74 129.21 1tox s LYS 526 Ca 0.66 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1tox s LYS 526 Cb -0.43 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.11 1tox s LYS 526 CO 0.35 -0.01 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.77 1tox s LEU 527 N 0.96 3.74 -0.06 5.43 1.43 0.54 -4.97 118.68 125.74 1tox s LEU 527 Ca -0.01 -1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 51.64 1tox s LEU 527 Cb -0.15 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1tox s LEU 527 CO -0.00 -0.24 0.19 -0.44 0.23 0.00 0.00 176.35 176.09 1tox s SER 528 N 1.18 6.43 -0.16 2.29 0.01 -1.26 -0.45 113.70 121.75 1tox s SER 528 Ca -0.06 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1tox s SER 528 Cb -0.20 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 63.99 1tox s SER 528 CO -0.03 0.34 -0.11 -0.76 0.41 0.00 0.00 173.24 173.09 1tox s LEU 529 N -1.37 1.73 -0.03 2.44 2.01 -0.43 -4.45 118.68 118.58 1tox s LEU 529 Ca 0.21 -0.57 -0.18 0.00 0.01 0.00 0.00 54.13 53.60 1tox s LEU 529 Cb -0.13 -1.10 -0.05 0.00 0.01 0.00 0.00 46.19 44.92 1tox s LEU 529 CO 0.10 -0.10 0.49 -0.36 1.01 0.00 0.00 176.35 177.49 1tox s PHE 530 N 1.52 3.66 0.49 0.29 0.40 0.32 -0.06 117.98 124.61 1tox s PHE 530 Ca 0.03 1.04 0.03 0.00 -0.60 0.00 0.00 56.93 57.43 1tox s PHE 530 Cb -0.14 -2.46 -0.02 0.00 0.51 0.00 0.00 43.02 40.91 1tox s PHE 530 CO -0.09 0.43 0.07 -0.59 0.70 0.00 0.00 175.22 175.73 1tox s PHE 531 N -0.37 2.03 -0.02 0.36 -0.12 0.57 -4.47 117.98 115.96 1tox s PHE 531 Ca 0.26 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.30 1tox s PHE 531 Cb -0.17 -1.71 0.02 0.00 -0.63 0.00 0.00 43.02 40.53 1tox s PHE 531 CO 0.14 0.19 -0.02 -1.21 -0.05 0.00 0.00 175.22 174.27 1tox s GLU 532 N -3.89 0.36 -0.04 1.99 2.02 -0.57 -4.83 118.70 113.73 1tox s GLU 532 Ca 0.18 -0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 1tox s GLU 532 Cb 0.03 -0.45 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 1tox s GLU 532 CO 0.10 -0.05 0.58 0.42 0.02 0.00 0.00 175.26 176.32 1tox s ILE 533 N 0.62 5.00 0.28 -1.63 -1.09 -1.26 -0.53 121.20 122.60 1tox s ILE 533 Ca -0.06 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 59.60 1tox s ILE 533 Cb -0.10 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1tox s ILE 533 CO -0.01 0.37 0.23 -0.54 -1.23 0.00 0.00 174.94 173.76 1tox s LYS 534 N 0.14 1.55 0.00 2.79 1.02 -0.84 -4.94 119.74 119.46 1tox s LYS 534 Ca 0.31 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1tox s LYS 534 Cb -0.17 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1tox s LYS 534 CO 0.16 -0.56 0.00 0.43 -0.92 0.00 0.00 175.35 174.46