#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nud s ALA 2 N 0.00 2.41 0.67 0.00 0.00 -1.26 -4.95 121.76 118.64 1nud s ALA 2 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.01 1nud s ALA 2 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1nud s ALA 2 CO 0.00 -1.55 0.57 -0.11 0.00 0.00 0.00 175.76 174.67 1nud n LEU 3 N -3.32 1.09 -3.57 0.00 7.94 -1.26 -4.97 117.00 112.91 1nud n LEU 3 Ca 0.09 0.65 -0.13 0.00 -1.11 0.00 0.00 56.01 55.51 1nud n LEU 3 Cb 0.53 -1.22 -0.06 0.00 0.53 0.00 0.00 43.42 43.20 1nud n LEU 3 CO 0.54 -2.98 0.67 -0.83 -1.11 0.00 0.00 177.39 173.67 1nud s GLY 4 N -1.38 -0.35 -0.14 -3.96 0.00 -1.26 -4.97 107.32 95.26 1nud s GLY 4 Ca 0.67 1.89 -0.28 0.00 0.00 0.00 0.00 44.72 47.00 1nud s GLY 4 CO 0.56 1.10 0.93 0.14 0.00 0.00 0.00 173.10 175.83 1nud s VAL 5 N -0.97 4.82 -0.22 1.40 1.01 -1.26 0.07 120.40 125.25 1nud s VAL 5 Ca -0.04 1.86 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 1nud s VAL 5 Cb -0.01 -4.24 -0.18 0.00 0.00 0.00 0.00 36.38 31.96 1nud s VAL 5 CO 0.03 0.01 0.08 0.00 0.00 0.00 0.00 175.10 175.22 1nud n GLN 6 N 5.15 0.59 -3.99 2.72 6.02 0.64 -4.89 117.38 123.62 1nud n GLN 6 Ca 0.07 0.47 -0.09 0.00 -0.01 0.00 0.00 57.00 57.44 1nud n GLN 6 Cb 0.49 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 1nud n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1nud s SER 7 N -7.01 -0.08 -0.11 1.08 1.04 -1.06 -5.04 113.70 102.53 1nud s SER 7 Ca -0.31 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.15 1nud s SER 7 Cb 0.08 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.81 1nud s SER 7 CO 0.58 -1.10 0.23 -0.51 0.98 0.00 0.00 173.24 173.43 1nud s ILE 8 N -4.01 -0.16 -0.42 -1.02 1.10 -1.26 -1.79 121.20 113.63 1nud s ILE 8 Ca 0.22 0.21 -0.14 0.00 -0.51 0.00 0.00 60.65 60.43 1nud s ILE 8 Cb 0.00 -0.38 0.03 0.00 0.15 0.00 0.00 42.46 42.27 1nud s ILE 8 CO 0.08 0.08 0.30 0.21 -2.11 0.00 0.00 174.94 173.50 1nud s ASN 9 N 1.66 6.02 0.00 4.50 3.84 0.65 -4.94 114.94 126.67 1nud s ASN 9 Ca -0.05 -1.03 0.17 0.00 0.21 0.00 0.00 52.86 52.16 1nud s ASN 9 Cb -0.11 -2.13 0.86 0.00 -0.55 0.00 0.00 41.25 39.32 1nud s ASN 9 CO -0.08 -0.48 1.52 0.79 -2.79 0.00 0.00 177.10 176.06 1nud n TRP 10 N 5.12 0.00 -4.20 0.43 7.02 -1.26 -2.05 117.44 122.50 1nud n TRP 10 Ca -0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.00 1nud n TRP 10 Cb 0.46 -0.31 -0.04 0.00 -2.42 0.00 0.00 31.31 29.00 1nud n TRP 10 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1nud n GLN 11 N -1.31 -2.56 -1.77 -0.99 6.02 -1.26 -4.79 117.38 110.72 1nud n GLN 11 Ca 0.08 0.31 -0.43 0.00 -0.01 0.00 0.00 57.00 56.95 1nud n GLN 11 Cb 0.15 -5.00 -0.03 0.00 1.02 0.00 0.00 30.24 26.38 1nud n GLN 11 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nud s THR 12 N -3.21 3.20 0.00 5.09 2.01 -1.26 -2.12 115.64 119.35 1nud s THR 12 Ca 0.73 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1nud s THR 12 Cb -0.41 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1nud s THR 12 CO 0.90 -0.11 0.00 0.00 -0.69 0.00 0.00 174.62 174.71 1nud n ALA 13 N 10.03 0.00 0.14 7.40 0.00 -1.26 -4.86 120.51 131.96 1nud n ALA 13 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1nud n ALA 13 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1nud n ALA 13 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1nud h PHE 14 N 0.00 -0.31 -0.72 0.00 3.04 -1.80 0.39 116.94 117.53 1nud h PHE 14 Ca 0.00 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1nud h PHE 14 Cb 0.00 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 1nud h PHE 14 CO 0.00 -0.05 0.23 -0.91 -2.02 0.00 0.00 178.31 175.55 1nud h ASN 15 N -0.54 1.04 -0.60 0.41 2.35 -1.76 0.29 115.58 116.78 1nud h ASN 15 Ca -0.03 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1nud h ASN 15 Cb 0.40 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1nud h ASN 15 CO 0.06 0.97 0.12 0.03 -1.65 0.00 0.00 177.43 176.96 1nud h ARG 16 N 1.07 1.00 -0.23 0.81 3.08 -1.75 0.10 114.38 118.47 1nud h ARG 16 Ca 0.23 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1nud h ARG 16 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1nud h ARG 16 CO -0.01 0.91 -0.50 0.37 -1.07 0.00 0.00 179.97 179.67 1nud h GLN 17 N 0.95 0.64 0.00 0.04 -0.00 0.14 0.27 115.11 117.16 1nud h GLN 17 Ca 0.20 -0.38 -0.08 0.00 -0.00 0.00 0.00 58.65 58.38 1nud h GLN 17 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 1nud h GLN 17 CO 0.01 0.99 -0.40 0.00 0.00 0.00 0.00 178.83 179.43 1nud h ALA 18 N 0.94 1.16 -0.48 3.38 0.00 -0.55 -2.69 119.26 121.01 1nud h ALA 18 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1nud h ALA 18 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nud h ALA 18 CO 0.10 0.50 0.00 0.72 0.00 0.00 0.00 179.25 180.57 1nud n HIS 19 N -3.80 0.64 -3.94 0.00 8.25 0.32 -4.95 115.22 111.74 1nud n HIS 19 Ca -0.01 -0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 56.84 1nud n HIS 19 Cb 0.47 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.59 1nud n HIS 19 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nud n HIS 20 N 1.17 -2.08 -0.70 4.41 -0.00 -0.56 -4.70 115.22 112.77 1nud n HIS 20 Ca 0.19 0.86 0.03 0.00 -0.00 0.00 0.00 57.72 58.80 1nud n HIS 20 Cb 0.50 -3.85 0.04 0.00 -0.00 0.00 0.00 29.99 26.69 1nud n HIS 20 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1nud n THR 21 N -4.54 1.01 0.25 1.59 -2.24 -0.02 -4.77 114.28 105.55 1nud n THR 21 Ca -0.05 -1.12 0.14 0.00 -2.27 0.00 0.00 64.05 60.75 1nud n THR 21 Cb 0.56 0.35 0.54 0.00 -2.10 0.00 0.00 70.33 69.69 1nud n THR 21 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nud h ASP 22 N 0.00 0.00 0.50 3.42 2.03 -1.86 -3.18 116.42 117.33 1nud h ASP 22 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 1nud h ASP 22 Cb 0.83 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.32 1nud h ASP 22 CO 0.00 0.09 -0.17 0.11 -1.03 0.00 0.00 179.24 178.24 1nud h LYS 23 N 0.00 0.00 -6.77 4.15 1.57 -1.92 -3.44 116.57 110.16 1nud h LYS 23 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1nud h LYS 23 Cb 0.66 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.04 1nud h LYS 23 CO 0.01 0.17 0.87 -0.06 -0.57 0.00 0.00 179.45 179.88 1nud s PHE 24 N -4.06 2.83 -1.17 -1.35 0.40 -1.20 -4.87 117.98 108.56 1nud s PHE 24 Ca -0.02 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 1nud s PHE 24 Cb 0.13 -4.02 0.00 0.00 0.51 0.00 0.00 43.02 39.63 1nud s PHE 24 CO 0.61 -3.47 0.48 0.45 0.70 0.00 0.00 175.22 173.99 1nud n SER 25 N 2.43 0.68 -4.97 1.36 2.88 -0.78 -4.81 113.62 110.42 1nud n SER 25 Ca 0.09 -1.64 -0.20 0.00 -1.33 0.00 0.00 58.87 55.79 1nud n SER 25 Cb 0.38 -0.34 0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1nud n SER 25 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nud s SER 26 N -0.35 5.32 0.00 -3.46 0.15 -1.26 -4.77 113.70 109.34 1nud s SER 26 Ca 0.00 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1nud s SER 26 Cb 0.00 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1nud s SER 26 CO 0.00 -1.08 0.80 0.00 1.20 0.00 0.00 173.24 174.16 1nud n GLN 27 N -2.21 1.52 -1.09 5.44 6.02 -1.26 -5.03 117.38 120.77 1nud n GLN 27 Ca 0.09 -1.10 -0.29 0.00 -0.01 0.00 0.00 57.00 55.69 1nud n GLN 27 Cb 0.60 -0.97 0.20 0.00 1.02 0.00 0.00 30.24 31.09 1nud n GLN 27 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1nud s GLU 28 N -0.61 -0.11 -0.49 -1.09 2.02 -1.26 -4.96 118.70 112.20 1nud s GLU 28 Ca 0.00 0.40 -0.20 0.00 0.02 0.00 0.00 54.97 55.20 1nud s GLU 28 Cb 0.00 -1.68 0.04 0.00 0.10 0.00 0.00 34.13 32.59 1nud s GLU 28 CO 0.00 -3.07 0.64 -1.17 0.02 0.00 0.00 175.26 171.68 1nud s LEU 29 N -6.65 4.76 -0.21 1.80 2.96 -1.26 -5.02 118.68 115.07 1nud s LEU 29 Ca 0.67 -0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1nud s LEU 29 Cb -0.18 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1nud s LEU 29 CO 0.58 -0.87 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.11 1nud s ILE 30 N 2.75 3.86 0.25 6.68 1.01 -1.26 -0.41 121.20 134.09 1nud s ILE 30 Ca 0.18 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1nud s ILE 30 Cb -0.17 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1nud s ILE 30 CO 0.14 0.41 0.07 -0.76 0.00 0.00 0.00 174.94 174.81 1nud s LEU 31 N 1.19 1.81 -0.03 2.97 1.43 0.45 -4.62 118.68 121.88 1nud s LEU 31 Ca 0.03 -1.34 0.06 0.00 -1.03 0.00 0.00 54.13 51.85 1nud s LEU 31 Cb -0.15 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 1nud s LEU 31 CO 0.01 -0.68 -0.20 -0.13 0.23 0.00 0.00 176.35 175.59 1nud s ARG 32 N -3.99 2.28 0.60 1.70 0.52 -1.26 -0.06 118.95 118.73 1nud s ARG 32 Ca 0.35 -0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 54.55 1nud s ARG 32 Cb 0.08 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 1nud s ARG 32 CO 0.12 0.59 1.17 -0.98 0.02 0.00 0.00 175.30 176.22 1nud s ARG 33 N -0.78 3.00 0.00 3.54 1.70 -0.39 -3.15 118.95 122.88 1nud s ARG 33 Ca 0.11 1.71 0.00 0.00 -0.47 0.00 0.00 55.73 57.09 1nud s ARG 33 Cb -0.10 -1.95 0.00 0.00 -0.57 0.00 0.00 34.95 32.33 1nud s ARG 33 CO 0.00 -1.15 0.00 0.41 -1.08 0.00 0.00 175.30 173.48 1nud n GLY 34 N 0.29 1.29 3.23 3.88 0.00 -0.98 -4.50 105.19 108.39 1nud n GLY 34 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1nud n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nud s GLN 35 N -0.09 1.49 0.27 1.61 0.74 -1.19 -4.76 119.66 117.73 1nud s GLN 35 Ca 0.00 -0.83 0.06 0.00 0.05 0.00 0.00 55.36 54.64 1nud s GLN 35 Cb 0.00 -1.52 -0.03 0.00 1.10 0.00 0.00 33.01 32.57 1nud s GLN 35 CO 0.00 0.40 0.37 0.54 -0.55 0.00 0.00 175.29 176.05 1nud s ASN 36 N -0.84 6.13 0.27 6.67 6.03 -1.26 -4.02 114.94 127.92 1nud s ASN 36 Ca 0.07 -0.04 0.05 0.00 -1.03 0.00 0.00 52.86 51.92 1nud s ASN 36 Cb -0.08 -1.63 -0.06 0.00 -3.03 0.00 0.00 41.25 36.45 1nud s ASN 36 CO 0.01 -0.17 -0.03 0.72 -2.03 0.00 0.00 177.10 175.60 1nud s PHE 37 N -2.05 1.84 -0.08 1.54 -0.71 -0.20 -4.97 117.98 113.35 1nud s PHE 37 Ca 0.37 -0.79 0.05 0.00 -1.04 0.00 0.00 56.93 55.51 1nud s PHE 37 Cb -0.09 -1.07 -0.01 0.00 -1.21 0.00 0.00 43.02 40.64 1nud s PHE 37 CO 0.29 0.16 -0.23 -1.14 -1.34 0.00 0.00 175.22 172.96 1nud s GLN 38 N -3.78 2.82 0.16 1.99 0.74 -1.26 -1.03 119.66 119.31 1nud s GLN 38 Ca 0.30 -0.86 0.07 0.00 0.05 0.00 0.00 55.36 54.92 1nud s GLN 38 Cb 0.05 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.84 1nud s GLN 38 CO 0.11 0.30 -0.16 0.14 -0.55 0.00 0.00 175.29 175.13 1nud s VAL 39 N 0.05 1.64 -0.15 1.34 -7.23 0.11 -4.57 120.40 111.60 1nud s VAL 39 Ca -0.09 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1nud s VAL 39 Cb -0.15 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 1nud s VAL 39 CO 0.06 -0.42 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.56 1nud s LEU 40 N -2.78 2.80 -0.29 1.32 1.43 -0.87 -0.25 118.68 120.04 1nud s LEU 40 Ca 0.15 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1nud s LEU 40 Cb -0.04 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.61 1nud s LEU 40 CO 0.05 0.13 -0.02 -0.32 0.23 0.00 0.00 176.35 176.42 1nud s MET 41 N 0.58 1.65 -0.51 1.70 1.75 0.58 -0.25 119.30 124.80 1nud s MET 41 Ca -0.07 -1.41 -0.26 0.00 -1.25 0.00 0.00 55.69 52.71 1nud s MET 41 Cb -0.15 -2.83 0.03 0.00 2.84 0.00 0.00 34.83 34.72 1nud s MET 41 CO 0.03 -0.75 1.01 0.42 -0.65 0.00 0.00 175.02 175.08 1nud s ILE 42 N 1.16 4.32 0.67 10.11 1.01 -0.74 -0.69 121.20 137.05 1nud s ILE 42 Ca 0.01 0.71 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 1nud s ILE 42 Cb -0.19 -4.55 0.07 0.00 0.01 0.00 0.00 42.46 37.81 1nud s ILE 42 CO -0.08 -1.04 0.95 -0.04 0.00 0.00 0.00 174.94 174.73 1nud s MET 43 N 4.14 2.12 -0.00 2.79 -1.94 0.32 -0.26 119.30 126.47 1nud s MET 43 Ca 0.38 -0.57 0.13 0.00 -1.71 0.00 0.00 55.69 53.91 1nud s MET 43 Cb -0.10 -2.28 0.37 0.00 2.01 0.00 0.00 34.83 34.84 1nud s MET 43 CO 0.25 -1.18 1.31 0.27 -0.01 0.00 0.00 175.02 175.65 1nud n ASN 44 N -2.78 2.26 -3.20 3.03 6.94 0.11 -4.66 115.26 116.96 1nud n ASN 44 Ca 0.10 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 1nud n ASN 44 Cb 0.60 -0.29 0.01 0.00 -2.36 0.00 0.00 39.78 37.75 1nud n ASN 44 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1nud n LYS 45 N 0.72 0.34 -3.41 -3.83 2.85 -1.26 -4.93 118.16 108.63 1nud n LYS 45 Ca 0.14 -0.93 -0.32 0.00 -1.05 0.00 0.00 58.31 56.14 1nud n LYS 45 Cb 0.36 1.37 -0.05 0.00 -0.65 0.00 0.00 35.03 36.06 1nud n LYS 45 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1nud s GLY 46 N -3.47 2.30 0.16 2.58 0.00 -1.26 -4.60 107.32 103.04 1nud s GLY 46 Ca 0.23 -0.26 -0.31 0.00 0.00 0.00 0.00 44.72 44.37 1nud s GLY 46 CO 0.02 -0.10 1.55 -2.27 0.00 0.00 0.00 173.10 172.30 1nud s LEU 47 N -2.70 4.37 0.10 0.66 2.96 -1.26 -5.02 118.68 117.79 1nud s LEU 47 Ca 0.46 2.60 0.03 0.00 -0.22 0.00 0.00 54.13 57.00 1nud s LEU 47 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1nud s LEU 47 CO 0.21 -0.81 0.10 -0.83 -1.32 0.00 0.00 176.35 173.70 1nud s GLY 48 N 1.11 1.95 0.32 7.98 0.00 -1.26 -5.01 107.32 112.42 1nud s GLY 48 Ca 0.69 -1.05 0.09 0.00 0.00 0.00 0.00 44.72 44.45 1nud s GLY 48 CO 0.32 -1.04 1.75 1.48 0.00 0.00 0.00 173.10 175.61 1nud h SER 49 N 3.08 0.69 -0.54 1.64 4.64 -2.02 -1.29 113.55 119.75 1nud h SER 49 Ca -0.47 0.12 -0.35 0.00 -0.47 0.00 0.00 61.79 60.62 1nud h SER 49 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1nud h SER 49 CO 0.66 0.16 0.42 -3.20 -0.87 0.00 0.00 176.83 174.00 1nud n ASN 50 N -4.82 6.50 -4.13 4.97 5.15 -1.26 -4.89 115.26 116.78 1nud n ASN 50 Ca 0.25 -3.09 -0.10 0.00 -0.60 0.00 0.00 54.58 51.04 1nud n ASN 50 Cb 0.70 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.77 1nud n ASN 50 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nud s GLU 51 N -1.84 0.72 -0.13 1.20 2.02 -0.49 -4.45 118.70 115.73 1nud s GLU 51 Ca 0.35 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 1nud s GLU 51 Cb 0.26 -0.13 0.04 0.00 0.10 0.00 0.00 34.13 34.40 1nud s GLU 51 CO -0.02 -0.03 0.40 0.50 0.02 0.00 0.00 175.26 176.13 1nud s ARG 52 N -3.36 0.52 -0.20 1.61 3.52 -0.82 -4.91 118.95 115.31 1nud s ARG 52 Ca 0.06 0.44 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1nud s ARG 52 Cb 0.03 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.70 1nud s ARG 52 CO -0.05 -0.08 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.68 1nud s LEU 53 N -0.06 2.37 -0.17 -0.88 1.43 -1.26 -1.04 118.68 119.07 1nud s LEU 53 Ca -0.02 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.22 1nud s LEU 53 Cb -0.03 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1nud s LEU 53 CO 0.01 -0.06 -0.01 -1.61 0.23 0.00 0.00 176.35 174.91 1nud s GLU 54 N 1.28 3.71 0.25 1.70 0.41 -0.62 -0.29 118.70 125.14 1nud s GLU 54 Ca 0.01 -0.49 -0.14 0.00 -0.41 0.00 0.00 54.97 53.94 1nud s GLU 54 Cb -0.15 -3.00 -0.08 0.00 -1.78 0.00 0.00 34.13 29.12 1nud s GLU 54 CO -0.11 0.20 0.65 -0.06 -0.49 0.00 0.00 175.26 175.45 1nud s PHE 55 N 0.51 3.48 -0.22 1.61 0.40 0.50 -0.73 117.98 123.52 1nud s PHE 55 Ca -0.02 1.14 -0.03 0.00 -0.60 0.00 0.00 56.93 57.43 1nud s PHE 55 Cb -0.14 -2.45 0.07 0.00 0.51 0.00 0.00 43.02 41.01 1nud s PHE 55 CO 0.02 0.25 0.06 0.42 0.70 0.00 0.00 175.22 176.67 1nud s ILE 56 N -1.75 0.51 0.02 0.64 1.01 -0.56 -1.63 121.20 119.44 1nud s ILE 56 Ca 0.47 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1nud s ILE 56 Cb -0.13 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1nud s ILE 56 CO 0.19 -0.34 0.04 0.68 0.00 0.00 0.00 174.94 175.51 1nud s VAL 57 N 1.85 4.38 -0.04 2.92 -7.23 -0.59 -0.28 120.40 121.40 1nud s VAL 57 Ca 0.02 -0.62 -0.18 0.00 -1.81 0.00 0.00 61.98 59.39 1nud s VAL 57 Cb -0.17 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.80 1nud s VAL 57 CO -0.13 0.30 0.40 -0.94 -0.31 0.00 0.00 175.10 174.41 1nud s SER 58 N -1.84 -0.32 0.02 4.85 1.04 -0.06 -1.49 113.70 115.89 1nud s SER 58 Ca 0.23 0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.90 1nud s SER 58 Cb -0.12 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 1nud s SER 58 CO 0.14 -0.44 0.14 0.28 0.98 0.00 0.00 173.24 174.35 1nud s THR 59 N -1.08 0.10 0.01 2.02 -1.32 -0.11 -0.24 115.64 115.02 1nud s THR 59 Ca -0.11 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1nud s THR 59 Cb -0.04 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1nud s THR 59 CO 0.05 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 1nud n GLY 60 N 1.16 -1.70 0.00 6.08 0.00 -1.26 -4.04 105.19 105.43 1nud n GLY 60 Ca -0.21 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1nud n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nud n PRO 61 N -1.97 0.60 -2.99 1.61 -0.04 -1.26 -4.18 135.00 126.77 1nud n PRO 61 Ca -0.00 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 1nud n PRO 61 Cb 0.02 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 1nud n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nud n TYR 62 N -1.15 -0.77 -1.47 0.54 4.01 -1.26 -5.05 117.16 112.01 1nud n TYR 62 Ca 0.16 -3.16 -0.52 0.00 -0.16 0.00 0.00 57.90 54.22 1nud n TYR 62 Cb 0.15 0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1nud n TYR 62 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1nud n PRO 63 N 0.25 0.24 -3.62 -0.72 -0.02 -1.26 -4.94 135.00 124.93 1nud n PRO 63 Ca 0.17 0.08 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 1nud n PRO 63 Cb 0.69 -1.34 -0.11 0.00 -0.02 0.00 0.00 33.50 32.71 1nud n PRO 63 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nud s SER 64 N -0.50 0.21 0.27 2.55 0.15 -1.25 -4.80 113.70 110.33 1nud s SER 64 Ca 0.74 0.64 0.01 0.00 0.70 0.00 0.00 55.95 58.04 1nud s SER 64 Cb -1.02 0.93 0.62 0.00 -1.71 0.00 0.00 66.02 64.84 1nud s SER 64 CO 0.56 -0.25 1.71 -0.33 1.20 0.00 0.00 173.24 176.13 1nud h GLU 65 N 8.24 0.42 0.00 5.44 3.07 -1.90 0.41 114.58 130.25 1nud h GLU 65 Ca -0.15 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 1nud h GLU 65 Cb 1.12 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1nud h GLU 65 CO 0.15 0.27 -0.30 0.66 -1.40 0.00 0.00 179.01 178.40 1nud h SER 66 N 0.43 0.00 0.48 1.42 4.64 -1.96 -2.54 113.55 116.01 1nud h SER 66 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1nud h SER 66 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1nud h SER 66 CO -0.48 0.30 -0.46 0.00 -0.87 0.00 0.00 176.83 175.32 1nud n ALA 67 N -2.26 3.46 -1.07 5.18 0.00 -0.13 -4.91 120.51 120.78 1nud n ALA 67 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1nud n ALA 67 Cb 0.47 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1nud n ALA 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nud n MET 68 N -1.41 -0.46 -0.25 0.00 0.00 -0.05 -4.79 117.12 110.16 1nud n MET 68 Ca 0.06 0.38 0.09 0.00 0.00 0.00 0.00 57.70 58.24 1nud n MET 68 Cb 0.34 -3.93 0.26 0.00 0.00 0.00 0.00 33.22 29.88 1nud n MET 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1nud n THR 69 N -2.78 0.67 -3.68 2.03 -2.24 -0.80 -4.66 114.28 102.82 1nud n THR 69 Ca -0.02 -0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 60.92 1nud n THR 69 Cb 0.15 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 1nud n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nud s LYS 70 N -1.33 0.63 -0.09 -0.78 2.20 -1.16 -0.93 119.74 118.27 1nud s LYS 70 Ca 0.37 0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 56.75 1nud s LYS 70 Cb 0.20 0.25 0.03 0.00 -1.51 0.00 0.00 37.83 36.79 1nud s LYS 70 CO 0.26 -0.10 0.24 0.00 -0.36 0.00 0.00 175.35 175.40 1nud s ALA 71 N 0.65 -0.60 -0.13 3.13 0.00 -0.56 -3.34 121.76 120.91 1nud s ALA 71 Ca -0.03 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1nud s ALA 71 Cb -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1nud s ALA 71 CO -0.04 -0.12 -0.18 0.08 0.00 0.00 0.00 175.76 175.49 1nud s VAL 72 N 0.24 1.80 -0.05 0.00 1.01 -1.26 -1.55 120.40 120.59 1nud s VAL 72 Ca -0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1nud s VAL 72 Cb -0.03 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1nud s VAL 72 CO -0.01 0.50 0.10 0.72 0.00 0.00 0.00 175.10 176.41 1nud s PHE 73 N 0.98 -0.09 0.49 5.22 -0.71 -0.65 -4.95 117.98 118.27 1nud s PHE 73 Ca -0.05 0.33 -0.20 0.00 -1.04 0.00 0.00 56.93 55.96 1nud s PHE 73 Cb -0.15 -0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.47 1nud s PHE 73 CO -0.03 -0.12 1.06 -1.25 -1.34 0.00 0.00 175.22 173.53 1nud s PRO 74 N 0.92 3.75 -0.77 1.99 0.04 -1.26 -0.37 135.00 139.30 1nud s PRO 74 Ca -0.07 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 1nud s PRO 74 Cb -0.10 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1nud s PRO 74 CO -0.04 -0.49 1.40 -1.17 0.04 0.00 0.00 177.00 176.75 1nud s LEU 75 N -3.48 3.23 0.00 -3.56 1.98 0.60 -4.13 118.68 113.32 1nud s LEU 75 Ca 0.68 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 51.41 1nud s LEU 75 Cb -0.18 -2.56 0.00 0.00 0.66 0.00 0.00 46.19 44.11 1nud s LEU 75 CO 0.22 -1.89 0.00 -1.20 -1.89 0.00 0.00 176.35 171.59 1nud n SER 76 N 9.88 0.00 -3.66 3.68 7.64 -0.71 -4.78 113.62 125.67 1nud n SER 76 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 1nud n SER 76 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1nud n SER 76 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1nud s ASN 77 N 0.42 -0.56 0.00 6.43 3.04 -1.26 -2.99 114.94 120.01 1nud s ASN 77 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 52.86 54.08 1nud s ASN 77 Cb 0.00 1.62 0.00 0.00 -1.54 0.00 0.00 41.25 41.33 1nud s ASN 77 CO 0.00 -0.23 0.00 0.61 -3.04 0.00 0.00 177.10 174.44 1nud n GLY 78 N 5.32 -1.24 3.34 1.21 0.00 -1.26 -4.98 105.19 107.58 1nud n GLY 78 Ca -0.11 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1nud n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nud n SER 79 N 0.00 -2.60 -2.31 1.61 2.88 -1.26 -4.91 113.62 107.03 1nud n SER 79 Ca 0.00 0.57 -0.09 0.00 -1.33 0.00 0.00 58.87 58.02 1nud n SER 79 Cb 0.00 -1.04 0.04 0.00 -0.75 0.00 0.00 64.21 62.47 1nud n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nud n SER 80 N 1.18 2.87 -0.83 -3.46 3.41 -1.26 -5.11 113.62 110.43 1nud n SER 80 Ca 0.08 -2.81 0.11 0.00 -0.26 0.00 0.00 58.87 56.00 1nud n SER 80 Cb 0.50 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1nud n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nud n GLY 81 N -0.60 -1.70 7.00 5.00 0.00 -1.26 -4.82 105.19 108.80 1nud n GLY 81 Ca 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1nud n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nud n GLY 82 N -2.94 2.80 3.93 -0.02 0.00 -1.26 -4.40 105.19 103.29 1nud n GLY 82 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1nud n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nud s TRP 83 N 0.00 3.48 -0.13 1.61 0.52 -1.26 -2.52 118.94 120.64 1nud s TRP 83 Ca 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 56.10 56.15 1nud s TRP 83 Cb 0.00 -1.84 0.11 0.00 -1.15 0.00 0.00 33.47 30.59 1nud s TRP 83 CO 0.00 0.41 0.92 -1.54 0.02 0.00 0.00 176.95 176.76 1nud s SER 84 N -3.07 -0.44 -0.13 2.95 1.04 -0.86 -4.64 113.70 108.55 1nud s SER 84 Ca 0.38 0.46 -0.00 0.00 0.48 0.00 0.00 55.95 57.27 1nud s SER 84 Cb -0.11 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.39 1nud s SER 84 CO 0.28 -0.41 -0.09 0.00 0.98 0.00 0.00 173.24 174.00 1nud s ALA 85 N -1.20 1.50 -0.15 5.32 0.00 -1.26 -0.53 121.76 125.43 1nud s ALA 85 Ca -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 1nud s ALA 85 Cb -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1nud s ALA 85 CO 0.03 -0.47 -0.05 0.08 0.00 0.00 0.00 175.76 175.35 1nud s VAL 86 N 1.64 3.78 -0.61 0.00 1.01 0.12 -1.74 120.40 124.59 1nud s VAL 86 Ca 0.04 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1nud s VAL 86 Cb -0.13 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1nud s VAL 86 CO -0.09 0.50 1.05 -0.22 0.00 0.00 0.00 175.10 176.34 1nud s LEU 87 N 0.36 3.90 0.08 3.92 2.96 -1.16 -1.19 118.68 127.55 1nud s LEU 87 Ca -0.05 -0.45 0.14 0.00 -0.22 0.00 0.00 54.13 53.55 1nud s LEU 87 Cb -0.14 -2.74 -0.14 0.00 0.50 0.00 0.00 46.19 43.67 1nud s LEU 87 CO 0.03 -1.43 0.96 1.56 -1.32 0.00 0.00 176.35 176.16 1nud h GLN 88 N 9.54 0.00 -1.86 1.98 4.20 -1.66 -3.49 115.11 123.82 1nud h GLN 88 Ca -0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1nud h GLN 88 Cb 1.07 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.64 1nud h GLN 88 CO 1.16 0.49 0.29 0.00 -0.67 0.00 0.00 178.83 180.10 1nud s ALA 89 N -2.81 -1.83 -0.22 3.87 0.00 -1.20 -5.01 121.76 114.57 1nud s ALA 89 Ca -0.02 1.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.45 1nud s ALA 89 Cb 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1nud s ALA 89 CO 0.80 -0.34 -0.04 -1.12 0.00 0.00 0.00 175.76 175.07 1nud s SER 90 N -0.91 3.54 -0.29 0.00 0.01 -1.26 -0.73 113.70 114.06 1nud s SER 90 Ca -0.07 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 56.17 1nud s SER 90 Cb -0.01 -1.03 0.08 0.00 0.21 0.00 0.00 66.02 65.27 1nud s SER 90 CO 0.06 -0.24 0.01 0.20 0.41 0.00 0.00 173.24 173.68 1nud s ASN 91 N 1.51 4.28 1.37 2.44 0.01 -0.45 -4.98 114.94 119.11 1nud s ASN 91 Ca -0.04 -1.66 0.00 0.00 -0.71 0.00 0.00 52.86 50.45 1nud s ASN 91 Cb -0.18 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.18 1nud s ASN 91 CO -0.07 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 1nud n GLY 92 N 4.54 2.78 0.97 0.66 0.00 -1.26 -1.55 105.19 111.33 1nud n GLY 92 Ca -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1nud n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nud n ASN 93 N 8.55 3.58 -4.52 1.61 3.02 -1.26 -4.62 115.26 121.61 1nud n ASN 93 Ca 0.00 -2.23 -0.39 0.00 -0.03 0.00 0.00 54.58 51.93 1nud n ASN 93 Cb 0.00 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 1nud n ASN 93 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nud s THR 94 N -1.41 5.11 -0.24 3.41 2.01 -0.60 0.12 115.64 124.05 1nud s THR 94 Ca 0.36 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 1nud s THR 94 Cb 0.21 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1nud s THR 94 CO 0.20 0.09 0.22 -0.76 -0.69 0.00 0.00 174.62 173.68 1nud s LEU 95 N 1.71 4.11 -0.28 4.42 1.43 0.13 -1.35 118.68 128.86 1nud s LEU 95 Ca 0.06 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 1nud s LEU 95 Cb -0.17 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1nud s LEU 95 CO 0.09 0.01 0.43 -0.89 0.23 0.00 0.00 176.35 176.23 1nud s THR 96 N 1.21 5.12 0.05 5.49 2.01 0.10 -0.30 115.64 129.31 1nud s THR 96 Ca 0.10 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.77 1nud s THR 96 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1nud s THR 96 CO 0.06 0.07 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.22 1nud s ILE 97 N 2.18 1.73 -0.28 1.82 1.01 0.65 -1.59 121.20 126.72 1nud s ILE 97 Ca 0.17 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1nud s ILE 97 Cb -0.16 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.87 1nud s ILE 97 CO 0.10 0.22 -0.06 -0.55 0.00 0.00 0.00 174.94 174.65 1nud s SER 98 N -1.21 4.63 -0.08 3.58 0.15 -0.33 0.10 113.70 120.53 1nud s SER 98 Ca 0.08 -1.40 -0.05 0.00 0.70 0.00 0.00 55.95 55.28 1nud s SER 98 Cb -0.09 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 1nud s SER 98 CO 0.02 -0.23 0.13 -0.63 1.20 0.00 0.00 173.24 173.73 1nud s ILE 99 N 1.15 5.28 0.01 6.45 1.01 -0.19 -0.70 121.20 134.20 1nud s ILE 99 Ca -0.06 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.67 1nud s ILE 99 Cb -0.20 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1nud s ILE 99 CO -0.04 0.53 -0.17 -0.94 0.00 0.00 0.00 174.94 174.33 1nud s SER 100 N -1.26 1.98 0.11 3.58 1.04 0.31 -1.03 113.70 118.43 1nud s SER 100 Ca 0.18 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1nud s SER 100 Cb -0.12 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1nud s SER 100 CO 0.08 0.17 0.04 -0.94 0.98 0.00 0.00 173.24 173.57 1nud s SER 101 N -0.65 5.19 0.29 7.02 1.04 -1.26 -2.04 113.70 123.30 1nud s SER 101 Ca 0.06 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 1nud s SER 101 Cb -0.07 -1.28 -0.10 0.00 0.10 0.00 0.00 66.02 64.68 1nud s SER 101 CO 0.00 0.14 1.11 -2.16 0.98 0.00 0.00 173.24 173.32 1nud s PRO 102 N -2.57 4.59 0.32 4.02 0.04 -1.05 -2.32 135.00 138.03 1nud s PRO 102 Ca 0.28 1.82 0.19 0.00 0.04 0.00 0.00 61.00 63.33 1nud s PRO 102 Cb -0.11 -3.14 1.04 0.00 0.04 0.00 0.00 34.50 32.33 1nud s PRO 102 CO 0.20 0.16 1.56 0.00 0.04 0.00 0.00 177.00 178.96 1nud n ALA 103 N 1.08 0.94 -0.49 8.56 0.00 -1.26 -1.18 120.51 128.17 1nud n ALA 103 Ca -0.01 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.69 1nud n ALA 103 Cb 0.45 -1.18 0.24 0.00 0.00 0.00 0.00 19.45 18.95 1nud n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nud n SER 104 N -2.19 3.63 -4.76 0.00 3.41 -1.26 -4.69 113.62 107.75 1nud n SER 104 Ca -0.01 -2.35 -0.36 0.00 -0.26 0.00 0.00 58.87 55.89 1nud n SER 104 Cb 0.10 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.67 1nud n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nud s ALA 105 N -1.63 2.70 0.22 7.33 0.00 -0.32 -4.78 121.76 125.28 1nud s ALA 105 Ca 0.36 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1nud s ALA 105 Cb 0.23 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1nud s ALA 105 CO 0.17 -0.93 1.24 -2.14 0.00 0.00 0.00 175.76 174.10 1nud s PRO 106 N -3.16 4.45 0.67 0.00 0.02 -1.26 -4.59 135.00 131.13 1nud s PRO 106 Ca 0.73 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.62 1nud s PRO 106 Cb -0.28 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1nud s PRO 106 CO 0.32 -0.12 1.05 0.96 -0.33 0.00 0.00 177.00 178.88 1nud s ILE 107 N -0.30 4.22 -3.07 2.83 -4.36 -0.37 -4.88 121.20 115.26 1nud s ILE 107 Ca 0.53 0.74 0.00 0.00 -0.26 0.00 0.00 60.65 61.65 1nud s ILE 107 Cb -0.35 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 39.83 1nud s ILE 107 CO 0.40 -0.93 0.00 0.61 0.24 0.00 0.00 174.94 175.26 1nud n GLY 108 N -2.16 0.80 3.68 6.27 0.00 -0.01 -4.88 105.19 108.88 1nud n GLY 108 Ca 0.07 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1nud n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nud s ARG 109 N -1.15 4.36 0.22 1.61 0.52 -1.26 -1.35 118.95 121.90 1nud s ARG 109 Ca 0.00 1.51 0.10 0.00 -0.52 0.00 0.00 55.73 56.82 1nud s ARG 109 Cb 0.00 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 1nud s ARG 109 CO 0.00 -0.44 -0.14 0.71 0.02 0.00 0.00 175.30 175.45 1nud s TYR 110 N 2.40 2.49 -0.06 -0.53 1.51 0.31 -4.15 117.35 119.32 1nud s TYR 110 Ca 0.51 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1nud s TYR 110 Cb -0.20 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1nud s TYR 110 CO 0.17 0.57 -0.22 0.99 -1.11 0.00 0.00 175.55 175.95 1nud s THR 111 N -1.96 2.30 -0.17 -0.71 2.01 0.66 -2.04 115.64 115.73 1nud s THR 111 Ca 0.26 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1nud s THR 111 Cb -0.07 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1nud s THR 111 CO 0.14 0.57 -0.19 -0.32 -0.69 0.00 0.00 174.62 174.13 1nud s MET 112 N -0.26 3.04 0.44 4.92 1.75 -0.66 -0.89 119.30 127.64 1nud s MET 112 Ca -0.00 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.67 1nud s MET 112 Cb -0.13 -2.56 -0.06 0.00 2.84 0.00 0.00 34.83 34.92 1nud s MET 112 CO 0.03 -0.13 0.03 0.00 -0.65 0.00 0.00 175.02 174.30 1nud s ALA 113 N 1.11 3.47 -0.01 4.11 0.00 0.62 0.54 121.76 131.60 1nud s ALA 113 Ca 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.22 1nud s ALA 113 Cb -0.14 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1nud s ALA 113 CO -0.08 -0.10 -0.10 -1.17 0.00 0.00 0.00 175.76 174.30 1nud s LEU 114 N -3.78 2.01 -0.11 0.00 2.96 0.18 -1.49 118.68 118.45 1nud s LEU 114 Ca 0.28 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1nud s LEU 114 Cb 0.07 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 1nud s LEU 114 CO 0.15 0.13 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.53 1nud s GLN 115 N -0.22 3.15 -0.10 1.98 0.74 0.09 -0.91 119.66 124.39 1nud s GLN 115 Ca 0.04 -0.78 0.03 0.00 0.05 0.00 0.00 55.36 54.69 1nud s GLN 115 Cb -0.04 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 1nud s GLN 115 CO -0.00 0.23 -0.21 0.42 -0.55 0.00 0.00 175.29 175.17 1nud s ILE 116 N 0.27 2.34 -0.43 -2.34 1.01 0.95 -1.58 121.20 121.42 1nud s ILE 116 Ca -0.13 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 1nud s ILE 116 Cb -0.16 -1.91 0.09 0.00 0.01 0.00 0.00 42.46 40.48 1nud s ILE 116 CO 0.07 0.55 0.27 -0.36 0.00 0.00 0.00 174.94 175.47 1nud s PHE 117 N 0.24 3.38 -0.05 3.97 0.08 -0.21 -1.27 117.98 124.13 1nud s PHE 117 Ca -0.14 -1.69 -0.02 0.00 0.12 0.00 0.00 56.93 55.20 1nud s PHE 117 Cb -0.17 -3.08 0.03 0.00 -0.57 0.00 0.00 43.02 39.24 1nud s PHE 117 CO 0.07 -0.89 0.10 0.45 -0.10 0.00 0.00 175.22 174.86 1nud s SER 118 N 2.19 -0.05 -1.32 1.36 0.15 -0.95 -1.95 113.70 113.12 1nud s SER 118 Ca 0.04 0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 1nud s SER 118 Cb -0.24 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1nud s SER 118 CO 0.01 -0.14 0.53 0.00 1.20 0.00 0.00 173.24 174.85 1nud n GLN 119 N 4.14 -2.70 -0.94 5.44 6.02 -1.26 -1.74 117.38 126.34 1nud n GLN 119 Ca -0.26 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1nud n GLN 119 Cb 0.52 -4.36 0.00 0.00 1.02 0.00 0.00 30.24 27.41 1nud n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nud n GLY 120 N -1.90 0.25 3.64 1.08 0.00 -1.26 -4.98 105.19 102.02 1nud n GLY 120 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1nud n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nud s GLY 121 N -2.00 2.62 -0.06 -0.02 0.00 -0.71 -5.14 107.32 102.01 1nud s GLY 121 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.12 1nud s GLY 121 CO 0.00 -2.08 -0.01 -0.42 0.00 0.00 0.00 173.10 170.59 1nud s ILE 122 N -2.87 0.41 0.30 0.90 1.01 -1.26 -2.25 121.20 117.44 1nud s ILE 122 Ca 0.25 0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.06 1nud s ILE 122 Cb 0.07 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 1nud s ILE 122 CO 0.13 0.25 -0.12 -0.94 0.00 0.00 0.00 174.94 174.25 1nud s SER 123 N 1.69 3.40 -0.01 3.58 1.04 -0.39 -4.96 113.70 118.05 1nud s SER 123 Ca 0.01 -1.13 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 1nud s SER 123 Cb -0.13 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.72 1nud s SER 123 CO -0.04 -0.15 0.22 -0.55 0.98 0.00 0.00 173.24 173.70 1nud s SER 124 N -3.52 -0.09 -0.02 7.02 0.15 -1.26 -0.03 113.70 115.95 1nud s SER 124 Ca 0.30 -0.04 -0.23 0.00 0.70 0.00 0.00 55.95 56.68 1nud s SER 124 Cb 0.00 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1nud s SER 124 CO 0.14 -0.39 0.50 0.54 1.20 0.00 0.00 173.24 175.23 1nud s VAL 125 N -1.28 0.03 0.15 4.45 0.11 -0.08 -4.99 120.40 118.78 1nud s VAL 125 Ca -0.13 -0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 58.43 1nud s VAL 125 Cb -0.06 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.88 1nud s VAL 125 CO 0.03 -0.13 0.75 -0.75 -3.33 0.00 0.00 175.10 171.66 1nud s LYS 126 N -1.40 4.52 -0.24 1.54 2.20 -1.26 0.52 119.74 125.61 1nud s LYS 126 Ca -0.11 1.10 -0.16 0.00 -0.36 0.00 0.00 55.97 56.44 1nud s LYS 126 Cb -0.02 -3.26 -0.11 0.00 -1.51 0.00 0.00 37.83 32.93 1nud s LYS 126 CO 0.06 0.58 -0.31 1.28 -0.36 0.00 0.00 175.35 176.60 1nud n LEU 127 N 1.63 1.94 0.00 5.43 4.77 0.19 -4.88 117.00 126.08 1nud n LEU 127 Ca -0.06 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1nud n LEU 127 Cb 0.49 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1nud n LEU 127 CO 0.45 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1nud n GLY 128 N 1.33 1.04 3.14 -0.72 0.00 -1.04 -5.02 105.19 103.92 1nud n GLY 128 Ca -0.40 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1nud n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nud s THR 129 N -1.50 0.08 0.08 2.61 -4.23 -1.26 -1.65 115.64 109.77 1nud s THR 129 Ca 0.00 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1nud s THR 129 Cb 0.00 -0.47 0.02 0.00 1.34 0.00 0.00 72.50 73.39 1nud s THR 129 CO 0.00 -0.34 0.28 0.72 -0.54 0.00 0.00 174.62 174.74 1nud s PHE 130 N -1.34 -0.03 -0.15 3.99 -0.71 -0.87 -4.33 117.98 114.55 1nud s PHE 130 Ca -0.14 -0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 55.41 1nud s PHE 130 Cb -0.07 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1nud s PHE 130 CO 0.02 -0.57 0.06 0.42 -1.34 0.00 0.00 175.22 173.81 1nud s ILE 131 N -3.42 4.76 -0.18 -4.49 1.01 0.46 -0.53 121.20 118.81 1nud s ILE 131 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 1nud s ILE 131 Cb 0.02 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1nud s ILE 131 CO -0.09 0.52 -0.10 -0.22 0.00 0.00 0.00 174.94 175.06 1nud s LEU 132 N -0.15 2.73 0.50 2.97 2.96 -0.45 -0.41 118.68 126.82 1nud s LEU 132 Ca 0.07 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1nud s LEU 132 Cb -0.12 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1nud s LEU 132 CO 0.01 0.05 0.14 -0.76 -1.32 0.00 0.00 176.35 174.47 1nud s LEU 133 N 1.05 2.57 0.66 -0.68 1.43 0.91 -0.83 118.68 123.79 1nud s LEU 133 Ca -0.00 -1.44 -0.15 0.00 -1.03 0.00 0.00 54.13 51.51 1nud s LEU 133 Cb -0.15 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1nud s LEU 133 CO -0.02 -0.84 1.12 -0.36 0.23 0.00 0.00 176.35 176.49 1nud s PHE 134 N -2.79 2.55 -0.64 0.29 0.08 -0.97 -1.27 117.98 115.22 1nud s PHE 134 Ca 0.21 1.56 0.05 0.00 0.12 0.00 0.00 56.93 58.86 1nud s PHE 134 Cb 0.02 -3.21 0.16 0.00 -0.57 0.00 0.00 43.02 39.41 1nud s PHE 134 CO 0.12 -1.80 0.42 1.21 -0.10 0.00 0.00 175.22 175.07 1nud s ASN 135 N -2.46 4.66 0.00 1.36 3.84 -1.26 -4.68 114.94 116.40 1nud s ASN 135 Ca 0.68 -3.57 0.00 0.00 0.21 0.00 0.00 52.86 50.18 1nud s ASN 135 Cb -0.22 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.84 1nud s ASN 135 CO 0.41 -0.13 0.85 -2.65 -2.79 0.00 0.00 177.10 172.79 1nud n PRO 136 N 2.35 0.00 0.04 0.43 -0.02 -1.26 -0.64 135.00 135.90 1nud n PRO 136 Ca 0.15 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1nud n PRO 136 Cb 0.34 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 1nud n PRO 136 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nud n TRP 137 N -1.35 0.39 -3.07 6.00 8.01 -1.26 -2.09 117.44 124.08 1nud n TRP 137 Ca 0.00 0.11 -0.42 0.00 -1.31 0.00 0.00 57.50 55.88 1nud n TRP 137 Cb 0.02 -0.59 -0.06 0.00 -2.01 0.00 0.00 31.31 28.67 1nud n TRP 137 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 1nud s LEU 138 N -4.45 4.23 0.64 -0.99 0.20 0.18 -4.95 118.68 113.55 1nud s LEU 138 Ca -0.00 0.17 0.27 0.00 0.69 0.00 0.00 54.13 55.26 1nud s LEU 138 Cb 0.13 -2.85 1.44 0.00 -0.43 0.00 0.00 46.19 44.47 1nud s LEU 138 CO 0.83 -0.65 1.82 -0.55 -0.29 0.00 0.00 176.35 177.51 1nud h ASN 139 N 8.50 0.00 0.03 3.68 -0.00 -1.89 -0.76 115.58 125.14 1nud h ASN 139 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.04 1nud h ASN 139 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.42 1nud h ASN 139 CO 0.86 0.00 -1.37 1.33 -0.00 0.00 0.00 177.43 178.25 1nud n VAL 140 N -3.10 0.01 -2.43 6.14 0.24 -1.26 -4.92 118.33 113.01 1nud n VAL 140 Ca 0.02 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 61.72 1nud n VAL 140 Cb 0.54 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 1nud n VAL 140 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1nud s ASP 141 N -3.62 7.17 0.36 -1.34 3.68 -0.29 -4.93 116.67 117.71 1nud s ASP 141 Ca 0.02 2.32 0.08 0.00 2.13 0.00 0.00 52.55 57.09 1nud s ASP 141 Cb 0.15 -2.63 0.79 0.00 -1.45 0.00 0.00 42.92 39.79 1nud s ASP 141 CO 0.88 -0.21 1.92 0.77 0.13 0.00 0.00 175.17 178.66 1nud h SER 142 N 3.69 0.64 0.00 -0.34 4.64 -1.86 -1.50 113.55 118.82 1nud h SER 142 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1nud h SER 142 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1nud h SER 142 CO 0.66 0.38 0.00 1.33 -0.87 0.00 0.00 176.83 178.33 1nud n VAL 143 N -4.51 0.00 -1.64 0.95 0.24 -1.26 -2.35 118.33 109.76 1nud n VAL 143 Ca 0.14 0.00 -0.48 0.00 -2.04 0.00 0.00 64.34 61.96 1nud n VAL 143 Cb 0.35 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 1nud n VAL 143 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1nud n PHE 144 N -0.42 1.98 -3.81 6.34 7.35 -0.57 -4.48 117.46 123.85 1nud n PHE 144 Ca 0.00 0.42 -0.25 0.00 -0.76 0.00 0.00 57.45 56.86 1nud n PHE 144 Cb 0.04 -2.46 -0.17 0.00 0.35 0.00 0.00 39.48 37.24 1nud n PHE 144 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1nud s MET 145 N 0.59 0.91 0.04 -4.13 -2.45 -0.89 -4.90 119.30 108.47 1nud s MET 145 Ca 0.79 -0.10 -0.17 0.00 -1.25 0.00 0.00 55.69 54.96 1nud s MET 145 Cb -0.77 -1.36 -0.23 0.00 1.25 0.00 0.00 34.83 33.72 1nud s MET 145 CO 0.42 -0.35 1.15 0.78 1.05 0.00 0.00 175.02 178.07 1nud h GLY 146 N 8.26 0.63 -4.87 2.11 0.00 -1.95 -3.44 103.07 103.82 1nud h GLY 146 Ca -0.22 -1.10 -0.55 0.00 0.00 0.00 0.00 47.33 45.45 1nud h GLY 146 CO 0.32 0.98 0.77 0.21 0.00 0.00 0.00 176.54 178.81 1nud s ASN 147 N -7.03 6.98 0.17 0.19 3.84 -1.26 -4.96 114.94 112.88 1nud s ASN 147 Ca -0.11 1.87 -0.19 0.00 0.21 0.00 0.00 52.86 54.63 1nud s ASN 147 Cb 0.05 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.29 1nud s ASN 147 CO 0.87 -0.65 1.63 -0.74 -2.79 0.00 0.00 177.10 175.43 1nud h HIS 148 N 7.70 -0.53 -0.40 0.43 -0.00 -2.00 -1.74 115.15 118.62 1nud h HIS 148 Ca -0.34 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.05 1nud h HIS 148 Cb 1.16 0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 28.84 1nud h HIS 148 CO 0.75 -0.29 0.12 0.00 -0.00 0.00 0.00 177.93 178.51 1nud h ALA 149 N 1.11 1.47 0.30 5.26 0.00 -1.99 -1.73 119.26 123.67 1nud h ALA 149 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nud h ALA 149 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nud h ALA 149 CO -0.48 0.40 -0.15 0.93 0.00 0.00 0.00 179.25 179.95 1nud h GLU 150 N 0.57 -0.39 -0.45 0.00 5.08 -1.81 -2.15 114.58 115.42 1nud h GLU 150 Ca 0.13 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1nud h GLU 150 Cb 0.19 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1nud h GLU 150 CO -0.01 -0.07 0.32 -0.09 -1.00 0.00 0.00 179.01 178.16 1nud h ARG 151 N -0.95 0.13 -0.16 2.33 2.43 -1.34 0.44 114.38 117.26 1nud h ARG 151 Ca -0.04 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1nud h ARG 151 Cb 0.50 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1nud h ARG 151 CO 0.07 0.08 -0.11 0.93 -1.51 0.00 0.00 179.97 179.43 1nud h GLU 152 N 0.13 0.35 -0.15 0.20 4.39 -1.30 -1.90 114.58 116.30 1nud h GLU 152 Ca 0.21 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1nud h GLU 152 Cb 0.68 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1nud h GLU 152 CO -0.03 0.70 -0.55 1.49 -1.16 0.00 0.00 179.01 179.46 1nud h GLU 153 N 0.00 0.44 -0.17 2.33 4.57 -0.39 0.16 114.58 121.53 1nud h GLU 153 Ca 0.03 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1nud h GLU 153 Cb 0.62 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1nud h GLU 153 CO 0.03 0.88 0.00 0.66 -1.18 0.00 0.00 179.01 179.40 1nud n TYR 154 N -3.94 0.21 0.00 0.92 4.01 0.14 -4.20 117.16 114.30 1nud n TYR 154 Ca -0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1nud n TYR 154 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1nud n TYR 154 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1nud n VAL 155 N 0.86 0.00 0.12 -0.72 0.31 -0.72 -1.38 118.33 116.80 1nud n VAL 155 Ca 0.17 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.53 1nud n VAL 155 Cb 0.47 -0.60 0.01 0.00 -0.91 0.00 0.00 33.84 32.81 1nud n VAL 155 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1nud h GLN 156 N 0.00 0.00 -6.33 5.55 1.08 -0.74 -3.45 115.11 111.22 1nud h GLN 156 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1nud h GLN 156 Cb 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1nud h GLN 156 CO 0.00 0.42 0.68 -2.00 -0.95 0.00 0.00 178.83 176.98 1nud s GLU 157 N -2.98 4.36 0.00 1.46 2.56 -0.21 -4.93 118.70 118.97 1nud s GLU 157 Ca 0.03 1.67 0.16 0.00 0.00 0.00 0.00 54.97 56.83 1nud s GLU 157 Cb 0.08 -3.54 0.34 0.00 2.00 0.00 0.00 34.13 33.01 1nud s GLU 157 CO 0.76 -0.42 1.26 -0.40 -0.56 0.00 0.00 175.26 175.89 1nud n ASP 158 N 5.06 3.03 -4.64 -1.70 5.75 -1.26 -4.93 116.55 117.86 1nud n ASP 158 Ca 0.11 -1.89 -0.32 0.00 -0.01 0.00 0.00 54.79 52.67 1nud n ASP 158 Cb 0.46 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.24 1nud n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nud s ALA 159 N -1.15 3.15 0.26 2.12 0.00 -1.26 -2.30 121.76 122.57 1nud s ALA 159 Ca 0.29 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1nud s ALA 159 Cb 0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1nud s ALA 159 CO 0.23 0.63 0.14 0.20 0.00 0.00 0.00 175.76 176.96 1nud s GLY 160 N -1.48 1.76 -0.17 0.00 0.00 0.10 -4.91 107.32 102.63 1nud s GLY 160 Ca 0.18 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 1nud s GLY 160 CO 0.09 -1.51 0.19 -0.42 0.00 0.00 0.00 173.10 171.45 1nud s ILE 161 N -3.84 -0.29 -0.29 0.90 -1.09 -1.26 -1.59 121.20 113.75 1nud s ILE 161 Ca 0.38 0.02 -0.05 0.00 -2.23 0.00 0.00 60.65 58.76 1nud s ILE 161 Cb 0.06 -0.56 0.02 0.00 -1.58 0.00 0.00 42.46 40.40 1nud s ILE 161 CO 0.15 -0.11 0.04 -0.63 -1.23 0.00 0.00 174.94 173.17 1nud s ILE 162 N 2.30 3.65 0.27 2.92 1.01 -0.13 -4.30 121.20 126.92 1nud s ILE 162 Ca 0.05 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1nud s ILE 162 Cb -0.15 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 1nud s ILE 162 CO -0.10 0.09 1.16 -0.36 0.00 0.00 0.00 174.94 175.73 1nud s PHE 163 N 1.44 3.44 0.00 3.97 0.40 -1.26 -1.65 117.98 124.32 1nud s PHE 163 Ca 0.01 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 1nud s PHE 163 Cb -0.17 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 39.96 1nud s PHE 163 CO 0.01 -0.96 0.00 1.33 0.70 0.00 0.00 175.22 176.30 1nud n VAL 164 N 1.45 0.00 0.00 -0.44 0.24 0.97 -4.82 118.33 115.73 1nud n VAL 164 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nud n VAL 164 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1nud n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nud n GLY 165 N 0.74 0.81 3.39 7.63 0.00 -1.26 0.13 105.19 116.63 1nud n GLY 165 Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 1nud n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nud s SER 166 N -4.00 0.02 0.00 1.61 1.04 -0.98 -4.51 113.70 106.88 1nud s SER 166 Ca 0.00 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1nud s SER 166 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1nud s SER 166 CO 0.00 -0.96 0.64 0.35 0.98 0.00 0.00 173.24 174.25 1nud n THR 167 N -0.28 0.76 0.65 2.02 -2.24 -1.26 -0.45 114.28 113.47 1nud n THR 167 Ca -0.04 0.23 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 1nud n THR 167 Cb 0.63 -1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 1nud n THR 167 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1nud n ASN 168 N -1.14 0.80 -3.15 3.42 5.03 -1.26 -4.89 115.26 114.06 1nud n ASN 168 Ca 0.00 -0.69 0.06 0.00 0.87 0.00 0.00 54.58 54.82 1nud n ASN 168 Cb 0.04 1.24 -0.01 0.00 -1.02 0.00 0.00 39.78 40.04 1nud n ASN 168 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nud s ARG 169 N -2.94 0.13 0.00 3.52 1.70 0.40 -5.14 118.95 116.62 1nud s ARG 169 Ca 0.03 0.16 -0.27 0.00 -0.47 0.00 0.00 55.73 55.19 1nud s ARG 169 Cb 0.14 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1nud s ARG 169 CO 0.79 -0.20 0.84 0.42 -1.08 0.00 0.00 175.30 176.06 1nud s ILE 170 N 2.96 4.85 0.14 4.99 1.01 -1.21 -2.33 121.20 131.62 1nud s ILE 170 Ca 0.17 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1nud s ILE 170 Cb -0.04 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 1nud s ILE 170 CO -0.18 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1nud n GLY 171 N 2.77 4.01 3.19 6.18 0.00 0.12 -4.94 105.19 116.52 1nud n GLY 171 Ca 0.01 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 1nud n GLY 171 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nud s MET 172 N -2.51 0.74 -0.01 1.61 0.23 -1.26 -0.02 119.30 118.08 1nud s MET 172 Ca 0.00 -0.70 0.01 0.00 -1.03 0.00 0.00 55.69 53.97 1nud s MET 172 Cb 0.00 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 1nud s MET 172 CO 0.00 -0.22 -0.03 0.96 -2.03 0.00 0.00 175.02 173.70 1nud s ILE 173 N -2.89 0.26 0.23 3.16 -4.36 -0.66 -4.88 121.20 112.06 1nud s ILE 173 Ca -0.03 -0.11 -0.24 0.00 -0.26 0.00 0.00 60.65 60.01 1nud s ILE 173 Cb 0.00 -0.24 -0.09 0.00 1.25 0.00 0.00 42.46 43.39 1nud s ILE 173 CO -0.06 0.09 0.82 -0.83 0.24 0.00 0.00 174.94 175.20 1nud s GLY 174 N 0.09 2.82 -0.01 6.27 0.00 -1.26 -0.95 107.32 114.28 1nud s GLY 174 Ca -0.01 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.12 1nud s GLY 174 CO -0.00 0.82 -0.11 0.86 0.00 0.00 0.00 173.10 174.67 1nud s TRP 175 N -1.39 1.00 -0.46 1.90 -0.11 -0.62 -4.83 118.94 114.43 1nud s TRP 175 Ca 0.42 -0.19 -0.12 0.00 1.22 0.00 0.00 56.10 57.43 1nud s TRP 175 Cb -0.20 -0.65 0.09 0.00 -1.50 0.00 0.00 33.47 31.21 1nud s TRP 175 CO 0.25 -0.02 0.34 1.21 -4.62 0.00 0.00 176.95 174.10 1nud s ASN 176 N -0.24 5.86 0.03 5.86 2.47 0.12 0.01 114.94 129.04 1nud s ASN 176 Ca 0.04 -1.56 -0.25 0.00 0.42 0.00 0.00 52.86 51.51 1nud s ASN 176 Cb -0.05 -2.07 -0.18 0.00 -1.45 0.00 0.00 41.25 37.50 1nud s ASN 176 CO -0.00 -0.63 1.46 -0.26 -3.72 0.00 0.00 177.10 173.94 1nud h PHE 177 N 8.57 -0.03 -5.96 0.43 0.05 -1.78 -1.15 116.94 117.07 1nud h PHE 177 Ca -0.25 -0.00 -0.40 0.00 3.82 0.00 0.00 57.97 61.14 1nud h PHE 177 Cb 1.09 0.01 0.09 0.00 2.00 0.00 0.00 35.95 39.14 1nud h PHE 177 CO 0.64 0.25 -0.77 0.41 -0.18 0.00 0.00 178.31 178.66 1nud n GLY 178 N -0.35 -0.40 0.23 -1.45 0.00 -1.20 -4.18 105.19 97.84 1nud n GLY 178 Ca -0.08 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1nud n GLY 178 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1nud h GLN 179 N -2.10 0.00 -0.12 1.61 -0.00 -1.87 -2.72 115.11 109.90 1nud h GLN 179 Ca -0.59 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 1nud h GLN 179 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.84 1nud h GLN 179 CO 0.57 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 180.59 1nud n PHE 180 N -2.79 0.13 -2.08 0.06 3.72 -1.26 -4.12 117.46 111.11 1nud n PHE 180 Ca 0.01 -0.06 -0.33 0.00 -0.05 0.00 0.00 57.45 57.02 1nud n PHE 180 Cb 0.28 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 1nud n PHE 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1nud s GLU 181 N -1.87 3.34 0.01 -1.08 0.41 -1.03 -1.88 118.70 116.61 1nud s GLU 181 Ca 0.32 1.23 -0.38 0.00 -0.41 0.00 0.00 54.97 55.73 1nud s GLU 181 Cb 0.21 -2.03 -0.17 0.00 -1.78 0.00 0.00 34.13 30.35 1nud s GLU 181 CO 0.31 -0.80 1.35 -1.91 -0.49 0.00 0.00 175.26 173.72 1nud n GLU 182 N -1.95 0.94 0.00 1.61 4.07 -1.26 -1.27 120.64 122.77 1nud n GLU 182 Ca 0.09 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1nud n GLU 182 Cb 0.53 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 1nud n GLU 182 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1nud n ASP 183 N 2.74 0.00 -0.20 4.31 4.64 -1.26 -4.86 116.55 121.92 1nud n ASP 183 Ca 0.20 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.59 1nud n ASP 183 Cb 0.16 -0.54 0.09 0.00 -1.04 0.00 0.00 41.12 39.79 1nud n ASP 183 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1nud h ILE 184 N 0.00 0.91 -0.49 5.18 1.08 -1.49 -1.32 117.51 121.38 1nud h ILE 184 Ca 0.00 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1nud h ILE 184 Cb 0.00 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1nud h ILE 184 CO 0.00 0.10 0.15 0.25 -0.69 0.00 0.00 178.15 177.96 1nud h LEU 185 N 0.55 0.72 -0.73 1.44 5.85 -1.76 -2.34 115.31 119.05 1nud h LEU 185 Ca 0.28 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1nud h LEU 185 Cb 0.23 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1nud h LEU 185 CO -0.21 0.74 0.39 -1.28 -0.34 0.00 0.00 178.44 177.75 1nud h SER 186 N 0.66 0.55 -0.29 1.25 0.87 -1.79 -0.32 113.55 114.48 1nud h SER 186 Ca 0.16 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.59 1nud h SER 186 Cb 0.29 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1nud h SER 186 CO -0.00 0.33 -0.50 0.40 -0.53 0.00 0.00 176.83 176.52 1nud h ILE 187 N 0.68 1.28 0.00 2.23 2.04 -1.18 -1.30 117.51 121.26 1nud h ILE 187 Ca 0.34 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.43 1nud h ILE 187 Cb 0.30 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1nud h ILE 187 CO -0.23 0.55 -0.39 0.00 0.00 0.00 0.00 178.15 178.07 1nud h LEU 189 N 0.00 0.33 -1.89 0.00 3.38 -0.95 -3.22 115.31 112.96 1nud h LEU 189 Ca -0.00 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 1nud h LEU 189 Cb 0.75 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1nud h LEU 189 CO 0.05 0.87 0.05 0.77 0.09 0.00 0.00 178.44 180.27 1nud h SER 190 N -0.19 0.11 -0.94 -0.43 4.64 -0.75 -1.93 113.55 114.05 1nud h SER 190 Ca -0.00 -0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 1nud h SER 190 Cb 0.83 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.78 1nud h SER 190 CO 0.05 0.09 0.51 0.40 -0.87 0.00 0.00 176.83 177.01 1nud h ILE 191 N 0.12 0.63 0.00 0.95 2.04 -1.01 0.40 117.51 120.64 1nud h ILE 191 Ca 0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1nud h ILE 191 Cb 0.01 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1nud h ILE 191 CO -0.01 0.11 -0.09 -0.07 0.00 0.00 0.00 178.15 178.09 1nud h LEU 192 N 0.61 0.00 -1.16 1.44 3.38 -1.48 -1.02 115.31 117.09 1nud h LEU 192 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1nud h LEU 192 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1nud h LEU 192 CO -0.42 0.09 0.00 0.47 0.09 0.00 0.00 178.44 178.67 1nud n ASP 193 N -3.67 1.69 0.00 -0.43 8.00 0.14 -3.83 116.55 118.45 1nud n ASP 193 Ca -0.02 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1nud n ASP 193 Cb 0.21 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1nud n ASP 193 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nud n ARG 194 N 0.41 4.27 -0.63 -1.24 5.12 -0.41 -4.91 116.66 119.28 1nud n ARG 194 Ca 0.11 -0.05 -0.29 0.00 -1.93 0.00 0.00 57.85 55.69 1nud n ARG 194 Cb 0.28 -0.44 0.22 0.00 -1.16 0.00 0.00 32.46 31.36 1nud n ARG 194 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1nud s SER 195 N -0.63 1.57 0.22 0.55 1.04 -1.09 -4.87 113.70 110.50 1nud s SER 195 Ca 0.00 1.66 -0.05 0.00 0.48 0.00 0.00 55.95 58.04 1nud s SER 195 Cb 0.00 -2.35 0.19 0.00 0.10 0.00 0.00 66.02 63.97 1nud s SER 195 CO 0.00 -3.85 1.66 -0.07 0.98 0.00 0.00 173.24 171.96 1nud h LEU 196 N -2.39 0.84 -1.06 2.42 3.38 -1.94 -2.89 115.31 113.67 1nud h LEU 196 Ca -0.57 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.22 1nud h LEU 196 Cb 1.32 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1nud h LEU 196 CO 0.49 0.98 0.62 0.78 0.09 0.00 0.00 178.44 181.40 1nud h ASN 197 N 0.76 0.95 0.06 -0.43 4.21 -1.95 -1.14 115.58 118.04 1nud h ASN 197 Ca 0.12 0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.47 1nud h ASN 197 Cb 0.64 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1nud h ASN 197 CO 0.04 0.58 -0.64 0.15 -1.29 0.00 0.00 177.43 176.27 1nud h PHE 198 N 1.06 0.73 0.00 1.19 3.04 -1.77 -2.67 116.94 118.52 1nud h PHE 198 Ca 0.44 -0.29 -0.13 0.00 3.98 0.00 0.00 57.97 61.97 1nud h PHE 198 Cb 0.30 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1nud h PHE 198 CO -0.00 1.05 -0.63 0.00 -2.02 0.00 0.00 178.31 176.71 1nud h ARG 199 N 0.41 0.00 0.00 1.11 3.08 -1.32 0.56 114.38 118.22 1nud h ARG 199 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1nud h ARG 199 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1nud h ARG 199 CO 0.12 0.63 -0.45 -0.09 -1.07 0.00 0.00 179.97 179.11 1nud h ARG 200 N 0.00 0.00 -0.09 0.04 2.43 -1.18 -3.42 114.38 112.16 1nud h ARG 200 Ca -0.01 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1nud h ARG 200 Cb 1.17 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.56 1nud h ARG 200 CO 0.08 0.45 -0.08 0.34 -1.51 0.00 0.00 179.97 179.25 1nud s ASP 201 N -6.43 -0.14 0.21 -3.80 -1.08 -1.01 -5.06 116.67 99.35 1nud s ASP 201 Ca 0.02 -0.14 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 1nud s ASP 201 Cb 0.09 0.18 0.27 0.00 -1.46 0.00 0.00 42.92 42.00 1nud s ASP 201 CO 0.72 -0.01 1.67 0.00 0.52 0.00 0.00 175.17 178.07 1nud h ALA 202 N 4.38 0.59 0.25 3.66 0.00 -1.08 -1.89 119.26 125.16 1nud h ALA 202 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nud h ALA 202 Cb 1.19 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1nud h ALA 202 CO -0.12 -0.38 -0.35 0.00 0.00 0.00 0.00 179.25 178.40 1nud h ALA 203 N 1.52 -0.97 -0.32 0.00 0.00 -1.94 -2.19 119.26 115.37 1nud h ALA 203 Ca 0.30 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1nud h ALA 203 Cb 0.48 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nud h ALA 203 CO -0.48 -1.01 0.22 1.15 0.00 0.00 0.00 179.25 179.13 1nud h THR 204 N -0.63 0.89 0.75 0.00 2.02 -1.90 -1.91 112.91 112.13 1nud h THR 204 Ca -0.03 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1nud h THR 204 Cb 0.57 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1nud h THR 204 CO -0.10 0.02 -0.36 -0.78 0.37 0.00 0.00 175.52 174.67 1nud h ASP 205 N 0.09 -0.85 -0.70 4.18 3.58 -1.03 -1.25 116.42 120.43 1nud h ASP 205 Ca 0.15 0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.75 1nud h ASP 205 Cb 0.47 0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.64 1nud h ASP 205 CO -0.01 -0.49 0.24 0.58 -2.88 0.00 0.00 179.24 176.68 1nud h VAL 206 N -1.25 0.64 -0.80 2.25 2.07 -1.17 0.20 116.25 118.19 1nud h VAL 206 Ca -0.10 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1nud h VAL 206 Cb 0.78 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1nud h VAL 206 CO 0.17 0.07 0.52 0.00 0.02 0.00 0.00 177.57 178.35 1nud h ALA 207 N 1.53 1.71 0.00 1.67 0.00 -1.28 0.12 119.26 123.01 1nud h ALA 207 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1nud h ALA 207 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nud h ALA 207 CO -0.41 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.40 1nud n SER 208 N -4.50 0.07 -0.17 0.00 7.64 0.61 -3.76 113.62 113.51 1nud n SER 208 Ca 0.13 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1nud n SER 208 Cb 0.29 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1nud n SER 208 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nud n ARG 209 N -1.57 0.34 -0.37 1.43 1.74 0.03 -1.86 116.66 116.40 1nud n ARG 209 Ca 0.06 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.23 1nud n ARG 209 Cb 0.32 -1.06 0.26 0.00 -1.02 0.00 0.00 32.46 30.96 1nud n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1nud n ASN 210 N -0.22 3.76 -3.91 0.55 6.94 -1.25 -1.24 115.26 119.89 1nud n ASN 210 Ca 0.00 -2.22 -0.27 0.00 -0.02 0.00 0.00 54.58 52.07 1nud n ASN 210 Cb 0.03 -0.42 -0.17 0.00 -2.36 0.00 0.00 39.78 36.86 1nud n ASN 210 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nud s ASP 211 N -1.08 2.19 0.43 0.53 2.15 -0.78 -4.85 116.67 115.25 1nud s ASP 211 Ca 0.39 -0.31 0.10 0.00 0.43 0.00 0.00 52.55 53.16 1nud s ASP 211 Cb 0.23 -0.85 0.94 0.00 -0.30 0.00 0.00 42.92 42.94 1nud s ASP 211 CO 0.22 -0.11 2.04 1.55 -0.17 0.00 0.00 175.17 178.69 1nud h PRO 212 N 8.16 0.46 -0.28 4.34 0.13 -1.91 -0.70 132.00 142.19 1nud h PRO 212 Ca -0.30 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1nud h PRO 212 Cb 1.13 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1nud h PRO 212 CO 0.41 0.30 0.14 0.87 -0.23 0.00 0.00 178.00 179.50 1nud h LYS 213 N 0.47 0.40 0.52 0.86 1.57 -1.95 0.23 116.57 118.67 1nud h LYS 213 Ca 0.18 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1nud h LYS 213 Cb 0.14 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1nud h LYS 213 CO -0.04 0.37 -0.25 -0.92 -0.57 0.00 0.00 179.45 178.04 1nud h TYR 214 N 0.33 -0.65 -0.54 -1.35 3.20 -1.63 -1.47 116.97 114.87 1nud h TYR 214 Ca 0.10 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1nud h TYR 214 Cb 0.10 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1nud h TYR 214 CO -0.02 -0.33 0.13 0.28 -1.64 0.00 0.00 178.16 176.58 1nud h VAL 215 N -0.96 0.72 -0.03 1.81 2.07 -1.15 0.86 116.25 119.58 1nud h VAL 215 Ca -0.07 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1nud h VAL 215 Cb 0.62 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1nud h VAL 215 CO 0.12 0.05 -0.09 1.23 0.02 0.00 0.00 177.57 178.90 1nud h GLY 216 N 0.28 -0.08 1.40 2.17 0.00 -0.52 -0.46 103.07 105.86 1nud h GLY 216 Ca 0.27 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 1nud h GLY 216 CO -0.33 -0.10 0.12 -0.09 0.00 0.00 0.00 176.54 176.15 1nud h ARG 217 N -0.14 0.76 -0.04 4.80 2.43 -0.55 -1.56 114.38 120.08 1nud h ARG 217 Ca 0.05 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1nud h ARG 217 Cb 0.20 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1nud h ARG 217 CO -0.11 0.69 0.00 0.28 -1.51 0.00 0.00 179.97 179.32 1nud h VAL 218 N 0.74 1.22 -0.97 0.20 2.07 -0.52 -2.95 116.25 116.04 1nud h VAL 218 Ca 0.17 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 67.12 1nud h VAL 218 Cb 0.27 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 1nud h VAL 218 CO -0.00 0.18 0.62 -0.07 0.02 0.00 0.00 177.57 178.32 1nud h LEU 219 N -0.20 0.90 0.00 2.57 3.38 -0.74 -0.17 115.31 121.05 1nud h LEU 219 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nud h LEU 219 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1nud h LEU 219 CO 0.00 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 177.50 1nud n SER 220 N -4.57 0.00 -0.04 -0.43 3.41 -0.62 -1.32 113.62 110.05 1nud n SER 220 Ca 0.17 0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.85 1nud n SER 220 Cb 0.32 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1nud n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nud n ALA 221 N -1.21 1.89 1.09 7.33 0.00 -0.17 -4.21 120.51 125.24 1nud n ALA 221 Ca 0.03 -0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.25 1nud n ALA 221 Cb 0.03 0.33 0.58 0.00 0.00 0.00 0.00 19.45 20.39 1nud n ALA 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nud n MET 222 N -2.78 0.34 0.13 0.00 2.00 -0.63 -2.77 117.12 113.41 1nud n MET 222 Ca -0.14 0.07 0.12 0.00 0.00 0.00 0.00 57.70 57.75 1nud n MET 222 Cb 0.64 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.45 1nud n MET 222 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1nud h ILE 223 N 0.00 0.00 -3.28 2.02 1.08 -1.46 -2.02 117.51 113.85 1nud h ILE 223 Ca 0.00 -0.92 -0.65 0.00 -0.39 0.00 0.00 64.86 62.90 1nud h ILE 223 Cb 0.20 1.59 -0.11 0.00 -3.07 0.00 0.00 36.82 35.43 1nud h ILE 223 CO 0.00 0.00 -0.63 0.54 -0.69 0.00 0.00 178.15 177.37 1nud s ASN 224 N -5.44 5.26 0.54 1.72 2.20 -1.12 -0.68 114.94 117.43 1nud s ASN 224 Ca 0.03 -0.06 0.32 0.00 -0.94 0.00 0.00 52.86 52.21 1nud s ASN 224 Cb 0.09 -1.35 1.47 0.00 -2.00 0.00 0.00 41.25 39.45 1nud s ASN 224 CO 0.74 0.20 2.04 0.77 -2.94 0.00 0.00 177.10 177.91 1nud h SER 225 N 3.62 0.00 -2.84 3.54 4.64 0.16 -3.14 113.55 119.53 1nud h SER 225 Ca -0.48 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 1nud h SER 225 Cb 1.17 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.39 1nud h SER 225 CO 0.62 0.07 0.06 0.59 -0.87 0.00 0.00 176.83 177.30 1nud n ASN 226 N -3.28 0.90 0.00 4.97 3.02 -1.26 -1.53 115.26 118.08 1nud n ASN 226 Ca -0.01 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1nud n ASN 226 Cb 0.28 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 1nud n ASN 226 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nud n ASP 227 N 0.73 0.00 -0.19 6.41 8.00 -1.26 -4.32 116.55 125.92 1nud n ASP 227 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1nud n ASP 227 Cb 0.38 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1nud n ASP 227 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1nud n ASP 228 N 0.00 0.23 -1.78 -2.24 5.68 -1.20 -4.99 116.55 112.26 1nud n ASP 228 Ca 0.00 -1.54 -0.14 0.00 -0.50 0.00 0.00 54.79 52.62 1nud n ASP 228 Cb 0.00 -0.10 0.01 0.00 -1.14 0.00 0.00 41.12 39.90 1nud n ASP 228 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nud n ASN 229 N -0.10 -4.27 -2.94 -1.12 5.03 -0.58 -4.93 115.26 106.35 1nud n ASN 229 Ca 0.01 -0.12 -0.02 0.00 0.87 0.00 0.00 54.58 55.32 1nud n ASN 229 Cb 0.57 -3.26 0.02 0.00 -1.02 0.00 0.00 39.78 36.09 1nud n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nud n GLY 230 N -1.15 -3.52 0.19 7.41 0.00 -1.13 -4.80 105.19 102.19 1nud n GLY 230 Ca -0.10 -1.27 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 1nud n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nud h VAL 231 N -2.02 0.00 -2.78 1.61 2.07 -1.42 -3.37 116.25 110.34 1nud h VAL 231 Ca -0.03 -0.29 -0.65 0.00 0.82 0.00 0.00 66.70 66.55 1nud h VAL 231 Cb 0.09 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.79 1nud h VAL 231 CO 0.02 0.00 -0.46 -0.76 0.02 0.00 0.00 177.57 176.39 1nud s LEU 232 N -7.31 4.36 -0.25 2.57 1.43 0.14 -0.60 118.68 119.03 1nud s LEU 232 Ca -0.07 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1nud s LEU 232 Cb 0.01 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1nud s LEU 232 CO 0.20 0.36 0.07 0.00 0.23 0.00 0.00 176.35 177.21 1nud s ALA 233 N -0.79 3.17 0.90 4.21 0.00 -0.32 0.17 121.76 129.10 1nud s ALA 233 Ca 0.15 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 1nud s ALA 233 Cb -0.12 -2.08 0.17 0.00 0.00 0.00 0.00 23.12 21.09 1nud s ALA 233 CO 0.04 -0.47 1.25 0.20 0.00 0.00 0.00 175.76 176.77 1nud s GLY 234 N 1.59 1.75 -0.30 0.00 0.00 -1.26 -1.18 107.32 107.92 1nud s GLY 234 Ca 0.06 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 1nud s GLY 234 CO 0.04 -0.51 1.25 0.21 0.00 0.00 0.00 173.10 174.10 1nud s ASN 235 N -4.82 -0.11 -0.16 1.64 3.04 -1.03 -4.69 114.94 108.82 1nud s ASN 235 Ca 0.71 0.13 0.16 0.00 0.04 0.00 0.00 52.86 53.90 1nud s ASN 235 Cb -0.05 1.12 0.33 0.00 -1.54 0.00 0.00 41.25 41.11 1nud s ASN 235 CO 0.51 -0.02 1.17 0.79 -3.04 0.00 0.00 177.10 176.51 1nud n TRP 236 N 4.79 0.00 0.44 0.43 8.01 -1.26 -4.70 117.44 125.15 1nud n TRP 236 Ca -0.07 -1.16 0.12 0.00 -1.31 0.00 0.00 57.50 55.08 1nud n TRP 236 Cb 0.55 -0.18 0.23 0.00 -2.01 0.00 0.00 31.31 29.90 1nud n TRP 236 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1nud h SER 237 N 0.33 0.00 0.00 -0.99 4.64 -1.99 -3.46 113.55 112.08 1nud h SER 237 Ca -0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1nud h SER 237 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1nud h SER 237 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1nud n GLY 238 N 1.25 1.50 3.07 -0.77 0.00 -1.26 -4.99 105.19 103.98 1nud n GLY 238 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1nud n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nud s THR 239 N -2.85 1.87 -0.11 2.61 2.01 -1.26 -4.90 115.64 113.01 1nud s THR 239 Ca 0.00 -0.90 0.11 0.00 0.31 0.00 0.00 61.69 61.21 1nud s THR 239 Cb 0.00 -1.76 0.18 0.00 0.01 0.00 0.00 72.50 70.94 1nud s THR 239 CO 0.00 0.44 1.11 -1.22 -0.69 0.00 0.00 174.62 174.25 1nud n TYR 240 N 4.66 0.07 -1.62 4.92 4.02 -1.26 -4.99 117.16 122.95 1nud n TYR 240 Ca -0.19 -0.77 -0.43 0.00 -0.01 0.00 0.00 57.90 56.51 1nud n TYR 240 Cb 0.49 -0.11 -0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1nud n TYR 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1nud n THR 241 N -0.93 2.16 0.00 -0.72 -2.24 -1.26 -0.41 114.28 110.89 1nud n THR 241 Ca 0.09 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1nud n THR 241 Cb 0.48 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1nud n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nud n GLY 242 N 1.11 3.17 0.00 3.38 0.00 -1.26 -4.97 105.19 106.62 1nud n GLY 242 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nud n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nud n GLY 243 N -0.80 5.41 3.32 -0.02 0.00 0.46 -4.93 105.19 108.64 1nud n GLY 243 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1nud n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nud s ARG 244 N 1.78 2.59 -0.27 1.61 0.52 0.12 -4.80 118.95 120.49 1nud s ARG 244 Ca 0.00 -0.84 -0.37 0.00 -0.52 0.00 0.00 55.73 53.99 1nud s ARG 244 Cb 0.00 -2.24 -0.14 0.00 0.52 0.00 0.00 34.95 33.09 1nud s ARG 244 CO 0.00 0.43 1.93 -3.47 0.02 0.00 0.00 175.30 174.21 1nud n ASP 245 N 2.83 2.49 -0.37 0.23 4.64 -1.26 -2.20 116.55 122.91 1nud n ASP 245 Ca -0.17 0.83 0.37 0.00 -1.38 0.00 0.00 54.79 54.44 1nud n ASP 245 Cb 0.52 -1.22 0.64 0.00 -1.04 0.00 0.00 41.12 40.02 1nud n ASP 245 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1nud h PRO 246 N 9.33 0.00 -0.00 -0.67 0.11 -1.92 0.45 132.00 139.30 1nud h PRO 246 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1nud h PRO 246 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1nud h PRO 246 CO 0.98 0.00 -0.17 0.54 -0.21 0.00 0.00 178.00 179.14 1nud n ARG 247 N -3.64 0.16 0.16 1.05 1.74 -1.26 -3.96 116.66 110.90 1nud n ARG 247 Ca 0.29 -0.05 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1nud n ARG 247 Cb 1.58 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 31.59 1nud n ARG 247 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nud h SER 248 N 0.11 0.00 -3.91 0.55 4.64 -0.44 -3.47 113.55 111.04 1nud h SER 248 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1nud h SER 248 Cb 0.46 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 62.76 1nud h SER 248 CO 0.00 0.23 0.13 0.79 -0.87 0.00 0.00 176.83 177.11 1nud n TRP 249 N -3.07 0.13 0.00 4.77 7.02 -1.25 -4.78 117.44 120.25 1nud n TRP 249 Ca 0.02 0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.71 1nud n TRP 249 Cb 0.63 -1.90 0.00 0.00 -2.42 0.00 0.00 31.31 27.62 1nud n TRP 249 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1nud n ASP 250 N -4.44 0.44 -3.60 -0.99 8.00 -1.26 -5.01 116.55 109.70 1nud n ASP 250 Ca 0.09 -0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 1nud n ASP 250 Cb 0.53 0.40 0.01 0.00 -0.02 0.00 0.00 41.12 42.03 1nud n ASP 250 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nud s GLY 251 N -0.49 -0.13 0.00 0.44 0.00 -1.26 0.13 107.32 106.01 1nud s GLY 251 Ca 0.00 0.08 0.20 0.00 0.00 0.00 0.00 44.72 45.00 1nud s GLY 251 CO 0.00 1.99 1.44 -1.14 0.00 0.00 0.00 173.10 175.38 1nud n SER 252 N -0.86 2.69 0.11 1.64 3.41 -0.44 -4.34 113.62 115.83 1nud n SER 252 Ca -0.04 -1.92 -0.08 0.00 -0.26 0.00 0.00 58.87 56.58 1nud n SER 252 Cb 0.60 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1nud n SER 252 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1nud h VAL 253 N 3.26 0.25 -0.51 -3.33 2.07 -1.73 -2.24 116.25 114.02 1nud h VAL 253 Ca 0.00 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.79 1nud h VAL 253 Cb 0.73 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1nud h VAL 253 CO 0.00 0.07 0.08 -0.08 0.02 0.00 0.00 177.57 177.66 1nud h GLU 254 N -1.05 0.21 0.00 1.57 4.81 -1.94 -0.15 114.58 118.03 1nud h GLU 254 Ca -0.04 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1nud h GLU 254 Cb 0.39 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1nud h GLU 254 CO 0.06 0.14 -0.18 0.82 -0.73 0.00 0.00 179.01 179.12 1nud h ILE 255 N 0.21 0.57 -0.33 2.32 2.04 -1.76 0.95 117.51 121.51 1nud h ILE 255 Ca 0.26 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.07 1nud h ILE 255 Cb 0.36 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1nud h ILE 255 CO -0.35 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 177.77 1nud h LEU 256 N -0.29 0.53 -0.67 1.44 3.38 -1.14 0.12 115.31 118.69 1nud h LEU 256 Ca 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nud h LEU 256 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1nud h LEU 256 CO -0.17 0.68 0.32 0.11 0.09 0.00 0.00 178.44 179.47 1nud h LYS 257 N 0.38 0.96 -0.43 1.13 1.57 -0.81 -1.41 116.57 117.95 1nud h LYS 257 Ca 0.10 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1nud h LYS 257 Cb 0.38 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1nud h LYS 257 CO 0.01 0.76 0.08 -0.91 -0.57 0.00 0.00 179.45 178.82 1nud h ASN 258 N 0.92 0.60 -0.08 0.86 4.21 0.11 0.88 115.58 123.09 1nud h ASN 258 Ca 0.23 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 1nud h ASN 258 Cb 0.12 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1nud h ASN 258 CO -0.03 0.61 0.03 -0.25 -1.29 0.00 0.00 177.43 176.50 1nud h TRP 259 N 0.63 0.12 -0.21 1.19 7.01 -0.11 -0.90 115.95 123.67 1nud h TRP 259 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1nud h TRP 259 Cb 0.27 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1nud h TRP 259 CO 0.01 0.25 0.08 -0.22 -2.79 0.00 0.00 178.44 175.78 1nud h LYS 260 N -0.05 0.32 -0.93 2.65 3.64 -1.04 0.43 116.57 121.59 1nud h LYS 260 Ca 0.02 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1nud h LYS 260 Cb 0.19 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 1nud h LYS 260 CO -0.00 0.39 0.60 -0.22 -2.27 0.00 0.00 179.45 177.95 1nud h LYS 261 N 0.19 0.96 -0.91 1.90 3.64 -0.68 -0.81 116.57 120.85 1nud h LYS 261 Ca 0.07 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nud h LYS 261 Cb 0.19 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1nud h LYS 261 CO -0.01 0.63 0.03 -1.13 -2.27 0.00 0.00 179.45 176.70 1nud n SER 262 N -4.53 2.34 -3.55 4.20 3.41 -0.36 -4.84 113.62 110.29 1nud n SER 262 Ca 0.16 -2.26 -0.25 0.00 -0.26 0.00 0.00 58.87 56.26 1nud n SER 262 Cb 0.27 -0.55 0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1nud n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nud n GLY 263 N 0.14 -0.53 2.11 5.00 0.00 -0.31 -2.80 105.19 108.81 1nud n GLY 263 Ca 0.08 0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 1nud n GLY 263 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nud n LEU 264 N -4.72 -1.83 -4.83 0.99 4.77 0.14 -5.04 117.00 106.48 1nud n LEU 264 Ca -0.01 -0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.53 1nud n LEU 264 Cb 0.56 -1.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 1nud n LEU 264 CO 0.63 0.06 0.21 -0.44 -1.33 0.00 0.00 177.39 176.52 1nud s SER 265 N -2.90 6.89 0.04 -1.43 0.01 -1.12 -4.87 113.70 110.32 1nud s SER 265 Ca 0.08 1.10 -0.36 0.00 1.31 0.00 0.00 55.95 58.08 1nud s SER 265 Cb -0.04 -2.30 -0.15 0.00 0.21 0.00 0.00 66.02 63.74 1nud s SER 265 CO 0.10 0.21 1.50 -2.65 0.41 0.00 0.00 173.24 172.81 1nud n PRO 266 N 1.31 1.49 -2.77 12.44 -0.02 -1.26 -4.76 135.00 141.42 1nud n PRO 266 Ca -0.09 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1nud n PRO 266 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1nud n PRO 266 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nud s VAL 267 N 1.27 4.82 -0.20 -1.45 1.01 0.23 -4.81 120.40 121.26 1nud s VAL 267 Ca 0.85 1.89 -0.05 0.00 0.00 0.00 0.00 61.98 64.67 1nud s VAL 267 Cb -0.88 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.23 1nud s VAL 267 CO 0.47 0.02 -0.01 -0.13 0.00 0.00 0.00 175.10 175.45 1nud s ARG 268 N 2.05 3.59 0.23 2.72 0.52 -1.26 -1.18 118.95 125.61 1nud s ARG 268 Ca 0.44 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 1nud s ARG 268 Cb -0.18 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1nud s ARG 268 CO 0.16 -0.00 0.12 0.71 0.02 0.00 0.00 175.30 176.31 1nud s TYR 269 N 1.03 1.32 0.10 -0.53 2.02 -0.93 0.11 117.35 120.46 1nud s TYR 269 Ca 0.02 -1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 55.38 1nud s TYR 269 Cb -0.14 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 1nud s TYR 269 CO 0.01 -0.53 0.05 0.20 -1.57 0.00 0.00 175.55 173.71 1nud s GLY 270 N -3.22 0.69 0.28 0.71 0.00 -0.33 -4.02 107.32 101.42 1nud s GLY 270 Ca 0.39 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1nud s GLY 270 CO 0.13 -1.26 0.08 -1.06 0.00 0.00 0.00 173.10 170.99 1nud n GLN 271 N -0.02 0.80 -0.31 2.90 6.02 -1.26 -2.46 117.38 123.05 1nud n GLN 271 Ca -0.10 -2.29 0.16 0.00 -0.01 0.00 0.00 57.00 54.77 1nud n GLN 271 Cb 0.63 1.12 0.41 0.00 1.02 0.00 0.00 30.24 33.42 1nud n GLN 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nud h TRP 273 N 0.60 0.00 -0.09 0.00 0.09 -1.98 -2.29 115.95 112.28 1nud h TRP 273 Ca 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.47 1nud h TRP 273 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.29 1nud h TRP 273 CO -0.00 0.49 -0.10 0.28 0.09 0.00 0.00 178.44 179.19 1nud h VAL 274 N 0.00 1.37 -0.62 0.12 2.07 -1.42 0.91 116.25 118.69 1nud h VAL 274 Ca -0.00 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1nud h VAL 274 Cb 1.05 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1nud h VAL 274 CO 0.06 0.36 0.41 -0.26 0.02 0.00 0.00 177.57 178.16 1nud h PHE 275 N -0.21 0.77 0.03 1.57 0.04 -1.40 -1.09 116.94 116.65 1nud h PHE 275 Ca 0.01 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1nud h PHE 275 Cb 0.63 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1nud h PHE 275 CO 0.09 0.48 -0.01 0.00 -0.60 0.00 0.00 178.31 178.27 1nud h ALA 276 N 1.23 -0.04 -0.70 2.45 0.00 -1.33 0.92 119.26 121.79 1nud h ALA 276 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nud h ALA 276 Cb -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nud h ALA 276 CO -0.05 -0.49 0.42 0.78 0.00 0.00 0.00 179.25 179.91 1nud h GLY 277 N -0.10 1.01 1.24 0.00 0.00 -0.61 0.27 103.07 104.87 1nud h GLY 277 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1nud h GLY 277 CO 0.01 0.41 -0.07 -0.84 0.00 0.00 0.00 176.54 176.04 1nud h THR 278 N 0.95 1.26 -0.04 4.70 2.02 -1.08 -2.13 112.91 118.60 1nud h THR 278 Ca 0.25 -1.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 1nud h THR 278 Cb -0.03 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1nud h THR 278 CO -0.05 0.41 -0.69 0.25 0.37 0.00 0.00 175.52 175.81 1nud h LEU 279 N 0.82 0.22 -1.02 2.58 5.85 -0.39 -2.43 115.31 120.94 1nud h LEU 279 Ca 0.14 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1nud h LEU 279 Cb 0.59 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1nud h LEU 279 CO 0.04 0.85 0.15 -1.13 -0.34 0.00 0.00 178.44 178.00 1nud h ASN 280 N 0.13 0.80 -0.34 1.25 -0.73 -0.19 -0.88 115.58 115.61 1nud h ASN 280 Ca -0.02 -0.14 -0.14 0.00 1.87 0.00 0.00 56.30 57.88 1nud h ASN 280 Cb 1.24 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 1nud h ASN 280 CO 0.10 0.77 -0.31 0.74 -0.37 0.00 0.00 177.43 178.37 1nud h THR 281 N 0.83 1.27 -0.11 -3.57 2.02 -1.20 -1.63 112.91 110.52 1nud h THR 281 Ca 0.18 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 65.92 1nud h THR 281 Cb 0.28 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1nud h THR 281 CO -0.00 0.49 -0.02 0.00 0.37 0.00 0.00 175.52 176.36 1nud h ALA 282 N 0.91 0.08 0.38 6.16 0.00 -0.84 -1.42 119.26 124.53 1nud h ALA 282 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nud h ALA 282 Cb 0.87 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nud h ALA 282 CO 0.08 -0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 178.60 1nud h LEU 283 N 0.01 -0.43 -1.10 0.00 3.38 -1.06 -2.53 115.31 113.58 1nud h LEU 283 Ca 0.05 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1nud h LEU 283 Cb 0.07 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1nud h LEU 283 CO -0.10 -0.10 0.61 0.03 0.09 0.00 0.00 178.44 178.97 1nud h ARG 284 N -0.79 0.96 -0.57 1.13 3.08 -1.31 0.47 114.38 117.35 1nud h ARG 284 Ca -0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1nud h ARG 284 Cb 0.53 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1nud h ARG 284 CO 0.08 0.63 0.18 0.66 -1.07 0.00 0.00 179.97 180.46 1nud h SER 285 N 0.99 0.78 0.78 7.04 4.64 -1.25 -2.06 113.55 124.47 1nud h SER 285 Ca 0.44 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1nud h SER 285 Cb 0.38 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1nud h SER 285 CO -0.20 0.74 -0.13 0.18 -0.87 0.00 0.00 176.83 176.55 1nud n LEU 286 N -4.29 0.16 0.00 5.97 4.77 -0.02 -4.93 117.00 118.67 1nud n LEU 286 Ca 0.04 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1nud n LEU 286 Cb 0.20 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1nud n LEU 286 CO 0.40 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1nud n GLY 287 N 1.46 0.91 3.48 -0.72 0.00 -0.21 -2.29 105.19 107.81 1nud n GLY 287 Ca 0.08 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1nud n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nud s ILE 288 N -2.00 5.22 0.18 -0.61 1.01 -0.72 -4.32 121.20 119.96 1nud s ILE 288 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 59.84 1nud s ILE 288 Cb 0.00 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 1nud s ILE 288 CO 0.00 -0.28 1.35 -2.65 0.00 0.00 0.00 174.94 173.36 1nud n PRO 289 N 5.27 1.66 -3.55 2.79 -0.02 -1.26 -3.63 135.00 136.26 1nud n PRO 289 Ca -0.10 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 1nud n PRO 289 Cb 0.48 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1nud n PRO 289 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nud s SER 290 N 0.33 -0.65 0.10 2.55 1.04 -0.48 -1.39 113.70 115.20 1nud s SER 290 Ca 0.74 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.98 1nud s SER 290 Cb -0.76 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1nud s SER 290 CO 0.48 -0.55 -0.08 0.00 0.98 0.00 0.00 173.24 174.07 1nud s ARG 291 N -0.98 0.85 0.02 4.02 1.70 -1.15 -4.68 118.95 118.74 1nud s ARG 291 Ca -0.10 -1.25 -0.17 0.00 -0.47 0.00 0.00 55.73 53.74 1nud s ARG 291 Cb -0.01 -0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 33.93 1nud s ARG 291 CO 0.08 0.03 0.48 0.08 -1.08 0.00 0.00 175.30 174.89 1nud s VAL 292 N -3.03 4.92 0.09 4.99 1.01 -1.26 -2.19 120.40 124.93 1nud s VAL 292 Ca 0.09 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1nud s VAL 292 Cb 0.01 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1nud s VAL 292 CO -0.02 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 1nud s ILE 293 N -0.99 2.94 -0.07 2.22 -1.09 0.14 -4.38 121.20 119.97 1nud s ILE 293 Ca 0.26 -1.34 -0.00 0.00 -2.23 0.00 0.00 60.65 57.34 1nud s ILE 293 Cb -0.18 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.41 1nud s ILE 293 CO 0.15 0.19 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.13 1nud s THR 294 N -1.08 0.61 -0.20 2.92 2.01 -0.07 -1.24 115.64 118.58 1nud s THR 294 Ca 0.17 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 1nud s THR 294 Cb -0.11 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1nud s THR 294 CO 0.09 0.28 -0.03 0.21 -0.69 0.00 0.00 174.62 174.48 1nud s ASN 295 N 1.55 4.50 -0.01 3.53 2.47 -0.64 -0.58 114.94 125.74 1nud s ASN 295 Ca -0.01 -0.30 -0.18 0.00 0.42 0.00 0.00 52.86 52.79 1nud s ASN 295 Cb -0.13 -1.76 -0.05 0.00 -1.45 0.00 0.00 41.25 37.85 1nud s ASN 295 CO -0.04 0.04 0.50 -0.36 -3.72 0.00 0.00 177.10 173.51 1nud s PHE 296 N 1.15 3.68 -0.75 0.43 0.40 -0.86 -0.86 117.98 121.19 1nud s PHE 296 Ca 0.02 1.07 -0.04 0.00 -0.60 0.00 0.00 56.93 57.38 1nud s PHE 296 Cb -0.15 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1nud s PHE 296 CO -0.00 0.46 0.66 0.09 0.70 0.00 0.00 175.22 177.12 1nud n ASN 297 N 2.43 -5.44 -4.64 1.36 3.02 0.73 -1.53 115.26 111.20 1nud n ASN 297 Ca -0.10 -0.48 -0.40 0.00 -0.03 0.00 0.00 54.58 53.57 1nud n ASN 297 Cb 0.51 -3.94 -0.07 0.00 -0.61 0.00 0.00 39.78 35.68 1nud n ASN 297 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nud s SER 298 N -3.25 6.55 -0.03 6.41 0.15 -0.49 -1.68 113.70 121.36 1nud s SER 298 Ca 0.31 0.66 -0.03 0.00 0.70 0.00 0.00 55.95 57.59 1nud s SER 298 Cb -0.04 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1nud s SER 298 CO 0.54 -0.25 0.16 0.00 1.20 0.00 0.00 173.24 174.89 1nud s ALA 299 N 1.97 3.88 -0.44 5.45 0.00 -1.17 -0.46 121.76 130.99 1nud s ALA 299 Ca 0.24 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1nud s ALA 299 Cb -0.16 -1.85 0.11 0.00 0.00 0.00 0.00 23.12 21.22 1nud s ALA 299 CO 0.09 0.71 0.28 -1.58 0.00 0.00 0.00 175.76 175.26 1nud s HIS 300 N -1.24 3.50 -0.40 0.00 2.46 -0.31 -3.82 115.29 115.48 1nud s HIS 300 Ca 0.24 -2.13 -0.21 0.00 0.47 0.00 0.00 55.06 53.43 1nud s HIS 300 Cb -0.12 -3.36 0.01 0.00 -0.13 0.00 0.00 32.58 28.98 1nud s HIS 300 CO 0.15 -0.98 0.65 0.34 -2.47 0.00 0.00 174.74 172.42 1nud s ASP 301 N 2.26 6.37 -0.02 9.88 3.68 -1.26 -3.29 116.67 134.30 1nud s ASP 301 Ca 0.07 -0.10 0.21 0.00 2.13 0.00 0.00 52.55 54.85 1nud s ASP 301 Cb -0.25 -2.33 -0.26 0.00 -1.45 0.00 0.00 42.92 38.64 1nud s ASP 301 CO -0.02 -0.70 0.52 0.35 0.13 0.00 0.00 175.17 175.44 1nud n THR 302 N 5.75 0.44 0.27 1.71 -2.24 -1.26 -4.13 114.28 114.81 1nud n THR 302 Ca -0.01 -0.59 0.15 0.00 -2.27 0.00 0.00 64.05 61.33 1nud n THR 302 Cb 0.48 -0.20 0.49 0.00 -2.10 0.00 0.00 70.33 69.00 1nud n THR 302 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1nud h ASP 303 N 0.00 0.00 -5.56 3.42 3.45 -1.90 -3.47 116.42 112.36 1nud h ASP 303 Ca -0.11 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 56.99 1nud h ASP 303 Cb 1.27 0.00 0.14 0.00 -0.56 0.00 0.00 39.33 40.18 1nud h ASP 303 CO 0.01 0.00 -0.66 -1.14 -1.57 0.00 0.00 179.24 175.88 1nud n ARG 304 N -3.06 -7.30 -0.07 3.56 0.63 -1.26 -4.89 116.66 104.27 1nud n ARG 304 Ca 0.02 0.79 0.02 0.00 -0.92 0.00 0.00 57.85 57.76 1nud n ARG 304 Cb 0.39 -5.71 0.03 0.00 0.45 0.00 0.00 32.46 27.62 1nud n ARG 304 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1nud n ASN 305 N -2.83 1.33 -2.36 6.15 0.23 -1.26 -4.96 115.26 111.56 1nud n ASN 305 Ca -0.05 -1.96 -0.20 0.00 -0.53 0.00 0.00 54.58 51.84 1nud n ASN 305 Cb 0.58 -0.11 -0.01 0.00 -2.08 0.00 0.00 39.78 38.16 1nud n ASN 305 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nud n LEU 306 N -0.50 -1.84 -3.75 -4.53 4.77 -1.26 -4.98 117.00 104.91 1nud n LEU 306 Ca 0.03 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1nud n LEU 306 Cb 0.44 -2.86 -0.12 0.00 -2.33 0.00 0.00 43.42 38.56 1nud n LEU 306 CO 0.00 -0.26 -0.05 -0.55 -1.33 0.00 0.00 177.39 175.20 1nud s SER 307 N -2.09 -0.32 -0.04 -1.43 0.15 -1.26 -1.15 113.70 107.56 1nud s SER 307 Ca 0.00 0.61 0.06 0.00 0.70 0.00 0.00 55.95 57.32 1nud s SER 307 Cb 0.00 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 1nud s SER 307 CO 0.00 -0.13 -0.22 0.68 1.20 0.00 0.00 173.24 174.77 1nud s VAL 308 N 0.58 1.76 -0.18 4.45 -7.23 -0.09 -4.88 120.40 114.82 1nud s VAL 308 Ca -0.03 -0.92 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 1nud s VAL 308 Cb -0.05 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1nud s VAL 308 CO -0.03 0.50 0.07 -1.81 -0.31 0.00 0.00 175.10 173.51 1nud s ASP 309 N -0.24 5.70 -0.13 4.85 1.01 -1.26 -0.55 116.67 126.05 1nud s ASP 309 Ca 0.01 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1nud s ASP 309 Cb -0.11 -1.96 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 1nud s ASP 309 CO 0.02 0.20 -0.15 -0.69 0.21 0.00 0.00 175.17 174.75 1nud s VAL 310 N 0.24 2.87 0.08 -1.27 1.01 0.11 -4.74 120.40 118.70 1nud s VAL 310 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1nud s VAL 310 Cb -0.12 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1nud s VAL 310 CO 0.00 0.53 -0.15 -0.31 0.00 0.00 0.00 175.10 175.16 1nud s TYR 311 N 0.44 2.61 0.03 5.22 1.51 -1.26 -0.18 117.35 125.73 1nud s TYR 311 Ca -0.11 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1nud s TYR 311 Cb -0.16 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1nud s TYR 311 CO 0.05 0.35 -0.07 0.71 -1.11 0.00 0.00 175.55 175.48 1nud s TYR 312 N -1.07 0.60 0.52 2.71 1.51 -0.65 -0.69 117.35 120.29 1nud s TYR 312 Ca 0.17 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1nud s TYR 312 Cb -0.11 -0.37 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1nud s TYR 312 CO 0.09 -0.06 0.75 0.16 -1.11 0.00 0.00 175.55 175.38 1nud s ASP 313 N -1.12 5.44 0.53 2.29 1.47 -0.70 -1.21 116.67 123.37 1nud s ASP 313 Ca -0.06 0.09 0.20 0.00 1.18 0.00 0.00 52.55 53.96 1nud s ASP 313 Cb -0.07 -1.08 1.38 0.00 -0.34 0.00 0.00 42.92 42.81 1nud s ASP 313 CO 0.00 -1.02 2.12 -0.65 0.68 0.00 0.00 175.17 176.31 1nud h PRO 314 N 0.16 0.00 0.00 2.11 0.11 -1.92 -0.57 132.00 131.89 1nud h PRO 314 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1nud h PRO 314 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1nud h PRO 314 CO 0.54 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.00 1nud n MET 315 N -4.38 0.79 -1.21 1.05 2.81 -1.26 -4.80 117.12 110.12 1nud n MET 315 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1nud n MET 315 Cb 0.23 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1nud n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nud n GLY 316 N 0.48 0.48 3.77 3.03 0.00 -0.22 -4.08 105.19 108.66 1nud n GLY 316 Ca 0.13 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1nud n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nud s ASN 317 N -2.89 6.75 0.39 1.61 0.01 -1.24 -4.17 114.94 115.41 1nud s ASN 317 Ca 0.00 0.89 -0.26 0.00 -0.71 0.00 0.00 52.86 52.78 1nud s ASN 317 Cb 0.00 -2.27 -0.09 0.00 0.41 0.00 0.00 41.25 39.30 1nud s ASN 317 CO 0.00 0.15 1.23 -2.84 -1.51 0.00 0.00 177.10 174.12 1nud s PRO 318 N -0.16 4.05 0.06 -0.60 0.02 -1.26 -1.72 135.00 135.39 1nud s PRO 318 Ca 0.25 1.98 0.07 0.00 0.02 0.00 0.00 61.00 63.32 1nud s PRO 318 Cb -0.16 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.58 1nud s PRO 318 CO 0.12 -0.36 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.75 1nud s LEU 319 N -2.40 2.70 -1.04 -5.54 1.43 0.14 -4.86 118.68 109.10 1nud s LEU 319 Ca 0.56 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1nud s LEU 319 Cb -0.34 -1.57 0.26 0.00 0.03 0.00 0.00 46.19 44.57 1nud s LEU 319 CO 0.43 0.24 1.01 -0.62 0.23 0.00 0.00 176.35 177.64 1nud s ASP 320 N -1.62 6.96 -0.07 2.29 2.15 -1.26 -4.40 116.67 120.72 1nud s ASP 320 Ca 0.16 -3.58 0.01 0.00 0.43 0.00 0.00 52.55 49.57 1nud s ASP 320 Cb -0.11 -2.13 0.02 0.00 -0.30 0.00 0.00 42.92 40.40 1nud s ASP 320 CO 0.07 -0.27 -0.09 -0.75 -0.17 0.00 0.00 175.17 173.95 1nud s LYS 321 N -1.22 1.48 0.00 4.34 2.20 -1.26 -5.08 119.74 120.21 1nud s LYS 321 Ca 0.29 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1nud s LYS 321 Cb -0.09 -1.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.88 1nud s LYS 321 CO -0.09 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1nud n GLY 322 N 4.18 2.71 0.17 5.54 0.00 -1.26 -4.68 105.19 111.85 1nud n GLY 322 Ca -0.20 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.15 1nud n GLY 322 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nud h SER 323 N 0.00 0.00 -4.14 1.61 0.02 -1.95 -3.44 113.55 105.65 1nud h SER 323 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1nud h SER 323 Cb 0.00 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.68 1nud h SER 323 CO 0.00 0.48 0.28 -1.81 -1.14 0.00 0.00 176.83 174.63 1nud s ASP 324 N -6.64 3.67 0.01 3.07 -0.00 -1.26 -4.83 116.67 110.69 1nud s ASP 324 Ca -0.01 1.30 -0.28 0.00 -0.00 0.00 0.00 52.55 53.56 1nud s ASP 324 Cb 0.12 -1.98 0.10 0.00 -0.00 0.00 0.00 42.92 41.15 1nud s ASP 324 CO 0.72 -2.49 0.90 -0.94 -0.00 0.00 0.00 175.17 173.36 1nud s SER 325 N -3.67 -0.34 -0.21 0.27 1.04 -1.21 -4.94 113.70 104.64 1nud s SER 325 Ca 0.63 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.00 1nud s SER 325 Cb -0.16 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.41 1nud s SER 325 CO 0.56 -0.65 -0.01 -0.69 0.98 0.00 0.00 173.24 173.42 1nud s VAL 326 N -3.14 1.02 0.42 5.02 1.01 -1.26 -1.16 120.40 122.31 1nud s VAL 326 Ca 0.06 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1nud s VAL 326 Cb -0.01 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 1nud s VAL 326 CO -0.08 -0.12 0.99 0.26 0.00 0.00 0.00 175.10 176.15 1nud s TRP 327 N 1.63 3.29 0.39 5.22 0.52 0.39 -4.43 118.94 125.96 1nud s TRP 327 Ca -0.03 1.64 0.16 0.00 0.02 0.00 0.00 56.10 57.89 1nud s TRP 327 Cb -0.18 -2.97 0.94 0.00 -1.15 0.00 0.00 33.47 30.12 1nud s TRP 327 CO -0.07 -0.32 1.92 -0.91 0.02 0.00 0.00 176.95 177.59 1nud h ASN 328 N 2.15 0.00 -4.14 2.95 4.21 -0.91 -1.27 115.58 118.57 1nud h ASN 328 Ca -0.49 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.09 1nud h ASN 328 Cb 1.20 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 38.17 1nud h ASN 328 CO 0.61 0.26 0.50 0.72 -1.29 0.00 0.00 177.43 178.24 1nud s PHE 329 N -4.32 -0.41 -0.02 1.19 -0.12 -1.26 -0.19 117.98 112.85 1nud s PHE 329 Ca -0.03 0.73 0.01 0.00 -0.05 0.00 0.00 56.93 57.59 1nud s PHE 329 Cb 0.14 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1nud s PHE 329 CO 0.69 -0.36 -0.03 -1.58 -0.05 0.00 0.00 175.22 173.89 1nud s HIS 330 N -1.00 0.46 -0.12 3.49 2.46 -0.04 -4.84 115.29 115.71 1nud s HIS 330 Ca -0.02 -0.08 -0.02 0.00 0.47 0.00 0.00 55.06 55.40 1nud s HIS 330 Cb -0.01 -0.41 -0.03 0.00 -0.13 0.00 0.00 32.58 32.00 1nud s HIS 330 CO 0.02 -0.09 -0.03 0.08 -2.47 0.00 0.00 174.74 172.24 1nud s VAL 331 N 0.52 3.97 0.13 0.89 1.01 -1.26 -1.63 120.40 124.03 1nud s VAL 331 Ca -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1nud s VAL 331 Cb -0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1nud s VAL 331 CO -0.01 0.54 0.14 -2.67 0.00 0.00 0.00 175.10 173.10 1nud n TRP 332 N 2.94 -0.49 -4.42 5.22 2.14 -0.38 -4.52 117.44 117.92 1nud n TRP 332 Ca -0.18 -1.01 -0.28 0.00 2.07 0.00 0.00 57.50 58.10 1nud n TRP 332 Cb 0.53 0.15 -0.08 0.00 -0.81 0.00 0.00 31.31 31.10 1nud n TRP 332 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1nud s ASN 333 N -1.87 4.21 -0.03 -0.67 -0.87 0.76 0.28 114.94 116.75 1nud s ASN 333 Ca 0.14 -1.35 0.01 0.00 -1.57 0.00 0.00 52.86 50.09 1nud s ASN 333 Cb 0.00 -0.07 0.03 0.00 -0.02 0.00 0.00 41.25 41.19 1nud s ASN 333 CO 0.10 -0.67 -0.01 -1.61 -2.57 0.00 0.00 177.10 172.34 1nud s GLU 334 N -3.88 0.42 0.09 -0.60 2.02 -0.93 -1.15 118.70 114.66 1nud s GLU 334 Ca 0.28 0.03 0.04 0.00 0.02 0.00 0.00 54.97 55.35 1nud s GLU 334 Cb 0.04 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 1nud s GLU 334 CO 0.16 -0.12 0.04 0.20 0.02 0.00 0.00 175.26 175.56 1nud s GLY 335 N 0.99 1.95 -0.28 -1.39 0.00 0.59 -2.91 107.32 106.27 1nud s GLY 335 Ca -0.10 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.54 1nud s GLY 335 CO -0.01 -1.06 -0.04 0.86 0.00 0.00 0.00 173.10 172.84 1nud s TRP 336 N -1.38 3.25 -0.14 1.90 -0.11 -0.49 0.16 118.94 122.13 1nud s TRP 336 Ca 0.28 -2.01 -0.31 0.00 1.22 0.00 0.00 56.10 55.27 1nud s TRP 336 Cb -0.12 -2.04 0.13 0.00 -1.50 0.00 0.00 33.47 29.94 1nud s TRP 336 CO 0.20 -0.83 1.09 -0.59 -4.62 0.00 0.00 176.95 172.20 1nud s PHE 337 N 1.20 -0.24 0.46 5.86 -0.12 -0.93 -4.45 117.98 119.77 1nud s PHE 337 Ca -0.06 0.26 -0.23 0.00 -0.05 0.00 0.00 56.93 56.84 1nud s PHE 337 Cb -0.20 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.62 1nud s PHE 337 CO -0.03 -0.31 1.23 0.14 -0.05 0.00 0.00 175.22 176.20 1nud s VAL 338 N -2.10 2.83 -0.78 -2.49 -7.23 -0.99 -3.16 120.40 106.48 1nud s VAL 338 Ca 0.05 0.65 -0.05 0.00 -1.81 0.00 0.00 61.98 60.81 1nud s VAL 338 Cb -0.01 -3.34 0.20 0.00 0.56 0.00 0.00 36.38 33.79 1nud s VAL 338 CO -0.05 0.02 0.65 -0.13 -0.31 0.00 0.00 175.10 175.28 1nud s ARG 339 N -2.63 3.10 0.51 4.82 1.81 -1.26 -4.87 118.95 120.43 1nud s ARG 339 Ca 0.63 -2.77 0.31 0.00 -1.72 0.00 0.00 55.73 52.18 1nud s ARG 339 Cb -0.33 -4.00 1.09 0.00 -0.45 0.00 0.00 34.95 31.27 1nud s ARG 339 CO 0.40 -1.23 1.88 0.66 -0.68 0.00 0.00 175.30 176.33 1nud h SER 340 N 6.88 0.00 1.59 0.23 4.64 -1.94 -0.37 113.55 124.58 1nud h SER 340 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1nud h SER 340 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1nud h SER 340 CO 0.78 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 174.50 1nud h ASP 341 N 0.00 0.00 0.00 4.97 2.03 -2.02 -3.32 116.42 118.08 1nud h ASP 341 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nud h ASP 341 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1nud h ASP 341 CO 0.00 0.00 -0.86 0.18 -1.03 0.00 0.00 179.24 177.53 1nud n LEU 342 N -2.58 0.19 0.00 0.15 4.77 -0.78 -5.06 117.00 113.68 1nud n LEU 342 Ca 0.05 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1nud n LEU 342 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1nud n LEU 342 CO 0.31 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1nud n GLY 343 N 1.61 2.14 0.29 -0.72 0.00 -0.22 -4.72 105.19 103.57 1nud n GLY 343 Ca 0.00 -2.01 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 1nud n GLY 343 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nud h PRO 344 N 0.00 -0.18 0.00 1.61 0.11 -1.93 -2.70 132.00 128.91 1nud h PRO 344 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1nud h PRO 344 Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1nud h PRO 344 CO 0.00 -0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.54 1nud n SER 345 N -5.40 0.00 -0.67 -2.05 3.41 -1.26 -3.12 113.62 104.52 1nud n SER 345 Ca 0.02 -0.16 0.07 0.00 -0.26 0.00 0.00 58.87 58.55 1nud n SER 345 Cb 0.32 -0.14 0.11 0.00 -0.26 0.00 0.00 64.21 64.23 1nud n SER 345 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nud n TYR 346 N -1.14 0.19 -0.40 7.33 4.02 -1.02 -4.88 117.16 121.26 1nud n TYR 346 Ca 0.08 -0.16 -0.01 0.00 -0.01 0.00 0.00 57.90 57.80 1nud n TYR 346 Cb 0.07 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 1nud n TYR 346 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nud n GLY 347 N 0.84 -2.73 0.00 2.72 0.00 -1.18 -4.58 105.19 100.25 1nud n GLY 347 Ca 0.11 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1nud n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nud n GLY 348 N 1.75 1.05 3.75 -0.02 0.00 -1.19 -4.79 105.19 105.73 1nud n GLY 348 Ca 0.00 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1nud n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nud s TRP 349 N 0.00 3.62 -0.06 1.61 0.52 -1.26 -2.18 118.94 121.19 1nud s TRP 349 Ca 0.00 1.67 0.03 0.00 0.02 0.00 0.00 56.10 57.82 1nud s TRP 349 Cb 0.00 -3.26 0.00 0.00 -1.15 0.00 0.00 33.47 29.07 1nud s TRP 349 CO 0.00 -0.50 -0.15 -0.65 0.02 0.00 0.00 176.95 175.66 1nud s GLN 350 N -0.89 1.81 0.15 4.98 -1.52 0.42 -2.15 119.66 122.47 1nud s GLN 350 Ca 0.47 -0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 1nud s GLN 350 Cb -0.30 -1.52 -0.07 0.00 -0.22 0.00 0.00 33.01 30.90 1nud s GLN 350 CO 0.37 0.15 1.11 0.08 -0.25 0.00 0.00 175.29 176.75 1nud s VAL 351 N 0.31 3.92 -0.07 1.09 1.01 0.11 0.22 120.40 126.99 1nud s VAL 351 Ca -0.09 1.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 1nud s VAL 351 Cb -0.14 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1nud s VAL 351 CO 0.03 0.24 -0.01 -0.76 0.00 0.00 0.00 175.10 174.61 1nud s LEU 352 N -0.07 0.67 -0.15 3.92 1.43 -0.30 -2.69 118.68 121.48 1nud s LEU 352 Ca 0.51 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1nud s LEU 352 Cb -0.29 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.50 1nud s LEU 352 CO 0.34 -0.18 -0.04 -0.62 0.23 0.00 0.00 176.35 176.08 1nud s ASP 353 N 1.90 2.59 0.00 2.29 -1.08 -0.97 -0.17 116.67 121.22 1nud s ASP 353 Ca 0.04 -0.55 0.25 0.00 -0.52 0.00 0.00 52.55 51.76 1nud s ASP 353 Cb -0.12 -0.81 0.34 0.00 -1.46 0.00 0.00 42.92 40.87 1nud s ASP 353 CO -0.05 -0.19 1.34 0.00 0.52 0.00 0.00 175.17 176.79 1nud n ALA 354 N 4.94 2.67 -2.27 3.66 0.00 -1.26 -3.46 120.51 124.78 1nud n ALA 354 Ca -0.11 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 1nud n ALA 354 Cb 0.48 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1nud n ALA 354 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nud s THR 355 N -2.09 3.94 -1.06 0.00 2.01 -1.26 -4.39 115.64 112.79 1nud s THR 355 Ca 0.28 1.21 -0.20 0.00 0.31 0.00 0.00 61.69 63.29 1nud s THR 355 Cb 0.20 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 1nud s THR 355 CO 0.35 -0.07 1.96 -0.81 -0.69 0.00 0.00 174.62 175.37 1nud n PRO 356 N 6.23 2.00 -0.05 4.92 -0.04 -1.26 -4.63 135.00 142.16 1nud n PRO 356 Ca 0.14 -2.31 -0.05 0.00 -0.04 0.00 0.00 63.50 61.25 1nud n PRO 356 Cb 0.44 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.64 1nud n PRO 356 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1nud n GLN 357 N 7.28 0.31 -4.36 0.54 7.27 -1.26 -4.97 117.38 122.19 1nud n GLN 357 Ca 0.49 0.23 -0.34 0.00 0.07 0.00 0.00 57.00 57.45 1nud n GLN 357 Cb 0.42 -1.16 -0.14 0.00 2.41 0.00 0.00 30.24 31.77 1nud n GLN 357 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1nud s GLU 358 N -2.03 3.35 0.44 3.69 2.56 -1.26 -5.10 118.70 120.35 1nud s GLU 358 Ca -0.15 -0.67 -0.25 0.00 0.00 0.00 0.00 54.97 53.90 1nud s GLU 358 Cb 0.02 -2.78 -0.08 0.00 2.00 0.00 0.00 34.13 33.29 1nud s GLU 358 CO 0.22 0.01 1.30 1.03 -0.56 0.00 0.00 175.26 177.26 1nud s ARG 359 N 0.89 3.80 -0.15 4.30 0.52 -1.26 -4.49 118.95 122.55 1nud s ARG 359 Ca -0.03 2.13 -0.01 0.00 -0.52 0.00 0.00 55.73 57.31 1nud s ARG 359 Cb -0.15 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 32.73 1nud s ARG 359 CO 0.00 -0.62 -0.05 0.45 0.02 0.00 0.00 175.30 175.10 1nud s SER 360 N -0.84 2.63 -1.58 0.23 0.15 0.37 -4.70 113.70 109.95 1nud s SER 360 Ca 0.60 -0.57 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 1nud s SER 360 Cb -0.37 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1nud s SER 360 CO 0.47 -0.18 0.51 0.00 1.20 0.00 0.00 173.24 175.23 1nud n GLN 361 N 4.92 -4.35 0.00 5.44 6.02 -1.26 -1.61 117.38 126.55 1nud n GLN 361 Ca -0.11 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1nud n GLN 361 Cb 0.48 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 26.01 1nud n GLN 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nud n GLY 362 N -1.44 2.51 3.90 1.08 0.00 -1.26 -4.99 105.19 104.98 1nud n GLY 362 Ca -0.14 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1nud n GLY 362 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nud s VAL 363 N -0.87 4.98 -1.28 1.61 1.01 -0.63 -4.93 120.40 120.29 1nud s VAL 363 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1nud s VAL 363 Cb 0.00 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.78 1nud s VAL 363 CO 0.00 -0.35 1.71 0.49 0.00 0.00 0.00 175.10 176.96 1nud n PHE 364 N -0.97 4.25 -4.33 5.22 3.01 -1.26 0.14 117.46 123.51 1nud n PHE 364 Ca -0.01 -3.06 -0.17 0.00 1.01 0.00 0.00 57.45 55.23 1nud n PHE 364 Cb 0.54 -2.29 -0.10 0.00 -0.01 0.00 0.00 39.48 37.62 1nud n PHE 364 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1nud s GLN 365 N 2.12 1.33 -0.29 -1.08 -2.07 -1.26 -4.24 119.66 114.17 1nud s GLN 365 Ca 0.45 -1.67 -0.06 0.00 -1.82 0.00 0.00 55.36 52.26 1nud s GLN 365 Cb 0.04 -0.58 0.15 0.00 -1.09 0.00 0.00 33.01 31.53 1nud s GLN 365 CO 0.01 -0.11 0.61 0.00 -1.32 0.00 0.00 175.29 174.48 1nud n GLY 367 N 5.44 0.86 3.76 0.00 0.00 -1.26 -2.30 105.19 111.68 1nud n GLY 367 Ca -0.07 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 1nud n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nud s PRO 368 N -1.39 4.68 -0.17 1.61 0.04 -1.26 -4.45 135.00 134.07 1nud s PRO 368 Ca 0.00 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1nud s PRO 368 Cb 0.00 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1nud s PRO 368 CO 0.00 0.26 -0.18 0.00 0.04 0.00 0.00 177.00 177.12 1nud s ALA 369 N -1.11 2.16 0.03 8.56 0.00 -1.10 0.23 121.76 130.54 1nud s ALA 369 Ca 0.44 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1nud s ALA 369 Cb -0.31 -1.14 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1nud s ALA 369 CO 0.39 -0.37 1.88 0.45 0.00 0.00 0.00 175.76 178.11 1nud s SER 370 N 1.36 6.50 0.15 0.00 0.15 -1.26 0.05 113.70 120.65 1nud s SER 370 Ca 0.05 2.59 -0.15 0.00 0.70 0.00 0.00 55.95 59.14 1nud s SER 370 Cb -0.13 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.67 1nud s SER 370 CO -0.12 -1.02 1.74 0.58 1.20 0.00 0.00 173.24 175.62 1nud h VAL 371 N 5.49 1.18 -0.98 4.45 2.07 -1.74 0.46 116.25 127.17 1nud h VAL 371 Ca -0.47 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 66.72 1nud h VAL 371 Cb 1.22 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.57 1nud h VAL 371 CO 0.94 0.19 0.62 0.40 0.02 0.00 0.00 177.57 179.74 1nud h ILE 372 N 0.59 0.81 -0.48 4.57 2.04 -1.81 -0.17 117.51 123.06 1nud h ILE 372 Ca 0.16 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1nud h ILE 372 Cb 0.10 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1nud h ILE 372 CO -0.02 0.15 -0.05 1.23 0.00 0.00 0.00 178.15 179.46 1nud h GLY 373 N 0.83 0.95 0.68 5.37 0.00 -1.41 -3.09 103.07 106.42 1nud h GLY 373 Ca 0.52 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1nud h GLY 373 CO -0.30 0.68 -0.36 -2.08 0.00 0.00 0.00 176.54 174.48 1nud h VAL 374 N 0.73 0.26 -0.77 4.60 2.07 0.83 -1.23 116.25 122.73 1nud h VAL 374 Ca 0.13 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.83 1nud h VAL 374 Cb 0.58 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.48 1nud h VAL 374 CO 0.03 0.00 0.12 -0.09 0.02 0.00 0.00 177.57 177.65 1nud h ARG 375 N -0.79 0.18 0.00 1.57 2.43 -1.29 0.15 114.38 116.62 1nud h ARG 375 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nud h ARG 375 Cb 0.69 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1nud h ARG 375 CO -0.03 0.12 0.00 0.93 -1.51 0.00 0.00 179.97 179.48 1nud h GLU 376 N 0.18 0.00 -0.49 0.20 4.39 -1.43 -3.42 114.58 114.01 1nud h GLU 376 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1nud h GLU 376 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1nud h GLU 376 CO -0.60 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.66 1nud n GLY 377 N 0.95 0.75 2.77 -3.84 0.00 0.53 -4.87 105.19 101.48 1nud n GLY 377 Ca 0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1nud n GLY 377 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nud n ASP 378 N 1.59 6.73 0.00 1.61 8.00 -0.89 -4.08 116.55 129.51 1nud n ASP 378 Ca 0.00 -3.37 0.07 0.00 0.71 0.00 0.00 54.79 52.20 1nud n ASP 378 Cb 0.46 -1.31 0.38 0.00 -0.02 0.00 0.00 41.12 40.63 1nud n ASP 378 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nud n VAL 379 N 1.46 0.41 1.78 2.53 0.24 -1.26 -2.74 118.33 120.75 1nud n VAL 379 Ca 0.42 0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.95 1nud n VAL 379 Cb 0.30 -0.87 0.66 0.00 -1.47 0.00 0.00 33.84 32.46 1nud n VAL 379 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nud n GLN 380 N -1.19 1.24 -3.78 7.34 -0.00 -1.26 -4.19 117.38 115.54 1nud n GLN 380 Ca 0.08 -0.36 -0.32 0.00 -0.00 0.00 0.00 57.00 56.40 1nud n GLN 380 Cb 0.09 -1.42 -0.05 0.00 -0.00 0.00 0.00 30.24 28.86 1nud n GLN 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nud s LEU 381 N -1.81 4.33 0.45 2.61 1.43 -1.11 -5.09 118.68 119.49 1nud s LEU 381 Ca 0.38 0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 53.75 1nud s LEU 381 Cb 0.18 -3.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.30 1nud s LEU 381 CO 0.30 0.15 0.98 0.20 0.23 0.00 0.00 176.35 178.22 1nud s ASN 382 N -2.23 6.72 0.18 2.29 0.01 -1.26 -4.27 114.94 116.38 1nud s ASN 382 Ca 0.35 1.77 0.09 0.00 -0.71 0.00 0.00 52.86 54.36 1nud s ASN 382 Cb -0.13 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1nud s ASN 382 CO 0.23 -0.52 -0.19 -0.36 -1.51 0.00 0.00 177.10 174.75 1nud s PHE 383 N -2.13 1.94 -1.39 2.20 0.40 0.14 -4.61 117.98 114.52 1nud s PHE 383 Ca 0.64 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 56.38 1nud s PHE 383 Cb -0.12 -0.95 0.13 0.00 0.51 0.00 0.00 43.02 42.59 1nud s PHE 383 CO 0.16 0.39 0.55 -0.25 0.70 0.00 0.00 175.22 176.77 1nud n ASP 384 N 0.16 -2.91 -0.02 1.36 8.00 -1.26 -4.06 116.55 117.82 1nud n ASP 384 Ca -0.12 -0.65 -0.13 0.00 0.71 0.00 0.00 54.79 54.60 1nud n ASP 384 Cb 0.57 -2.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.14 1nud n ASP 384 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nud h MET 385 N -1.00 0.05 -0.73 -1.24 2.86 -1.82 -3.00 114.93 110.06 1nud h MET 385 Ca -0.46 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.28 1nud h MET 385 Cb 1.31 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.84 1nud h MET 385 CO 0.62 0.54 -0.33 -1.35 1.06 0.00 0.00 176.91 177.45 1nud h PRO 386 N -0.45 -0.09 -0.38 -0.22 0.11 -1.89 0.43 132.00 129.51 1nud h PRO 386 Ca 0.00 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.20 1nud h PRO 386 Cb 0.53 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.58 1nud h PRO 386 CO 0.01 -0.06 -0.17 0.35 -0.21 0.00 0.00 178.00 177.91 1nud h PHE 387 N -0.10 -0.43 -0.43 0.65 3.57 -1.91 -2.80 116.94 115.49 1nud h PHE 387 Ca 0.28 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1nud h PHE 387 Cb 0.57 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1nud h PHE 387 CO -0.70 -0.25 0.03 0.82 -2.23 0.00 0.00 178.31 175.97 1nud h ILE 388 N -0.10 1.26 -0.52 1.41 2.04 -0.97 -2.52 117.51 118.11 1nud h ILE 388 Ca 0.19 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.17 1nud h ILE 388 Cb 0.39 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 1nud h ILE 388 CO -0.45 0.34 0.03 0.15 0.00 0.00 0.00 178.15 178.22 1nud h PHE 389 N 0.59 0.03 -0.39 1.37 3.57 -0.74 0.33 116.94 121.71 1nud h PHE 389 Ca 0.13 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1nud h PHE 389 Cb 0.45 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1nud h PHE 389 CO 0.03 -0.09 0.12 0.00 -2.23 0.00 0.00 178.31 176.14 1nud h ALA 390 N 1.45 1.49 -0.97 2.41 0.00 -1.45 0.34 119.26 122.53 1nud h ALA 390 Ca 0.26 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nud h ALA 390 Cb 0.39 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1nud h ALA 390 CO -0.41 0.38 0.64 1.49 0.00 0.00 0.00 179.25 181.36 1nud h GLU 391 N 0.55 1.28 -0.01 0.00 4.81 0.07 -1.42 114.58 119.86 1nud h GLU 391 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1nud h GLU 391 Cb 0.17 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1nud h GLU 391 CO -0.01 0.85 -0.59 1.33 -0.73 0.00 0.00 179.01 179.87 1nud n VAL 392 N -4.38 0.00 -2.09 0.32 0.24 -0.59 -3.02 118.33 108.81 1nud n VAL 392 Ca 0.11 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 1nud n VAL 392 Cb 0.02 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 1nud n VAL 392 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nud n ASN 393 N -0.69 -0.12 -4.74 -1.34 5.15 0.11 -3.82 115.26 109.82 1nud n ASN 393 Ca 0.06 -1.67 -0.31 0.00 -0.60 0.00 0.00 54.58 52.06 1nud n ASN 393 Cb 0.33 -0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.70 1nud n ASN 393 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nud s ALA 394 N 0.00 1.91 0.04 5.20 0.00 -0.54 -4.88 121.76 123.50 1nud s ALA 394 Ca 0.06 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 1nud s ALA 394 Cb 0.07 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1nud s ALA 394 CO -0.03 -2.08 0.45 -0.51 0.00 0.00 0.00 175.76 173.59 1nud s ASP 395 N -3.32 6.83 -0.19 0.00 -0.00 -0.30 -4.48 116.67 115.21 1nud s ASP 395 Ca 0.62 1.00 -0.09 0.00 -0.00 0.00 0.00 52.55 54.08 1nud s ASP 395 Cb -0.18 -2.26 -0.05 0.00 -0.00 0.00 0.00 42.92 40.43 1nud s ASP 395 CO 0.57 0.26 0.12 -0.60 -0.00 0.00 0.00 175.17 175.52 1nud s ARG 396 N -1.34 4.11 -0.14 8.23 3.52 0.56 -0.91 118.95 132.98 1nud s ARG 396 Ca 0.28 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1nud s ARG 396 Cb -0.16 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1nud s ARG 396 CO 0.16 0.33 -0.21 0.42 -0.81 0.00 0.00 175.30 175.19 1nud s ILE 397 N 0.26 2.02 -0.29 4.11 1.01 0.29 -0.58 121.20 128.03 1nud s ILE 397 Ca 0.08 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 1nud s ILE 397 Cb -0.11 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1nud s ILE 397 CO -0.01 0.54 0.18 -0.89 0.00 0.00 0.00 174.94 174.76 1nud s THR 398 N 0.91 5.19 0.21 2.92 2.01 -0.70 0.06 115.64 126.24 1nud s THR 398 Ca -0.05 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.09 1nud s THR 398 Cb -0.15 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1nud s THR 398 CO -0.04 0.22 0.02 0.26 -0.69 0.00 0.00 174.62 174.39 1nud s TRP 399 N 1.74 2.84 -0.08 4.92 0.52 0.75 -0.08 118.94 129.54 1nud s TRP 399 Ca 0.07 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.03 1nud s TRP 399 Cb -0.16 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 1nud s TRP 399 CO 0.10 0.55 -0.07 -0.51 0.02 0.00 0.00 176.95 177.04 1nud s LEU 400 N -3.27 3.14 -0.02 2.99 2.01 -0.71 -1.64 118.68 121.18 1nud s LEU 400 Ca 0.29 -0.06 -0.01 0.00 0.01 0.00 0.00 54.13 54.36 1nud s LEU 400 Cb -0.08 -1.69 0.01 0.00 0.01 0.00 0.00 46.19 44.44 1nud s LEU 400 CO 0.20 0.32 0.05 -0.47 1.01 0.00 0.00 176.35 177.46 1nud s TYR 401 N -0.58 -0.04 -0.24 0.29 6.14 -0.35 -1.32 117.35 121.25 1nud s TYR 401 Ca 0.09 0.16 0.02 0.00 0.64 0.00 0.00 57.07 57.98 1nud s TYR 401 Cb -0.12 -0.06 0.05 0.00 0.42 0.00 0.00 41.96 42.25 1nud s TYR 401 CO 0.02 -0.06 -0.13 0.34 0.64 0.00 0.00 175.55 176.37 1nud s ASP 402 N 0.42 4.15 0.46 4.32 -1.08 -1.10 -4.03 116.67 119.81 1nud s ASP 402 Ca -0.03 -1.20 0.17 0.00 -0.52 0.00 0.00 52.55 50.96 1nud s ASP 402 Cb -0.05 -1.54 1.08 0.00 -1.46 0.00 0.00 42.92 40.95 1nud s ASP 402 CO -0.01 -0.15 2.00 -1.13 0.52 0.00 0.00 175.17 176.40 1nud h ASN 403 N 7.83 0.00 0.35 -0.34 -1.24 -1.96 -1.54 115.58 118.67 1nud h ASN 403 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1nud h ASN 403 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1nud h ASN 403 CO 0.51 0.18 0.00 0.35 -1.29 0.00 0.00 177.43 177.18 1nud n THR 404 N -4.15 0.44 -0.83 -3.57 -2.24 -1.26 -3.41 114.28 99.25 1nud n THR 404 Ca -0.02 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1nud n THR 404 Cb 0.26 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1nud n THR 404 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nud n THR 405 N -1.28 0.00 -0.29 4.28 -2.24 -0.86 -4.99 114.28 108.90 1nud n THR 405 Ca 0.09 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1nud n THR 405 Cb 0.15 1.83 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 1nud n THR 405 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nud n GLY 406 N 0.00 0.66 3.75 3.38 0.00 -0.64 -4.93 105.19 107.41 1nud n GLY 406 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1nud n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nud s LYS 407 N -0.30 2.17 -0.28 1.61 1.02 -1.23 -4.92 119.74 117.81 1nud s LYS 407 Ca 0.00 1.27 -0.22 0.00 0.02 0.00 0.00 55.97 57.03 1nud s LYS 407 Cb 0.00 -1.88 0.09 0.00 -0.52 0.00 0.00 37.83 35.52 1nud s LYS 407 CO 0.00 -1.72 0.81 -1.14 -0.92 0.00 0.00 175.35 172.38 1nud s GLN 408 N -4.73 0.70 -0.17 1.68 0.74 -1.26 -2.71 119.66 113.91 1nud s GLN 408 Ca 0.63 0.92 -0.12 0.00 0.05 0.00 0.00 55.36 56.85 1nud s GLN 408 Cb -0.19 0.29 0.05 0.00 1.10 0.00 0.00 33.01 34.27 1nud s GLN 408 CO 0.54 -0.10 0.44 1.67 -0.55 0.00 0.00 175.29 177.29 1nud s TRP 409 N 0.68 -0.59 0.38 1.67 -2.14 -0.43 -4.96 118.94 113.55 1nud s TRP 409 Ca -0.02 1.30 -0.26 0.00 2.66 0.00 0.00 56.10 59.78 1nud s TRP 409 Cb -0.05 0.25 -0.12 0.00 -3.10 0.00 0.00 33.47 30.46 1nud s TRP 409 CO -0.06 -0.31 1.02 1.63 -2.66 0.00 0.00 176.95 176.56 1nud n LYS 410 N 3.77 1.41 -0.03 3.25 5.02 -1.26 -1.74 118.16 128.58 1nud n LYS 410 Ca -0.20 0.50 -0.07 0.00 -2.02 0.00 0.00 58.31 56.52 1nud n LYS 410 Cb 0.56 -2.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1nud n LYS 410 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1nud n ASN 411 N 0.76 1.14 -3.58 4.39 5.15 0.88 -4.84 115.26 119.15 1nud n ASN 411 Ca 0.09 0.18 -0.16 0.00 -0.60 0.00 0.00 54.58 54.09 1nud n ASN 411 Cb 0.37 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 39.14 1nud n ASN 411 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1nud s SER 412 N -5.98 -0.50 -0.17 1.20 1.04 -1.19 -5.02 113.70 103.08 1nud s SER 412 Ca -0.13 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1nud s SER 412 Cb 0.04 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1nud s SER 412 CO 0.18 -0.61 -0.16 -0.69 0.98 0.00 0.00 173.24 172.93 1nud s VAL 413 N -1.61 2.45 -0.17 5.02 1.01 -1.26 -1.71 120.40 124.12 1nud s VAL 413 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1nud s VAL 413 Cb -0.01 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1nud s VAL 413 CO 0.05 0.52 -0.20 0.21 0.00 0.00 0.00 175.10 175.67 1nud s ASN 414 N 1.11 3.14 -0.00 3.32 3.84 0.26 -4.98 114.94 121.61 1nud s ASN 414 Ca 0.00 -0.64 0.17 0.00 0.21 0.00 0.00 52.86 52.60 1nud s ASN 414 Cb -0.14 -1.47 0.49 0.00 -0.55 0.00 0.00 41.25 39.57 1nud s ASN 414 CO -0.06 0.02 1.41 -1.54 -2.79 0.00 0.00 177.10 174.14 1nud n SER 415 N 4.50 3.49 0.00 -4.21 3.41 -1.26 -0.32 113.62 119.22 1nud n SER 415 Ca -0.21 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1nud n SER 415 Cb 0.50 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1nud n SER 415 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nud n HIS 416 N 1.09 0.00 0.08 7.33 8.25 -1.26 -4.80 115.22 125.91 1nud n HIS 416 Ca 0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.42 1nud n HIS 416 Cb 0.54 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 1nud n HIS 416 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nud h THR 417 N 0.15 1.20 -3.43 1.59 1.03 -1.91 -3.46 112.91 108.09 1nud h THR 417 Ca 0.00 -2.56 -0.52 0.00 -0.01 0.00 0.00 66.41 63.32 1nud h THR 417 Cb 0.08 2.95 0.04 0.00 -1.07 0.00 0.00 68.15 70.15 1nud h THR 417 CO 0.00 0.78 0.66 -0.63 -0.01 0.00 0.00 175.52 176.32 1nud s ILE 418 N -2.53 3.11 -0.03 0.00 1.09 -1.26 -4.44 121.20 117.14 1nud s ILE 418 Ca -0.14 0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 60.34 1nud s ILE 418 Cb 0.04 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 1nud s ILE 418 CO 0.86 0.15 0.03 0.61 -0.10 0.00 0.00 174.94 176.49 1nud n GLY 419 N 2.19 -1.69 3.09 6.18 0.00 -0.68 -4.49 105.19 109.79 1nud n GLY 419 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1nud n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nud s ARG 420 N -0.69 0.60 -1.42 1.61 0.52 -0.58 -4.90 118.95 114.09 1nud s ARG 420 Ca 0.01 -1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 54.15 1nud s ARG 420 Cb -0.00 -0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.40 1nud s ARG 420 CO 0.06 -0.03 0.08 0.66 0.02 0.00 0.00 175.30 176.10 1nud n TYR 421 N 0.69 -1.20 -1.83 -0.53 4.02 -1.26 -2.02 117.16 115.02 1nud n TYR 421 Ca -0.18 0.50 -0.42 0.00 -0.01 0.00 0.00 57.90 57.80 1nud n TYR 421 Cb 0.58 -2.63 -0.03 0.00 -0.02 0.00 0.00 39.34 37.25 1nud n TYR 421 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nud s ILE 422 N -4.22 3.12 0.21 -0.72 1.01 -1.26 -4.54 121.20 114.80 1nud s ILE 422 Ca 0.06 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.12 1nud s ILE 422 Cb -0.03 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1nud s ILE 422 CO 0.94 -0.02 -0.16 -0.44 0.00 0.00 0.00 174.94 175.26 1nud s SER 423 N 3.42 2.73 -0.00 3.58 0.01 0.25 -0.26 113.70 123.43 1nud s SER 423 Ca 0.80 -0.99 -0.21 0.00 1.31 0.00 0.00 55.95 56.86 1nud s SER 423 Cb -0.40 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 65.71 1nud s SER 423 CO 0.35 -0.11 0.47 0.28 0.41 0.00 0.00 173.24 174.64 1nud s THR 424 N -2.70 0.04 0.55 1.44 -1.32 -0.89 -0.89 115.64 111.86 1nud s THR 424 Ca 0.22 -0.30 -0.21 0.00 -1.21 0.00 0.00 61.69 60.19 1nud s THR 424 Cb -0.02 -0.85 -0.05 0.00 -1.51 0.00 0.00 72.50 70.07 1nud s THR 424 CO 0.08 -0.17 1.29 -0.75 -2.21 0.00 0.00 174.62 172.86 1nud s LYS 425 N -1.69 3.16 0.50 7.08 2.20 -1.26 -1.13 119.74 128.59 1nud s LYS 425 Ca -0.10 2.05 -0.18 0.00 -0.36 0.00 0.00 55.97 57.38 1nud s LYS 425 Cb -0.02 -2.18 -0.08 0.00 -1.51 0.00 0.00 37.83 34.04 1nud s LYS 425 CO 0.04 -1.12 0.99 0.00 -0.36 0.00 0.00 175.35 174.89 1nud s ALA 426 N -1.41 3.02 -0.13 3.13 0.00 0.06 -4.69 121.76 121.73 1nud s ALA 426 Ca 0.72 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1nud s ALA 426 Cb -0.36 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1nud s ALA 426 CO 0.41 -0.19 1.42 0.08 0.00 0.00 0.00 175.76 177.49 1nud s VAL 427 N -2.45 4.00 0.00 0.00 1.01 -1.26 -3.15 120.40 118.55 1nud s VAL 427 Ca 0.61 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1nud s VAL 427 Cb -0.11 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1nud s VAL 427 CO 0.26 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1nud n GLY 428 N 3.86 2.56 3.54 4.51 0.00 -1.26 -5.00 105.19 113.40 1nud n GLY 428 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1nud n GLY 428 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nud s SER 429 N -1.65 0.92 -0.18 1.61 1.04 -1.19 -5.04 113.70 109.21 1nud s SER 429 Ca 0.00 -1.50 0.12 0.00 0.48 0.00 0.00 55.95 55.05 1nud s SER 429 Cb 0.00 0.72 0.67 0.00 0.10 0.00 0.00 66.02 67.51 1nud s SER 429 CO 0.00 -1.40 1.53 0.59 0.98 0.00 0.00 173.24 174.94 1nud n ASN 430 N -1.58 4.81 -4.76 7.02 3.02 -1.26 -3.49 115.26 119.01 1nud n ASN 430 Ca -0.00 -2.71 -0.36 0.00 -0.03 0.00 0.00 54.58 51.48 1nud n ASN 430 Cb 0.61 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 1nud n ASN 430 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nud s ALA 431 N -2.36 2.66 -0.33 5.41 0.00 -1.26 -4.73 121.76 121.15 1nud s ALA 431 Ca 0.45 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 1nud s ALA 431 Cb 0.33 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1nud s ALA 431 CO 0.14 -0.98 0.77 0.50 0.00 0.00 0.00 175.76 176.19 1nud s ARG 432 N -3.21 3.87 -0.35 0.00 3.52 -1.26 -0.76 118.95 120.76 1nud s ARG 432 Ca 0.74 0.44 -0.15 0.00 -0.13 0.00 0.00 55.73 56.63 1nud s ARG 432 Cb -0.29 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.33 1nud s ARG 432 CO 0.32 -0.74 0.36 1.41 -0.81 0.00 0.00 175.30 175.84 1nud s MET 433 N 2.98 3.53 -0.10 5.12 -2.45 -0.29 -4.92 119.30 123.16 1nud s MET 433 Ca 0.31 -0.45 -0.30 0.00 -1.25 0.00 0.00 55.69 54.00 1nud s MET 433 Cb -0.14 -3.82 -0.01 0.00 1.25 0.00 0.00 34.83 32.11 1nud s MET 433 CO 0.14 -0.54 1.03 0.34 1.05 0.00 0.00 175.02 177.04 1nud s ASP 434 N 1.74 7.22 -0.16 1.11 -1.08 -1.26 -2.10 116.67 122.14 1nud s ASP 434 Ca 0.11 1.56 0.16 0.00 -0.52 0.00 0.00 52.55 53.86 1nud s ASP 434 Cb -0.17 -2.56 0.34 0.00 -1.46 0.00 0.00 42.92 39.08 1nud s ASP 434 CO 0.12 -0.47 1.18 1.33 0.52 0.00 0.00 175.17 177.85 1nud n VAL 435 N 4.57 2.00 -0.16 1.11 0.24 0.65 -4.78 118.33 121.96 1nud n VAL 435 Ca 0.09 -2.66 -0.04 0.00 -2.04 0.00 0.00 64.34 59.69 1nud n VAL 435 Cb 0.48 -0.23 0.06 0.00 -1.47 0.00 0.00 33.84 32.68 1nud n VAL 435 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nud h THR 436 N 0.51 0.86 0.00 3.34 2.02 -1.92 -1.00 112.91 116.71 1nud h THR 436 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1nud h THR 436 Cb 1.01 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1nud h THR 436 CO 0.00 0.07 0.00 -0.90 0.37 0.00 0.00 175.52 175.06 1nud n ASP 437 N -4.99 0.00 -0.04 4.18 5.75 -1.26 -0.79 116.55 119.40 1nud n ASP 437 Ca 0.05 -0.32 0.04 0.00 -0.01 0.00 0.00 54.79 54.55 1nud n ASP 437 Cb 0.18 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.11 1nud n ASP 437 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nud n LYS 438 N -0.83 0.67 0.01 0.11 4.76 -0.38 -4.35 118.16 118.15 1nud n LYS 438 Ca 0.04 -0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.46 1nud n LYS 438 Cb 0.02 -1.53 -0.13 0.00 -1.84 0.00 0.00 35.03 31.55 1nud n LYS 438 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1nud n TYR 439 N -2.44 0.20 -3.69 2.13 4.02 0.03 -4.36 117.16 113.05 1nud n TYR 439 Ca -0.14 0.06 -0.09 0.00 -0.01 0.00 0.00 57.90 57.72 1nud n TYR 439 Cb 0.77 -0.57 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1nud n TYR 439 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1nud s LYS 440 N -3.47 1.55 0.83 -0.72 -2.85 -0.88 -3.05 119.74 111.14 1nud s LYS 440 Ca -0.06 -0.79 -0.12 0.00 -1.00 0.00 0.00 55.97 54.01 1nud s LYS 440 Cb 0.13 0.59 0.11 0.00 -2.06 0.00 0.00 37.83 36.60 1nud s LYS 440 CO 0.88 -0.69 1.18 0.71 0.10 0.00 0.00 175.35 177.53 1nud s TYR 441 N -3.85 2.56 0.34 1.78 1.51 -1.26 -4.29 117.35 114.14 1nud s TYR 441 Ca 0.07 0.56 -0.29 0.00 -1.01 0.00 0.00 57.07 56.41 1nud s TYR 441 Cb -0.03 -3.59 -0.11 0.00 -0.11 0.00 0.00 41.96 38.12 1nud s TYR 441 CO -0.02 -1.94 1.42 -2.14 -1.11 0.00 0.00 175.55 171.77 1nud s PRO 442 N -5.59 4.21 0.31 -1.71 0.02 -1.26 -4.80 135.00 126.18 1nud s PRO 442 Ca 0.65 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.79 1nud s PRO 442 Cb -0.09 -3.02 -0.11 0.00 0.02 0.00 0.00 34.50 31.30 1nud s PRO 442 CO 0.49 -0.40 1.55 -1.21 -0.33 0.00 0.00 177.00 177.10 1nud s GLU 443 N -1.73 4.14 0.00 5.54 0.41 -1.26 -2.74 118.70 123.06 1nud s GLU 443 Ca 0.53 2.54 0.00 0.00 -0.41 0.00 0.00 54.97 57.63 1nud s GLU 443 Cb -0.44 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1nud s GLU 443 CO 0.57 -0.58 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 1nud n GLY 444 N 1.76 0.74 3.12 -1.39 0.00 -1.26 -5.07 105.19 103.09 1nud n GLY 444 Ca 0.06 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1nud n GLY 444 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nud s SER 445 N -2.83 1.57 0.55 1.61 1.04 -1.11 -5.00 113.70 109.53 1nud s SER 445 Ca 0.00 -0.35 0.30 0.00 0.48 0.00 0.00 55.95 56.38 1nud s SER 445 Cb 0.00 -0.13 1.47 0.00 0.10 0.00 0.00 66.02 67.45 1nud s SER 445 CO 0.00 0.09 1.90 0.44 0.98 0.00 0.00 173.24 176.64 1nud h ASP 446 N 5.34 0.00 -0.12 7.02 3.32 -1.98 0.21 116.42 130.21 1nud h ASP 446 Ca -0.36 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1nud h ASP 446 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1nud h ASP 446 CO 0.46 0.00 0.07 1.56 -1.72 0.00 0.00 179.24 179.61 1nud h GLN 447 N 0.00 0.17 -0.11 3.56 7.50 -1.95 0.44 115.11 124.72 1nud h GLN 447 Ca 0.36 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.50 1nud h GLN 447 Cb 1.52 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 29.00 1nud h GLN 447 CO -0.00 0.19 -0.10 1.49 -1.50 0.00 0.00 178.83 178.90 1nud h GLU 448 N 0.10 -0.04 -0.58 1.46 4.57 -0.78 0.27 114.58 119.59 1nud h GLU 448 Ca 0.04 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1nud h GLU 448 Cb 0.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1nud h GLU 448 CO -0.01 -0.03 0.08 0.00 -1.18 0.00 0.00 179.01 177.88 1nud h ARG 449 N -0.04 0.93 -0.71 1.92 2.47 -1.52 -2.26 114.38 115.17 1nud h ARG 449 Ca 0.02 -0.23 0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1nud h ARG 449 Cb 0.09 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 28.22 1nud h ARG 449 CO -0.13 0.87 0.32 0.37 0.56 0.00 0.00 179.97 181.96 1nud h GLN 450 N 0.88 0.50 -0.17 0.04 4.15 0.59 0.16 115.11 121.26 1nud h GLN 450 Ca 0.18 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.44 1nud h GLN 450 Cb 0.40 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1nud h GLN 450 CO 0.01 0.33 -0.44 0.28 -1.93 0.00 0.00 178.83 177.08 1nud h VAL 451 N 0.52 1.32 -0.38 2.39 2.07 -0.20 -2.13 116.25 119.85 1nud h VAL 451 Ca 0.36 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1nud h VAL 451 Cb 0.45 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1nud h VAL 451 CO -0.32 0.50 0.16 0.15 0.02 0.00 0.00 177.57 178.08 1nud h PHE 452 N 0.34 0.56 -0.27 1.57 3.57 -0.36 0.38 116.94 122.73 1nud h PHE 452 Ca 0.02 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1nud h PHE 452 Cb 0.91 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1nud h PHE 452 CO 0.03 0.49 0.14 1.96 -2.23 0.00 0.00 178.31 178.70 1nud h GLN 453 N 0.47 0.29 0.21 1.11 1.08 -0.67 1.02 115.11 118.61 1nud h GLN 453 Ca 0.13 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1nud h GLN 453 Cb 0.16 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1nud h GLN 453 CO -0.01 0.19 -0.32 -0.22 -0.95 0.00 0.00 178.83 177.51 1nud h LYS 454 N 0.30 -0.58 0.55 1.46 3.64 -0.94 0.68 116.57 121.67 1nud h LYS 454 Ca 0.11 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1nud h LYS 454 Cb 0.02 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nud h LYS 454 CO -0.06 -0.39 -0.32 0.00 -2.27 0.00 0.00 179.45 176.41 1nud h ALA 455 N -0.01 -0.82 -0.93 5.00 0.00 0.14 -2.20 119.26 120.44 1nud h ALA 455 Ca 0.01 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.91 1nud h ALA 455 Cb 0.59 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1nud h ALA 455 CO -0.13 -0.97 0.53 1.25 0.00 0.00 0.00 179.25 179.92 1nud h LEU 456 N -0.82 0.69 -1.36 0.00 5.85 0.13 -0.60 115.31 119.20 1nud h LEU 456 Ca -0.07 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1nud h LEU 456 Cb 0.66 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1nud h LEU 456 CO 0.08 0.29 0.14 1.23 -0.34 0.00 0.00 178.44 179.84 1nud h GLY 457 N 0.74 0.62 2.00 3.75 0.00 0.72 -1.53 103.07 109.36 1nud h GLY 457 Ca 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1nud h GLY 457 CO -0.35 0.29 -0.08 0.50 0.00 0.00 0.00 176.54 176.90 1nud h LYS 458 N 0.57 0.00 -0.67 4.80 1.57 -0.49 -2.55 116.57 119.80 1nud h LYS 458 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1nud h LYS 458 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nud h LYS 458 CO -0.01 0.08 0.00 1.28 -0.57 0.00 0.00 179.45 180.22 1nud n LEU 459 N -3.18 4.48 0.00 2.94 4.77 -0.61 -5.01 117.00 120.39 1nud n LEU 459 Ca 0.01 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 1nud n LEU 459 Cb 0.39 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1nud n LEU 459 CO 0.30 0.83 0.00 0.29 -1.33 0.00 0.00 177.39 177.48 1nud n LYS 460 N 1.23 0.00 0.00 3.23 4.01 -0.96 -4.96 118.16 120.70 1nud n LYS 460 Ca 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1nud n LYS 460 Cb 0.81 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.33 1nud n LYS 460 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1nud n PRO 480 N 0.00 0.00 -1.62 1.97 -0.02 -1.26 -5.06 135.00 129.01 1nud n PRO 480 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1nud n PRO 480 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1nud n PRO 480 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nud n SER 481 N 0.00 6.82 -3.68 2.55 3.41 -1.26 -4.89 113.62 116.56 1nud n SER 481 Ca 0.00 -3.41 -0.11 0.00 -0.26 0.00 0.00 58.87 55.09 1nud n SER 481 Cb 0.00 -1.18 -0.11 0.00 -0.26 0.00 0.00 64.21 62.66 1nud n SER 481 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nud s ILE 482 N -3.17 -0.32 -0.14 -1.33 -1.09 -1.26 -3.97 121.20 109.93 1nud s ILE 482 Ca 0.57 0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 59.11 1nud s ILE 482 Cb 0.40 -0.56 -0.03 0.00 -1.58 0.00 0.00 42.46 40.69 1nud s ILE 482 CO -0.28 0.07 0.00 0.27 -1.23 0.00 0.00 174.94 173.77 1nud s ILE 483 N 2.01 4.27 0.00 2.92 -4.36 -1.02 -4.92 121.20 120.09 1nud s ILE 483 Ca -0.05 -0.24 -0.05 0.00 -0.26 0.00 0.00 60.65 60.06 1nud s ILE 483 Cb -0.11 -2.86 -0.00 0.00 1.25 0.00 0.00 42.46 40.74 1nud s ILE 483 CO -0.11 0.52 0.09 -0.83 0.24 0.00 0.00 174.94 174.85 1nud s GLY 484 N -0.08 0.08 -0.01 6.27 0.00 -1.25 -1.09 107.32 111.24 1nud s GLY 484 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 1nud s GLY 484 CO 0.02 -0.32 0.15 -1.59 0.00 0.00 0.00 173.10 171.37 1nud s LYS 485 N -1.25 0.45 -0.14 2.90 -2.85 0.02 -4.86 119.74 114.02 1nud s LYS 485 Ca -0.13 -0.29 -0.11 0.00 -1.00 0.00 0.00 55.97 54.44 1nud s LYS 485 Cb -0.08 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 1nud s LYS 485 CO 0.01 -0.11 0.21 -0.51 0.10 0.00 0.00 175.35 175.05 1nud s LEU 486 N -1.15 4.31 0.00 2.77 1.43 -1.26 -0.48 118.68 124.30 1nud s LEU 486 Ca -0.12 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1nud s LEU 486 Cb -0.06 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1nud s LEU 486 CO 0.02 0.25 -0.08 -0.54 0.23 0.00 0.00 176.35 176.23 1nud s LYS 487 N -0.24 0.61 0.33 1.70 1.02 -0.87 -4.98 119.74 117.31 1nud s LYS 487 Ca 0.14 -0.36 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 1nud s LYS 487 Cb -0.13 -0.57 -0.10 0.00 -0.52 0.00 0.00 37.83 36.52 1nud s LYS 487 CO 0.03 0.15 0.97 0.08 -0.92 0.00 0.00 175.35 175.66 1nud s VAL 488 N -0.36 4.09 -0.06 3.17 1.01 -1.26 -1.26 120.40 125.72 1nud s VAL 488 Ca 0.01 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1nud s VAL 488 Cb -0.04 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1nud s VAL 488 CO -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.19 1nud s ALA 489 N -1.59 0.83 0.00 5.51 0.00 0.25 -4.91 121.76 121.85 1nud s ALA 489 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1nud s ALA 489 Cb -0.20 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1nud s ALA 489 CO 0.25 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1nud n GLY 490 N 4.40 -1.19 3.71 0.00 0.00 -1.26 -3.93 105.19 106.92 1nud n GLY 490 Ca -0.19 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1nud n GLY 490 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nud s MET 491 N -1.77 4.30 -0.01 1.61 0.23 -1.26 -4.95 119.30 117.45 1nud s MET 491 Ca 0.00 0.41 -0.30 0.00 -1.03 0.00 0.00 55.69 54.77 1nud s MET 491 Cb 0.00 -3.46 -0.04 0.00 -1.53 0.00 0.00 34.83 29.80 1nud s MET 491 CO 0.00 0.09 1.12 -0.51 -2.03 0.00 0.00 175.02 173.70 1nud s LEU 492 N 0.84 4.32 -0.28 0.18 1.43 -1.26 -4.91 118.68 119.00 1nud s LEU 492 Ca 0.25 1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 54.93 1nud s LEU 492 Cb -0.15 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.60 1nud s LEU 492 CO 0.10 -0.45 0.86 0.00 0.23 0.00 0.00 176.35 177.08 1nud s ALA 493 N 1.55 -1.95 -0.20 4.21 0.00 -1.26 -2.51 121.76 121.60 1nud s ALA 493 Ca 0.55 2.10 -0.29 0.00 0.00 0.00 0.00 51.96 54.32 1nud s ALA 493 Cb -0.24 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 1nud s ALA 493 CO 0.25 -0.32 2.00 0.08 0.00 0.00 0.00 175.76 177.77 1nud s VAL 494 N 0.76 3.22 0.00 0.00 1.01 -0.50 -0.95 120.40 123.94 1nud s VAL 494 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1nud s VAL 494 Cb -0.05 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1nud s VAL 494 CO -0.08 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1nud n GLY 495 N 5.34 1.69 3.95 4.51 0.00 -1.26 -4.66 105.19 114.76 1nud n GLY 495 Ca 0.25 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1nud n GLY 495 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nud s LYS 496 N 0.00 2.94 0.33 1.61 1.02 -0.12 -4.79 119.74 120.72 1nud s LYS 496 Ca 0.00 -0.51 -0.14 0.00 0.02 0.00 0.00 55.97 55.34 1nud s LYS 496 Cb 0.00 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1nud s LYS 496 CO 0.00 -0.40 0.73 -1.83 -0.92 0.00 0.00 175.35 172.92 1nud s GLU 497 N -4.64 3.95 -0.04 1.68 -1.05 -1.26 -4.38 118.70 112.96 1nud s GLU 497 Ca 0.51 0.60 -0.21 0.00 -0.15 0.00 0.00 54.97 55.72 1nud s GLU 497 Cb -0.10 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.10 1nud s GLU 497 CO 0.39 0.14 0.61 0.08 0.95 0.00 0.00 175.26 177.42 1nud s VAL 498 N -2.03 4.99 -0.15 1.83 1.01 0.10 -4.86 120.40 121.29 1nud s VAL 498 Ca 0.53 1.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.75 1nud s VAL 498 Cb -0.10 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1nud s VAL 498 CO 0.20 0.36 0.00 0.20 0.00 0.00 0.00 175.10 175.86 1nud s ASN 499 N 0.23 2.55 0.43 3.32 0.01 -1.25 -1.02 114.94 119.21 1nud s ASN 499 Ca 0.32 -0.59 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 1nud s ASN 499 Cb -0.18 -0.65 -0.03 0.00 0.41 0.00 0.00 41.25 40.81 1nud s ASN 499 CO 0.16 -0.24 0.07 -0.76 -1.51 0.00 0.00 177.10 174.82 1nud s LEU 500 N 1.82 2.19 -0.16 0.60 1.02 0.34 0.86 118.68 125.34 1nud s LEU 500 Ca 0.01 -1.61 -0.08 0.00 0.02 0.00 0.00 54.13 52.48 1nud s LEU 500 Cb -0.15 -0.42 0.07 0.00 0.02 0.00 0.00 46.19 45.71 1nud s LEU 500 CO -0.07 -0.83 0.38 -0.69 0.02 0.00 0.00 176.35 175.16 1nud s VAL 501 N -3.07 -0.24 -0.54 -1.59 1.01 -0.39 -1.03 120.40 114.55 1nud s VAL 501 Ca 0.20 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 1nud s VAL 501 Cb 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.88 1nud s VAL 501 CO 0.11 0.06 0.89 -0.22 0.00 0.00 0.00 175.10 175.94 1nud s LEU 502 N 1.82 4.25 -0.09 3.92 2.96 0.47 -2.05 118.68 129.97 1nud s LEU 502 Ca -0.06 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 53.15 1nud s LEU 502 Cb -0.10 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1nud s LEU 502 CO -0.12 -1.17 0.75 -0.76 -1.32 0.00 0.00 176.35 173.73 1nud s LEU 503 N 3.72 4.28 0.08 -0.68 1.43 0.37 -2.10 118.68 125.78 1nud s LEU 503 Ca 0.28 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.63 1nud s LEU 503 Cb -0.14 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 1nud s LEU 503 CO 0.18 -0.19 -0.13 -0.76 0.23 0.00 0.00 176.35 175.67 1nud s LEU 504 N 1.15 2.30 -0.01 1.79 1.02 -0.88 -0.80 118.68 123.25 1nud s LEU 504 Ca 0.38 -0.65 -0.12 0.00 0.02 0.00 0.00 54.13 53.76 1nud s LEU 504 Cb -0.18 -0.48 0.02 0.00 0.02 0.00 0.00 46.19 45.57 1nud s LEU 504 CO 0.17 -0.11 0.26 -0.75 0.02 0.00 0.00 176.35 175.94 1nud s LYS 505 N -1.90 0.61 -0.38 1.70 2.20 -0.25 -0.58 119.74 121.13 1nud s LYS 505 Ca -0.01 -0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 1nud s LYS 505 Cb -0.09 0.26 0.07 0.00 -1.51 0.00 0.00 37.83 36.57 1nud s LYS 505 CO 0.02 -0.16 0.17 1.21 -0.36 0.00 0.00 175.35 176.23 1nud s ASN 506 N -1.32 5.38 0.00 1.43 2.47 -0.57 -2.44 114.94 119.88 1nud s ASN 506 Ca -0.14 -1.49 0.26 0.00 0.42 0.00 0.00 52.86 51.92 1nud s ASN 506 Cb -0.06 -1.89 1.24 0.00 -1.45 0.00 0.00 41.25 39.09 1nud s ASN 506 CO 0.03 -0.45 1.84 0.18 -3.72 0.00 0.00 177.10 174.98 1nud n LEU 507 N 4.78 0.91 -4.83 3.21 4.32 -1.25 0.92 117.00 125.06 1nud n LEU 507 Ca -0.09 -0.33 -0.36 0.00 -0.02 0.00 0.00 56.01 55.21 1nud n LEU 507 Cb 0.43 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.15 1nud n LEU 507 CO 0.34 0.17 0.34 -0.55 -1.22 0.00 0.00 177.39 176.47 1nud s SER 508 N -1.86 6.96 -0.04 -1.43 0.15 -1.26 -4.84 113.70 111.38 1nud s SER 508 Ca 0.38 1.28 0.01 0.00 0.70 0.00 0.00 55.95 58.32 1nud s SER 508 Cb 0.19 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 62.22 1nud s SER 508 CO 0.31 0.06 0.96 -2.11 1.20 0.00 0.00 173.24 173.66 1nud n ARG 509 N 0.74 1.24 -3.84 5.44 1.85 -1.26 -3.56 116.66 117.27 1nud n ARG 509 Ca -0.03 -0.35 -0.13 0.00 -1.00 0.00 0.00 57.85 56.34 1nud n ARG 509 Cb 0.51 -1.28 -0.14 0.00 -1.05 0.00 0.00 32.46 30.50 1nud n ARG 509 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1nud s ASP 510 N 0.48 -0.00 0.37 2.89 3.68 -1.26 -4.89 116.67 117.93 1nud s ASP 510 Ca 0.06 0.04 -0.28 0.00 2.13 0.00 0.00 52.55 54.50 1nud s ASP 510 Cb 0.05 0.02 -0.11 0.00 -1.45 0.00 0.00 42.92 41.43 1nud s ASP 510 CO 0.01 -0.03 1.50 -0.89 0.13 0.00 0.00 175.17 175.89 1nud s THR 511 N 0.25 2.03 0.03 1.71 2.01 -1.26 -4.24 115.64 116.17 1nud s THR 511 Ca -0.02 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1nud s THR 511 Cb -0.03 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1nud s THR 511 CO -0.01 0.01 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.27 1nud s LYS 512 N -1.99 0.81 -0.46 4.92 -0.14 0.24 -4.95 119.74 118.17 1nud s LYS 512 Ca 0.54 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.32 1nud s LYS 512 Cb -0.47 -0.77 0.08 0.00 -1.68 0.00 0.00 37.83 34.98 1nud s LYS 512 CO 0.62 0.19 0.37 0.99 -0.76 0.00 0.00 175.35 176.77 1nud s THR 513 N -0.85 5.04 -0.15 2.17 2.01 -1.26 -1.35 115.64 121.24 1nud s THR 513 Ca -0.00 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 60.82 1nud s THR 513 Cb -0.07 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1nud s THR 513 CO 0.01 -0.58 -0.05 0.54 -0.69 0.00 0.00 174.62 173.85 1nud s VAL 514 N 1.60 3.79 -0.22 3.82 0.11 -0.37 -4.08 120.40 125.05 1nud s VAL 514 Ca 0.04 -0.39 -0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1nud s VAL 514 Cb -0.24 -2.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.93 1nud s VAL 514 CO 0.06 0.50 0.02 0.42 -3.33 0.00 0.00 175.10 172.76 1nud s THR 515 N 0.36 3.97 -0.14 5.04 -4.23 -0.62 -0.58 115.64 119.44 1nud s THR 515 Ca -0.05 -0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1nud s THR 515 Cb -0.14 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 1nud s THR 515 CO 0.03 0.39 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.80 1nud s VAL 516 N 1.35 4.09 -0.17 2.29 1.01 0.12 -1.39 120.40 127.69 1nud s VAL 516 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1nud s VAL 516 Cb -0.15 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1nud s VAL 516 CO 0.01 0.51 -0.19 0.20 0.00 0.00 0.00 175.10 175.63 1nud s ASN 517 N 0.11 3.22 0.17 3.32 0.01 -0.84 -0.57 114.94 120.36 1nud s ASN 517 Ca 0.00 -0.62 0.08 0.00 -0.71 0.00 0.00 52.86 51.62 1nud s ASN 517 Cb -0.13 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.99 1nud s ASN 517 CO 0.02 0.02 -0.17 -0.04 -1.51 0.00 0.00 177.10 175.42 1nud s MET 518 N 1.18 1.26 0.12 -0.60 -1.94 0.34 -1.52 119.30 118.13 1nud s MET 518 Ca 0.02 -1.42 -0.14 0.00 -1.71 0.00 0.00 55.69 52.44 1nud s MET 518 Cb -0.14 -1.24 0.02 0.00 2.01 0.00 0.00 34.83 35.48 1nud s MET 518 CO -0.09 0.24 0.35 0.95 -0.01 0.00 0.00 175.02 176.46 1nud s THR 519 N -2.23 0.08 -0.06 2.05 -4.23 -0.95 -2.45 115.64 107.85 1nud s THR 519 Ca 0.16 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1nud s THR 519 Cb -0.05 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1nud s THR 519 CO 0.06 -0.38 0.00 0.00 -0.54 0.00 0.00 174.62 173.76 1nud s ALA 520 N -3.83 0.62 -0.04 3.99 0.00 0.70 -1.80 121.76 121.39 1nud s ALA 520 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.01 1nud s ALA 520 Cb 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1nud s ALA 520 CO -0.10 -0.37 -0.23 -1.58 0.00 0.00 0.00 175.76 173.48 1nud s TRP 521 N 1.76 2.17 0.34 0.00 0.52 -0.87 -0.31 118.94 122.55 1nud s TRP 521 Ca 0.02 -0.58 -0.26 0.00 0.02 0.00 0.00 56.10 55.30 1nud s TRP 521 Cb -0.13 -1.42 -0.10 0.00 -1.15 0.00 0.00 33.47 30.67 1nud s TRP 521 CO -0.04 -0.16 0.96 0.95 0.02 0.00 0.00 176.95 178.68 1nud s THR 522 N -0.22 4.16 0.24 2.01 -4.23 -0.14 -0.10 115.64 117.36 1nud s THR 522 Ca -0.00 1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 62.25 1nud s THR 522 Cb -0.12 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.74 1nud s THR 522 CO 0.02 0.11 0.24 0.27 -0.54 0.00 0.00 174.62 174.71 1nud s ILE 523 N -1.64 0.00 0.19 2.99 -4.36 -0.92 -1.11 121.20 116.35 1nud s ILE 523 Ca 0.51 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1nud s ILE 523 Cb -0.19 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1nud s ILE 523 CO 0.24 0.00 0.19 -0.63 0.24 0.00 0.00 174.94 174.98 1nud s ILE 524 N -3.91 4.64 0.45 8.37 -1.09 -0.88 -4.36 121.20 124.42 1nud s ILE 524 Ca 0.36 -1.11 0.32 0.00 -2.23 0.00 0.00 60.65 57.99 1nud s ILE 524 Cb 0.04 -3.43 0.32 0.00 -1.58 0.00 0.00 42.46 37.82 1nud s ILE 524 CO 0.15 -0.19 1.97 0.10 -1.23 0.00 0.00 174.94 175.74 1nud h TYR 525 N 2.02 0.00 0.00 3.97 -0.00 -1.94 -1.26 116.97 119.77 1nud h TYR 525 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 1nud h TYR 525 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 1nud h TYR 525 CO 0.56 0.00 -0.06 0.27 -0.00 0.00 0.00 178.16 178.93 1nud n ASN 526 N -2.75 0.77 0.00 0.10 2.04 -1.26 -0.28 115.26 113.88 1nud n ASN 526 Ca -0.02 0.53 0.00 0.00 -0.44 0.00 0.00 54.58 54.65 1nud n ASN 526 Cb 0.20 -0.69 0.00 0.00 -2.53 0.00 0.00 39.78 36.76 1nud n ASN 526 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1nud n GLY 527 N 1.32 0.83 3.56 4.83 0.00 -0.47 -3.63 105.19 111.63 1nud n GLY 527 Ca 0.05 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.47 1nud n GLY 527 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nud n THR 528 N 0.00 0.10 -2.76 2.61 -1.04 -1.26 -4.71 114.28 107.23 1nud n THR 528 Ca 0.00 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1nud n THR 528 Cb 0.00 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 1nud n THR 528 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nud s LEU 529 N 4.53 4.26 -0.07 -4.42 1.43 -1.26 -2.07 118.68 121.07 1nud s LEU 529 Ca 1.08 1.46 -0.05 0.00 -1.03 0.00 0.00 54.13 55.59 1nud s LEU 529 Cb -1.31 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.43 1nud s LEU 529 CO 0.69 -0.38 -0.10 0.52 0.23 0.00 0.00 176.35 177.32 1nud n VAL 530 N 4.41 0.72 -3.56 -1.59 0.31 -0.27 -5.01 118.33 113.34 1nud n VAL 530 Ca 0.07 0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 64.64 1nud n VAL 530 Cb 0.49 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1nud n VAL 530 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1nud s HIS 531 N -1.66 -0.36 -0.20 3.52 2.46 -1.24 -4.99 115.29 112.82 1nud s HIS 531 Ca -0.08 0.08 -0.19 0.00 0.47 0.00 0.00 55.06 55.34 1nud s HIS 531 Cb 0.01 0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.90 1nud s HIS 531 CO 0.12 -0.85 0.54 -2.00 -2.47 0.00 0.00 174.74 170.07 1nud s GLU 532 N -3.80 4.19 -0.02 2.88 2.12 -1.26 -0.97 118.70 121.84 1nud s GLU 532 Ca 0.04 0.44 0.15 0.00 0.36 0.00 0.00 54.97 55.96 1nud s GLU 532 Cb -0.01 -3.57 -0.22 0.00 0.26 0.00 0.00 34.13 30.59 1nud s GLU 532 CO -0.10 -0.17 0.36 1.33 -0.54 0.00 0.00 175.26 176.15 1nud n VAL 533 N 4.59 0.00 -3.80 3.70 0.24 0.58 -4.98 118.33 118.66 1nud n VAL 533 Ca -0.04 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.81 1nud n VAL 533 Cb 0.50 0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 33.01 1nud n VAL 533 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1nud s TRP 534 N -2.96 -0.23 0.01 6.34 -0.00 -1.04 -4.68 118.94 116.38 1nud s TRP 534 Ca -0.04 0.56 -0.03 0.00 -0.00 0.00 0.00 56.10 56.59 1nud s TRP 534 Cb 0.10 0.08 -0.01 0.00 -0.00 0.00 0.00 33.47 33.64 1nud s TRP 534 CO 0.62 -0.11 0.05 0.21 -0.00 0.00 0.00 176.95 177.71 1nud s LYS 535 N 0.11 0.39 0.00 5.86 2.20 -1.26 -0.22 119.74 126.82 1nud s LYS 535 Ca -0.00 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1nud s LYS 535 Cb -0.01 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1nud s LYS 535 CO 0.00 -0.08 0.00 -3.47 -0.36 0.00 0.00 175.35 171.44 1nud n ASP 536 N 1.54 0.00 -4.28 1.43 2.03 -1.03 -4.99 116.55 111.26 1nud n ASP 536 Ca -0.23 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.93 1nud n ASP 536 Cb 0.55 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.85 1nud n ASP 536 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1nud s SER 537 N 0.00 1.39 -0.30 1.67 0.01 -1.26 -0.51 113.70 114.71 1nud s SER 537 Ca 0.00 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 55.88 1nud s SER 537 Cb 0.00 0.09 0.19 0.00 0.21 0.00 0.00 66.02 66.51 1nud s SER 537 CO 0.00 -0.58 1.18 0.00 0.41 0.00 0.00 173.24 174.25 1nud s ALA 538 N -3.60 -2.65 -0.19 1.44 0.00 0.26 -5.00 121.76 112.03 1nud s ALA 538 Ca 0.27 2.02 -0.07 0.00 0.00 0.00 0.00 51.96 54.18 1nud s ALA 538 Cb 0.06 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1nud s ALA 538 CO 0.07 -0.43 0.06 0.99 0.00 0.00 0.00 175.76 176.44 1nud s THR 539 N 1.31 4.62 0.08 0.00 2.01 -1.26 0.14 115.64 122.54 1nud s THR 539 Ca -0.07 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1nud s THR 539 Cb -0.03 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1nud s THR 539 CO -0.12 0.43 -0.09 0.00 -0.69 0.00 0.00 174.62 174.15 1nud s MET 540 N 0.64 0.78 -0.46 4.92 0.23 0.25 -4.99 119.30 120.67 1nud s MET 540 Ca 0.03 -1.11 -0.05 0.00 -1.03 0.00 0.00 55.69 53.53 1nud s MET 540 Cb -0.13 -0.42 0.12 0.00 -1.53 0.00 0.00 34.83 32.87 1nud s MET 540 CO 0.02 0.06 0.29 0.45 -2.03 0.00 0.00 175.02 173.80 1nud s SER 541 N -2.37 5.41 -0.25 -1.18 0.15 -1.26 -1.23 113.70 112.98 1nud s SER 541 Ca 0.03 -2.12 -0.23 0.00 0.70 0.00 0.00 55.95 54.33 1nud s SER 541 Cb -0.03 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1nud s SER 541 CO -0.01 -0.57 0.77 -0.76 1.20 0.00 0.00 173.24 173.88 1nud s LEU 542 N 1.03 4.07 0.79 3.45 1.43 -0.46 -4.91 118.68 124.10 1nud s LEU 542 Ca 0.09 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1nud s LEU 542 Cb -0.23 -3.09 0.07 0.00 0.03 0.00 0.00 46.19 42.96 1nud s LEU 542 CO -0.03 -0.47 1.10 -1.81 0.23 0.00 0.00 176.35 175.36 1nud s ASP 543 N 1.38 4.52 0.22 2.29 1.01 -1.26 -0.59 116.67 124.24 1nud s ASP 543 Ca 0.32 1.32 -0.30 0.00 0.71 0.00 0.00 52.55 54.60 1nud s ASP 543 Cb -0.15 -2.06 -0.15 0.00 1.01 0.00 0.00 42.92 41.57 1nud s ASP 543 CO 0.08 -1.95 1.00 -2.65 0.21 0.00 0.00 175.17 171.85 1nud n PRO 544 N -3.42 1.04 0.00 8.23 -0.02 -1.26 -1.10 135.00 138.47 1nud n PRO 544 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1nud n PRO 544 Cb 0.56 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1nud n PRO 544 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nud n GLU 545 N 1.20 0.00 -1.65 -0.52 4.07 0.26 -4.92 120.64 119.09 1nud n GLU 545 Ca 0.13 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.82 1nud n GLU 545 Cb 0.27 -3.13 0.01 0.00 -0.06 0.00 0.00 31.44 28.53 1nud n GLU 545 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1nud n GLU 546 N -1.53 1.61 -4.53 5.31 2.13 -0.25 -4.38 120.64 119.00 1nud n GLU 546 Ca 0.00 0.57 -0.31 0.00 0.66 0.00 0.00 57.16 58.08 1nud n GLU 546 Cb 0.00 -2.17 -0.11 0.00 0.27 0.00 0.00 31.44 29.43 1nud n GLU 546 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1nud s GLU 547 N -2.04 2.35 0.17 5.31 2.02 -1.26 -1.52 118.70 123.72 1nud s GLU 547 Ca 0.62 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.81 1nud s GLU 547 Cb -0.55 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1nud s GLU 547 CO 0.58 0.57 -0.08 0.00 0.02 0.00 0.00 175.26 176.35 1nud s ALA 548 N -0.98 1.56 -0.34 5.21 0.00 0.25 -5.00 121.76 122.47 1nud s ALA 548 Ca 0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 1nud s ALA 548 Cb -0.11 0.13 0.13 0.00 0.00 0.00 0.00 23.12 23.27 1nud s ALA 548 CO 0.07 -0.12 0.20 -1.21 0.00 0.00 0.00 175.76 174.70 1nud s GLU 549 N -3.76 0.46 -0.37 0.00 2.02 -1.26 -2.07 118.70 113.71 1nud s GLU 549 Ca 0.19 -1.08 -0.25 0.00 0.02 0.00 0.00 54.97 53.86 1nud s GLU 549 Cb 0.03 -1.21 0.01 0.00 0.10 0.00 0.00 34.13 33.06 1nud s GLU 549 CO 0.03 -1.16 0.86 -1.58 0.02 0.00 0.00 175.26 173.43 1nud s HIS 550 N 1.37 3.09 0.37 1.61 5.65 -0.89 -4.87 115.29 121.61 1nud s HIS 550 Ca 0.16 0.67 -0.26 0.00 0.25 0.00 0.00 55.06 55.87 1nud s HIS 550 Cb -0.21 -3.55 -0.09 0.00 -1.18 0.00 0.00 32.58 27.56 1nud s HIS 550 CO -0.09 -0.79 1.14 -1.25 -0.65 0.00 0.00 174.74 173.10 1nud s PRO 551 N 3.32 4.23 -0.22 2.88 0.04 -1.26 -0.39 135.00 143.60 1nud s PRO 551 Ca 0.35 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.20 1nud s PRO 551 Cb -0.12 -2.80 0.05 0.00 0.04 0.00 0.00 34.50 31.67 1nud s PRO 551 CO 0.18 -0.15 -0.08 0.42 0.04 0.00 0.00 177.00 177.40 1nud s ILE 552 N -1.38 1.63 -0.13 0.56 1.01 -0.20 -4.90 121.20 117.79 1nud s ILE 552 Ca 0.54 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1nud s ILE 552 Cb -0.30 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1nud s ILE 552 CO 0.38 0.05 -0.16 -0.75 0.00 0.00 0.00 174.94 174.46 1nud s LYS 553 N 1.38 2.42 -0.16 2.79 2.20 -1.26 -0.50 119.74 126.60 1nud s LYS 553 Ca -0.04 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1nud s LYS 553 Cb -0.18 -2.08 0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1nud s LYS 553 CO -0.07 -0.12 -0.16 0.42 -0.36 0.00 0.00 175.35 175.06 1nud s ILE 554 N 1.13 1.76 0.64 5.43 1.01 -0.19 -4.99 121.20 125.99 1nud s ILE 554 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 1nud s ILE 554 Cb -0.14 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1nud s ILE 554 CO -0.05 0.49 1.05 -0.94 0.00 0.00 0.00 174.94 175.48 1nud s SER 555 N 1.41 5.71 0.16 3.58 1.04 -1.26 0.03 113.70 124.37 1nud s SER 555 Ca 0.05 1.63 -0.16 0.00 0.48 0.00 0.00 55.95 57.96 1nud s SER 555 Cb -0.13 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.55 1nud s SER 555 CO -0.12 -1.22 1.76 0.22 0.98 0.00 0.00 173.24 174.87 1nud h TYR 556 N -0.22 0.30 -0.93 5.02 3.20 -1.87 -1.57 116.97 120.89 1nud h TYR 556 Ca -0.45 0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.59 1nud h TYR 556 Cb 1.21 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 1nud h TYR 556 CO 0.62 0.14 0.59 0.00 -1.64 0.00 0.00 178.16 177.87 1nud h ALA 557 N 1.22 1.79 0.18 1.82 0.00 -1.95 0.32 119.26 122.64 1nud h ALA 557 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nud h ALA 557 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nud h ALA 557 CO -0.14 -0.06 -0.08 1.96 0.00 0.00 0.00 179.25 180.92 1nud h GLN 558 N 0.73 -0.23 0.00 0.00 4.20 -1.64 -3.35 115.11 114.82 1nud h GLN 558 Ca 0.48 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1nud h GLN 558 Cb 0.75 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1nud h GLN 558 CO -0.24 0.00 -1.19 2.48 -0.67 0.00 0.00 178.83 179.21 1nud n TYR 559 N -5.10 0.53 -0.29 2.96 0.18 -1.03 -4.39 117.16 110.01 1nud n TYR 559 Ca -0.09 0.15 0.16 0.00 1.88 0.00 0.00 57.90 60.00 1nud n TYR 559 Cb 0.19 -0.68 0.42 0.00 -0.38 0.00 0.00 39.34 38.88 1nud n TYR 559 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1nud h GLU 560 N 0.00 0.57 -0.27 -3.48 -0.00 -0.49 -0.21 114.58 110.70 1nud h GLU 560 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.36 59.27 1nud h GLU 560 Cb 0.90 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.50 1nud h GLU 560 CO 0.00 0.38 -0.08 0.00 -0.00 0.00 0.00 179.01 179.30 1nud h ARG 561 N 0.59 0.44 -0.06 1.06 3.08 -1.77 -3.27 114.38 114.45 1nud h ARG 561 Ca 0.51 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1nud h ARG 561 Cb 1.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1nud h ARG 561 CO -0.26 0.54 0.00 0.66 -1.07 0.00 0.00 179.97 179.84 1nud n TYR 562 N -4.24 0.08 -2.52 3.04 4.02 -0.64 -4.98 117.16 111.92 1nud n TYR 562 Ca 0.01 -0.38 -0.42 0.00 -0.01 0.00 0.00 57.90 57.10 1nud n TYR 562 Cb 0.28 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1nud n TYR 562 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1nud s LEU 563 N -0.81 4.38 0.53 7.72 2.96 -0.18 -4.76 118.68 128.51 1nud s LEU 563 Ca 0.05 1.90 0.08 0.00 -0.22 0.00 0.00 54.13 55.94 1nud s LEU 563 Cb 0.03 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.19 1nud s LEU 563 CO 0.03 -0.38 0.61 -0.54 -1.32 0.00 0.00 176.35 174.75 1nud s LYS 564 N 0.95 2.40 0.58 1.98 -0.14 -1.26 -4.94 119.74 119.31 1nud s LYS 564 Ca 0.56 -1.67 0.32 0.00 -1.36 0.00 0.00 55.97 53.82 1nud s LYS 564 Cb -0.27 -2.49 1.35 0.00 -1.68 0.00 0.00 37.83 34.74 1nud s LYS 564 CO 0.29 -0.64 1.67 0.66 -0.76 0.00 0.00 175.35 176.57 1nud h SER 565 N 0.49 0.00 -0.06 2.83 4.64 -1.90 0.31 113.55 119.85 1nud h SER 565 Ca -0.34 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1nud h SER 565 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1nud h SER 565 CO 0.47 0.00 -0.04 0.44 -0.87 0.00 0.00 176.83 176.83 1nud h ASP 566 N 0.00 0.25 -4.87 4.97 3.32 -1.93 -3.47 116.42 114.69 1nud h ASP 566 Ca 0.45 -0.04 -0.40 0.00 0.02 0.00 0.00 57.03 57.06 1nud h ASP 566 Cb 2.20 -0.06 0.09 0.00 0.22 0.00 0.00 39.33 41.77 1nud h ASP 566 CO -0.00 0.34 -0.63 0.59 -1.72 0.00 0.00 179.24 177.82 1nud n ASN 567 N -4.34 -6.19 -4.45 6.45 3.02 0.11 -4.82 115.26 105.04 1nud n ASN 567 Ca -0.00 -0.37 -0.31 0.00 -0.03 0.00 0.00 54.58 53.87 1nud n ASN 567 Cb 0.21 -4.94 -0.13 0.00 -0.61 0.00 0.00 39.78 34.31 1nud n ASN 567 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nud s MET 568 N -5.89 2.16 -0.04 3.52 -1.94 -1.26 -0.81 119.30 115.03 1nud s MET 568 Ca 0.39 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 1nud s MET 568 Cb -0.17 -2.21 0.02 0.00 2.01 0.00 0.00 34.83 34.48 1nud s MET 568 CO 0.49 0.56 -0.03 0.42 -0.01 0.00 0.00 175.02 176.45 1nud s ILE 569 N -0.86 0.40 -0.43 2.53 1.01 -0.82 -2.17 121.20 120.86 1nud s ILE 569 Ca 0.14 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 1nud s ILE 569 Cb -0.10 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.92 1nud s ILE 569 CO 0.04 0.20 0.65 -0.60 0.00 0.00 0.00 174.94 175.23 1nud s ARG 570 N 1.05 3.32 -0.19 2.79 6.06 0.86 -1.25 118.95 131.60 1nud s ARG 570 Ca -0.09 -0.31 -0.14 0.00 -2.50 0.00 0.00 55.73 52.68 1nud s ARG 570 Cb -0.14 -3.94 -0.04 0.00 0.06 0.00 0.00 34.95 30.89 1nud s ARG 570 CO -0.01 -1.00 0.33 0.42 -2.50 0.00 0.00 175.30 172.54 1nud s ILE 571 N 2.85 5.26 0.09 4.11 -1.09 -0.33 -2.05 121.20 130.05 1nud s ILE 571 Ca 0.23 0.57 0.06 0.00 -2.23 0.00 0.00 60.65 59.29 1nud s ILE 571 Cb -0.14 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1nud s ILE 571 CO 0.19 0.31 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.16 1nud s THR 572 N 0.99 1.30 -0.22 2.92 2.01 -0.75 -1.53 115.64 120.37 1nud s THR 572 Ca 0.16 -1.42 -0.03 0.00 0.31 0.00 0.00 61.69 60.71 1nud s THR 572 Cb -0.14 -1.26 0.11 0.00 0.01 0.00 0.00 72.50 71.23 1nud s THR 572 CO 0.06 -0.20 0.32 0.00 -0.69 0.00 0.00 174.62 174.11 1nud s ALA 573 N -1.34 -0.78 -0.33 7.40 0.00 0.35 -2.24 121.76 124.83 1nud s ALA 573 Ca 0.02 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 1nud s ALA 573 Cb -0.09 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1nud s ALA 573 CO 0.03 -1.19 0.18 0.08 0.00 0.00 0.00 175.76 174.86 1nud s VAL 574 N 2.47 4.75 -0.10 0.00 1.01 -0.58 0.02 120.40 127.96 1nud s VAL 574 Ca 0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1nud s VAL 574 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1nud s VAL 574 CO -0.14 0.01 0.05 0.00 0.00 0.00 0.00 175.10 175.02 1nud s LYS 576 N -0.87 -0.01 -0.08 0.00 2.47 -0.49 -0.78 119.74 119.97 1nud s LYS 576 Ca 0.13 0.35 -0.01 0.00 -1.56 0.00 0.00 55.97 54.88 1nud s LYS 576 Cb -0.12 -0.32 -0.03 0.00 -1.46 0.00 0.00 37.83 35.90 1nud s LYS 576 CO 0.03 -0.24 -0.04 0.08 0.16 0.00 0.00 175.35 175.34 1nud s VAL 577 N 1.63 3.99 0.19 4.02 1.01 -1.26 -1.58 120.40 128.40 1nud s VAL 577 Ca -0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1nud s VAL 577 Cb -0.12 -2.66 -0.17 0.00 0.00 0.00 0.00 36.38 33.43 1nud s VAL 577 CO -0.04 0.60 0.80 -2.65 0.00 0.00 0.00 175.10 173.81 1nud n PRO 578 N 2.24 0.48 -0.39 2.72 -0.02 -1.26 -1.14 135.00 137.62 1nud n PRO 578 Ca -0.18 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1nud n PRO 578 Cb 0.53 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1nud n PRO 578 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nud n ASP 579 N 1.77 0.00 -4.78 2.55 10.43 -1.26 -4.94 116.55 120.32 1nud n ASP 579 Ca 0.16 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.21 1nud n ASP 579 Cb 0.24 -1.72 -0.07 0.00 1.84 0.00 0.00 41.12 41.41 1nud n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1nud s GLU 580 N -0.52 2.94 1.03 -1.24 2.02 -0.30 -4.96 118.70 117.67 1nud s GLU 580 Ca 0.00 -0.63 -0.12 0.00 0.02 0.00 0.00 54.97 54.24 1nud s GLU 580 Cb 0.00 -2.76 0.21 0.00 0.10 0.00 0.00 34.13 31.67 1nud s GLU 580 CO 0.00 0.59 1.08 -1.12 0.02 0.00 0.00 175.26 175.83 1nud s SER 581 N -2.22 2.10 0.43 -0.19 0.01 -1.26 -4.46 113.70 108.10 1nud s SER 581 Ca 0.28 1.73 -0.17 0.00 1.31 0.00 0.00 55.95 59.10 1nud s SER 581 Cb -0.12 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 1nud s SER 581 CO 0.20 -3.54 0.88 -1.61 0.41 0.00 0.00 173.24 169.58 1nud s GLU 582 N -4.62 4.02 -0.48 12.44 8.01 -1.26 -4.59 118.70 132.22 1nud s GLU 582 Ca 0.67 0.86 -0.01 0.00 0.01 0.00 0.00 54.97 56.50 1nud s GLU 582 Cb -0.23 -2.26 0.13 0.00 -4.31 0.00 0.00 34.13 27.46 1nud s GLU 582 CO 0.61 -0.06 0.26 0.08 0.01 0.00 0.00 175.26 176.16 1nud s VAL 583 N -2.30 3.19 -0.62 2.63 1.01 0.04 -4.96 120.40 119.40 1nud s VAL 583 Ca 0.57 -2.54 -0.25 0.00 0.00 0.00 0.00 61.98 59.77 1nud s VAL 583 Cb -0.10 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1nud s VAL 583 CO 0.22 -0.75 1.06 -0.69 0.00 0.00 0.00 175.10 174.95 1nud s VAL 584 N 0.56 4.17 -0.24 2.92 1.01 -1.26 -1.64 120.40 125.92 1nud s VAL 584 Ca 0.12 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1nud s VAL 584 Cb -0.22 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.43 1nud s VAL 584 CO -0.04 -1.38 0.22 -0.69 0.00 0.00 0.00 175.10 173.21 1nud s VAL 585 N 4.52 5.32 0.06 2.92 1.01 0.10 -4.96 120.40 129.36 1nud s VAL 585 Ca 0.32 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.66 1nud s VAL 585 Cb -0.12 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1nud s VAL 585 CO 0.18 0.31 -0.17 -1.83 0.00 0.00 0.00 175.10 173.59 1nud s GLU 586 N 1.21 1.05 -0.30 2.72 -1.05 -1.26 -0.49 118.70 120.57 1nud s GLU 586 Ca 0.10 -0.91 -0.12 0.00 -0.15 0.00 0.00 54.97 53.88 1nud s GLU 586 Cb -0.14 -1.13 0.14 0.00 -0.44 0.00 0.00 34.13 32.56 1nud s GLU 586 CO 0.06 0.27 0.80 0.50 0.95 0.00 0.00 175.26 177.84 1nud s ARG 587 N -1.41 0.46 -0.06 -4.83 6.06 -0.58 -4.79 118.95 113.80 1nud s ARG 587 Ca 0.03 1.14 -0.16 0.00 -2.50 0.00 0.00 55.73 54.24 1nud s ARG 587 Cb -0.09 0.66 -0.05 0.00 0.06 0.00 0.00 34.95 35.53 1nud s ARG 587 CO 0.02 -0.15 0.42 -0.51 -2.50 0.00 0.00 175.30 172.58 1nud s ASP 588 N 2.64 6.73 0.15 -2.12 1.01 -1.26 -1.18 116.67 122.65 1nud s ASP 588 Ca -0.05 0.87 0.09 0.00 0.71 0.00 0.00 52.55 54.17 1nud s ASP 588 Cb -0.09 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1nud s ASP 588 CO -0.18 0.19 -0.16 0.27 0.21 0.00 0.00 175.17 175.50 1nud s ILE 589 N -0.34 2.90 -0.14 0.77 -4.36 -0.38 -4.96 121.20 114.69 1nud s ILE 589 Ca 0.24 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 1nud s ILE 589 Cb -0.16 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.18 1nud s ILE 589 CO 0.11 -0.02 -0.18 -0.63 0.24 0.00 0.00 174.94 174.46 1nud s ILE 590 N -1.45 1.82 -0.16 8.37 1.01 -1.26 -1.95 121.20 127.58 1nud s ILE 590 Ca 0.21 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1nud s ILE 590 Cb -0.09 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1nud s ILE 590 CO 0.12 0.50 0.27 -0.76 0.00 0.00 0.00 174.94 175.08 1nud s LEU 591 N 1.07 4.25 0.33 2.97 1.02 0.01 -4.77 118.68 123.55 1nud s LEU 591 Ca -0.03 0.49 -0.27 0.00 0.02 0.00 0.00 54.13 54.35 1nud s LEU 591 Cb -0.14 -2.34 -0.09 0.00 0.02 0.00 0.00 46.19 43.63 1nud s LEU 591 CO -0.05 0.13 1.00 -1.81 0.02 0.00 0.00 176.35 175.63 1nud s ASP 592 N 0.35 7.21 0.53 2.29 1.01 -1.05 -4.62 116.67 122.39 1nud s ASP 592 Ca 0.16 1.98 -0.17 0.00 0.71 0.00 0.00 52.55 55.23 1nud s ASP 592 Cb -0.13 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 1nud s ASP 592 CO 0.04 -0.17 1.01 0.20 0.21 0.00 0.00 175.17 176.46 1nud s ASN 593 N -1.42 6.36 0.90 0.27 0.01 -1.26 -1.41 114.94 118.39 1nud s ASN 593 Ca 0.50 1.68 -0.10 0.00 -0.71 0.00 0.00 52.86 54.23 1nud s ASN 593 Cb -0.23 -2.52 0.14 0.00 0.41 0.00 0.00 41.25 39.05 1nud s ASN 593 CO 0.29 -0.77 1.15 -2.16 -1.51 0.00 0.00 177.10 174.10 1nud s PRO 594 N -3.95 1.11 0.42 -0.60 0.04 -1.26 -4.91 135.00 125.86 1nud s PRO 594 Ca 0.61 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.95 1nud s PRO 594 Cb -0.12 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1nud s PRO 594 CO 0.31 -2.57 1.32 0.99 0.04 0.00 0.00 177.00 177.09 1nud s THR 595 N -2.62 2.51 -0.08 1.26 2.01 -1.26 -4.95 115.64 112.51 1nud s THR 595 Ca 0.67 0.45 0.02 0.00 0.31 0.00 0.00 61.69 63.15 1nud s THR 595 Cb -0.23 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1nud s THR 595 CO 0.57 0.06 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.20 1nud s LEU 596 N -2.56 1.72 0.13 4.42 2.96 -1.26 -4.40 118.68 119.69 1nud s LEU 596 Ca 0.59 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 54.23 1nud s LEU 596 Cb -0.39 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 1nud s LEU 596 CO 0.50 0.05 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.43 1nud s THR 597 N 0.70 2.10 -0.02 3.68 2.01 -0.02 -4.66 115.64 119.43 1nud s THR 597 Ca -0.13 -1.71 0.06 0.00 0.31 0.00 0.00 61.69 60.21 1nud s THR 597 Cb -0.16 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1nud s THR 597 CO 0.03 0.03 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.03 1nud s LEU 598 N -2.06 2.03 -0.07 4.42 1.43 -1.26 -0.44 118.68 122.73 1nud s LEU 598 Ca 0.12 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1nud s LEU 598 Cb -0.10 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1nud s LEU 598 CO 0.06 0.24 0.19 -1.61 0.23 0.00 0.00 176.35 175.46 1nud s GLU 599 N -0.42 0.21 -0.22 1.70 2.02 -1.02 -4.97 118.70 116.00 1nud s GLU 599 Ca 0.06 0.27 -0.12 0.00 0.02 0.00 0.00 54.97 55.21 1nud s GLU 599 Cb -0.08 0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.19 1nud s GLU 599 CO -0.00 -0.04 0.21 0.14 0.02 0.00 0.00 175.26 175.59 1nud s VAL 600 N 0.18 5.34 -2.27 2.63 -7.23 -1.26 -1.93 120.40 115.85 1nud s VAL 600 Ca -0.01 0.31 0.28 0.00 -1.81 0.00 0.00 61.98 60.76 1nud s VAL 600 Cb -0.02 -3.55 0.54 0.00 0.56 0.00 0.00 36.38 33.91 1nud s VAL 600 CO -0.00 0.36 1.78 0.18 -0.31 0.00 0.00 175.10 177.10 1nud n LEU 601 N 4.06 1.19 0.00 1.32 7.99 -0.04 -4.95 117.00 126.58 1nud n LEU 601 Ca -0.14 -0.37 -0.06 0.00 -0.01 0.00 0.00 56.01 55.43 1nud n LEU 601 Cb 0.52 -0.03 -0.01 0.00 -0.11 0.00 0.00 43.42 43.79 1nud n LEU 601 CO 0.37 0.20 0.11 -0.46 -1.51 0.00 0.00 177.39 176.10 1nud n ASN 602 N -0.16 -0.72 -4.70 -1.43 0.23 -1.26 -4.98 115.26 102.24 1nud n ASN 602 Ca 0.18 -1.85 -0.41 0.00 -0.53 0.00 0.00 54.58 51.97 1nud n ASN 602 Cb 0.32 1.31 -0.04 0.00 -2.08 0.00 0.00 39.78 39.29 1nud n ASN 602 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1nud s GLU 603 N -2.30 4.41 -0.13 -3.83 2.12 -1.26 -4.97 118.70 112.74 1nud s GLU 603 Ca 0.12 1.00 -0.27 0.00 0.36 0.00 0.00 54.97 56.18 1nud s GLU 603 Cb -0.01 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1nud s GLU 603 CO 0.09 -0.08 0.91 0.00 -0.54 0.00 0.00 175.26 175.63 1nud s ALA 604 N 1.27 3.45 0.01 6.30 0.00 -1.26 -4.91 121.76 126.61 1nud s ALA 604 Ca 0.40 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1nud s ALA 604 Cb -0.18 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1nud s ALA 604 CO 0.18 -0.58 0.03 0.50 0.00 0.00 0.00 175.76 175.89 1nud s ARG 605 N 1.97 0.30 0.20 0.00 3.52 -1.26 -1.57 118.95 122.11 1nud s ARG 605 Ca 0.43 -0.40 -0.32 0.00 -0.13 0.00 0.00 55.73 55.31 1nud s ARG 605 Cb -0.17 0.12 -0.14 0.00 -1.56 0.00 0.00 34.95 33.19 1nud s ARG 605 CO 0.16 -0.06 1.38 0.28 -0.81 0.00 0.00 175.30 176.25 1nud n VAL 606 N 1.89 0.70 -0.83 7.11 0.31 0.34 -2.02 118.33 125.82 1nud n VAL 606 Ca -0.21 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1nud n VAL 606 Cb 0.56 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1nud n VAL 606 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1nud n ARG 607 N 2.25 -0.48 -4.98 5.55 1.74 -0.45 -4.98 116.66 115.32 1nud n ARG 607 Ca 0.14 0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 57.03 1nud n ARG 607 Cb 0.29 -3.87 -0.14 0.00 -1.02 0.00 0.00 32.46 27.71 1nud n ARG 607 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nud s LYS 608 N -0.82 2.16 0.40 5.56 1.02 -0.86 -4.95 119.74 122.25 1nud s LYS 608 Ca 0.00 -0.90 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 1nud s LYS 608 Cb 0.00 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 35.05 1nud s LYS 608 CO 0.00 0.57 1.41 -2.14 -0.92 0.00 0.00 175.35 174.27 1nud s PRO 609 N -0.94 3.99 -0.11 -1.68 0.02 -1.26 -4.20 135.00 130.81 1nud s PRO 609 Ca 0.12 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 1nud s PRO 609 Cb -0.10 -2.85 0.05 0.00 0.02 0.00 0.00 34.50 31.61 1nud s PRO 609 CO 0.01 -0.57 0.06 0.54 -0.33 0.00 0.00 177.00 176.72 1nud s VAL 610 N -1.17 0.03 0.19 3.83 0.11 -0.88 -4.91 120.40 117.59 1nud s VAL 610 Ca 0.55 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.35 1nud s VAL 610 Cb -0.43 -0.47 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 1nud s VAL 610 CO 0.57 -0.04 1.09 0.20 -3.33 0.00 0.00 175.10 173.59 1nud s ASN 611 N 2.10 7.29 0.16 3.54 -0.87 -1.26 -2.30 114.94 123.59 1nud s ASN 611 Ca 0.03 2.09 0.05 0.00 -1.57 0.00 0.00 52.86 53.47 1nud s ASN 611 Cb -0.14 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 1nud s ASN 611 CO -0.06 -0.20 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.47 1nud s VAL 612 N -0.34 1.33 -0.06 1.60 1.01 0.18 -0.86 120.40 123.25 1nud s VAL 612 Ca 0.49 -2.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 1nud s VAL 612 Cb -0.29 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1nud s VAL 612 CO 0.35 -0.69 0.14 0.00 0.00 0.00 0.00 175.10 174.90 1nud s GLN 613 N -3.65 0.11 0.05 2.72 -2.07 -0.81 -0.19 119.66 115.82 1nud s GLN 613 Ca 0.18 0.31 -0.17 0.00 -1.82 0.00 0.00 55.36 53.85 1nud s GLN 613 Cb 0.01 -0.10 -0.06 0.00 -1.09 0.00 0.00 33.01 31.77 1nud s GLN 613 CO 0.02 -0.12 0.50 1.41 -1.32 0.00 0.00 175.29 175.79 1nud s MET 614 N 0.81 4.07 -0.05 9.60 -2.45 0.75 -2.45 119.30 129.58 1nud s MET 614 Ca -0.06 0.59 0.03 0.00 -1.25 0.00 0.00 55.69 54.99 1nud s MET 614 Cb -0.08 -3.21 0.01 0.00 1.25 0.00 0.00 34.83 32.80 1nud s MET 614 CO -0.04 0.65 -0.12 -0.51 1.05 0.00 0.00 175.02 176.05 1nud s LEU 615 N -1.15 1.73 -0.04 4.11 1.43 0.42 -1.87 118.68 123.31 1nud s LEU 615 Ca 0.27 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1nud s LEU 615 Cb -0.18 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.26 1nud s LEU 615 CO 0.17 0.07 0.14 0.12 0.23 0.00 0.00 176.35 177.08 1nud s PHE 616 N 0.41 -0.10 -0.10 0.29 5.36 -1.05 -0.84 117.98 121.96 1nud s PHE 616 Ca -0.09 0.23 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1nud s PHE 616 Cb -0.13 0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1nud s PHE 616 CO 0.02 -0.14 -0.14 -1.12 -1.46 0.00 0.00 175.22 172.39 1nud s SER 617 N -0.38 2.28 -0.51 6.13 0.01 -1.26 0.30 113.70 120.27 1nud s SER 617 Ca -0.05 -0.39 -0.27 0.00 1.31 0.00 0.00 55.95 56.55 1nud s SER 617 Cb -0.03 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.22 1nud s SER 617 CO 0.01 0.00 1.06 0.21 0.41 0.00 0.00 173.24 174.93 1nud s ASN 618 N 1.01 6.51 0.00 2.44 2.47 -0.43 -4.89 114.94 122.05 1nud s ASN 618 Ca -0.07 0.16 0.29 0.00 0.42 0.00 0.00 52.86 53.66 1nud s ASN 618 Cb -0.15 -2.51 1.29 0.00 -1.45 0.00 0.00 41.25 38.43 1nud s ASN 618 CO -0.01 -1.25 1.92 -0.81 -3.72 0.00 0.00 177.10 173.23 1nud n PRO 619 N 7.75 0.32 -1.93 0.43 -0.04 -1.26 0.48 135.00 140.75 1nud n PRO 619 Ca 0.08 -0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1nud n PRO 619 Cb 0.49 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.54 1nud n PRO 619 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nud s LEU 620 N -2.72 2.54 0.19 1.53 1.43 -1.26 -4.78 118.68 115.61 1nud s LEU 620 Ca 0.23 0.73 0.23 0.00 -1.03 0.00 0.00 54.13 54.29 1nud s LEU 620 Cb 0.20 -3.22 0.09 0.00 0.03 0.00 0.00 46.19 43.29 1nud s LEU 620 CO 0.51 -1.92 1.13 0.44 0.23 0.00 0.00 176.35 176.74 1nud h ASP 621 N -1.04 0.00 -2.64 2.29 3.32 -1.96 -3.26 116.42 113.13 1nud h ASP 621 Ca -0.46 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 55.96 1nud h ASP 621 Cb 1.32 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.80 1nud h ASP 621 CO 0.64 0.03 -0.58 -1.83 -1.72 0.00 0.00 179.24 175.78 1nud s GLU 622 N -3.31 2.76 0.55 3.56 -1.05 -1.26 -4.57 118.70 115.39 1nud s GLU 622 Ca 0.02 -0.98 -0.15 0.00 -0.15 0.00 0.00 54.97 53.71 1nud s GLU 622 Cb 0.10 -2.54 -0.06 0.00 -0.44 0.00 0.00 34.13 31.19 1nud s GLU 622 CO 0.77 0.46 1.01 -1.25 0.95 0.00 0.00 175.26 177.20 1nud s PRO 623 N -3.21 3.75 -0.10 -4.83 0.04 -1.26 -4.24 135.00 125.14 1nud s PRO 623 Ca 0.30 0.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 1nud s PRO 623 Cb -0.09 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1nud s PRO 623 CO 0.22 -0.44 0.20 0.14 0.04 0.00 0.00 177.00 177.16 1nud s VAL 624 N -2.73 5.39 0.15 -0.36 -7.23 -0.20 -4.96 120.40 110.46 1nud s VAL 624 Ca 0.59 0.36 0.03 0.00 -1.81 0.00 0.00 61.98 61.15 1nud s VAL 624 Cb -0.11 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 1nud s VAL 624 CO 0.38 0.60 -0.06 0.00 -0.31 0.00 0.00 175.10 175.70 1nud s ARG 625 N -0.94 1.06 -0.54 4.82 1.70 -1.26 -1.70 118.95 122.09 1nud s ARG 625 Ca 0.17 -1.47 -0.00 0.00 -0.47 0.00 0.00 55.73 53.95 1nud s ARG 625 Cb -0.13 -0.48 0.00 0.00 -0.57 0.00 0.00 34.95 33.77 1nud s ARG 625 CO 0.06 -0.00 0.45 -0.25 -1.08 0.00 0.00 175.30 174.48 1nud n ASP 626 N -0.20 -2.22 -4.63 -2.89 8.00 -1.26 -0.55 116.55 112.79 1nud n ASP 626 Ca -0.09 -0.27 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 1nud n ASP 626 Cb 0.62 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.12 39.14 1nud n ASP 626 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nud s VAL 628 N 3.06 1.95 -0.15 0.00 1.01 -0.27 -0.10 120.40 125.90 1nud s VAL 628 Ca 0.37 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1nud s VAL 628 Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1nud s VAL 628 CO 0.10 0.54 -0.01 -0.22 0.00 0.00 0.00 175.10 175.51 1nud s LEU 629 N 0.25 3.39 -0.19 3.92 0.20 0.51 -2.20 118.68 124.57 1nud s LEU 629 Ca -0.15 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.63 1nud s LEU 629 Cb -0.17 -1.82 0.03 0.00 -0.43 0.00 0.00 46.19 43.80 1nud s LEU 629 CO 0.07 0.19 -0.16 -0.04 -0.29 0.00 0.00 176.35 176.12 1nud s MET 630 N 0.23 2.62 -0.04 1.98 -1.94 0.02 -0.47 119.30 121.69 1nud s MET 630 Ca -0.01 -0.86 0.06 0.00 -1.71 0.00 0.00 55.69 53.17 1nud s MET 630 Cb -0.13 -2.51 -0.01 0.00 2.01 0.00 0.00 34.83 34.18 1nud s MET 630 CO 0.02 -0.30 -0.22 0.08 -0.01 0.00 0.00 175.02 174.59 1nud s VAL 631 N 1.31 1.82 0.32 -6.03 1.01 0.38 -0.26 120.40 118.94 1nud s VAL 631 Ca 0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1nud s VAL 631 Cb -0.14 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.74 1nud s VAL 631 CO -0.11 0.51 0.58 -1.84 0.00 0.00 0.00 175.10 174.24 1nud n GLU 632 N 2.82 0.83 0.00 2.72 0.28 -0.85 0.70 120.64 127.16 1nud n GLU 632 Ca -0.17 -2.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.83 1nud n GLU 632 Cb 0.52 2.29 0.00 0.00 1.43 0.00 0.00 31.44 35.68 1nud n GLU 632 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nud n GLY 633 N -0.46 3.04 3.69 -1.84 0.00 -1.26 -1.67 105.19 106.70 1nud n GLY 633 Ca -0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1nud n GLY 633 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nud s SER 634 N 0.00 6.46 0.00 1.61 0.01 -1.26 -1.53 113.70 118.98 1nud s SER 634 Ca 0.00 2.71 0.00 0.00 1.31 0.00 0.00 55.95 59.97 1nud s SER 634 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1nud s SER 634 CO 0.00 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.28 1nud n GLY 635 N 4.16 1.80 0.04 3.44 0.00 -1.26 -4.70 105.19 108.66 1nud n GLY 635 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1nud n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nud n LEU 636 N 0.00 0.00 -3.93 0.99 4.77 -0.70 -0.01 117.00 118.12 1nud n LEU 636 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1nud n LEU 636 Cb 0.00 0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1nud n LEU 636 CO 0.00 0.18 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.38 1nud s LEU 637 N -4.48 1.35 -0.32 2.23 1.43 -0.58 -2.88 118.68 115.42 1nud s LEU 637 Ca -0.04 -0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 1nud s LEU 637 Cb 0.03 0.99 0.01 0.00 0.03 0.00 0.00 46.19 47.25 1nud s LEU 637 CO 0.35 -0.78 0.14 -0.76 0.23 0.00 0.00 176.35 175.53 1nud s LEU 638 N -2.92 4.19 0.00 1.79 1.43 -1.26 -4.58 118.68 117.33 1nud s LEU 638 Ca 0.11 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1nud s LEU 638 Cb 0.05 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1nud s LEU 638 CO -0.06 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.88 1nud n GLY 639 N 4.94 -0.53 3.48 -3.19 0.00 -1.26 -4.82 105.19 103.81 1nud n GLY 639 Ca -0.13 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 1nud n GLY 639 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nud s ASN 640 N -4.00 4.45 -0.25 1.61 3.84 -1.26 -4.42 114.94 114.90 1nud s ASN 640 Ca 0.00 -0.16 -0.10 0.00 0.21 0.00 0.00 52.86 52.80 1nud s ASN 640 Cb 0.00 -1.46 -0.05 0.00 -0.55 0.00 0.00 41.25 39.19 1nud s ASN 640 CO 0.00 0.24 0.16 -0.22 -2.79 0.00 0.00 177.10 174.49 1nud s LEU 641 N -0.09 4.03 -0.17 3.21 2.96 0.22 -4.92 118.68 123.92 1nud s LEU 641 Ca 0.00 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1nud s LEU 641 Cb -0.13 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1nud s LEU 641 CO 0.03 0.03 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.32 1nud s LYS 642 N 1.29 3.71 -0.07 1.98 2.20 -1.26 -0.47 119.74 127.12 1nud s LYS 642 Ca 0.07 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1nud s LYS 642 Cb -0.14 -2.99 0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1nud s LYS 642 CO 0.06 0.21 0.00 0.42 -0.36 0.00 0.00 175.35 175.69 1nud s ILE 643 N 0.46 0.36 0.12 5.43 1.01 0.37 -4.97 121.20 123.98 1nud s ILE 643 Ca -0.02 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1nud s ILE 643 Cb -0.14 -0.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.75 1nud s ILE 643 CO 0.02 0.26 1.04 -1.81 0.00 0.00 0.00 174.94 174.46 1nud s ASP 644 N 1.97 7.35 -0.12 3.58 -0.00 -1.26 -0.36 116.67 127.83 1nud s ASP 644 Ca 0.05 1.92 0.03 0.00 -0.00 0.00 0.00 52.55 54.55 1nud s ASP 644 Cb -0.12 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 1nud s ASP 644 CO -0.05 -0.19 -0.22 -0.69 -0.00 0.00 0.00 175.17 174.02 1nud s VAL 645 N 0.11 2.13 0.89 -1.27 1.01 0.85 -4.95 120.40 119.18 1nud s VAL 645 Ca 0.50 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1nud s VAL 645 Cb -0.26 -1.84 0.13 0.00 0.00 0.00 0.00 36.38 34.41 1nud s VAL 645 CO 0.32 0.55 1.13 -2.16 0.00 0.00 0.00 175.10 174.94 1nud s PRO 646 N 0.56 1.23 -0.22 2.72 0.04 -1.26 -3.61 135.00 134.47 1nud s PRO 646 Ca -0.13 1.45 -0.41 0.00 0.04 0.00 0.00 61.00 61.96 1nud s PRO 646 Cb -0.17 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 1nud s PRO 646 CO 0.04 -2.45 1.59 2.41 0.04 0.00 0.00 177.00 178.63 1nud n THR 647 N -4.10 0.17 -3.63 1.26 -1.04 -1.26 -4.85 114.28 100.82 1nud n THR 647 Ca 0.11 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.72 1nud n THR 647 Cb 0.52 -0.94 -0.11 0.00 -1.82 0.00 0.00 70.33 67.99 1nud n THR 647 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1nud s LEU 648 N 2.57 3.97 1.08 -4.42 2.96 -0.69 -4.97 118.68 119.17 1nud s LEU 648 Ca 0.96 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.70 1nud s LEU 648 Cb -1.13 -2.09 0.23 0.00 0.50 0.00 0.00 46.19 43.70 1nud s LEU 648 CO 0.64 -0.02 1.18 -0.83 -1.32 0.00 0.00 176.35 176.00 1nud s GLY 649 N 1.56 1.65 0.39 7.98 0.00 -1.26 -1.03 107.32 116.61 1nud s GLY 649 Ca 0.07 -0.95 -0.27 0.00 0.00 0.00 0.00 44.72 43.57 1nud s GLY 649 CO 0.09 -0.16 1.40 2.56 0.00 0.00 0.00 173.10 176.99 1nud s PRO 650 N -5.53 4.02 0.00 2.90 0.04 -1.26 -2.50 135.00 132.67 1nud s PRO 650 Ca 0.71 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1nud s PRO 650 Cb -0.09 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1nud s PRO 650 CO 0.55 -0.53 0.00 1.63 0.04 0.00 0.00 177.00 178.68 1nud n LYS 651 N 0.29 -1.91 -3.33 4.56 4.76 0.18 -4.94 118.16 117.77 1nud n LYS 651 Ca 0.02 0.44 -0.23 0.00 -2.87 0.00 0.00 58.31 55.68 1nud n LYS 651 Cb 0.41 -4.77 -0.00 0.00 -1.84 0.00 0.00 35.03 28.83 1nud n LYS 651 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1nud s GLU 652 N -1.79 3.29 -0.08 1.97 2.02 -1.04 -4.81 118.70 118.26 1nud s GLU 652 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.52 1nud s GLU 652 Cb 0.00 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 1nud s GLU 652 CO 0.00 0.03 -0.24 0.50 0.02 0.00 0.00 175.26 175.57 1nud s ARG 653 N -4.34 2.76 0.02 1.61 3.52 -1.26 -1.31 118.95 119.95 1nud s ARG 653 Ca 0.43 -0.89 -0.17 0.00 -0.13 0.00 0.00 55.73 54.97 1nud s ARG 653 Cb -0.10 -2.23 -0.06 0.00 -1.56 0.00 0.00 34.95 31.01 1nud s ARG 653 CO 0.35 0.30 0.49 0.45 -0.81 0.00 0.00 175.30 176.09 1nud s SER 654 N 0.04 6.92 -0.24 -2.12 0.15 0.15 -4.96 113.70 113.64 1nud s SER 654 Ca -0.10 1.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.64 1nud s SER 654 Cb -0.15 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1nud s SER 654 CO 0.06 0.27 0.04 -0.60 1.20 0.00 0.00 173.24 174.20 1nud s ARG 655 N -0.94 0.88 -0.17 5.44 3.00 -1.26 -2.52 118.95 123.38 1nud s ARG 655 Ca 0.26 -0.74 -0.01 0.00 -1.00 0.00 0.00 55.73 54.24 1nud s ARG 655 Cb -0.18 -2.18 -0.01 0.00 0.00 0.00 0.00 34.95 32.58 1nud s ARG 655 CO 0.16 -0.74 -0.12 0.08 0.00 0.00 0.00 175.30 174.68 1nud s VAL 656 N 1.69 2.92 0.04 7.11 1.01 -0.78 -4.98 120.40 127.40 1nud s VAL 656 Ca 0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1nud s VAL 656 Cb -0.18 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1nud s VAL 656 CO -0.13 0.50 0.04 -0.13 0.00 0.00 0.00 175.10 175.38 1nud s ARG 657 N 0.87 2.83 0.04 2.72 0.52 -1.26 -0.17 118.95 124.51 1nud s ARG 657 Ca -0.03 -0.65 -0.27 0.00 -0.52 0.00 0.00 55.73 54.26 1nud s ARG 657 Cb -0.15 -2.71 0.09 0.00 0.52 0.00 0.00 34.95 32.70 1nud s ARG 657 CO -0.00 0.60 0.74 -0.59 0.02 0.00 0.00 175.30 176.06 1nud s PHE 658 N -1.24 -0.49 0.11 -0.53 -0.12 0.73 -4.97 117.98 111.48 1nud s PHE 658 Ca 0.24 0.46 0.07 0.00 -0.05 0.00 0.00 56.93 57.65 1nud s PHE 658 Cb -0.12 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1nud s PHE 658 CO 0.16 -0.67 -0.06 -0.51 -0.05 0.00 0.00 175.22 174.09 1nud s ASP 659 N -2.24 4.61 0.13 1.98 -0.00 -1.26 0.49 116.67 120.39 1nud s ASP 659 Ca -0.00 -0.34 0.05 0.00 -0.00 0.00 0.00 52.55 52.25 1nud s ASP 659 Cb -0.01 -0.95 -0.04 0.00 -0.00 0.00 0.00 42.92 41.92 1nud s ASP 659 CO -0.06 0.16 -0.11 0.27 -0.00 0.00 0.00 175.17 175.42 1nud s ILE 660 N -1.34 1.17 -0.35 0.77 -4.36 -0.97 -4.97 121.20 111.15 1nud s ILE 660 Ca 0.24 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1nud s ILE 660 Cb -0.11 -1.66 0.11 0.00 1.25 0.00 0.00 42.46 42.05 1nud s ILE 660 CO 0.16 -0.62 0.11 -0.22 0.24 0.00 0.00 174.94 174.61 1nud s LEU 661 N -2.82 3.21 0.41 0.37 2.96 -1.14 -2.06 118.68 119.60 1nud s LEU 661 Ca 0.12 -2.00 -0.24 0.00 -0.22 0.00 0.00 54.13 51.79 1nud s LEU 661 Cb -0.01 -1.17 -0.11 0.00 0.50 0.00 0.00 46.19 45.41 1nud s LEU 661 CO 0.01 -0.38 0.96 -2.65 -1.32 0.00 0.00 176.35 172.98 1nud n PRO 662 N 4.41 1.26 0.00 0.98 -0.02 -1.25 -4.53 135.00 135.84 1nud n PRO 662 Ca 0.02 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1nud n PRO 662 Cb 0.41 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1nud n PRO 662 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nud n SER 663 N 0.61 0.59 -3.75 2.55 3.41 0.99 -1.34 113.62 116.69 1nud n SER 663 Ca 0.10 -0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 57.69 1nud n SER 663 Cb 0.39 0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1nud n SER 663 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1nud s ARG 664 N -0.13 0.41 0.38 4.33 3.52 -1.22 -4.89 118.95 121.36 1nud s ARG 664 Ca 0.00 0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1nud s ARG 664 Cb 0.00 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 1nud s ARG 664 CO 0.00 -0.05 0.62 -1.54 -0.81 0.00 0.00 175.30 173.52 1nud s SER 665 N 0.22 6.29 0.00 -2.12 1.04 -1.26 -4.80 113.70 113.06 1nud s SER 665 Ca -0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1nud s SER 665 Cb -0.03 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1nud s SER 665 CO 0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1nud n GLY 666 N -1.88 0.29 3.56 7.32 0.00 0.05 -4.92 105.19 109.60 1nud n GLY 666 Ca -0.03 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 1nud n GLY 666 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nud s THR 667 N -0.14 3.79 0.22 2.61 2.01 -1.26 -1.02 115.64 121.84 1nud s THR 667 Ca 0.00 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.59 1nud s THR 667 Cb 0.00 -4.85 -0.03 0.00 0.01 0.00 0.00 72.50 67.62 1nud s THR 667 CO 0.00 -1.71 0.31 -0.54 -0.69 0.00 0.00 174.62 172.00 1nud s LYS 668 N 5.54 3.36 -0.28 4.92 -0.14 0.43 -4.92 119.74 128.67 1nud s LYS 668 Ca 0.38 -0.76 0.03 0.00 -1.36 0.00 0.00 55.97 54.26 1nud s LYS 668 Cb -0.08 -2.86 0.07 0.00 -1.68 0.00 0.00 37.83 33.28 1nud s LYS 668 CO 0.18 0.45 -0.06 -1.14 -0.76 0.00 0.00 175.35 174.02 1nud s GLN 669 N -3.74 1.97 -0.23 1.68 0.74 -1.26 0.41 119.66 119.22 1nud s GLN 669 Ca 0.34 -1.42 -0.21 0.00 0.05 0.00 0.00 55.36 54.12 1nud s GLN 669 Cb -0.09 -2.91 -0.02 0.00 1.10 0.00 0.00 33.01 31.09 1nud s GLN 669 CO 0.28 -0.66 0.65 -1.17 -0.55 0.00 0.00 175.29 173.84 1nud s LEU 670 N 1.10 4.10 0.11 3.68 2.96 -0.22 -4.50 118.68 125.92 1nud s LEU 670 Ca -0.04 0.79 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 1nud s LEU 670 Cb -0.20 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1nud s LEU 670 CO -0.06 -0.35 0.00 -0.76 -1.32 0.00 0.00 176.35 173.87 1nud s LEU 671 N 2.30 3.44 -0.11 -0.68 1.43 -0.67 -1.06 118.68 123.33 1nud s LEU 671 Ca 0.28 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 1nud s LEU 671 Cb -0.16 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.95 1nud s LEU 671 CO 0.09 0.15 0.28 0.00 0.23 0.00 0.00 176.35 177.10 1nud s ALA 672 N -1.43 -0.70 -0.13 4.21 0.00 -0.38 -2.00 121.76 121.34 1nud s ALA 672 Ca 0.26 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1nud s ALA 672 Cb -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1nud s ALA 672 CO 0.19 -0.15 -0.22 0.34 0.00 0.00 0.00 175.76 175.91 1nud s ASP 673 N 0.37 3.09 -0.28 0.00 2.15 0.64 -1.39 116.67 121.24 1nud s ASP 673 Ca -0.02 -0.59 0.02 0.00 0.43 0.00 0.00 52.55 52.39 1nud s ASP 673 Cb -0.03 -1.43 0.07 0.00 -0.30 0.00 0.00 42.92 41.22 1nud s ASP 673 CO -0.02 0.10 -0.06 0.12 -0.17 0.00 0.00 175.17 175.14 1nud s PHE 674 N 0.72 3.36 -0.08 -5.34 5.36 0.19 -0.80 117.98 121.39 1nud s PHE 674 Ca -0.10 -2.36 0.04 0.00 -0.96 0.00 0.00 56.93 53.55 1nud s PHE 674 Cb -0.16 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 1nud s PHE 674 CO 0.00 -0.88 -0.19 -1.12 -1.46 0.00 0.00 175.22 171.58 1nud s SER 675 N 1.12 3.60 0.24 6.13 0.01 -0.93 -1.04 113.70 122.83 1nud s SER 675 Ca -0.05 -0.37 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 1nud s SER 675 Cb -0.20 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 1nud s SER 675 CO -0.05 0.25 0.25 0.00 0.41 0.00 0.00 173.24 174.10 1nud h ASN 677 N 2.44 0.38 0.18 0.00 -1.07 -1.01 -2.49 115.58 114.01 1nud h ASN 677 Ca -0.32 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.07 1nud h ASN 677 Cb 1.25 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1nud h ASN 677 CO 0.46 0.21 -1.45 0.29 0.07 0.00 0.00 177.43 177.00 1nud n LYS 678 N -4.47 0.41 -3.51 4.14 4.76 -1.26 -4.74 118.16 113.49 1nud n LYS 678 Ca 0.13 -0.08 -0.28 0.00 -2.87 0.00 0.00 58.31 55.21 1nud n LYS 678 Cb 0.48 -1.56 -0.11 0.00 -1.84 0.00 0.00 35.03 32.00 1nud n LYS 678 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1nud s PHE 679 N -3.31 1.46 0.24 2.13 0.40 -0.94 -5.10 117.98 112.86 1nud s PHE 679 Ca -0.01 -2.36 -0.30 0.00 -0.60 0.00 0.00 56.93 53.67 1nud s PHE 679 Cb 0.14 -1.26 -0.09 0.00 0.51 0.00 0.00 43.02 42.32 1nud s PHE 679 CO 0.86 -0.78 1.24 -1.25 0.70 0.00 0.00 175.22 175.99 1nud s PRO 680 N 0.05 4.46 -0.76 0.24 0.04 -1.21 -2.26 135.00 135.55 1nud s PRO 680 Ca 0.28 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 1nud s PRO 680 Cb -0.05 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1nud s PRO 680 CO -0.14 -0.10 0.64 0.00 0.04 0.00 0.00 177.00 177.44 1nud n ALA 681 N 1.89 -2.68 -2.72 8.56 0.00 -1.25 -4.84 120.51 119.48 1nud n ALA 681 Ca 0.03 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1nud n ALA 681 Cb 0.43 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1nud n ALA 681 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nud s ILE 682 N -2.90 5.24 0.06 0.00 1.01 -0.20 -4.89 121.20 119.51 1nud s ILE 682 Ca 0.03 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.48 1nud s ILE 682 Cb -0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1nud s ILE 682 CO 0.84 0.35 0.06 -0.54 0.00 0.00 0.00 174.94 175.65 1nud s LYS 683 N 0.55 2.87 -0.01 2.79 -0.14 -1.26 -0.63 119.74 123.91 1nud s LYS 683 Ca 0.22 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 1nud s LYS 683 Cb -0.14 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 1nud s LYS 683 CO 0.07 0.59 -0.03 0.00 -0.76 0.00 0.00 175.35 175.22 1nud s ALA 684 N -1.31 0.30 -0.03 5.17 0.00 -0.49 -4.62 121.76 120.78 1nud s ALA 684 Ca 0.27 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1nud s ALA 684 Cb -0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1nud s ALA 684 CO 0.19 0.05 -0.12 1.41 0.00 0.00 0.00 175.76 177.29 1nud s MET 685 N 0.12 1.16 -0.08 0.00 0.00 -1.26 -1.25 119.30 117.99 1nud s MET 685 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 55.69 55.25 1nud s MET 685 Cb -0.04 -1.06 0.04 0.00 0.00 0.00 0.00 34.83 33.77 1nud s MET 685 CO -0.00 0.18 0.05 -1.17 0.00 0.00 0.00 175.02 174.07 1nud s LEU 686 N 0.06 0.33 -0.16 4.11 2.96 -0.23 -4.88 118.68 120.87 1nud s LEU 686 Ca -0.02 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.49 1nud s LEU 686 Cb -0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 1nud s LEU 686 CO 0.01 -0.26 0.97 -0.55 -1.32 0.00 0.00 176.35 175.20 1nud s SER 687 N 2.10 7.11 -0.09 3.68 0.15 -1.26 -1.05 113.70 124.34 1nud s SER 687 Ca 0.04 1.38 0.04 0.00 0.70 0.00 0.00 55.95 58.11 1nud s SER 687 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1nud s SER 687 CO -0.05 -0.50 -0.23 -0.63 1.20 0.00 0.00 173.24 173.03 1nud s ILE 688 N 2.43 1.97 -0.48 6.45 1.01 0.16 -4.97 121.20 127.78 1nud s ILE 688 Ca 0.44 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1nud s ILE 688 Cb -0.17 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.69 1nud s ILE 688 CO 0.13 0.54 0.39 -1.81 0.00 0.00 0.00 174.94 174.19 1nud s ASP 689 N 0.31 6.09 -0.20 3.58 1.01 -1.26 0.16 116.67 126.36 1nud s ASP 689 Ca -0.17 -1.43 -0.24 0.00 0.71 0.00 0.00 52.55 51.42 1nud s ASP 689 Cb -0.17 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 1nud s ASP 689 CO 0.08 -0.67 0.79 -0.69 0.21 0.00 0.00 175.17 174.90 1nud s VAL 690 N 1.60 4.89 0.45 -1.27 1.01 -0.19 -4.69 120.40 122.20 1nud s VAL 690 Ca 0.04 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.38 1nud s VAL 690 Cb -0.25 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1nud s VAL 690 CO 0.05 0.01 0.91 0.00 0.00 0.00 0.00 175.10 176.07 1nud s ALA 691 N 2.34 3.14 -2.00 5.51 0.00 -0.61 -0.77 121.76 129.37 1nud s ALA 691 Ca 0.35 0.17 0.21 0.00 0.00 0.00 0.00 51.96 52.70 1nud s ALA 691 Cb -0.16 -3.02 1.28 0.00 0.00 0.00 0.00 23.12 21.22 1nud s ALA 691 CO 0.10 -0.02 1.66 -1.91 0.00 0.00 0.00 175.76 175.60