#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5r n GLU 2 N 0.00 0.52 -4.38 2.12 0.00 -1.26 -4.96 120.64 112.69 3g5r n GLU 2 Ca 0.00 0.33 -0.27 0.00 0.00 0.00 0.00 57.16 57.23 3g5r n GLU 2 Cb 0.00 -1.54 -0.12 0.00 0.00 0.00 0.00 31.44 29.78 3g5r n GLU 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3g5r s ARG 3 N -2.62 1.37 0.02 5.31 0.52 -1.26 -4.77 118.95 117.52 3g5r s ARG 3 Ca -0.27 -1.38 -0.28 0.00 -0.52 0.00 0.00 55.73 53.29 3g5r s ARG 3 Cb 0.05 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 3g5r s ARG 3 CO 0.40 0.39 0.89 0.08 0.02 0.00 0.00 175.30 177.08 3g5r s VAL 4 N -1.37 4.79 0.04 3.52 1.01 -0.39 -4.71 120.40 123.29 3g5r s VAL 4 Ca 0.15 1.89 -0.24 0.00 0.00 0.00 0.00 61.98 63.77 3g5r s VAL 4 Cb -0.09 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3g5r s VAL 4 CO 0.07 0.25 0.74 0.20 0.00 0.00 0.00 175.10 176.36 3g5r s ASN 5 N 0.55 7.18 -0.14 3.32 0.01 -0.31 -0.84 114.94 124.71 3g5r s ASN 5 Ca 0.46 1.41 0.01 0.00 -0.71 0.00 0.00 52.86 54.03 3g5r s ASN 5 Cb -0.21 -2.46 0.02 0.00 0.41 0.00 0.00 41.25 39.01 3g5r s ASN 5 CO 0.26 0.03 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.02 3g5r s VAL 6 N -0.09 1.71 -0.37 1.60 1.01 -0.38 -0.21 120.40 123.67 3g5r s VAL 6 Ca 0.38 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3g5r s VAL 6 Cb -0.20 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.64 3g5r s VAL 6 CO 0.22 0.48 0.20 -0.69 0.00 0.00 0.00 175.10 175.32 3g5r s VAL 7 N 1.25 4.55 0.00 2.92 1.01 0.38 -0.79 120.40 129.72 3g5r s VAL 7 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3g5r s VAL 7 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3g5r s VAL 7 CO -0.08 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.40 3g5r n GLY 8 N 4.99 2.09 2.58 4.51 0.00 0.35 -0.54 105.19 119.18 3g5r n GLY 8 Ca -0.12 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 3g5r n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5r n ALA 9 N 2.22 5.54 -1.58 4.61 0.00 -1.24 -3.92 120.51 126.14 3g5r n ALA 9 Ca 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.23 3g5r n ALA 9 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3g5r n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5r n GLY 10 N -0.53 1.49 0.11 0.00 0.00 -1.26 -0.73 105.19 104.27 3g5r n GLY 10 Ca 0.45 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 3g5r n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g5r h LEU 11 N 0.00 0.24 -0.07 0.99 -0.00 -1.87 -1.79 115.31 112.80 3g5r h LEU 11 Ca 0.00 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.69 3g5r h LEU 11 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 3g5r h LEU 11 CO 0.00 0.31 -0.16 0.00 -0.00 0.00 0.00 178.44 178.58 3g5r h ALA 12 N 0.94 0.11 -0.73 1.53 0.00 -1.88 -3.01 119.26 116.22 3g5r h ALA 12 Ca 0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3g5r h ALA 12 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3g5r h ALA 12 CO -0.01 0.03 0.23 0.78 0.00 0.00 0.00 179.25 180.29 3g5r h GLY 13 N -0.26 1.22 0.98 0.00 0.00 -1.68 -0.26 103.07 103.07 3g5r h GLY 13 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3g5r h GLY 13 CO 0.04 0.67 0.27 1.76 0.00 0.00 0.00 176.54 179.27 3g5r h SER 14 N 1.09 0.65 -0.19 0.19 0.02 -1.39 0.07 113.55 113.99 3g5r h SER 14 Ca 0.24 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 3g5r h SER 14 Cb 0.30 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3g5r h SER 14 CO -0.01 0.57 -0.42 -0.08 -1.14 0.00 0.00 176.83 175.75 3g5r h GLU 15 N 0.68 0.74 -0.20 3.45 4.57 -1.35 -1.40 114.58 121.07 3g5r h GLU 15 Ca 0.18 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3g5r h GLU 15 Cb 0.07 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3g5r h GLU 15 CO -0.03 1.02 0.10 0.00 -1.18 0.00 0.00 179.01 178.92 3g5r h ALA 16 N 0.93 0.25 -0.32 2.92 0.00 -0.79 -0.93 119.26 121.32 3g5r h ALA 16 Ca 0.04 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3g5r h ALA 16 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3g5r h ALA 16 CO 0.09 -0.20 0.18 0.00 0.00 0.00 0.00 179.25 179.32 3g5r h ALA 17 N 0.98 0.40 -0.95 0.00 0.00 -0.95 -1.89 119.26 116.85 3g5r h ALA 17 Ca 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3g5r h ALA 17 Cb 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3g5r h ALA 17 CO -0.01 -0.19 0.62 2.35 0.00 0.00 0.00 179.25 182.03 3g5r h TRP 18 N 0.37 1.18 -0.45 0.00 2.91 -1.06 -0.26 115.95 118.64 3g5r h TRP 18 Ca 0.13 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.15 3g5r h TRP 18 Cb 0.01 -0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 28.25 3g5r h TRP 18 CO -0.08 0.71 0.18 1.15 -1.03 0.00 0.00 178.44 179.37 3g5r h THR 19 N 1.24 1.20 -0.22 2.65 2.02 -0.79 -0.03 112.91 118.99 3g5r h THR 19 Ca 0.36 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3g5r h THR 19 Cb -0.08 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3g5r h THR 19 CO -0.10 0.24 0.14 -0.07 0.37 0.00 0.00 175.52 176.10 3g5r h LEU 20 N 0.59 0.23 -0.72 2.58 3.38 -0.91 -2.68 115.31 117.79 3g5r h LEU 20 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3g5r h LEU 20 Cb 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3g5r h LEU 20 CO -0.01 0.17 0.43 -0.07 0.09 0.00 0.00 178.44 179.05 3g5r h LEU 21 N 0.28 0.87 -2.00 1.67 3.38 -0.77 -1.22 115.31 117.53 3g5r h LEU 21 Ca 0.08 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g5r h LEU 21 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3g5r h LEU 21 CO -0.02 0.68 0.06 0.03 0.09 0.00 0.00 178.44 179.28 3g5r h ARG 22 N 0.99 0.00 -0.33 1.13 3.08 -0.81 -0.22 114.38 118.21 3g5r h ARG 22 Ca 0.26 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3g5r h ARG 22 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3g5r h ARG 22 CO -0.05 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 3g5r n LEU 23 N -4.52 2.30 -0.03 3.04 4.77 -0.76 -4.69 117.00 117.11 3g5r n LEU 23 Ca -0.01 -1.06 -0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3g5r n LEU 23 Cb 0.16 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3g5r n LEU 23 CO 0.34 0.53 -0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3g5r n GLY 24 N 1.23 0.44 3.62 -0.72 0.00 -0.10 -5.02 105.19 104.64 3g5r n GLY 24 Ca 0.16 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 3g5r n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5r s VAL 25 N -2.01 5.21 0.35 1.61 1.01 -0.53 -5.00 120.40 121.04 3g5r s VAL 25 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 3g5r s VAL 25 Cb 0.00 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 3g5r s VAL 25 CO 0.00 0.20 1.52 -2.84 0.00 0.00 0.00 175.10 173.98 3g5r s PRO 26 N 1.80 4.12 0.04 2.72 0.02 -1.26 -3.85 135.00 138.59 3g5r s PRO 26 Ca 0.14 2.57 0.08 0.00 0.02 0.00 0.00 61.00 63.81 3g5r s PRO 26 Cb -0.15 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 3g5r s PRO 26 CO 0.09 -0.56 -0.23 0.08 -0.33 0.00 0.00 177.00 176.05 3g5r s VAL 27 N -0.72 1.82 -0.33 3.83 1.01 -0.77 -1.26 120.40 124.00 3g5r s VAL 27 Ca 0.56 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3g5r s VAL 27 Cb -0.47 -1.57 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3g5r s VAL 27 CO 0.57 0.29 0.05 -0.60 0.00 0.00 0.00 175.10 175.41 3g5r s ARG 28 N -1.12 2.27 -0.32 2.72 3.52 -0.02 -1.28 118.95 124.72 3g5r s ARG 28 Ca 0.09 -1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.14 3g5r s ARG 28 Cb -0.09 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3g5r s ARG 28 CO 0.02 -0.74 0.21 -1.17 -0.81 0.00 0.00 175.30 172.80 3g5r s LEU 29 N 1.21 4.30 -0.11 -0.88 2.96 0.30 -1.25 118.68 125.20 3g5r s LEU 29 Ca -0.01 -0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 53.39 3g5r s LEU 29 Cb -0.20 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3g5r s LEU 29 CO -0.02 -0.18 0.36 -0.36 -1.32 0.00 0.00 176.35 174.82 3g5r s PHE 30 N 1.70 3.54 -0.08 5.38 0.40 0.03 -0.61 117.98 128.34 3g5r s PHE 30 Ca 0.06 0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 57.11 3g5r s PHE 30 Cb -0.17 -2.36 0.04 0.00 0.51 0.00 0.00 43.02 41.05 3g5r s PHE 30 CO 0.09 0.35 0.14 -2.00 0.70 0.00 0.00 175.22 174.50 3g5r s GLU 31 N 0.06 0.01 0.31 0.44 2.56 -0.52 -0.49 118.70 121.08 3g5r s GLU 31 Ca 0.20 0.53 0.15 0.00 0.00 0.00 0.00 54.97 55.85 3g5r s GLU 31 Cb -0.14 -0.31 0.46 0.00 2.00 0.00 0.00 34.13 36.14 3g5r s GLU 31 CO 0.08 -0.31 1.64 0.00 -0.56 0.00 0.00 175.26 176.11 3g5r h MET 32 N 8.34 0.00 -6.83 4.30 -0.00 -1.83 -2.89 114.93 116.03 3g5r h MET 32 Ca -0.14 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 59.04 3g5r h MET 32 Cb 1.12 0.00 0.05 0.00 -0.00 0.00 0.00 31.60 32.77 3g5r h MET 32 CO 0.15 0.51 0.62 1.03 -0.00 0.00 0.00 176.91 179.23 3g5r s ARG 33 N -3.50 4.40 -0.13 -0.10 0.52 -1.13 -0.49 118.95 118.52 3g5r s ARG 33 Ca -0.00 2.13 0.18 0.00 -0.52 0.00 0.00 55.73 57.52 3g5r s ARG 33 Cb 0.11 -3.11 0.74 0.00 0.52 0.00 0.00 34.95 33.21 3g5r s ARG 33 CO 0.73 -0.15 1.65 -0.35 0.02 0.00 0.00 175.30 177.21 3g5r n PRO 34 N 1.26 3.89 -0.24 3.54 -0.04 -1.26 -4.88 135.00 137.27 3g5r n PRO 34 Ca 0.01 -2.94 -0.08 0.00 -0.04 0.00 0.00 63.50 60.46 3g5r n PRO 34 Cb 0.42 -1.95 0.04 0.00 -0.04 0.00 0.00 33.50 31.98 3g5r n PRO 34 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3g5r h LYS 35 N 4.13 1.09 -4.57 0.54 3.64 -1.10 -3.41 116.57 116.88 3g5r h LYS 35 Ca 0.00 -0.27 -0.45 0.00 -1.27 0.00 0.00 60.65 58.66 3g5r h LYS 35 Cb 1.52 -0.14 -0.32 0.00 -0.41 0.00 0.00 32.23 32.89 3g5r h LYS 35 CO 0.26 0.98 -0.79 1.03 -2.27 0.00 0.00 179.45 178.66 3g5r s ARG 36 N -5.29 1.16 0.07 1.90 1.81 -0.14 -5.10 118.95 113.36 3g5r s ARG 36 Ca -0.12 -0.32 0.04 0.00 -1.72 0.00 0.00 55.73 53.60 3g5r s ARG 36 Cb 0.14 -1.04 -0.04 0.00 -0.45 0.00 0.00 34.95 33.56 3g5r s ARG 36 CO 0.84 0.08 0.01 -1.64 -0.68 0.00 0.00 175.30 173.92 3g5r s MET 37 N 0.37 2.66 0.68 3.54 -1.94 -1.26 -2.85 119.30 120.49 3g5r s MET 37 Ca -0.07 -0.76 -0.09 0.00 -1.71 0.00 0.00 55.69 53.06 3g5r s MET 37 Cb -0.11 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.16 3g5r s MET 37 CO 0.01 0.56 1.03 0.95 -0.01 0.00 0.00 175.02 177.56 3g5r s THR 38 N -1.28 3.11 -0.21 2.05 -4.23 -1.26 -4.97 115.64 108.84 3g5r s THR 38 Ca 0.25 0.11 0.25 0.00 -1.18 0.00 0.00 61.69 61.12 3g5r s THR 38 Cb -0.12 -3.31 0.26 0.00 1.34 0.00 0.00 72.50 70.67 3g5r s THR 38 CO 0.17 -0.37 1.76 -0.65 -0.54 0.00 0.00 174.62 175.00 3g5r h PRO 39 N -0.54 0.00 0.00 3.99 0.11 -2.00 -3.20 132.00 130.36 3g5r h PRO 39 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3g5r h PRO 39 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3g5r h PRO 39 CO 0.62 0.00 -1.87 0.00 -0.21 0.00 0.00 178.00 176.55 3g5r n ALA 40 N -1.82 2.11 -2.18 -0.75 0.00 -1.26 -5.01 120.51 111.60 3g5r n ALA 40 Ca -0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 3g5r n ALA 40 Cb 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 3g5r n ALA 40 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3g5r s HIS 41 N -2.73 3.40 0.00 0.00 3.76 -1.21 -4.87 115.29 113.64 3g5r s HIS 41 Ca -0.07 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.98 3g5r s HIS 41 Cb 0.07 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.28 3g5r s HIS 41 CO 0.63 0.06 0.11 0.41 -0.85 0.00 0.00 174.74 175.10 3g5r n GLY 42 N -0.57 0.46 3.55 -2.22 0.00 -1.26 -4.73 105.19 100.43 3g5r n GLY 42 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3g5r n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g5r s THR 43 N -0.45 0.80 -1.10 2.61 -4.23 -1.26 -5.04 115.64 106.96 3g5r s THR 43 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 3g5r s THR 43 Cb 0.00 -2.38 0.63 0.00 1.34 0.00 0.00 72.50 72.09 3g5r s THR 43 CO 0.00 0.00 1.54 -0.90 -0.54 0.00 0.00 174.62 174.72 3g5r n ASP 44 N -1.22 4.32 -4.81 3.99 5.75 -1.26 -4.77 116.55 118.54 3g5r n ASP 44 Ca -0.08 -2.39 -0.35 0.00 -0.01 0.00 0.00 54.79 51.96 3g5r n ASP 44 Cb 0.66 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 3g5r n ASP 44 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3g5r s ARG 45 N -1.72 4.32 0.42 0.11 1.81 -1.26 -4.81 118.95 117.82 3g5r s ARG 45 Ca 0.46 1.06 -0.24 0.00 -1.72 0.00 0.00 55.73 55.28 3g5r s ARG 45 Cb 0.29 -2.61 -0.08 0.00 -0.45 0.00 0.00 34.95 32.10 3g5r s ARG 45 CO 0.23 0.21 1.19 -0.06 -0.68 0.00 0.00 175.30 176.19 3g5r s PHE 46 N -1.79 2.95 -1.48 -0.53 0.08 -1.26 -3.60 117.98 112.35 3g5r s PHE 46 Ca 0.52 1.53 -0.07 0.00 0.12 0.00 0.00 56.93 59.02 3g5r s PHE 46 Cb -0.14 -3.43 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 3g5r s PHE 46 CO 0.19 -1.52 0.78 0.00 -0.10 0.00 0.00 175.22 174.58 3g5r n ALA 47 N -0.12 -1.10 -1.73 5.36 0.00 0.10 -4.53 120.51 118.49 3g5r n ALA 47 Ca 0.05 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3g5r n ALA 47 Cb 0.47 -4.29 -0.02 0.00 0.00 0.00 0.00 19.45 15.61 3g5r n ALA 47 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3g5r n GLU 48 N -4.33 2.61 -3.11 0.00 2.13 -1.24 -4.53 120.64 112.17 3g5r n GLU 48 Ca -0.06 0.93 -0.43 0.00 0.66 0.00 0.00 57.16 58.27 3g5r n GLU 48 Cb 0.59 -2.71 -0.07 0.00 0.27 0.00 0.00 31.44 29.52 3g5r n GLU 48 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3g5r s ILE 49 N 0.25 4.85 -0.62 6.31 -1.09 -1.26 -4.82 121.20 124.82 3g5r s ILE 49 Ca 0.67 0.26 0.24 0.00 -2.23 0.00 0.00 60.65 59.60 3g5r s ILE 49 Cb -0.53 -4.16 0.11 0.00 -1.58 0.00 0.00 42.46 36.31 3g5r s ILE 49 CO 0.45 -0.50 1.41 -0.37 -1.23 0.00 0.00 174.94 174.70 3g5r h VAL 50 N 5.81 0.00 0.00 2.92 -1.51 -1.93 -3.47 116.25 118.07 3g5r h VAL 50 Ca -0.26 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3g5r h VAL 50 Cb 1.10 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3g5r h VAL 50 CO 0.87 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.21 3g5r n SER 52 N 0.00 2.06 -1.02 0.00 2.88 -1.26 -4.91 113.62 111.37 3g5r n SER 52 Ca 0.00 0.91 0.09 0.00 -1.33 0.00 0.00 58.87 58.54 3g5r n SER 52 Cb 0.00 -1.52 0.24 0.00 -0.75 0.00 0.00 64.21 62.18 3g5r n SER 52 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3g5r n ASN 53 N -1.06 2.96 -4.76 -3.46 6.94 -1.26 -4.91 115.26 109.70 3g5r n ASN 53 Ca 0.12 -2.01 -0.38 0.00 -0.02 0.00 0.00 54.58 52.30 3g5r n ASN 53 Cb 0.46 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 3g5r n ASN 53 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3g5r s SER 54 N -0.99 6.74 0.00 0.53 0.15 -1.26 -1.33 113.70 117.53 3g5r s SER 54 Ca 0.37 0.88 0.23 0.00 0.70 0.00 0.00 55.95 58.13 3g5r s SER 54 Cb 0.19 -2.28 0.46 0.00 -1.71 0.00 0.00 66.02 62.69 3g5r s SER 54 CO 0.25 0.13 1.42 0.18 1.20 0.00 0.00 173.24 176.42 3g5r n LEU 55 N 2.95 3.36 0.00 3.45 4.77 0.17 -4.92 117.00 126.79 3g5r n LEU 55 Ca -0.10 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 3g5r n LEU 55 Cb 0.52 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3g5r n LEU 55 CO 0.41 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3g5r n GLY 56 N 1.49 2.39 3.75 -0.72 0.00 -1.24 -4.71 105.19 106.14 3g5r n GLY 56 Ca 0.19 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 3g5r n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5r s GLY 57 N 0.00 2.88 -0.00 -0.02 0.00 -1.26 -1.00 107.32 107.91 3g5r s GLY 57 Ca 0.00 1.30 0.21 0.00 0.00 0.00 0.00 44.72 46.23 3g5r s GLY 57 CO 0.00 1.80 0.86 1.18 0.00 0.00 0.00 173.10 176.95 3g5r n GLU 58 N -1.05 0.09 -1.22 2.90 1.02 0.25 -1.88 120.64 120.75 3g5r n GLU 58 Ca 0.10 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 3g5r n GLU 58 Cb 0.45 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.49 3g5r n GLU 58 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3g5r s GLY 59 N -3.09 2.07 0.00 0.62 0.00 -1.26 -4.69 107.32 100.97 3g5r s GLY 59 Ca 0.07 0.71 0.19 0.00 0.00 0.00 0.00 44.72 45.69 3g5r s GLY 59 CO 0.87 1.11 1.59 1.18 0.00 0.00 0.00 173.10 177.85 3g5r n GLU 60 N -3.23 0.26 -0.24 2.90 1.02 -1.26 -1.49 120.64 118.61 3g5r n GLU 60 Ca 0.12 0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.46 3g5r n GLU 60 Cb 0.51 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.65 3g5r n GLU 60 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3g5r n THR 61 N -1.29 0.80 -4.14 2.62 -2.24 -1.26 -4.00 114.28 104.76 3g5r n THR 61 Ca 0.09 -0.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 3g5r n THR 61 Cb 0.16 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 68.95 3g5r n THR 61 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3g5r s ASN 62 N -1.11 4.96 0.26 3.42 3.84 -0.55 -4.96 114.94 120.80 3g5r s ASN 62 Ca 0.35 -0.14 -0.05 0.00 0.21 0.00 0.00 52.86 53.24 3g5r s ASN 62 Cb 0.19 -1.84 0.31 0.00 -0.55 0.00 0.00 41.25 39.36 3g5r s ASN 62 CO 0.26 0.10 1.88 0.00 -2.79 0.00 0.00 177.10 176.56 3g5r h ALA 63 N 7.19 1.24 -0.16 1.71 0.00 -1.88 0.10 119.26 127.46 3g5r h ALA 63 Ca -0.35 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3g5r h ALA 63 Cb 1.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3g5r h ALA 63 CO 0.63 0.62 -0.17 0.87 0.00 0.00 0.00 179.25 181.19 3g5r h LYS 64 N 1.16 0.26 -0.69 0.00 1.57 -1.81 -1.99 116.57 115.07 3g5r h LYS 64 Ca 0.29 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3g5r h LYS 64 Cb 0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3g5r h LYS 64 CO -0.05 0.43 0.35 0.78 -0.57 0.00 0.00 179.45 180.40 3g5r h GLY 65 N 0.83 1.04 0.95 3.86 0.00 -0.28 0.52 103.07 109.99 3g5r h GLY 65 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3g5r h GLY 65 CO 0.03 0.47 0.16 -2.00 0.00 0.00 0.00 176.54 175.20 3g5r h LEU 66 N 0.95 0.61 -0.97 3.11 5.85 -0.96 -1.72 115.31 122.18 3g5r h LEU 66 Ca 0.24 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3g5r h LEU 66 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3g5r h LEU 66 CO -0.03 0.63 0.30 0.25 -0.34 0.00 0.00 178.44 179.25 3g5r h LEU 67 N 0.56 0.95 -0.36 2.25 5.85 -0.93 -0.29 115.31 123.33 3g5r h LEU 67 Ca 0.14 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3g5r h LEU 67 Cb 0.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3g5r h LEU 67 CO -0.01 0.84 0.23 1.56 -0.34 0.00 0.00 178.44 180.72 3g5r h GLN 68 N 1.03 0.46 -0.61 1.25 4.20 -0.70 -0.78 115.11 119.96 3g5r h GLN 68 Ca 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 3g5r h GLN 68 Cb 0.17 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3g5r h GLN 68 CO -0.02 0.30 0.29 0.00 -0.67 0.00 0.00 178.83 178.73 3g5r h ALA 69 N 1.14 0.78 -0.48 3.87 0.00 -0.72 -1.09 119.26 122.77 3g5r h ALA 69 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g5r h ALA 69 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3g5r h ALA 69 CO -0.04 0.35 0.31 0.93 0.00 0.00 0.00 179.25 180.79 3g5r h GLU 70 N 0.83 0.60 -0.23 0.00 5.08 -0.84 -1.43 114.58 118.60 3g5r h GLU 70 Ca 0.21 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3g5r h GLU 70 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3g5r h GLU 70 CO -0.03 0.40 -0.24 0.52 -1.00 0.00 0.00 179.01 178.66 3g5r h MET 71 N 0.62 0.44 -0.32 2.33 2.86 -0.82 -1.06 114.93 118.98 3g5r h MET 71 Ca 0.18 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3g5r h MET 71 Cb -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3g5r h MET 71 CO -0.06 0.65 0.07 0.00 1.06 0.00 0.00 176.91 178.64 3g5r h ARG 72 N 0.39 0.52 -0.65 1.72 3.08 -0.94 -1.20 114.38 117.30 3g5r h ARG 72 Ca 0.06 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.07 3g5r h ARG 72 Cb 0.64 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 3g5r h ARG 72 CO 0.05 0.60 0.43 0.00 -1.07 0.00 0.00 179.97 179.98 3g5r h ARG 73 N 0.36 0.49 0.00 0.04 2.47 -0.85 -0.88 114.38 116.01 3g5r h ARG 73 Ca 0.10 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3g5r h ARG 73 Cb 0.31 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3g5r h ARG 73 CO 0.00 0.32 0.00 0.00 0.56 0.00 0.00 179.97 180.86 3g5r n ALA 74 N -2.50 2.28 -1.64 0.04 0.00 -0.44 -4.91 120.51 113.34 3g5r n ALA 74 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3g5r n ALA 74 Cb 0.35 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3g5r n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5r n GLY 75 N 1.38 0.44 3.64 0.00 0.00 -0.34 -4.99 105.19 105.32 3g5r n GLY 75 Ca 0.07 -0.90 -0.47 0.00 0.00 0.00 0.00 46.02 44.71 3g5r n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3g5r n SER 76 N 1.90 2.48 -0.24 1.61 2.88 -0.50 -4.91 113.62 116.84 3g5r n SER 76 Ca 0.00 1.11 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 3g5r n SER 76 Cb 0.34 -1.35 0.04 0.00 -0.75 0.00 0.00 64.21 62.49 3g5r n SER 76 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3g5r h LEU 77 N 4.93 1.05 -0.66 2.46 5.85 -1.93 -1.77 115.31 125.24 3g5r h LEU 77 Ca -0.45 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.02 3g5r h LEU 77 Cb 1.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3g5r h LEU 77 CO 0.81 1.04 0.43 0.58 -0.34 0.00 0.00 178.44 180.96 3g5r h VAL 78 N 1.02 1.15 -0.30 1.05 2.07 -1.95 0.59 116.25 119.88 3g5r h VAL 78 Ca 0.20 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 3g5r h VAL 78 Cb 0.43 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3g5r h VAL 78 CO 0.01 0.16 -0.33 0.24 0.02 0.00 0.00 177.57 177.67 3g5r h MET 79 N 0.87 0.64 0.17 1.57 2.86 -1.88 0.54 114.93 119.70 3g5r h MET 79 Ca 0.25 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3g5r h MET 79 Cb -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3g5r h MET 79 CO -0.07 0.88 -0.08 1.49 1.06 0.00 0.00 176.91 180.20 3g5r h GLU 80 N 0.54 -0.22 -0.98 1.72 4.81 -0.93 -0.73 114.58 118.79 3g5r h GLU 80 Ca 0.06 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3g5r h GLU 80 Cb 0.83 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 3g5r h GLU 80 CO 0.07 -0.14 0.65 0.00 -0.73 0.00 0.00 179.01 178.85 3g5r h ALA 81 N 0.60 1.26 -0.26 2.92 0.00 -0.76 -2.21 119.26 120.83 3g5r h ALA 81 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g5r h ALA 81 Cb 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3g5r h ALA 81 CO 0.04 0.60 0.03 0.00 0.00 0.00 0.00 179.25 179.92 3g5r h ALA 82 N 1.37 0.34 -0.95 0.00 0.00 -0.68 -1.49 119.26 117.85 3g5r h ALA 82 Ca 0.37 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3g5r h ALA 82 Cb -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3g5r h ALA 82 CO -0.09 0.04 0.63 -0.44 0.00 0.00 0.00 179.25 179.39 3g5r h ASP 83 N 0.23 1.09 1.25 0.00 3.32 -0.92 -1.48 116.42 119.90 3g5r h ASP 83 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3g5r h ASP 83 Cb 0.35 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3g5r h ASP 83 CO 0.01 0.79 0.00 -0.07 -1.72 0.00 0.00 179.24 178.25 3g5r h LEU 84 N 1.29 0.00 -3.10 1.55 3.38 -1.26 -3.14 115.31 114.03 3g5r h LEU 84 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3g5r h LEU 84 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3g5r h LEU 84 CO -0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.45 3g5r n ALA 85 N -1.87 2.62 -1.66 1.53 0.00 -0.58 -5.03 120.51 115.52 3g5r n ALA 85 Ca 0.04 -1.84 -0.45 0.00 0.00 0.00 0.00 53.44 51.19 3g5r n ALA 85 Cb 0.36 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 3g5r n ALA 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g5r n ARG 86 N -0.18 1.97 -4.37 0.00 1.74 -0.69 -0.48 116.66 114.65 3g5r n ARG 86 Ca 0.17 0.70 -0.21 0.00 -0.77 0.00 0.00 57.85 57.73 3g5r n ARG 86 Cb 0.68 -2.34 -0.11 0.00 -1.02 0.00 0.00 32.46 29.68 3g5r n ARG 86 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3g5r s VAL 87 N -0.15 1.95 0.27 1.55 -7.23 -0.39 -4.76 120.40 111.65 3g5r s VAL 87 Ca 0.68 -2.12 -0.31 0.00 -1.81 0.00 0.00 61.98 58.42 3g5r s VAL 87 Cb -0.66 -2.02 -0.12 0.00 0.56 0.00 0.00 36.38 34.14 3g5r s VAL 87 CO 0.51 -0.42 1.53 -2.65 -0.31 0.00 0.00 175.10 173.76 3g5r n PRO 88 N -0.12 2.45 -3.58 4.82 -0.02 -1.26 -4.38 135.00 132.91 3g5r n PRO 88 Ca -0.10 0.87 -0.02 0.00 -2.02 0.00 0.00 63.50 62.24 3g5r n PRO 88 Cb 0.59 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 3g5r n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g5r s ALA 89 N 0.00 -2.22 -0.38 3.55 0.00 -1.26 -4.95 121.76 116.49 3g5r s ALA 89 Ca 0.66 2.26 -0.27 0.00 0.00 0.00 0.00 51.96 54.61 3g5r s ALA 89 Cb -0.55 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 3g5r s ALA 89 CO 0.49 -0.70 2.11 0.20 0.00 0.00 0.00 175.76 177.85 3g5r s GLY 90 N 2.20 0.27 0.00 0.00 0.00 -1.26 -3.17 107.32 105.37 3g5r s GLY 90 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3g5r s GLY 90 CO -0.18 3.70 0.00 0.61 0.00 0.00 0.00 173.10 177.23 3g5r n GLY 91 N 5.73 2.94 3.66 0.20 0.00 -1.26 -4.99 105.19 111.46 3g5r n GLY 91 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 3g5r n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5r s ALA 92 N -2.76 3.18 -0.37 4.61 0.00 -1.19 -0.58 121.76 124.65 3g5r s ALA 92 Ca 0.00 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 3g5r s ALA 92 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.14 3g5r s ALA 92 CO 0.00 0.50 0.72 -1.17 0.00 0.00 0.00 175.76 175.81 3g5r s LEU 93 N -2.88 4.20 0.08 0.00 2.96 -0.17 -4.53 118.68 118.33 3g5r s LEU 93 Ca 0.27 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.46 3g5r s LEU 93 Cb -0.09 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3g5r s LEU 93 CO 0.18 -0.69 -0.16 0.00 -1.32 0.00 0.00 176.35 174.36 3g5r s ALA 94 N 2.95 1.38 0.14 5.97 0.00 -1.26 0.45 121.76 131.39 3g5r s ALA 94 Ca 0.28 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.22 3g5r s ALA 94 Cb -0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3g5r s ALA 94 CO 0.17 0.22 -0.15 0.14 0.00 0.00 0.00 175.76 176.14 3g5r s VAL 95 N -1.26 1.47 -0.44 0.00 -7.23 -0.44 -1.27 120.40 111.23 3g5r s VAL 95 Ca 0.01 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.05 3g5r s VAL 95 Cb -0.10 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3g5r s VAL 95 CO 0.03 -0.44 1.50 -0.62 -0.31 0.00 0.00 175.10 175.26 3g5r s ASP 96 N -2.66 6.15 0.24 4.85 -1.08 0.37 -4.79 116.67 119.75 3g5r s ASP 96 Ca 0.13 0.76 -0.06 0.00 -0.52 0.00 0.00 52.55 52.86 3g5r s ASP 96 Cb -0.04 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.22 3g5r s ASP 96 CO 0.04 -1.59 1.84 0.03 0.52 0.00 0.00 175.17 176.01 3g5r h ARG 97 N 11.39 0.88 -0.30 4.34 3.08 -1.94 -0.41 114.38 131.42 3g5r h ARG 97 Ca -0.28 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.55 3g5r h ARG 97 Cb 1.12 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3g5r h ARG 97 CO 1.10 0.58 -0.46 0.93 -1.07 0.00 0.00 179.97 181.06 3g5r h GLU 98 N 0.91 0.80 -0.45 0.04 3.07 -1.97 -1.70 114.58 115.28 3g5r h GLU 98 Ca 0.37 -0.45 -0.12 0.00 -0.50 0.00 0.00 59.36 58.65 3g5r h GLU 98 Cb 0.21 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3g5r h GLU 98 CO -0.19 1.09 -0.21 1.49 -1.40 0.00 0.00 179.01 179.79 3g5r h GLU 99 N 0.64 0.91 0.57 2.33 4.57 -1.84 -0.24 114.58 121.51 3g5r h GLU 99 Ca 0.04 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 3g5r h GLU 99 Cb 1.04 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.59 3g5r h GLU 99 CO 0.10 1.02 -0.28 0.35 -1.18 0.00 0.00 179.01 179.03 3g5r h PHE 100 N 0.79 -0.71 -0.08 0.92 3.04 -0.94 -1.29 116.94 118.66 3g5r h PHE 100 Ca 0.11 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.90 3g5r h PHE 100 Cb 0.76 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 3g5r h PHE 100 CO 0.05 -0.43 -0.56 0.66 -2.02 0.00 0.00 178.31 176.00 3g5r h SER 101 N -0.80 0.28 -0.56 0.41 4.64 -1.34 -2.58 113.55 113.59 3g5r h SER 101 Ca -0.08 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3g5r h SER 101 Cb 0.60 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3g5r h SER 101 CO 0.13 0.78 0.19 1.23 -0.87 0.00 0.00 176.83 178.29 3g5r h GLY 102 N 1.41 0.93 0.83 -0.77 0.00 -0.98 -1.05 103.07 103.44 3g5r h GLY 102 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3g5r h GLY 102 CO 0.09 0.50 0.03 -1.82 0.00 0.00 0.00 176.54 175.34 3g5r h TYR 103 N 0.78 0.30 -0.52 5.60 3.20 -1.14 -1.67 116.97 123.52 3g5r h TYR 103 Ca 0.18 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3g5r h TYR 103 Cb 0.25 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3g5r h TYR 103 CO 0.01 0.43 0.34 0.82 -1.64 0.00 0.00 178.16 178.12 3g5r h ILE 104 N 0.08 1.11 -0.56 1.81 2.04 -1.37 -1.11 117.51 119.52 3g5r h ILE 104 Ca 0.05 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3g5r h ILE 104 Cb 0.29 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3g5r h ILE 104 CO 0.00 0.12 0.28 0.74 0.00 0.00 0.00 178.15 179.30 3g5r h THR 105 N 0.68 1.20 -0.55 -0.27 2.02 -1.10 -1.87 112.91 113.02 3g5r h THR 105 Ca 0.20 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 3g5r h THR 105 Cb -0.05 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3g5r h THR 105 CO -0.06 0.22 0.01 -0.33 0.37 0.00 0.00 175.52 175.74 3g5r h GLU 106 N 0.76 0.97 -0.46 6.66 5.08 -0.99 -1.03 114.58 125.57 3g5r h GLU 106 Ca 0.19 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 3g5r h GLU 106 Cb 0.10 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3g5r h GLU 106 CO -0.03 0.97 -0.22 0.00 -1.00 0.00 0.00 179.01 178.73 3g5r h ARG 107 N 0.85 0.94 0.20 2.33 3.08 -1.00 -1.66 114.38 119.12 3g5r h ARG 107 Ca 0.16 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3g5r h ARG 107 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3g5r h ARG 107 CO 0.03 1.06 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.82 3g5r h LEU 108 N 0.81 -0.23 -2.27 3.04 3.38 -1.29 -3.17 115.31 115.60 3g5r h LEU 108 Ca 0.11 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3g5r h LEU 108 Cb 0.78 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3g5r h LEU 108 CO 0.06 0.25 -0.02 0.71 0.09 0.00 0.00 178.44 179.53 3g5r h THR 109 N -0.78 0.68 0.00 0.22 1.35 -1.22 -0.76 112.91 112.41 3g5r h THR 109 Ca -0.03 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3g5r h THR 109 Cb 0.51 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3g5r h THR 109 CO 0.04 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3g5r n GLY 110 N -1.31 -1.43 3.70 5.82 0.00 -0.63 -4.84 105.19 106.50 3g5r n GLY 110 Ca -0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3g5r n GLY 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3g5r s HIS 111 N -2.92 3.60 0.47 1.61 5.04 -0.29 -4.93 115.29 117.86 3g5r s HIS 111 Ca 0.16 1.64 0.31 0.00 -1.54 0.00 0.00 55.06 55.63 3g5r s HIS 111 Cb 0.19 -3.13 1.66 0.00 0.04 0.00 0.00 32.58 31.34 3g5r s HIS 111 CO 0.50 -0.09 2.15 -1.35 -2.34 0.00 0.00 174.74 173.61 3g5r h PRO 112 N 6.92 0.00 -0.09 2.88 0.11 -1.88 -2.28 132.00 137.66 3g5r h PRO 112 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3g5r h PRO 112 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g5r h PRO 112 CO 0.79 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.93 3g5r n LEU 113 N -3.58 1.45 -4.51 2.35 4.77 -1.26 -4.87 117.00 111.35 3g5r n LEU 113 Ca -0.02 -0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 55.05 3g5r n LEU 113 Cb 0.18 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3g5r n LEU 113 CO 0.28 0.28 -0.28 -0.22 -1.33 0.00 0.00 177.39 176.11 3g5r s LEU 114 N -1.77 3.51 -0.20 2.23 2.96 -0.86 -1.84 118.68 122.72 3g5r s LEU 114 Ca 0.35 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3g5r s LEU 114 Cb 0.19 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3g5r s LEU 114 CO 0.30 0.06 0.04 -0.70 -1.32 0.00 0.00 176.35 174.73 3g5r s GLU 115 N 1.05 3.81 -0.19 1.98 2.12 -0.40 -4.91 118.70 122.16 3g5r s GLU 115 Ca 0.04 -0.42 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 3g5r s GLU 115 Cb -0.14 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 3g5r s GLU 115 CO 0.03 0.13 0.09 0.08 -0.54 0.00 0.00 175.26 175.05 3g5r s VAL 116 N 0.74 5.09 -0.25 3.70 1.01 -1.26 -0.54 120.40 128.88 3g5r s VAL 116 Ca 0.02 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3g5r s VAL 116 Cb -0.14 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.98 3g5r s VAL 116 CO 0.02 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 3g5r s VAL 117 N 0.32 2.38 -1.30 2.92 1.01 0.22 -4.95 120.40 121.00 3g5r s VAL 117 Ca 0.06 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 3g5r s VAL 117 Cb -0.12 -2.30 0.14 0.00 0.00 0.00 0.00 36.38 34.11 3g5r s VAL 117 CO -0.01 0.10 1.85 0.54 0.00 0.00 0.00 175.10 177.58 3g5r n ARG 118 N 4.53 3.41 -3.98 2.72 5.12 -1.26 -1.43 116.66 125.77 3g5r n ARG 118 Ca -0.16 -3.40 -0.09 0.00 -1.93 0.00 0.00 57.85 52.27 3g5r n ARG 118 Cb 0.44 -3.05 -0.10 0.00 -1.16 0.00 0.00 32.46 28.60 3g5r n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g5r s GLU 119 N 1.36 0.56 -0.08 5.56 0.41 -1.09 -4.82 118.70 120.60 3g5r s GLU 119 Ca 0.42 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.82 3g5r s GLU 119 Cb 0.08 0.21 -0.02 0.00 -1.78 0.00 0.00 34.13 32.62 3g5r s GLU 119 CO -0.01 -0.13 1.08 -2.00 -0.49 0.00 0.00 175.26 173.72 3g5r s GLU 120 N -2.84 4.40 -0.19 1.61 2.12 -1.26 -3.26 118.70 119.28 3g5r s GLU 120 Ca -0.03 1.50 -0.27 0.00 0.36 0.00 0.00 54.97 56.53 3g5r s GLU 120 Cb 0.00 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 3g5r s GLU 120 CO -0.06 -0.36 0.92 0.08 -0.54 0.00 0.00 175.26 175.31 3g5r s VAL 121 N 2.04 4.79 -0.45 3.70 1.01 -1.26 -4.92 120.40 125.30 3g5r s VAL 121 Ca 0.51 1.81 0.11 0.00 0.00 0.00 0.00 61.98 64.41 3g5r s VAL 121 Cb -0.21 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 3g5r s VAL 121 CO 0.20 -0.06 0.45 0.54 0.00 0.00 0.00 175.10 176.22 3g5r n ARG 122 N 5.71 2.78 -4.10 2.72 1.74 -1.26 -4.29 116.66 119.96 3g5r n ARG 122 Ca 0.08 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 3g5r n ARG 122 Cb 0.48 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.73 3g5r n ARG 122 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3g5r s GLU 123 N -2.19 0.63 -0.05 5.56 0.41 -1.26 -4.24 118.70 117.56 3g5r s GLU 123 Ca 0.03 -0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 53.36 3g5r s GLU 123 Cb 0.08 -0.30 -0.06 0.00 -1.78 0.00 0.00 34.13 32.07 3g5r s GLU 123 CO 0.47 0.04 1.77 0.42 -0.49 0.00 0.00 175.26 177.47 3g5r s ILE 124 N -2.00 3.40 0.17 -1.63 1.01 -1.26 -4.93 121.20 115.95 3g5r s ILE 124 Ca -0.03 0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.78 3g5r s ILE 124 Cb -0.06 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 3g5r s ILE 124 CO -0.01 -0.06 1.55 -2.84 0.00 0.00 0.00 174.94 173.58 3g5r s PRO 125 N 4.32 4.23 0.64 2.79 0.02 -1.26 -4.98 135.00 140.75 3g5r s PRO 125 Ca 0.79 2.34 -0.18 0.00 0.02 0.00 0.00 61.00 63.97 3g5r s PRO 125 Cb -0.35 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.00 3g5r s PRO 125 CO 0.33 -0.58 1.22 -2.14 -0.33 0.00 0.00 177.00 175.50 3g5r s PRO 126 N 1.00 2.71 0.00 5.54 0.02 -1.26 -4.76 135.00 138.25 3g5r s PRO 126 Ca 0.69 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3g5r s PRO 126 Cb -0.43 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3g5r s PRO 126 CO 0.32 -1.41 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 3g5r n GLY 127 N 0.51 0.34 3.64 0.52 0.00 -1.26 -4.89 105.19 104.04 3g5r n GLY 127 Ca 0.14 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3g5r n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g5r s ILE 128 N 0.00 5.33 -0.09 -0.61 1.01 -1.26 -4.70 121.20 120.87 3g5r s ILE 128 Ca 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 3g5r s ILE 128 Cb 0.00 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.98 3g5r s ILE 128 CO 0.00 0.30 0.22 -0.89 0.00 0.00 0.00 174.94 174.58 3g5r s THR 129 N 1.32 -0.03 -0.22 2.92 2.01 -0.43 -1.17 115.64 120.04 3g5r s THR 129 Ca 0.08 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 3g5r s THR 129 Cb -0.14 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 3g5r s THR 129 CO 0.07 0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.40 3g5r s VAL 130 N 1.05 4.19 -0.25 3.82 1.01 0.70 -1.04 120.40 129.88 3g5r s VAL 130 Ca -0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3g5r s VAL 130 Cb -0.09 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3g5r s VAL 130 CO -0.07 0.39 0.39 -0.76 0.00 0.00 0.00 175.10 175.06 3g5r s LEU 131 N 1.20 4.08 -0.35 3.92 1.43 0.36 -0.47 118.68 128.85 3g5r s LEU 131 Ca 0.04 0.39 0.15 0.00 -1.03 0.00 0.00 54.13 53.67 3g5r s LEU 131 Cb -0.14 -2.47 0.42 0.00 0.03 0.00 0.00 46.19 44.02 3g5r s LEU 131 CO 0.02 -0.15 0.97 0.00 0.23 0.00 0.00 176.35 177.42 3g5r n ALA 132 N 5.05 2.54 1.26 4.21 0.00 0.30 -1.40 120.51 132.47 3g5r n ALA 132 Ca -0.08 -2.82 0.13 0.00 0.00 0.00 0.00 53.44 50.67 3g5r n ALA 132 Cb 0.51 -0.96 0.34 0.00 0.00 0.00 0.00 19.45 19.34 3g5r n ALA 132 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g5r n THR 133 N -0.04 0.00 -2.57 0.00 -2.24 -1.21 -4.36 114.28 103.85 3g5r n THR 133 Ca 0.10 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3g5r n THR 133 Cb 0.78 0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3g5r n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g5r n GLY 134 N 1.30 -2.15 0.26 3.38 0.00 -1.26 -2.76 105.19 103.96 3g5r n GLY 134 Ca 0.14 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.83 3g5r n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g5r h PRO 135 N 0.00 0.00 -0.69 1.61 0.13 -1.91 -2.48 132.00 128.66 3g5r h PRO 135 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 3g5r h PRO 135 Cb 0.01 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 3g5r h PRO 135 CO 0.00 0.12 -0.23 1.28 -0.23 0.00 0.00 178.00 178.94 3g5r n LEU 136 N -3.57 5.32 -4.51 1.56 4.77 -1.26 -0.98 117.00 118.32 3g5r n LEU 136 Ca -0.02 -4.38 -0.56 0.00 -0.03 0.00 0.00 56.01 51.02 3g5r n LEU 136 Cb 0.25 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 3g5r n LEU 136 CO 0.30 1.73 0.60 0.41 -1.33 0.00 0.00 177.39 179.10 3g5r n THR 137 N -0.88 0.19 -1.65 -5.08 -1.04 -0.93 -4.86 114.28 100.04 3g5r n THR 137 Ca 0.45 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 62.03 3g5r n THR 137 Cb 0.91 -0.20 0.05 0.00 -1.82 0.00 0.00 70.33 69.27 3g5r n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3g5r n SER 138 N 1.76 1.23 -0.27 8.00 3.41 -1.26 -4.75 113.62 121.74 3g5r n SER 138 Ca 0.19 0.85 0.01 0.00 -0.26 0.00 0.00 58.87 59.66 3g5r n SER 138 Cb 0.12 -1.43 0.21 0.00 -0.26 0.00 0.00 64.21 62.85 3g5r n SER 138 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3g5r h GLU 139 N 0.70 1.07 -0.44 4.33 4.57 -1.98 -1.60 114.58 121.24 3g5r h GLU 139 Ca -0.49 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 57.67 3g5r h GLU 139 Cb 1.35 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.66 3g5r h GLU 139 CO 0.52 0.71 0.20 0.00 -1.18 0.00 0.00 179.01 179.26 3g5r h ALA 140 N 1.49 0.55 -0.04 2.92 0.00 -1.90 0.42 119.26 122.69 3g5r h ALA 140 Ca 0.32 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 3g5r h ALA 140 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3g5r h ALA 140 CO -0.08 -0.17 -0.82 1.25 0.00 0.00 0.00 179.25 179.43 3g5r h LEU 141 N 0.40 0.46 -0.36 0.00 5.85 -1.63 -1.27 115.31 118.76 3g5r h LEU 141 Ca 0.20 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3g5r h LEU 141 Cb 0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3g5r h LEU 141 CO -0.16 1.10 0.24 0.00 -0.34 0.00 0.00 178.44 179.28 3g5r h ALA 142 N 0.88 0.46 -0.51 1.25 0.00 -1.03 0.63 119.26 120.94 3g5r h ALA 142 Ca -0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3g5r h ALA 142 Cb 1.43 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3g5r h ALA 142 CO 0.14 -0.09 0.26 0.93 0.00 0.00 0.00 179.25 180.49 3g5r h GLU 143 N 0.48 0.48 -0.96 0.00 5.08 -0.78 -1.05 114.58 117.84 3g5r h GLU 143 Ca 0.13 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3g5r h GLU 143 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 3g5r h GLU 143 CO -0.04 0.32 0.63 0.00 -1.00 0.00 0.00 179.01 178.93 3g5r h ALA 144 N 1.28 1.23 -0.52 3.43 0.00 -0.64 -0.80 119.26 123.24 3g5r h ALA 144 Ca 0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3g5r h ALA 144 Cb 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3g5r h ALA 144 CO -0.16 0.58 -0.10 -0.07 0.00 0.00 0.00 179.25 179.50 3g5r h LEU 145 N 1.27 0.97 -0.74 0.00 3.38 -0.45 -2.14 115.31 117.61 3g5r h LEU 145 Ca 0.36 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3g5r h LEU 145 Cb -0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 3g5r h LEU 145 CO -0.09 1.08 0.32 0.11 0.09 0.00 0.00 178.44 179.95 3g5r h LYS 146 N 0.87 1.08 -0.52 1.13 1.57 -0.67 -1.07 116.57 118.96 3g5r h LYS 146 Ca 0.14 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3g5r h LYS 146 Cb 0.65 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3g5r h LYS 146 CO 0.04 0.87 0.09 0.00 -0.57 0.00 0.00 179.45 179.88 3g5r h ARG 147 N 1.04 0.82 0.23 3.15 3.08 -0.96 -0.32 114.38 121.43 3g5r h ARG 147 Ca 0.25 -0.18 -0.34 0.00 0.07 0.00 0.00 59.98 59.77 3g5r h ARG 147 Cb 0.17 -0.11 0.03 0.00 0.08 0.00 0.00 29.97 30.13 3g5r h ARG 147 CO -0.03 0.77 -1.58 -0.09 -1.07 0.00 0.00 179.97 177.97 3g5r h ARG 148 N 0.78 0.49 0.00 0.04 2.43 -1.13 -3.40 114.38 113.59 3g5r h ARG 148 Ca 0.17 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3g5r h ARG 148 Cb 0.35 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3g5r h ARG 148 CO 0.01 1.40 -0.68 1.19 -1.51 0.00 0.00 179.97 180.37 3g5r n PHE 149 N -3.67 0.00 0.00 2.20 3.72 -0.43 -5.09 117.46 114.19 3g5r n PHE 149 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3g5r n PHE 149 Cb 1.10 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 3g5r n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g5r n GLY 150 N 1.44 3.58 0.30 1.37 0.00 -0.13 -4.76 105.19 106.99 3g5r n GLY 150 Ca 0.01 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.66 3g5r n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g5r h ASP 151 N 0.00 0.48 0.20 1.61 5.19 -1.89 -1.98 116.42 120.02 3g5r h ASP 151 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3g5r h ASP 151 Cb 0.00 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3g5r h ASP 151 CO 0.00 0.18 0.00 1.41 -3.12 0.00 0.00 179.24 177.71 3g5r n HIS 152 N -4.90 0.00 0.34 4.55 8.25 -1.26 -3.34 115.22 118.85 3g5r n HIS 152 Ca 0.17 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 3g5r n HIS 152 Cb 0.45 -0.10 0.20 0.00 1.12 0.00 0.00 29.99 31.66 3g5r n HIS 152 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3g5r n PHE 153 N -1.10 0.44 -4.46 4.41 3.72 -0.74 -4.84 117.46 114.89 3g5r n PHE 153 Ca 0.20 -0.23 -0.22 0.00 -0.05 0.00 0.00 57.45 57.14 3g5r n PHE 153 Cb 0.15 -0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.53 3g5r n PHE 153 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3g5r s LEU 154 N -1.48 1.66 0.15 4.37 0.20 -1.21 -1.02 118.68 121.36 3g5r s LEU 154 Ca 0.36 -0.23 0.08 0.00 0.69 0.00 0.00 54.13 55.03 3g5r s LEU 154 Cb 0.22 -0.67 -0.04 0.00 -0.43 0.00 0.00 46.19 45.27 3g5r s LEU 154 CO 0.30 0.04 -0.08 0.00 -0.29 0.00 0.00 176.35 176.32 3g5r s ALA 155 N 0.49 2.99 -0.48 5.97 0.00 -0.27 -4.98 121.76 125.47 3g5r s ALA 155 Ca -0.09 -1.38 0.20 0.00 0.00 0.00 0.00 51.96 50.69 3g5r s ALA 155 Cb -0.13 -0.83 -0.26 0.00 0.00 0.00 0.00 23.12 21.90 3g5r s ALA 155 CO 0.02 0.53 0.64 0.66 0.00 0.00 0.00 175.76 177.61 3g5r n TYR 156 N 0.23 0.00 -4.03 0.00 4.01 -1.26 -1.45 117.16 114.67 3g5r n TYR 156 Ca -0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.51 3g5r n TYR 156 Cb 0.54 -0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 39.23 3g5r n TYR 156 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3g5r s TYR 157 N -3.12 0.51 0.16 -0.72 1.51 -1.18 -0.85 117.35 113.65 3g5r s TYR 157 Ca 0.00 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 3g5r s TYR 157 Cb 0.14 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.63 3g5r s TYR 157 CO 0.82 -0.13 0.23 0.16 -1.11 0.00 0.00 175.55 175.52 3g5r s ASP 158 N -1.58 6.04 -0.45 2.29 3.84 -0.59 -4.83 116.67 121.38 3g5r s ASP 158 Ca -0.12 0.06 0.05 0.00 -0.00 0.00 0.00 52.55 52.54 3g5r s ASP 158 Cb -0.09 -1.74 0.18 0.00 -1.38 0.00 0.00 42.92 39.89 3g5r s ASP 158 CO -0.00 0.05 0.52 0.00 -0.00 0.00 0.00 175.17 175.73 3g5r s ALA 159 N -1.76 -0.40 -0.14 2.11 0.00 -1.25 -2.88 121.76 117.43 3g5r s ALA 159 Ca 0.33 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 3g5r s ALA 159 Cb -0.11 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3g5r s ALA 159 CO 0.27 -2.11 0.12 0.00 0.00 0.00 0.00 175.76 174.03 3g5r s ALA 160 N 0.61 3.74 0.37 0.00 0.00 -0.03 -4.76 121.76 121.69 3g5r s ALA 160 Ca 0.29 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 3g5r s ALA 160 Cb -0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3g5r s ALA 160 CO -0.11 0.47 0.62 -1.54 0.00 0.00 0.00 175.76 175.20 3g5r s SER 161 N -0.56 6.32 0.44 0.00 1.04 -1.26 -2.39 113.70 117.29 3g5r s SER 161 Ca 0.12 0.65 -0.25 0.00 0.48 0.00 0.00 55.95 56.95 3g5r s SER 161 Cb -0.12 -2.12 -0.08 0.00 0.10 0.00 0.00 66.02 63.80 3g5r s SER 161 CO 0.02 -0.35 1.35 -2.84 0.98 0.00 0.00 173.24 172.40 3g5r s PRO 162 N -4.25 3.76 -0.11 4.02 0.02 -1.26 -4.41 135.00 132.77 3g5r s PRO 162 Ca 0.43 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.72 3g5r s PRO 162 Cb -0.10 -2.65 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 3g5r s PRO 162 CO 0.37 -0.70 -0.16 0.42 -0.33 0.00 0.00 177.00 176.60 3g5r s ILE 163 N -1.25 2.80 0.26 2.83 1.01 0.12 -1.72 121.20 125.24 3g5r s ILE 163 Ca 0.60 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.59 3g5r s ILE 163 Cb -0.40 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 3g5r s ILE 163 CO 0.51 0.54 -0.05 0.68 0.00 0.00 0.00 174.94 176.62 3g5r s VAL 164 N 0.21 3.25 -0.12 2.92 -7.23 0.38 -0.66 120.40 119.15 3g5r s VAL 164 Ca -0.10 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 3g5r s VAL 164 Cb -0.16 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 3g5r s VAL 164 CO 0.06 -0.35 1.02 -0.22 -0.31 0.00 0.00 175.10 175.30 3g5r s LEU 165 N -3.56 4.23 0.27 1.32 2.96 -0.34 -1.64 118.68 121.92 3g5r s LEU 165 Ca 0.30 1.52 -0.01 0.00 -0.22 0.00 0.00 54.13 55.73 3g5r s LEU 165 Cb -0.06 -3.55 0.50 0.00 0.50 0.00 0.00 46.19 43.57 3g5r s LEU 165 CO 0.19 -0.49 1.81 0.22 -1.32 0.00 0.00 176.35 176.76 3g5r h TYR 166 N 7.17 0.97 0.00 5.38 3.20 -1.12 -0.15 116.97 132.43 3g5r h TYR 166 Ca -0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3g5r h TYR 166 Cb 1.13 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3g5r h TYR 166 CO 0.72 0.36 0.00 1.05 -1.64 0.00 0.00 178.16 178.65 3g5r h GLU 167 N 0.85 0.00 -0.01 1.82 4.11 -1.91 -1.81 114.58 117.62 3g5r h GLU 167 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 3g5r h GLU 167 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3g5r h GLU 167 CO -0.28 0.00 -0.12 -1.13 0.07 0.00 0.00 179.01 177.55 3g5r n SER 168 N -2.46 1.62 -4.76 3.06 3.41 -0.07 -4.89 113.62 109.53 3g5r n SER 168 Ca -0.00 -1.39 -0.40 0.00 -0.26 0.00 0.00 58.87 56.82 3g5r n SER 168 Cb 0.13 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3g5r n SER 168 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3g5r s ILE 169 N -2.20 4.56 -0.82 -1.33 1.01 -0.68 -3.81 121.20 117.94 3g5r s ILE 169 Ca 0.31 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.41 3g5r s ILE 169 Cb 0.20 -4.14 0.06 0.00 0.01 0.00 0.00 42.46 38.60 3g5r s ILE 169 CO 0.41 0.43 1.21 -0.62 0.00 0.00 0.00 174.94 176.36 3g5r s ASP 170 N -0.52 6.32 0.17 3.58 -1.08 0.15 -4.88 116.67 120.42 3g5r s ASP 170 Ca 0.38 -1.11 0.22 0.00 -0.52 0.00 0.00 52.55 51.51 3g5r s ASP 170 Cb -0.22 -2.49 0.89 0.00 -1.46 0.00 0.00 42.92 39.63 3g5r s ASP 170 CO 0.25 -1.52 1.67 0.18 0.52 0.00 0.00 175.17 176.27 3g5r n LEU 171 N 8.31 0.48 0.05 -1.34 4.77 -1.26 -2.23 117.00 125.78 3g5r n LEU 171 Ca 0.12 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.78 3g5r n LEU 171 Cb 0.48 -0.52 0.34 0.00 -2.33 0.00 0.00 43.42 41.40 3g5r n LEU 171 CO 0.64 -0.40 0.74 0.35 -1.33 0.00 0.00 177.39 177.39 3g5r n THR 172 N -2.02 1.09 0.18 -5.08 -2.24 -1.26 -2.16 114.28 102.80 3g5r n THR 172 Ca 0.03 0.32 0.07 0.00 -2.27 0.00 0.00 64.05 62.20 3g5r n THR 172 Cb 0.25 -1.18 0.12 0.00 -2.10 0.00 0.00 70.33 67.42 3g5r n THR 172 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3g5r n LYS 173 N -1.78 1.82 -4.48 -0.78 5.02 -0.95 -5.01 118.16 112.01 3g5r n LYS 173 Ca 0.02 -1.72 -0.23 0.00 -2.02 0.00 0.00 58.31 54.36 3g5r n LYS 173 Cb 0.15 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 3g5r n LYS 173 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5r s PHE 175 N -2.89 0.10 -0.18 0.00 -0.71 -0.39 -4.95 117.98 108.96 3g5r s PHE 175 Ca 0.31 -0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 55.83 3g5r s PHE 175 Cb 0.04 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 3g5r s PHE 175 CO 0.14 -0.20 0.39 0.50 -1.34 0.00 0.00 175.22 174.70 3g5r s ARG 176 N -1.13 4.21 -0.09 1.99 3.52 -1.26 -0.14 118.95 126.05 3g5r s ARG 176 Ca -0.12 0.21 -0.32 0.00 -0.13 0.00 0.00 55.73 55.36 3g5r s ARG 176 Cb -0.07 -3.51 0.13 0.00 -1.56 0.00 0.00 34.95 29.94 3g5r s ARG 176 CO 0.00 0.03 1.30 0.00 -0.81 0.00 0.00 175.30 175.83 3g5r s ALA 177 N 1.08 -2.25 0.07 6.12 0.00 -0.43 -4.96 121.76 121.40 3g5r s ALA 177 Ca 0.19 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.22 3g5r s ALA 177 Cb -0.14 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3g5r s ALA 177 CO 0.07 -0.92 -0.13 0.20 0.00 0.00 0.00 175.76 174.99 3g5r s GLY 178 N -2.75 0.82 0.94 0.00 0.00 -1.24 -3.13 107.32 101.97 3g5r s GLY 178 Ca 0.13 -1.01 -0.16 0.00 0.00 0.00 0.00 44.72 43.68 3g5r s GLY 178 CO -0.04 -1.05 1.16 0.54 0.00 0.00 0.00 173.10 173.70 3g5r n ARG 179 N 1.15 -1.60 -1.77 2.90 1.74 -1.26 -4.81 116.66 113.02 3g5r n ARG 179 Ca -0.20 -1.80 -0.42 0.00 -0.77 0.00 0.00 57.85 54.66 3g5r n ARG 179 Cb 0.55 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 3g5r n ARG 179 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3g5r s TYR 180 N -3.44 1.84 0.00 -1.55 6.14 -1.26 -1.57 117.35 117.50 3g5r s TYR 180 Ca 0.67 -0.11 0.00 0.00 0.64 0.00 0.00 57.07 58.27 3g5r s TYR 180 Cb -0.03 -4.14 0.00 0.00 0.42 0.00 0.00 41.96 38.21 3g5r s TYR 180 CO 0.48 -4.85 0.00 0.41 0.64 0.00 0.00 175.55 172.23 3g5r n GLY 181 N 4.30 0.67 3.79 8.97 0.00 -1.26 -5.06 105.19 116.61 3g5r n GLY 181 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3g5r n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g5r s GLN 182 N -0.68 2.81 0.49 1.61 -0.21 -0.61 -5.10 119.66 117.97 3g5r s GLN 182 Ca 0.00 -1.13 -0.22 0.00 0.02 0.00 0.00 55.36 54.03 3g5r s GLN 182 Cb 0.00 -2.49 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 3g5r s GLN 182 CO 0.00 0.38 1.19 0.45 -2.12 0.00 0.00 175.29 175.20 3g5r s SER 183 N -3.82 5.90 0.00 5.90 0.15 -1.26 -4.67 113.70 115.90 3g5r s SER 183 Ca 0.33 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.34 3g5r s SER 183 Cb -0.07 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 3g5r s SER 183 CO 0.24 -1.11 0.70 0.00 1.20 0.00 0.00 173.24 174.27 3g5r n ALA 184 N -0.76 2.23 -0.22 5.45 0.00 -1.26 -3.58 120.51 122.36 3g5r n ALA 184 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.61 3g5r n ALA 184 Cb 0.48 -1.00 0.23 0.00 0.00 0.00 0.00 19.45 19.16 3g5r n ALA 184 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g5r n ASP 185 N -0.42 3.37 -4.80 0.00 8.00 -1.26 -3.12 116.55 118.32 3g5r n ASP 185 Ca 0.00 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.17 3g5r n ASP 185 Cb 0.02 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 3g5r n ASP 185 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g5r s TYR 186 N -1.02 3.22 -0.08 1.24 2.02 -1.18 -4.82 117.35 116.72 3g5r s TYR 186 Ca 0.35 1.62 -0.17 0.00 -0.37 0.00 0.00 57.07 58.50 3g5r s TYR 186 Cb 0.18 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 3g5r s TYR 186 CO 0.24 -0.51 0.43 -1.17 -1.57 0.00 0.00 175.55 172.98 3g5r s LEU 187 N -3.02 4.34 -0.13 -1.29 2.96 -0.48 -1.32 118.68 119.75 3g5r s LEU 187 Ca 0.62 0.83 0.02 0.00 -0.22 0.00 0.00 54.13 55.38 3g5r s LEU 187 Cb -0.17 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.90 3g5r s LEU 187 CO 0.21 0.12 -0.19 0.20 -1.32 0.00 0.00 176.35 175.37 3g5r s ASN 188 N 0.02 3.39 -0.50 3.68 0.01 0.80 -0.15 114.94 122.20 3g5r s ASN 188 Ca 0.24 -0.52 -0.08 0.00 -0.71 0.00 0.00 52.86 51.79 3g5r s ASN 188 Cb -0.15 -1.50 0.13 0.00 0.41 0.00 0.00 41.25 40.14 3g5r s ASN 188 CO 0.11 0.11 0.37 0.00 -1.51 0.00 0.00 177.10 176.17 3g5r s PRO 190 N 1.10 4.30 0.02 0.00 0.04 -1.26 -1.45 135.00 137.74 3g5r s PRO 190 Ca 0.08 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.74 3g5r s PRO 190 Cb -0.24 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3g5r s PRO 190 CO -0.02 -0.03 -0.15 -1.64 0.04 0.00 0.00 177.00 175.19 3g5r s MET 191 N -2.21 1.13 0.92 4.56 -1.94 0.28 -4.74 119.30 117.30 3g5r s MET 191 Ca 0.54 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.71 3g5r s MET 191 Cb -0.24 -1.13 0.15 0.00 2.01 0.00 0.00 34.83 35.61 3g5r s MET 191 CO 0.31 0.30 1.17 0.95 -0.01 0.00 0.00 175.02 177.73 3g5r s THR 192 N -0.60 1.97 0.24 2.05 -4.23 -1.26 -2.51 115.64 111.30 3g5r s THR 192 Ca 0.04 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 3g5r s THR 192 Cb -0.07 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.16 3g5r s THR 192 CO 0.00 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 175.85 3g5r h GLU 193 N -1.52 1.21 -0.44 3.99 4.81 -1.98 -0.59 114.58 120.07 3g5r h GLU 193 Ca -0.48 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.50 3g5r h GLU 193 Cb 1.32 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3g5r h GLU 193 CO 0.58 0.91 -0.08 1.49 -0.73 0.00 0.00 179.01 181.18 3g5r h GLU 194 N 1.21 0.82 -0.82 1.92 4.57 -1.99 -1.35 114.58 118.94 3g5r h GLU 194 Ca 0.30 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3g5r h GLU 194 Cb 0.07 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3g5r h GLU 194 CO -0.04 0.93 0.51 0.93 -1.18 0.00 0.00 179.01 180.15 3g5r h GLU 195 N 0.65 1.10 -0.58 1.92 5.08 -1.83 -2.45 114.58 118.49 3g5r h GLU 195 Ca 0.11 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3g5r h GLU 195 Cb 0.61 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3g5r h GLU 195 CO 0.04 0.77 0.23 -0.92 -1.00 0.00 0.00 179.01 178.12 3g5r h TYR 196 N 1.12 0.88 -0.53 4.33 3.20 -0.93 -1.08 116.97 123.97 3g5r h TYR 196 Ca 0.30 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.20 3g5r h TYR 196 Cb -0.06 -0.26 -0.08 0.00 1.54 0.00 0.00 36.73 37.86 3g5r h TYR 196 CO -0.01 0.71 0.07 -0.09 -1.64 0.00 0.00 178.16 177.21 3g5r h ARG 197 N 0.80 0.19 -0.26 1.82 2.43 -0.88 0.22 114.38 118.70 3g5r h ARG 197 Ca 0.19 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 3g5r h ARG 197 Cb 0.21 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3g5r h ARG 197 CO -0.02 0.13 -0.56 0.00 -1.51 0.00 0.00 179.97 178.01 3g5r h ARG 198 N 0.20 0.81 -0.39 0.20 3.08 -1.23 -2.76 114.38 114.29 3g5r h ARG 198 Ca 0.27 -0.52 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3g5r h ARG 198 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3g5r h ARG 198 CO -0.38 1.15 0.08 0.35 -1.07 0.00 0.00 179.97 180.10 3g5r h PHE 199 N 0.62 0.67 -0.36 3.04 3.57 -0.62 -0.98 116.94 122.88 3g5r h PHE 199 Ca 0.01 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.44 3g5r h PHE 199 Cb 1.16 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 3g5r h PHE 199 CO 0.07 0.65 0.20 1.25 -2.23 0.00 0.00 178.31 178.25 3g5r h HIS 200 N 0.49 0.38 -0.60 0.41 2.76 -0.58 -1.25 115.15 116.75 3g5r h HIS 200 Ca 0.12 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 3g5r h HIS 200 Cb 0.33 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 3g5r h HIS 200 CO 0.02 0.21 0.17 0.37 -1.30 0.00 0.00 177.93 177.41 3g5r h GLN 201 N 0.41 0.92 -0.83 5.26 5.75 -1.33 -2.34 115.11 122.95 3g5r h GLN 201 Ca 0.15 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3g5r h GLN 201 Cb 0.02 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3g5r h GLN 201 CO -0.08 0.81 0.42 0.00 -2.65 0.00 0.00 178.83 177.33 3g5r h ALA 202 N 1.30 1.07 -0.77 3.38 0.00 -0.66 -1.54 119.26 122.04 3g5r h ALA 202 Ca 0.20 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3g5r h ALA 202 Cb 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3g5r h ALA 202 CO -0.01 0.61 0.51 -0.07 0.00 0.00 0.00 179.25 180.29 3g5r h LEU 203 N 1.17 0.88 -0.87 0.00 3.38 -0.84 -1.26 115.31 117.77 3g5r h LEU 203 Ca 0.29 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 3g5r h LEU 203 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3g5r h LEU 203 CO -0.04 0.64 -0.02 -0.07 0.09 0.00 0.00 178.44 179.03 3g5r h LEU 204 N 1.04 0.79 0.00 1.67 4.07 -0.90 -2.91 115.31 119.06 3g5r h LEU 204 Ca 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3g5r h LEU 204 Cb -0.12 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.41 3g5r h LEU 204 CO -0.06 0.87 -0.21 -0.62 -1.08 0.00 0.00 178.44 177.33 3g5r n GLU 205 N -4.20 0.24 0.00 1.13 1.02 -0.63 -5.07 120.64 113.12 3g5r n GLU 205 Ca 0.02 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3g5r n GLU 205 Cb 0.32 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3g5r n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g5r n ALA 206 N -1.76 0.00 -0.42 0.62 0.00 -0.50 -5.09 120.51 113.36 3g5r n ALA 206 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3g5r n ALA 206 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3g5r n ALA 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5r s VAL 224 N -1.71 5.22 0.53 0.00 1.01 -1.26 -5.07 120.40 119.12 3g5r s VAL 224 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 3g5r s VAL 224 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3g5r s VAL 224 CO 0.00 0.46 1.38 -2.84 0.00 0.00 0.00 175.10 174.10 3g5r s PRO 225 N 0.26 3.20 0.39 2.72 0.02 -1.26 -4.80 135.00 135.52 3g5r s PRO 225 Ca 0.07 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.45 3g5r s PRO 225 Cb -0.11 -2.32 0.81 0.00 0.02 0.00 0.00 34.50 32.89 3g5r s PRO 225 CO -0.01 -1.17 2.02 -0.24 -0.33 0.00 0.00 177.00 177.28 3g5r h VAL 226 N 1.57 1.08 0.00 3.83 3.04 -1.20 -0.84 116.25 123.73 3g5r h VAL 226 Ca -0.51 -0.22 -0.08 0.00 -1.01 0.00 0.00 66.70 64.88 3g5r h VAL 226 Cb 1.30 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3g5r h VAL 226 CO 0.58 0.12 -0.38 1.05 -1.01 0.00 0.00 177.57 177.93 3g5r h GLU 227 N 0.65 0.00 0.02 4.17 9.09 -1.90 -1.53 114.58 125.07 3g5r h GLU 227 Ca 0.21 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.35 3g5r h GLU 227 Cb 0.06 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.18 3g5r h GLU 227 CO -0.05 0.38 -1.07 1.49 0.05 0.00 0.00 179.01 179.80 3g5r h GLU 228 N 0.00 0.66 -0.61 1.06 4.57 -1.55 -2.58 114.58 116.13 3g5r h GLU 228 Ca -0.00 -0.74 0.04 0.00 -1.18 0.00 0.00 59.36 57.48 3g5r h GLU 228 Cb 0.70 0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 29.46 3g5r h GLU 228 CO 0.05 1.32 0.35 -0.07 -1.18 0.00 0.00 179.01 179.48 3g5r h LEU 229 N 0.36 0.54 -1.03 1.64 3.38 -1.02 -1.94 115.31 117.25 3g5r h LEU 229 Ca -0.14 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3g5r h LEU 229 Cb 1.72 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 3g5r h LEU 229 CO 0.21 0.37 0.65 0.00 0.09 0.00 0.00 178.44 179.76 3g5r h ALA 230 N 1.30 1.35 0.00 1.53 0.00 -1.29 -1.94 119.26 120.21 3g5r h ALA 230 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3g5r h ALA 230 Cb 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3g5r h ALA 230 CO -0.14 0.56 -0.17 -0.09 0.00 0.00 0.00 179.25 179.41 3g5r h ARG 231 N 1.27 0.00 0.00 0.00 2.43 -0.95 -3.01 114.38 114.13 3g5r h ARG 231 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3g5r h ARG 231 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3g5r h ARG 231 CO -0.12 0.17 -0.04 0.00 -1.51 0.00 0.00 179.97 178.47 3g5r h ARG 232 N 0.00 0.00 0.00 0.20 3.08 -0.87 -3.47 114.38 113.32 3g5r h ARG 232 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g5r h ARG 232 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3g5r h ARG 232 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 3g5r n GLY 233 N 1.25 1.16 0.29 0.04 0.00 -1.14 -5.01 105.19 101.79 3g5r n GLY 233 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3g5r n GLY 233 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g5r h TYR 234 N 0.00 0.69 -0.01 1.61 5.03 -1.91 -3.05 116.97 119.33 3g5r h TYR 234 Ca 0.00 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.25 3g5r h TYR 234 Cb 0.00 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.08 3g5r h TYR 234 CO 0.00 0.62 -0.33 1.04 -1.32 0.00 0.00 178.16 178.17 3g5r n GLN 235 N -4.28 0.80 -0.30 1.82 1.13 -1.26 -4.47 117.38 110.82 3g5r n GLN 235 Ca 0.03 -0.51 -0.04 0.00 -1.94 0.00 0.00 57.00 54.53 3g5r n GLN 235 Cb 0.23 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.16 3g5r n GLN 235 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3g5r h THR 236 N 1.25 1.23 0.00 5.09 1.35 -1.83 -1.07 112.91 118.92 3g5r h THR 236 Ca 0.00 -0.55 -0.10 0.00 -0.55 0.00 0.00 66.41 65.21 3g5r h THR 236 Cb 0.54 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 3g5r h THR 236 CO 0.00 0.25 -0.46 -0.07 -0.25 0.00 0.00 175.52 174.99 3g5r h LEU 237 N 1.13 0.00 -0.85 3.87 3.38 -1.81 -2.13 115.31 118.90 3g5r h LEU 237 Ca 0.29 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3g5r h LEU 237 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3g5r h LEU 237 CO -0.05 0.46 -0.43 -0.07 0.09 0.00 0.00 178.44 178.44 3g5r h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.50 0.67 115.31 119.53 3g5r h LEU 238 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3g5r h LEU 238 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3g5r h LEU 238 CO 0.06 0.43 -0.63 -0.26 0.09 0.00 0.00 178.44 178.13 3g5r h PHE 239 N 0.00 0.00 0.00 1.13 0.04 -1.17 -3.20 116.94 113.75 3g5r h PHE 239 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3g5r h PHE 239 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 3g5r h PHE 239 CO 0.00 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 3g5r n GLY 240 N 1.24 0.51 0.28 -1.45 0.00 -0.81 -4.75 105.19 100.21 3g5r n GLY 240 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 3g5r n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g5r h PRO 241 N 0.00 0.00 -0.62 1.61 0.13 -1.80 -2.32 132.00 129.00 3g5r h PRO 241 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3g5r h PRO 241 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3g5r h PRO 241 CO 0.00 0.06 0.00 -1.33 -0.23 0.00 0.00 178.00 176.50 3g5r n MET 242 N -3.32 2.98 -1.68 0.86 2.81 0.18 -4.41 117.12 114.54 3g5r n MET 242 Ca -0.01 -2.58 -0.46 0.00 -1.81 0.00 0.00 57.70 52.84 3g5r n MET 242 Cb 0.24 -1.58 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 3g5r n MET 242 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3g5r n LYS 243 N 1.22 2.37 0.00 0.03 4.81 -0.88 -1.63 118.16 124.08 3g5r n LYS 243 Ca 0.22 0.86 0.12 0.00 -0.87 0.00 0.00 58.31 58.64 3g5r n LYS 243 Cb 0.64 -2.70 0.17 0.00 0.02 0.00 0.00 35.03 33.17 3g5r n LYS 243 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3g5r n PRO 244 N 5.33 0.60 -1.77 1.64 -0.04 -1.26 -4.65 135.00 134.84 3g5r n PRO 244 Ca 0.19 -0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 3g5r n PRO 244 Cb 0.32 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 3g5r n PRO 244 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3g5r s VAL 245 N -2.69 2.10 0.00 0.52 0.11 -1.26 -1.89 120.40 117.29 3g5r s VAL 245 Ca 0.17 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 3g5r s VAL 245 Cb 0.18 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 3g5r s VAL 245 CO 0.63 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.02 3g5r n GLY 246 N 2.99 0.76 3.62 6.54 0.00 -1.26 -4.66 105.19 113.17 3g5r n GLY 246 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3g5r n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5r s LEU 247 N 0.00 3.26 -0.13 0.99 1.43 -0.79 -4.63 118.68 118.82 3g5r s LEU 247 Ca 0.00 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3g5r s LEU 247 Cb 0.00 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3g5r s LEU 247 CO 0.00 0.30 -0.13 -0.69 0.23 0.00 0.00 176.35 176.06 3g5r s VAL 248 N -0.97 1.47 -0.26 -1.59 1.01 -1.26 -4.01 120.40 114.79 3g5r s VAL 248 Ca 0.16 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3g5r s VAL 248 Cb -0.11 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3g5r s VAL 248 CO 0.07 0.44 1.36 -0.62 0.00 0.00 0.00 175.10 176.35 3g5r s ASP 249 N 1.37 6.66 0.54 3.32 -1.08 -0.36 -4.89 116.67 122.23 3g5r s ASP 249 Ca 0.02 1.39 0.22 0.00 -0.52 0.00 0.00 52.55 53.65 3g5r s ASP 249 Cb -0.13 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.20 3g5r s ASP 249 CO -0.08 -1.06 2.11 -0.65 0.52 0.00 0.00 175.17 176.01 3g5r h PRO 250 N 9.40 0.00 -0.19 4.34 0.11 -1.96 0.68 132.00 144.39 3g5r h PRO 250 Ca -0.28 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 3g5r h PRO 250 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3g5r h PRO 250 CO 1.01 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 178.49 3g5r h ARG 251 N 0.00 0.37 0.00 1.05 2.47 -1.95 -3.31 114.38 113.01 3g5r h ARG 251 Ca 0.08 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3g5r h ARG 251 Cb 0.35 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3g5r h ARG 251 CO -0.00 0.65 -0.74 0.25 0.56 0.00 0.00 179.97 180.69 3g5r n THR 252 N -4.09 0.00 -1.10 2.04 -2.24 -0.64 -4.99 114.28 103.26 3g5r n THR 252 Ca -0.01 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3g5r n THR 252 Cb 0.43 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 3g5r n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g5r n GLY 253 N 1.72 0.54 3.31 3.38 0.00 0.23 -4.99 105.19 109.37 3g5r n GLY 253 Ca -0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 3g5r n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5r s LYS 254 N -1.62 1.22 0.27 1.61 1.02 -1.22 -4.85 119.74 116.16 3g5r s LYS 254 Ca 0.00 -1.46 -0.31 0.00 0.02 0.00 0.00 55.97 54.22 3g5r s LYS 254 Cb 0.00 -1.05 -0.11 0.00 -0.52 0.00 0.00 37.83 36.15 3g5r s LYS 254 CO 0.00 0.18 1.62 -2.00 -0.92 0.00 0.00 175.35 174.24 3g5r s GLU 255 N -3.29 4.13 0.77 1.68 2.12 -1.26 -1.22 118.70 121.63 3g5r s GLU 255 Ca 0.18 2.57 -0.11 0.00 0.36 0.00 0.00 54.97 57.96 3g5r s GLU 255 Cb -0.02 -3.04 0.05 0.00 0.26 0.00 0.00 34.13 31.38 3g5r s GLU 255 CO 0.05 -0.66 1.08 -2.14 -0.54 0.00 0.00 175.26 173.06 3g5r s PRO 256 N -0.01 2.31 0.20 4.30 0.02 -1.26 -4.90 135.00 135.65 3g5r s PRO 256 Ca 0.66 0.82 -0.08 0.00 0.02 0.00 0.00 61.00 62.43 3g5r s PRO 256 Cb -0.48 -1.93 0.11 0.00 0.02 0.00 0.00 34.50 32.22 3g5r s PRO 256 CO 0.43 -1.51 1.66 0.35 -0.33 0.00 0.00 177.00 177.60 3g5r h PHE 257 N -1.02 1.12 -3.24 6.54 3.57 -1.89 -3.44 116.94 118.58 3g5r h PHE 257 Ca -0.46 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 60.83 3g5r h PHE 257 Cb 1.25 -0.30 -0.11 0.00 2.79 0.00 0.00 35.95 39.59 3g5r h PHE 257 CO 0.53 0.99 0.06 0.00 -2.23 0.00 0.00 178.31 177.66 3g5r s ALA 258 N -5.02 -1.09 0.07 2.41 0.00 -1.04 -4.62 121.76 112.47 3g5r s ALA 258 Ca -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3g5r s ALA 258 Cb 0.14 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 3g5r s ALA 258 CO 0.85 -0.79 -0.05 0.14 0.00 0.00 0.00 175.76 175.91 3g5r s VAL 259 N -3.84 0.46 -0.17 0.00 -7.23 -0.65 -0.55 120.40 108.43 3g5r s VAL 259 Ca 0.07 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 3g5r s VAL 259 Cb -0.01 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 3g5r s VAL 259 CO -0.06 -0.89 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.09 3g5r s VAL 260 N -3.58 3.53 0.03 1.32 1.01 -0.53 -4.08 120.40 118.10 3g5r s VAL 260 Ca 0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 3g5r s VAL 260 Cb 0.05 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3g5r s VAL 260 CO -0.07 0.48 0.26 -1.10 0.00 0.00 0.00 175.10 174.67 3g5r s GLN 261 N 0.66 3.54 0.03 2.72 -0.21 -1.26 -0.53 119.66 124.61 3g5r s GLN 261 Ca -0.04 -0.17 0.08 0.00 0.02 0.00 0.00 55.36 55.25 3g5r s GLN 261 Cb -0.15 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 3g5r s GLN 261 CO 0.02 0.63 -0.23 -0.51 -2.12 0.00 0.00 175.29 173.07 3g5r s LEU 262 N -2.01 2.15 0.05 2.90 1.02 0.79 -0.83 118.68 122.76 3g5r s LEU 262 Ca 0.30 -0.53 0.07 0.00 0.02 0.00 0.00 54.13 53.98 3g5r s LEU 262 Cb -0.13 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 44.92 3g5r s LEU 262 CO 0.19 0.22 -0.18 0.00 0.02 0.00 0.00 176.35 176.60 3g5r s ARG 263 N -1.10 1.18 0.02 1.70 1.70 -0.37 -1.38 118.95 120.70 3g5r s ARG 263 Ca 0.09 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.13 3g5r s ARG 263 Cb -0.09 -1.28 -0.05 0.00 -0.57 0.00 0.00 34.95 32.95 3g5r s ARG 263 CO 0.01 0.32 1.23 -1.14 -1.08 0.00 0.00 175.30 174.64 3g5r s GLN 264 N -1.31 4.39 -0.23 3.89 0.74 -1.26 -1.06 119.66 124.81 3g5r s GLN 264 Ca 0.05 1.76 -0.01 0.00 0.05 0.00 0.00 55.36 57.21 3g5r s GLN 264 Cb -0.09 -3.44 -0.14 0.00 1.10 0.00 0.00 33.01 30.44 3g5r s GLN 264 CO 0.02 -0.36 -0.23 0.39 -0.55 0.00 0.00 175.29 174.56 3g5r n GLU 265 N 4.53 0.57 -3.44 1.67 -0.58 0.05 -4.73 120.64 118.71 3g5r n GLU 265 Ca 0.10 0.15 -0.27 0.00 -0.42 0.00 0.00 57.16 56.72 3g5r n GLU 265 Cb 0.46 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 3g5r n GLU 265 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 3g5r s ASP 266 N -6.44 6.40 0.25 1.62 -4.77 -1.22 -0.42 116.67 112.07 3g5r s ASP 266 Ca -0.32 0.57 -0.06 0.00 -3.30 0.00 0.00 52.55 49.45 3g5r s ASP 266 Cb 0.09 -2.08 0.30 0.00 -1.09 0.00 0.00 42.92 40.14 3g5r s ASP 266 CO 0.51 -0.18 1.89 0.50 0.70 0.00 0.00 175.17 178.59 3g5r h LYS 267 N 1.57 1.12 0.00 2.11 3.64 -1.95 -2.53 116.57 120.53 3g5r h LYS 267 Ca -0.48 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3g5r h LYS 267 Cb 1.20 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3g5r h LYS 267 CO 0.66 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 178.58 3g5r h ALA 268 N 1.39 1.00 -0.06 5.00 0.00 -1.94 -3.47 119.26 121.18 3g5r h ALA 268 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3g5r h ALA 268 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3g5r h ALA 268 CO -0.13 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.51 3g5r n GLY 269 N 0.58 0.48 0.09 0.00 0.00 -0.95 -4.92 105.19 100.47 3g5r n GLY 269 Ca 0.03 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.25 3g5r n GLY 269 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g5r h ARG 270 N 0.09 0.00 -4.19 1.61 3.08 -1.88 -3.43 114.38 109.67 3g5r h ARG 270 Ca -0.03 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.47 3g5r h ARG 270 Cb 0.09 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.76 3g5r h ARG 270 CO 0.04 0.00 -0.79 -1.64 -1.07 0.00 0.00 179.97 176.50 3g5r s MET 271 N -3.14 1.47 -0.07 0.04 -1.94 -1.26 -0.59 119.30 113.81 3g5r s MET 271 Ca 0.08 -0.53 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 3g5r s MET 271 Cb 0.12 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.95 3g5r s MET 271 CO 0.66 -0.43 -0.17 -1.58 -0.01 0.00 0.00 175.02 173.50 3g5r s TRP 272 N 1.62 1.85 0.17 -0.03 0.52 -0.65 -0.77 118.94 121.64 3g5r s TRP 272 Ca 0.01 -0.67 0.02 0.00 0.02 0.00 0.00 56.10 55.48 3g5r s TRP 272 Cb -0.15 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 3g5r s TRP 272 CO -0.08 -0.29 0.30 -1.54 0.02 0.00 0.00 176.95 175.37 3g5r s SER 273 N 0.40 6.34 -0.31 2.95 1.04 -0.22 -0.47 113.70 123.42 3g5r s SER 273 Ca -0.13 0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.22 3g5r s SER 273 Cb -0.15 -1.91 0.01 0.00 0.10 0.00 0.00 66.02 64.06 3g5r s SER 273 CO 0.05 0.03 0.92 -0.76 0.98 0.00 0.00 173.24 174.46 3g5r s LEU 274 N -3.33 4.02 0.00 2.42 1.02 -0.70 -1.24 118.68 120.87 3g5r s LEU 274 Ca 0.35 0.84 -0.30 0.00 0.02 0.00 0.00 54.13 55.04 3g5r s LEU 274 Cb -0.11 -3.30 -0.06 0.00 0.02 0.00 0.00 46.19 42.74 3g5r s LEU 274 CO 0.29 -0.74 1.51 -0.69 0.02 0.00 0.00 176.35 176.74 3g5r s VAL 275 N 3.28 3.52 -0.18 -1.59 1.01 -0.01 -2.56 120.40 123.87 3g5r s VAL 275 Ca 0.38 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3g5r s VAL 275 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3g5r s VAL 275 CO 0.14 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3g5r n GLY 276 N 3.83 0.53 1.88 4.51 0.00 -1.26 -4.70 105.19 109.98 3g5r n GLY 276 Ca 0.15 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 3g5r n GLY 276 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g5r n PHE 277 N -2.91 2.41 -1.69 1.61 3.01 -1.06 -4.71 117.46 114.12 3g5r n PHE 277 Ca -0.02 -2.06 -0.43 0.00 1.01 0.00 0.00 57.45 55.95 3g5r n PHE 277 Cb 0.08 -0.85 -0.01 0.00 -0.01 0.00 0.00 39.48 38.69 3g5r n PHE 277 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g5r n GLN 278 N -1.05 2.15 -3.62 -1.08 0.00 -1.26 -4.33 117.38 108.19 3g5r n GLN 278 Ca 0.50 0.76 -0.14 0.00 0.00 0.00 0.00 57.00 58.12 3g5r n GLN 278 Cb 1.18 -2.38 -0.06 0.00 0.00 0.00 0.00 30.24 28.98 3g5r n GLN 278 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 3g5r s THR 279 N -0.68 0.04 -0.60 -0.39 -1.32 -1.23 -0.71 115.64 110.75 3g5r s THR 279 Ca 0.60 -0.31 0.10 0.00 -1.21 0.00 0.00 61.69 60.88 3g5r s THR 279 Cb -0.59 -0.93 0.30 0.00 -1.51 0.00 0.00 72.50 69.77 3g5r s THR 279 CO 0.57 -0.17 1.24 0.61 -2.21 0.00 0.00 174.62 174.67 3g5r n GLY 280 N 0.58 3.14 3.76 6.08 0.00 -1.26 -2.90 105.19 114.59 3g5r n GLY 280 Ca -0.19 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3g5r n GLY 280 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5r s LEU 281 N -1.43 3.64 0.56 0.99 1.43 -1.26 -4.96 118.68 117.65 3g5r s LEU 281 Ca 0.23 2.24 -0.21 0.00 -1.03 0.00 0.00 54.13 55.36 3g5r s LEU 281 Cb 0.15 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 3g5r s LEU 281 CO 0.11 -1.48 1.35 0.29 0.23 0.00 0.00 176.35 176.86 3g5r n LYS 282 N -1.65 1.61 -0.33 1.70 5.02 -1.26 -4.76 118.16 118.49 3g5r n LYS 282 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 3g5r n LYS 282 Cb 0.51 -2.57 0.13 0.00 -0.02 0.00 0.00 35.03 33.08 3g5r n LYS 282 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 3g5r h TRP 283 N 1.30 1.08 -0.54 2.13 4.06 -1.93 -0.99 115.95 121.06 3g5r h TRP 283 Ca -0.51 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.46 3g5r h TRP 283 Cb 1.31 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 29.09 3g5r h TRP 283 CO 0.45 0.59 0.29 -1.35 -3.56 0.00 0.00 178.44 174.85 3g5r h PRO 284 N 1.09 0.74 -0.44 0.49 0.11 -2.00 -1.24 132.00 130.75 3g5r h PRO 284 Ca 0.37 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.29 3g5r h PRO 284 Cb 0.08 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3g5r h PRO 284 CO -0.14 0.55 -0.20 0.93 -0.21 0.00 0.00 178.00 178.92 3g5r h GLU 285 N 0.75 0.87 -0.39 1.05 4.39 -1.58 -2.30 114.58 117.37 3g5r h GLU 285 Ca 0.19 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3g5r h GLU 285 Cb 0.03 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3g5r h GLU 285 CO -0.03 1.00 0.21 1.96 -1.16 0.00 0.00 179.01 180.99 3g5r h GLN 286 N 0.76 0.54 -0.41 2.33 4.20 -0.63 -1.55 115.11 120.36 3g5r h GLN 286 Ca 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3g5r h GLN 286 Cb 0.74 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3g5r h GLN 286 CO 0.06 0.44 0.25 -0.22 -0.67 0.00 0.00 178.83 178.69 3g5r h LYS 287 N 0.50 0.56 -0.75 1.46 3.64 -1.15 0.08 116.57 120.91 3g5r h LYS 287 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3g5r h LYS 287 Cb 0.06 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3g5r h LYS 287 CO -0.02 0.42 0.43 -0.09 -2.27 0.00 0.00 179.45 177.92 3g5r h ARG 288 N 0.54 1.03 -0.16 1.90 2.43 -1.24 -2.04 114.38 116.83 3g5r h ARG 288 Ca 0.15 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3g5r h ARG 288 Cb 0.01 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3g5r h ARG 288 CO -0.03 0.74 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.97 3g5r h LEU 289 N 1.03 0.40 -1.19 3.80 3.38 -1.01 -3.15 115.31 118.56 3g5r h LEU 289 Ca 0.27 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3g5r h LEU 289 Cb -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3g5r h LEU 289 CO -0.05 0.78 0.56 0.40 0.09 0.00 0.00 178.44 180.22 3g5r h ILE 290 N 0.03 1.14 0.00 1.22 2.04 -0.86 -1.53 117.51 119.56 3g5r h ILE 290 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3g5r h ILE 290 Cb 0.66 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3g5r h ILE 290 CO 0.04 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.38 3g5r n GLN 291 N -4.44 0.92 0.18 2.37 6.02 -0.78 -1.67 117.38 119.97 3g5r n GLN 291 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 3g5r n GLN 291 Cb 0.10 -1.46 0.13 0.00 1.02 0.00 0.00 30.24 30.04 3g5r n GLN 291 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3g5r h MET 292 N 0.00 0.00 -6.38 -1.09 2.86 -1.27 -3.35 114.93 105.70 3g5r h MET 292 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 3g5r h MET 292 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3g5r h MET 292 CO 0.00 0.00 0.46 0.42 1.06 0.00 0.00 176.91 178.85 3g5r s ILE 293 N -3.25 4.70 0.09 -1.22 1.01 -0.67 -4.96 121.20 116.90 3g5r s ILE 293 Ca 0.05 1.95 -0.35 0.00 0.00 0.00 0.00 60.65 62.30 3g5r s ILE 293 Cb 0.07 -4.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 3g5r s ILE 293 CO 0.70 0.11 1.57 -2.65 0.00 0.00 0.00 174.94 174.67 3g5r n PRO 294 N 4.21 1.87 0.00 2.79 -0.02 -1.26 -0.47 135.00 142.12 3g5r n PRO 294 Ca 0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3g5r n PRO 294 Cb 0.50 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3g5r n PRO 294 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g5r n GLY 295 N 3.36 3.22 0.97 -1.23 0.00 -1.26 -4.78 105.19 105.46 3g5r n GLY 295 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3g5r n GLY 295 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g5r n LEU 296 N 0.00 3.77 0.21 0.99 4.77 0.38 -0.67 117.00 126.44 3g5r n LEU 296 Ca 0.00 -2.52 0.13 0.00 -0.03 0.00 0.00 56.01 53.58 3g5r n LEU 296 Cb 0.00 -0.44 0.72 0.00 -2.33 0.00 0.00 43.42 41.37 3g5r n LEU 296 CO 0.00 0.72 1.11 -0.33 -1.33 0.00 0.00 177.39 177.57 3g5r h GLU 297 N 2.42 0.00 0.00 3.23 3.07 -1.70 -1.44 114.58 120.17 3g5r h GLU 297 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3g5r h GLU 297 Cb 1.20 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 3g5r h GLU 297 CO 0.15 0.00 -0.42 0.09 -1.40 0.00 0.00 179.01 177.43 3g5r n ASN 298 N -4.30 1.69 -4.77 1.42 3.02 -1.26 -4.83 115.26 106.22 3g5r n ASN 298 Ca 0.00 -3.29 -0.40 0.00 -0.03 0.00 0.00 54.58 50.86 3g5r n ASN 298 Cb 0.22 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3g5r n ASN 298 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g5r s ALA 299 N -2.49 3.40 -0.35 5.41 0.00 -0.54 -4.86 121.76 122.32 3g5r s ALA 299 Ca 0.33 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.60 3g5r s ALA 299 Cb 0.32 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 3g5r s ALA 299 CO -0.05 -1.00 0.23 -2.00 0.00 0.00 0.00 175.76 172.94 3g5r s GLU 300 N -2.20 3.28 -0.18 0.00 2.12 -1.26 -5.01 118.70 115.45 3g5r s GLU 300 Ca 0.56 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 3g5r s GLU 300 Cb -0.43 -3.78 -0.00 0.00 0.26 0.00 0.00 34.13 30.18 3g5r s GLU 300 CO 0.57 -0.53 0.99 0.42 -0.54 0.00 0.00 175.26 176.17 3g5r s ILE 301 N 1.67 4.74 -0.34 -3.70 1.01 -1.26 -1.19 121.20 122.13 3g5r s ILE 301 Ca 0.05 1.96 0.18 0.00 0.00 0.00 0.00 60.65 62.85 3g5r s ILE 301 Cb -0.18 -4.28 -0.25 0.00 0.01 0.00 0.00 42.46 37.76 3g5r s ILE 301 CO 0.09 -0.09 0.54 1.33 0.00 0.00 0.00 174.94 176.81 3g5r n VAL 302 N 5.01 0.00 -3.53 2.92 0.24 0.17 -4.86 118.33 118.28 3g5r n VAL 302 Ca 0.10 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3g5r n VAL 302 Cb 0.47 0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 3g5r n VAL 302 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3g5r s ARG 303 N -3.06 0.23 0.51 7.34 3.00 -1.11 -4.75 118.95 121.12 3g5r s ARG 303 Ca -0.02 0.57 -0.18 0.00 -1.00 0.00 0.00 55.73 55.11 3g5r s ARG 303 Cb 0.13 -0.45 -0.08 0.00 0.00 0.00 0.00 34.95 34.55 3g5r s ARG 303 CO 0.76 -0.48 1.00 0.71 0.00 0.00 0.00 175.30 177.29 3g5r s TYR 304 N 2.45 3.25 0.50 5.12 2.02 -1.26 -0.70 117.35 128.72 3g5r s TYR 304 Ca 0.06 1.52 -0.22 0.00 -0.37 0.00 0.00 57.07 58.06 3g5r s TYR 304 Cb -0.14 -2.90 -0.06 0.00 -0.40 0.00 0.00 41.96 38.46 3g5r s TYR 304 CO -0.12 -0.57 1.17 0.20 -1.57 0.00 0.00 175.55 174.66 3g5r s GLY 305 N -2.67 2.74 0.10 0.71 0.00 -1.26 -4.74 107.32 102.21 3g5r s GLY 305 Ca 0.62 0.94 -0.13 0.00 0.00 0.00 0.00 44.72 46.15 3g5r s GLY 305 CO 0.28 1.37 0.31 -1.34 0.00 0.00 0.00 173.10 173.71 3g5r s VAL 306 N -1.59 0.10 -0.24 1.40 -7.23 -1.00 -4.79 120.40 107.04 3g5r s VAL 306 Ca 0.68 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 3g5r s VAL 306 Cb -0.28 -1.21 0.09 0.00 0.56 0.00 0.00 36.38 35.54 3g5r s VAL 306 CO 0.33 -0.46 0.16 -0.04 -0.31 0.00 0.00 175.10 174.79 3g5r s MET 307 N -3.69 0.18 0.06 4.82 -1.94 -1.23 -0.85 119.30 116.64 3g5r s MET 307 Ca 0.03 -0.23 0.03 0.00 -1.71 0.00 0.00 55.69 53.81 3g5r s MET 307 Cb 0.03 -1.27 -0.03 0.00 2.01 0.00 0.00 34.83 35.57 3g5r s MET 307 CO -0.11 -0.87 -0.09 -1.01 -0.01 0.00 0.00 175.02 172.93 3g5r s HIS 308 N 2.19 0.86 -0.03 -0.03 3.76 -1.14 -4.98 115.29 115.92 3g5r s HIS 308 Ca 0.07 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 54.13 3g5r s HIS 308 Cb -0.16 -0.50 -0.07 0.00 1.11 0.00 0.00 32.58 32.97 3g5r s HIS 308 CO -0.25 -0.05 1.86 0.50 -0.85 0.00 0.00 174.74 175.96 3g5r s ARG 309 N -2.01 4.06 -0.29 1.40 6.06 -1.26 -1.54 118.95 125.36 3g5r s ARG 309 Ca -0.04 2.38 -0.02 0.00 -2.50 0.00 0.00 55.73 55.55 3g5r s ARG 309 Cb -0.07 -4.11 0.19 0.00 0.06 0.00 0.00 34.95 31.01 3g5r s ARG 309 CO 0.00 -1.03 0.78 1.21 -2.50 0.00 0.00 175.30 173.77 3g5r s ASN 310 N 4.36 -1.12 -0.09 -2.12 2.47 -0.03 -4.91 114.94 113.51 3g5r s ASN 310 Ca 0.83 0.18 -0.30 0.00 0.42 0.00 0.00 52.86 53.99 3g5r s ASN 310 Cb -0.38 1.73 -0.02 0.00 -1.45 0.00 0.00 41.25 41.13 3g5r s ASN 310 CO 0.36 -0.21 1.13 -0.89 -3.72 0.00 0.00 177.10 173.78 3g5r s THR 311 N 2.88 4.45 0.12 -5.21 2.01 -0.15 -3.12 115.64 116.62 3g5r s THR 311 Ca 0.17 1.75 -0.17 0.00 0.31 0.00 0.00 61.69 63.75 3g5r s THR 311 Cb -0.07 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.35 3g5r s THR 311 CO -0.24 -0.02 0.43 -0.72 -0.69 0.00 0.00 174.62 173.39 3g5r s TYR 312 N 2.28 -0.26 0.27 4.92 1.13 -0.52 -4.12 117.35 121.04 3g5r s TYR 312 Ca 0.53 -0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 56.16 3g5r s TYR 312 Cb -0.22 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 3g5r s TYR 312 CO 0.19 -0.71 0.49 -0.51 -2.51 0.00 0.00 175.55 172.50 3g5r s LEU 313 N -2.71 4.11 -1.03 -3.49 1.43 -0.04 -1.11 118.68 115.83 3g5r s LEU 313 Ca 0.02 0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 53.41 3g5r s LEU 313 Cb 0.01 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3g5r s LEU 313 CO -0.11 -0.16 1.64 0.21 0.23 0.00 0.00 176.35 178.16 3g5r s ASN 314 N -3.40 6.10 0.20 2.29 3.84 -0.18 -4.50 114.94 119.29 3g5r s ASN 314 Ca 0.41 -1.38 -0.11 0.00 0.21 0.00 0.00 52.86 51.99 3g5r s ASN 314 Cb -0.10 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.22 3g5r s ASN 314 CO 0.31 -1.89 1.82 0.00 -2.79 0.00 0.00 177.10 174.55 3g5r h ALA 315 N 9.92 0.84 0.00 1.71 0.00 -1.80 -1.96 119.26 127.97 3g5r h ALA 315 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3g5r h ALA 315 Cb 0.99 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3g5r h ALA 315 CO 1.36 0.08 -0.07 -1.35 0.00 0.00 0.00 179.25 179.27 3g5r h PRO 316 N 0.71 0.00 0.00 0.00 0.11 -1.44 0.18 132.00 131.57 3g5r h PRO 316 Ca 0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 3g5r h PRO 316 Cb 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3g5r h PRO 316 CO -0.14 0.07 -0.69 0.00 -0.21 0.00 0.00 178.00 177.03 3g5r h ARG 317 N 0.00 0.00 0.00 1.05 2.47 -1.71 -3.42 114.38 112.77 3g5r h ARG 317 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3g5r h ARG 317 Cb 0.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3g5r h ARG 317 CO 0.01 0.10 -1.10 1.28 0.56 0.00 0.00 179.97 180.82 3g5r n LEU 318 N -2.90 0.15 -4.48 3.04 4.77 -0.79 -4.95 117.00 111.84 3g5r n LEU 318 Ca 0.00 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3g5r n LEU 318 Cb 0.61 0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 3g5r n LEU 318 CO 0.39 0.06 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.26 3g5r s LEU 319 N -4.16 2.68 0.74 2.23 1.43 0.58 -0.67 118.68 121.51 3g5r s LEU 319 Ca -0.01 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3g5r s LEU 319 Cb 0.00 -1.55 0.11 0.00 0.03 0.00 0.00 46.19 44.78 3g5r s LEU 319 CO 0.06 0.24 1.04 -0.83 0.23 0.00 0.00 176.35 177.09 3g5r s GLY 320 N -1.64 1.75 0.10 -3.19 0.00 -0.57 -4.53 107.32 99.25 3g5r s GLY 320 Ca 0.16 -1.29 0.16 0.00 0.00 0.00 0.00 44.72 43.74 3g5r s GLY 320 CO 0.07 -0.77 1.48 -1.84 0.00 0.00 0.00 173.10 172.04 3g5r n GLU 321 N -3.00 0.07 0.00 2.90 0.28 -1.26 -0.91 120.64 118.72 3g5r n GLU 321 Ca 0.12 0.37 0.14 0.00 -0.16 0.00 0.00 57.16 57.62 3g5r n GLU 321 Cb 0.60 -1.64 0.61 0.00 1.43 0.00 0.00 31.44 32.43 3g5r n GLU 321 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3g5r n THR 322 N -1.77 0.00 -0.89 3.84 -2.24 -1.26 -4.72 114.28 107.23 3g5r n THR 322 Ca 0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3g5r n THR 322 Cb 0.15 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3g5r n THR 322 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g5r n LEU 323 N -1.19 0.38 -4.74 3.22 4.77 -0.08 -4.62 117.00 114.73 3g5r n LEU 323 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 3g5r n LEU 323 Cb 0.29 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 3g5r n LEU 323 CO 0.25 -0.27 0.65 -0.70 -1.33 0.00 0.00 177.39 175.99 3g5r s GLU 324 N -0.54 4.75 0.23 3.23 2.12 -1.26 -2.01 118.70 125.22 3g5r s GLU 324 Ca 0.00 1.44 -0.31 0.00 0.36 0.00 0.00 54.97 56.46 3g5r s GLU 324 Cb 0.00 -3.33 -0.12 0.00 0.26 0.00 0.00 34.13 30.94 3g5r s GLU 324 CO 0.00 0.35 1.69 1.19 -0.54 0.00 0.00 175.26 177.95 3g5r n PHE 325 N 2.24 2.79 0.23 5.30 3.01 -0.02 -1.51 117.46 129.50 3g5r n PHE 325 Ca 0.00 0.10 0.06 0.00 1.01 0.00 0.00 57.45 58.62 3g5r n PHE 325 Cb 0.48 -2.66 0.53 0.00 -0.01 0.00 0.00 39.48 37.83 3g5r n PHE 325 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g5r h ARG 326 N 6.23 0.00 -0.17 -1.08 3.08 -1.22 -2.89 114.38 118.33 3g5r h ARG 326 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3g5r h ARG 326 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3g5r h ARG 326 CO 0.91 0.17 0.00 0.39 -1.07 0.00 0.00 179.97 180.38 3g5r n GLU 327 N -4.24 2.53 -3.42 0.04 -0.58 -1.26 -4.81 120.64 108.90 3g5r n GLU 327 Ca -0.02 -2.33 -0.25 0.00 -0.42 0.00 0.00 57.16 54.14 3g5r n GLU 327 Cb 0.24 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 3g5r n GLU 327 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3g5r s ALA 328 N -2.05 0.45 0.20 0.62 0.00 -1.09 -5.12 121.76 114.77 3g5r s ALA 328 Ca 0.27 -1.57 -0.32 0.00 0.00 0.00 0.00 51.96 50.34 3g5r s ALA 328 Cb 0.21 -1.77 -0.13 0.00 0.00 0.00 0.00 23.12 21.43 3g5r s ALA 328 CO 0.07 -2.12 1.55 -1.91 0.00 0.00 0.00 175.76 173.35 3g5r n GLU 329 N 4.06 2.26 -1.00 0.00 2.13 -1.26 -2.02 120.64 124.81 3g5r n GLU 329 Ca 0.12 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.76 3g5r n GLU 329 Cb 0.40 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3g5r n GLU 329 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g5r n GLY 330 N 3.00 0.52 3.52 8.31 0.00 -1.26 -4.98 105.19 114.30 3g5r n GLY 330 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3g5r n GLY 330 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g5r s LEU 331 N 0.00 3.13 0.13 0.99 2.96 -0.86 -1.31 118.68 123.73 3g5r s LEU 331 Ca 0.00 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3g5r s LEU 331 Cb 0.00 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3g5r s LEU 331 CO 0.00 0.26 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.88 3g5r s TYR 332 N -0.19 1.22 0.06 5.38 1.51 -0.21 -0.84 117.35 124.28 3g5r s TYR 332 Ca 0.02 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 55.43 3g5r s TYR 332 Cb -0.13 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 3g5r s TYR 332 CO 0.03 0.06 -0.20 0.00 -1.11 0.00 0.00 175.55 174.33 3g5r s ALA 333 N -3.09 1.70 0.11 3.71 0.00 -0.85 -0.48 121.76 122.85 3g5r s ALA 333 Ca 0.14 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3g5r s ALA 333 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3g5r s ALA 333 CO 0.00 0.36 0.19 0.00 0.00 0.00 0.00 175.76 176.32 3g5r s ALA 334 N -0.90 -0.04 0.00 0.00 0.00 -0.50 -4.78 121.76 115.54 3g5r s ALA 334 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3g5r s ALA 334 Cb -0.09 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3g5r s ALA 334 CO 0.02 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3g5r n GLY 335 N -0.09 -0.61 0.37 0.00 0.00 -1.26 -3.75 105.19 99.86 3g5r n GLY 335 Ca -0.12 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.87 3g5r n GLY 335 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g5r h VAL 336 N 0.00 0.87 -0.52 1.61 2.07 -1.91 -0.10 116.25 118.27 3g5r h VAL 336 Ca 0.00 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.34 3g5r h VAL 336 Cb 0.00 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 3g5r h VAL 336 CO 0.00 0.14 0.35 0.25 0.02 0.00 0.00 177.57 178.34 3g5r h LEU 337 N 0.77 0.29 -0.16 2.57 5.85 -1.72 -0.38 115.31 122.55 3g5r h LEU 337 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3g5r h LEU 337 Cb 0.62 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3g5r h LEU 337 CO -0.21 0.18 -0.08 0.00 -0.34 0.00 0.00 178.44 177.99 3g5r n ALA 338 N -2.53 2.69 0.00 1.25 0.00 -0.06 -0.87 120.51 120.99 3g5r n ALA 338 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3g5r n ALA 338 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3g5r n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5r n GLY 339 N 1.27 1.17 4.01 0.00 0.00 -0.15 -4.54 105.19 106.95 3g5r n GLY 339 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3g5r n GLY 339 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g5r s VAL 340 N -2.00 2.82 -0.02 1.61 -7.23 -1.21 -1.19 120.40 113.17 3g5r s VAL 340 Ca 0.00 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 3g5r s VAL 340 Cb 0.00 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.12 3g5r s VAL 340 CO 0.00 0.00 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.07 3g5r s GLU 341 N -4.40 0.34 0.00 4.82 2.12 -0.48 -4.06 118.70 117.04 3g5r s GLU 341 Ca 0.56 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.87 3g5r s GLU 341 Cb -0.09 -0.42 0.00 0.00 0.26 0.00 0.00 34.13 33.88 3g5r s GLU 341 CO 0.34 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 3g5r n GLY 342 N 3.65 3.50 0.15 -1.50 0.00 -1.26 -4.37 105.19 105.36 3g5r n GLY 342 Ca -0.21 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 3g5r n GLY 342 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g5r h TYR 343 N 0.00 0.19 -0.22 1.61 0.05 -1.93 -0.71 116.97 115.96 3g5r h TYR 343 Ca 0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 3g5r h TYR 343 Cb 0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3g5r h TYR 343 CO 0.00 0.08 -0.07 1.25 -1.05 0.00 0.00 178.16 178.37 3g5r h LEU 344 N 0.25 0.44 -1.21 3.88 5.85 -1.91 -0.48 115.31 122.13 3g5r h LEU 344 Ca 0.15 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3g5r h LEU 344 Cb 0.13 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3g5r h LEU 344 CO -0.16 0.72 0.55 -0.33 -0.34 0.00 0.00 178.44 178.88 3g5r h GLU 345 N 0.16 0.95 -0.11 1.25 3.07 -1.79 0.17 114.58 118.29 3g5r h GLU 345 Ca 0.05 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3g5r h GLU 345 Cb 0.54 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3g5r h GLU 345 CO 0.02 0.63 -0.05 0.77 -1.40 0.00 0.00 179.01 178.99 3g5r h SER 346 N 0.98 0.22 -0.64 1.42 0.02 -0.79 -1.12 113.55 113.64 3g5r h SER 346 Ca 0.35 -0.40 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3g5r h SER 346 Cb 0.14 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 3g5r h SER 346 CO -0.12 0.58 0.35 0.00 -1.14 0.00 0.00 176.83 176.50 3g5r h ALA 347 N 0.65 0.85 -0.48 3.77 0.00 -0.71 -0.86 119.26 122.49 3g5r h ALA 347 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3g5r h ALA 347 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3g5r h ALA 347 CO 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.20 3g5r h ALA 348 N 1.33 0.65 -0.06 0.00 0.00 -0.54 -0.25 119.26 120.39 3g5r h ALA 348 Ca 0.28 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3g5r h ALA 348 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g5r h ALA 348 CO -0.17 0.54 -0.36 1.79 0.00 0.00 0.00 179.25 181.04 3g5r h THR 349 N 0.75 1.28 -0.53 0.00 1.35 -1.11 -2.43 112.91 112.22 3g5r h THR 349 Ca 0.12 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3g5r h THR 349 Cb 0.64 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 3g5r h THR 349 CO 0.04 0.39 0.33 1.23 -0.25 0.00 0.00 175.52 177.26 3g5r h GLY 350 N 1.13 0.75 0.45 5.82 0.00 -0.50 -0.61 103.07 110.11 3g5r h GLY 350 Ca 0.01 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.10 3g5r h GLY 350 CO 0.05 0.29 -0.06 -2.75 0.00 0.00 0.00 176.54 174.08 3g5r h PHE 351 N 0.71 -0.13 -0.45 5.60 3.57 -0.69 -0.17 116.94 125.38 3g5r h PHE 351 Ca 0.19 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 3g5r h PHE 351 Cb -0.04 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3g5r h PHE 351 CO -0.03 -0.11 -0.06 1.25 -2.23 0.00 0.00 178.31 177.13 3g5r h LEU 352 N 0.01 0.84 -0.60 0.59 5.85 -1.19 0.45 115.31 121.26 3g5r h LEU 352 Ca 0.14 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3g5r h LEU 352 Cb 0.21 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3g5r h LEU 352 CO -0.28 0.97 0.14 0.00 -0.34 0.00 0.00 178.44 178.93 3g5r h ALA 353 N 0.89 0.80 -0.57 1.25 0.00 -0.99 -0.69 119.26 119.94 3g5r h ALA 353 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3g5r h ALA 353 Cb 0.58 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g5r h ALA 353 CO 0.03 0.52 0.12 0.78 0.00 0.00 0.00 179.25 180.70 3g5r h GLY 354 N 0.88 1.00 0.84 0.00 0.00 -0.84 0.02 103.07 104.98 3g5r h GLY 354 Ca 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.89 3g5r h GLY 354 CO 0.00 0.60 0.03 -2.00 0.00 0.00 0.00 176.54 175.17 3g5r h LEU 355 N 0.83 0.01 -0.71 3.11 5.85 -0.66 -0.43 115.31 123.31 3g5r h LEU 355 Ca 0.18 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.78 3g5r h LEU 355 Cb 0.38 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3g5r h LEU 355 CO 0.01 0.03 -0.52 0.78 -0.34 0.00 0.00 178.44 178.40 3g5r h ASN 356 N 0.09 0.36 -0.60 1.25 2.35 -0.94 -0.64 115.58 117.45 3g5r h ASN 356 Ca 0.07 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 3g5r h ASN 356 Cb 0.06 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3g5r h ASN 356 CO -0.08 0.82 0.02 0.00 -1.65 0.00 0.00 177.43 176.53 3g5r h ALA 357 N 1.19 0.81 -0.32 -0.83 0.00 -0.85 0.43 119.26 119.69 3g5r h ALA 357 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3g5r h ALA 357 Cb 1.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3g5r h ALA 357 CO 0.08 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.09 3g5r h ALA 358 N 0.99 0.42 -0.88 0.00 0.00 -0.86 -1.04 119.26 117.89 3g5r h ALA 358 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3g5r h ALA 358 Cb 0.53 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3g5r h ALA 358 CO 0.03 0.03 0.49 0.00 0.00 0.00 0.00 179.25 179.79 3g5r h ARG 359 N 0.37 1.22 -0.38 0.00 3.08 -0.95 -1.84 114.38 115.88 3g5r h ARG 359 Ca 0.11 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g5r h ARG 359 Cb 0.20 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3g5r h ARG 359 CO -0.01 0.89 0.24 -0.22 -1.07 0.00 0.00 179.97 179.80 3g5r h LYS 360 N 1.22 0.51 -0.85 0.04 1.63 -0.65 0.31 116.57 118.78 3g5r h LYS 360 Ca 0.31 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 3g5r h LYS 360 Cb 0.02 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 3g5r h LYS 360 CO -0.05 0.35 0.55 0.00 -3.45 0.00 0.00 179.45 176.86 3g5r h ALA 361 N 1.12 1.53 0.00 5.00 0.00 -0.75 -1.97 119.26 124.20 3g5r h ALA 361 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g5r h ALA 361 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3g5r h ALA 361 CO -0.03 0.35 -0.10 1.28 0.00 0.00 0.00 179.25 180.76 3g5r n LEU 362 N -4.47 0.19 0.00 0.00 4.77 -0.73 -4.92 117.00 111.84 3g5r n LEU 362 Ca 0.12 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3g5r n LEU 362 Cb 0.17 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3g5r n LEU 362 CO 0.34 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3g5r n GLY 363 N 1.47 1.26 3.43 -0.72 0.00 -0.45 -5.08 105.19 105.10 3g5r n GLY 363 Ca 0.06 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3g5r n GLY 363 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5r s LEU 364 N 0.00 2.50 0.67 0.99 1.43 0.96 -5.00 118.68 120.23 3g5r s LEU 364 Ca 0.00 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 3g5r s LEU 364 Cb 0.00 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.77 3g5r s LEU 364 CO 0.00 0.26 1.13 -2.16 0.23 0.00 0.00 176.35 175.81 3g5r s PRO 365 N -1.35 2.67 0.73 1.29 0.04 -1.26 -3.49 135.00 133.63 3g5r s PRO 365 Ca 0.14 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 3g5r s PRO 365 Cb -0.10 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.54 3g5r s PRO 365 CO 0.04 -1.36 1.08 -1.25 0.04 0.00 0.00 177.00 175.55 3g5r s PRO 366 N -4.05 2.58 0.27 0.56 0.04 -1.26 -4.89 135.00 128.25 3g5r s PRO 366 Ca 0.68 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.86 3g5r s PRO 366 Cb -0.22 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3g5r s PRO 366 CO 0.42 -1.38 -0.01 0.14 0.04 0.00 0.00 177.00 176.21 3g5r s VAL 367 N -2.93 1.29 -0.12 -0.36 -7.23 -1.26 -5.08 120.40 104.71 3g5r s VAL 367 Ca 0.60 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 3g5r s VAL 367 Cb -0.16 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.32 3g5r s VAL 367 CO 0.55 -0.23 0.36 0.00 -0.31 0.00 0.00 175.10 175.46 3g5r s ALA 368 N -3.24 -0.89 0.89 1.32 0.00 -1.26 -4.58 121.76 114.00 3g5r s ALA 368 Ca 0.31 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 3g5r s ALA 368 Cb 0.06 -0.51 0.13 0.00 0.00 0.00 0.00 23.12 22.79 3g5r s ALA 368 CO 0.12 -0.18 1.10 -2.14 0.00 0.00 0.00 175.76 174.65 3g5r s PRO 369 N 0.01 1.26 0.70 0.00 0.02 -1.26 -4.98 135.00 130.75 3g5r s PRO 369 Ca -0.02 1.05 -0.15 0.00 0.02 0.00 0.00 61.00 61.90 3g5r s PRO 369 Cb -0.03 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.72 3g5r s PRO 369 CO 0.01 -2.30 1.15 -2.14 -0.33 0.00 0.00 177.00 173.39 3g5r s PRO 370 N -4.83 2.43 0.46 5.54 0.02 -1.26 -4.47 135.00 132.89 3g5r s PRO 370 Ca 0.64 1.54 0.31 0.00 0.02 0.00 0.00 61.00 63.52 3g5r s PRO 370 Cb -0.19 -1.89 1.59 0.00 0.02 0.00 0.00 34.50 34.02 3g5r s PRO 370 CO 0.58 -1.56 1.96 1.05 -0.33 0.00 0.00 177.00 178.69 3g5r h GLU 371 N -0.22 0.00 0.00 5.54 4.11 -1.94 -1.74 114.58 120.33 3g5r h GLU 371 Ca -0.47 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 3g5r h GLU 371 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3g5r h GLU 371 CO 0.52 0.00 -0.31 0.93 0.07 0.00 0.00 179.01 180.22 3g5r h GLU 372 N 0.00 0.00 -7.10 1.06 3.07 -1.93 -3.35 114.58 106.33 3g5r h GLU 372 Ca 0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 3g5r h GLU 372 Cb 0.15 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3g5r h GLU 372 CO 0.00 0.31 0.28 -1.54 -1.40 0.00 0.00 179.01 176.66 3g5r s SER 373 N -6.35 6.48 0.12 1.42 1.04 -0.65 -4.00 113.70 111.76 3g5r s SER 373 Ca 0.05 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.69 3g5r s SER 373 Cb 0.07 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 3g5r s SER 373 CO 0.71 -0.59 1.47 -0.03 0.98 0.00 0.00 173.24 175.79 3g5r h MET 374 N 0.71 0.77 -0.64 4.02 4.05 -1.86 0.31 114.93 122.29 3g5r h MET 374 Ca -0.46 -0.36 -0.06 0.00 -0.28 0.00 0.00 59.70 58.54 3g5r h MET 374 Cb 1.19 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 3g5r h MET 374 CO 0.62 0.99 0.18 1.25 0.23 0.00 0.00 176.91 180.18 3g5r h LEU 375 N 0.56 0.96 -0.54 3.39 5.85 -1.94 -0.77 115.31 122.82 3g5r h LEU 375 Ca 0.07 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3g5r h LEU 375 Cb 0.79 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3g5r h LEU 375 CO 0.06 0.93 0.29 1.23 -0.34 0.00 0.00 178.44 180.62 3g5r h GLY 376 N 0.94 0.80 1.02 3.75 0.00 -1.65 -1.07 103.07 106.86 3g5r h GLY 376 Ca 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3g5r h GLY 376 CO -0.00 0.35 0.41 -1.33 0.00 0.00 0.00 176.54 175.97 3g5r h GLY 377 N 0.72 1.21 0.84 4.60 0.00 -0.73 -1.39 103.07 108.32 3g5r h GLY 377 Ca 0.19 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3g5r h GLY 377 CO -0.03 0.55 -0.12 -2.00 0.00 0.00 0.00 176.54 174.94 3g5r h LEU 378 N 1.12 -0.29 -1.05 3.11 5.85 -0.67 -1.33 115.31 122.05 3g5r h LEU 378 Ca 0.28 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3g5r h LEU 378 Cb 0.07 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3g5r h LEU 378 CO -0.04 -0.06 -0.47 -0.37 -0.34 0.00 0.00 178.44 177.15 3g5r h VAL 379 N -0.51 1.34 -0.22 1.05 -1.51 -1.19 -1.69 116.25 113.52 3g5r h VAL 379 Ca -0.03 -1.62 -0.12 0.00 -1.23 0.00 0.00 66.70 63.70 3g5r h VAL 379 Cb 0.38 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 3g5r h VAL 379 CO 0.06 0.46 -0.36 0.03 -1.23 0.00 0.00 177.57 176.54 3g5r h ARG 380 N 0.01 0.48 -0.17 5.19 3.08 -1.17 -2.29 114.38 119.51 3g5r h ARG 380 Ca -0.00 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3g5r h ARG 380 Cb 0.84 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3g5r h ARG 380 CO 0.06 0.77 0.07 -0.92 -1.07 0.00 0.00 179.97 178.88 3g5r h TYR 381 N 0.41 0.26 -1.01 3.04 3.20 -0.74 -1.66 116.97 120.47 3g5r h TYR 381 Ca 0.04 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.05 3g5r h TYR 381 Cb 0.81 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.91 3g5r h TYR 381 CO 0.03 0.33 0.62 -0.07 -1.64 0.00 0.00 178.16 177.43 3g5r h LEU 382 N 0.11 0.86 0.00 2.82 3.38 -1.14 0.15 115.31 121.50 3g5r h LEU 382 Ca 0.06 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3g5r h LEU 382 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3g5r h LEU 382 CO -0.00 0.39 -0.55 0.00 0.09 0.00 0.00 178.44 178.37 3g5r h ALA 383 N 1.59 0.75 0.00 1.53 0.00 -1.19 -1.07 119.26 120.87 3g5r h ALA 383 Ca 0.54 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3g5r h ALA 383 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3g5r h ALA 383 CO -0.32 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.54 3g5r n THR 384 N -3.05 0.03 -1.02 0.00 -2.24 -0.64 -4.58 114.28 102.77 3g5r n THR 384 Ca 0.01 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 3g5r n THR 384 Cb 0.65 1.25 0.17 0.00 -2.10 0.00 0.00 70.33 70.30 3g5r n THR 384 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5r s ALA 385 N -0.03 0.98 -0.01 6.98 0.00 0.47 -4.14 121.76 126.02 3g5r s ALA 385 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 3g5r s ALA 385 Cb 0.00 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 3g5r s ALA 385 CO 0.00 -2.81 1.96 -1.71 0.00 0.00 0.00 175.76 173.20 3g5r n ASN 386 N -4.20 3.94 0.19 0.00 2.85 0.44 -4.79 115.26 113.69 3g5r n ASN 386 Ca 0.06 0.90 0.07 0.00 -0.11 0.00 0.00 54.58 55.50 3g5r n ASN 386 Cb 0.55 -1.48 0.23 0.00 1.24 0.00 0.00 39.78 40.32 3g5r n ASN 386 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g5r h PRO 387 N 10.38 0.00 -6.51 1.20 0.13 -1.91 -3.36 132.00 131.93 3g5r h PRO 387 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 3g5r h PRO 387 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 3g5r h PRO 387 CO 0.94 0.31 1.09 -1.21 -0.23 0.00 0.00 178.00 178.91 3g5r s GLU 388 N -3.28 3.54 -1.10 0.86 0.41 -1.26 -2.49 118.70 115.38 3g5r s GLU 388 Ca 0.03 0.97 -0.00 0.00 -0.41 0.00 0.00 54.97 55.56 3g5r s GLU 388 Cb 0.08 -4.05 0.00 0.00 -1.78 0.00 0.00 34.13 28.39 3g5r s GLU 388 CO 0.69 -1.61 0.01 0.41 -0.49 0.00 0.00 175.26 174.27 3g5r n GLY 389 N 5.13 -0.16 3.61 -1.39 0.00 -1.26 -4.94 105.19 106.18 3g5r n GLY 389 Ca 0.17 -0.34 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 3g5r n GLY 389 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g5r n PHE 390 N -4.01 1.64 -4.44 1.61 7.35 -1.04 -4.99 117.46 113.58 3g5r n PHE 390 Ca -0.15 0.57 -0.26 0.00 -0.76 0.00 0.00 57.45 56.86 3g5r n PHE 390 Cb 0.62 -2.36 -0.11 0.00 0.35 0.00 0.00 39.48 37.98 3g5r n PHE 390 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3g5r s GLN 391 N -0.18 1.62 0.82 -4.13 -1.52 -1.26 -4.99 119.66 110.03 3g5r s GLN 391 Ca 0.74 -1.63 -0.11 0.00 -1.95 0.00 0.00 55.36 52.41 3g5r s GLN 391 Cb -0.80 -1.83 0.09 0.00 -0.22 0.00 0.00 33.01 30.26 3g5r s GLN 391 CO 0.50 0.37 1.12 -2.14 -0.25 0.00 0.00 175.29 174.89 3g5r s PRO 392 N -3.07 1.75 0.01 2.91 0.02 -1.26 -5.01 135.00 130.35 3g5r s PRO 392 Ca 0.25 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.69 3g5r s PRO 392 Cb -0.07 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 3g5r s PRO 392 CO 0.13 -2.05 -0.12 1.41 -0.33 0.00 0.00 177.00 176.03 3g5r s MET 393 N -4.69 0.92 0.41 5.54 1.75 -0.33 -4.89 119.30 118.00 3g5r s MET 393 Ca 0.65 -0.57 0.07 0.00 -1.25 0.00 0.00 55.69 54.59 3g5r s MET 393 Cb -0.20 -0.90 -0.07 0.00 2.84 0.00 0.00 34.83 36.50 3g5r s MET 393 CO 0.55 0.23 0.06 1.52 -0.65 0.00 0.00 175.02 176.74 3g5r s TYR 394 N -0.56 2.54 0.20 4.11 1.13 -1.26 -1.38 117.35 122.13 3g5r s TYR 394 Ca 0.03 -0.63 -0.31 0.00 -1.41 0.00 0.00 57.07 54.74 3g5r s TYR 394 Cb -0.06 -1.81 -0.11 0.00 -1.10 0.00 0.00 41.96 38.88 3g5r s TYR 394 CO 0.00 0.37 1.57 0.00 -2.51 0.00 0.00 175.55 174.99 3g5r s ALA 395 N -2.67 3.78 0.14 9.51 0.00 -1.26 -4.99 121.76 126.27 3g5r s ALA 395 Ca 0.37 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.51 3g5r s ALA 395 Cb 0.08 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.64 3g5r s ALA 395 CO 0.19 -0.82 0.70 0.54 0.00 0.00 0.00 175.76 176.37 3g5r s ASN 396 N 0.93 -0.46 0.21 0.00 2.20 -1.26 -4.61 114.94 111.95 3g5r s ASN 396 Ca 0.68 -0.11 0.23 0.00 -0.94 0.00 0.00 52.86 52.72 3g5r s ASN 396 Cb -0.45 0.57 0.92 0.00 -2.00 0.00 0.00 41.25 40.29 3g5r s ASN 396 CO 0.36 -0.95 1.71 0.79 -2.94 0.00 0.00 177.10 176.06 3g5r n TRP 397 N -0.37 0.72 0.30 1.54 7.02 -1.26 -2.28 117.44 123.10 3g5r n TRP 397 Ca -0.13 0.26 0.15 0.00 -1.02 0.00 0.00 57.50 56.77 3g5r n TRP 397 Cb 0.63 -0.92 0.72 0.00 -2.42 0.00 0.00 31.31 29.31 3g5r n TRP 397 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3g5r h GLY 398 N 2.88 0.00 2.00 6.99 0.00 -1.93 -3.12 103.07 109.89 3g5r h GLY 398 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g5r h GLY 398 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3g5r h LEU 399 N 0.00 0.00 -9.32 3.11 3.38 -1.82 -3.45 115.31 107.21 3g5r h LEU 399 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3g5r h LEU 399 Cb 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.86 3g5r h LEU 399 CO 0.00 0.00 -0.72 0.68 0.09 0.00 0.00 178.44 178.49 3g5r s VAL 400 N -3.15 2.81 0.76 1.22 -7.23 -1.18 -4.54 120.40 109.08 3g5r s VAL 400 Ca 0.09 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 57.89 3g5r s VAL 400 Cb 0.10 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.62 3g5r s VAL 400 CO 0.60 -0.38 1.23 -2.84 -0.31 0.00 0.00 175.10 173.40 3g5r s PRO 401 N -3.54 1.92 0.84 4.82 0.02 -1.26 -4.99 135.00 132.82 3g5r s PRO 401 Ca 0.30 1.84 -0.12 0.00 0.02 0.00 0.00 61.00 63.05 3g5r s PRO 401 Cb -0.06 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.76 3g5r s PRO 401 CO 0.17 -2.02 1.10 -1.25 -0.33 0.00 0.00 177.00 174.66 3g5r s PRO 402 N -3.91 1.70 -0.30 5.54 0.04 -1.26 -5.02 135.00 131.78 3g5r s PRO 402 Ca 0.76 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 3g5r s PRO 402 Cb -0.31 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3g5r s PRO 402 CO 0.47 -1.90 0.21 0.08 0.04 0.00 0.00 177.00 175.90 3g5r s VAL 403 N -3.08 5.28 0.40 -0.36 1.01 -1.26 -5.08 120.40 117.31 3g5r s VAL 403 Ca 0.62 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 3g5r s VAL 403 Cb -0.16 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 3g5r s VAL 403 CO 0.55 0.16 1.00 -1.61 0.00 0.00 0.00 175.10 175.20 3g5r s GLU 404 N 1.74 4.22 0.00 2.72 2.02 -1.26 -4.95 118.70 123.20 3g5r s GLU 404 Ca 0.07 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.41 3g5r s GLU 404 Cb -0.17 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.62 3g5r s GLU 404 CO 0.11 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.73 3g5r n GLY 405 N 0.07 2.01 2.51 -1.39 0.00 -1.26 -4.93 105.19 102.20 3g5r n GLY 405 Ca 0.05 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 3g5r n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5r n ARG 406 N -1.73 3.15 -2.88 1.61 1.74 -1.26 -5.02 116.66 112.26 3g5r n ARG 406 Ca 0.00 -3.97 -0.23 0.00 -0.77 0.00 0.00 57.85 52.88 3g5r n ARG 406 Cb 0.00 -2.27 0.02 0.00 -1.02 0.00 0.00 32.46 29.19 3g5r n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5r s MET 407 N -3.76 2.93 0.67 5.56 0.23 -1.26 -5.09 119.30 118.58 3g5r s MET 407 Ca 0.52 -0.55 -0.14 0.00 -1.03 0.00 0.00 55.69 54.49 3g5r s MET 407 Cb 0.43 -2.53 0.00 0.00 -1.53 0.00 0.00 34.83 31.20 3g5r s MET 407 CO -0.20 -0.39 1.08 0.20 -2.03 0.00 0.00 175.02 173.69 3g5r s GLY 408 N -4.27 1.98 0.36 3.16 0.00 -1.26 -4.79 107.32 102.50 3g5r s GLY 408 Ca 0.51 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.64 3g5r s GLY 408 CO 0.38 0.71 2.01 0.50 0.00 0.00 0.00 173.10 176.71 3g5r h LYS 409 N -0.19 0.77 -0.13 2.90 1.57 -1.98 0.44 116.57 119.95 3g5r h LYS 409 Ca -0.46 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3g5r h LYS 409 Cb 1.23 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3g5r h LYS 409 CO 0.55 0.51 0.08 -0.22 -0.57 0.00 0.00 179.45 179.80 3g5r h LYS 410 N 0.79 0.17 -0.77 3.15 3.64 -1.99 0.13 116.57 121.69 3g5r h LYS 410 Ca 0.23 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3g5r h LYS 410 Cb -0.04 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3g5r h LYS 410 CO -0.05 0.16 0.39 1.49 -2.27 0.00 0.00 179.45 179.17 3g5r h GLU 411 N 0.13 1.10 -0.49 1.90 4.81 -1.70 -1.07 114.58 119.26 3g5r h GLU 411 Ca 0.05 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3g5r h GLU 411 Cb 0.04 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3g5r h GLU 411 CO -0.01 0.83 0.11 0.87 -0.73 0.00 0.00 179.01 180.09 3g5r h LYS 412 N 1.09 0.79 -0.51 1.92 1.57 -0.63 -1.34 116.57 119.46 3g5r h LYS 412 Ca 0.27 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3g5r h LYS 412 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3g5r h LYS 412 CO -0.04 0.77 0.05 0.00 -0.57 0.00 0.00 179.45 179.66 3g5r h ARG 413 N 0.67 0.87 -0.90 3.15 2.47 -0.61 0.15 114.38 120.18 3g5r h ARG 413 Ca 0.15 -0.25 0.03 0.00 -1.26 0.00 0.00 59.98 58.65 3g5r h ARG 413 Cb 0.34 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.52 3g5r h ARG 413 CO 0.00 0.88 0.60 1.96 0.56 0.00 0.00 179.97 183.97 3g5r h GLN 414 N 0.75 1.11 -0.57 0.04 4.20 -1.11 -0.16 115.11 119.38 3g5r h GLN 414 Ca 0.15 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3g5r h GLN 414 Cb 0.45 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3g5r h GLN 414 CO 0.02 0.74 -0.02 0.00 -0.67 0.00 0.00 178.83 178.89 3g5r h ALA 415 N 1.47 0.88 -0.45 3.87 0.00 -0.63 -1.06 119.26 123.34 3g5r h ALA 415 Ca 0.36 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3g5r h ALA 415 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3g5r h ALA 415 CO -0.10 0.65 -0.08 0.52 0.00 0.00 0.00 179.25 180.24 3g5r h MET 416 N 0.92 0.79 0.28 0.00 2.86 -0.30 0.43 114.93 119.91 3g5r h MET 416 Ca 0.16 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3g5r h MET 416 Cb 0.56 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3g5r h MET 416 CO 0.03 0.85 -0.14 -0.92 1.06 0.00 0.00 176.91 177.79 3g5r h TYR 417 N 0.72 -0.35 -0.48 -0.22 5.03 -0.76 -0.52 116.97 120.39 3g5r h TYR 417 Ca 0.13 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 3g5r h TYR 417 Cb 0.56 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.93 3g5r h TYR 417 CO 0.03 -0.16 0.19 0.00 -1.32 0.00 0.00 178.16 176.91 3g5r h ARG 418 N -0.47 0.72 -0.64 1.82 3.08 -1.05 -1.05 114.38 116.79 3g5r h ARG 418 Ca -0.04 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3g5r h ARG 418 Cb 0.35 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3g5r h ARG 418 CO 0.06 0.65 0.41 -0.09 -1.07 0.00 0.00 179.97 179.93 3g5r h ARG 419 N 0.64 0.86 -0.36 0.04 2.43 -0.90 -1.49 114.38 115.59 3g5r h ARG 419 Ca 0.16 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3g5r h ARG 419 Cb 0.19 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3g5r h ARG 419 CO -0.01 0.58 -0.15 0.78 -1.51 0.00 0.00 179.97 179.66 3g5r h GLY 420 N 0.87 0.81 0.93 2.80 0.00 -0.82 -1.37 103.07 106.30 3g5r h GLY 420 Ca 0.23 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 3g5r h GLY 420 CO -0.05 0.65 0.03 -2.00 0.00 0.00 0.00 176.54 175.17 3g5r h LEU 421 N 0.53 0.64 -0.74 3.11 5.85 -1.08 0.75 115.31 124.37 3g5r h LEU 421 Ca 0.08 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3g5r h LEU 421 Cb 0.69 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3g5r h LEU 421 CO 0.05 0.76 0.46 -0.33 -0.34 0.00 0.00 178.44 179.04 3g5r h GLU 422 N 0.49 0.99 -0.57 1.25 5.08 -1.26 -0.22 114.58 120.34 3g5r h GLU 422 Ca 0.11 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3g5r h GLU 422 Cb 0.42 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3g5r h GLU 422 CO 0.01 0.69 -0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3g5r h ALA 423 N 1.24 0.77 -0.51 3.43 0.00 -0.98 -1.18 119.26 122.03 3g5r h ALA 423 Ca 0.27 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3g5r h ALA 423 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3g5r h ALA 423 CO -0.05 0.60 0.05 0.35 0.00 0.00 0.00 179.25 180.20 3g5r h PHE 424 N 0.89 0.92 -0.54 0.00 3.57 -0.58 -1.54 116.94 119.66 3g5r h PHE 424 Ca 0.16 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3g5r h PHE 424 Cb 0.55 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3g5r h PHE 424 CO 0.04 0.84 0.28 0.77 -2.23 0.00 0.00 178.31 178.01 3g5r h SER 425 N 0.73 0.69 -0.79 0.41 0.02 -0.88 -0.22 113.55 113.51 3g5r h SER 425 Ca 0.15 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3g5r h SER 425 Cb 0.44 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3g5r h SER 425 CO 0.02 0.60 0.37 0.00 -1.14 0.00 0.00 176.83 176.67 3g5r h ALA 426 N 1.11 1.15 -0.20 3.77 0.00 -1.12 -1.15 119.26 122.82 3g5r h ALA 426 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3g5r h ALA 426 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3g5r h ALA 426 CO -0.03 0.64 0.10 2.35 0.00 0.00 0.00 179.25 182.31 3g5r h TRP 427 N 1.14 0.28 -0.41 0.00 7.01 -0.80 -2.64 115.95 120.51 3g5r h TRP 427 Ca 0.27 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.32 3g5r h TRP 427 Cb 0.14 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.06 3g5r h TRP 427 CO 0.02 0.27 0.10 -0.07 -2.79 0.00 0.00 178.44 175.97 3g5r h LEU 428 N 0.20 0.05 -2.48 0.65 3.38 -0.68 -2.05 115.31 114.39 3g5r h LEU 428 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3g5r h LEU 428 Cb 0.09 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3g5r h LEU 428 CO -0.01 0.06 -0.02 0.28 0.09 0.00 0.00 178.44 178.84 3g5r h SER 429 N 0.24 0.00 0.52 -0.43 0.02 -1.01 -1.91 113.55 110.98 3g5r h SER 429 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3g5r h SER 429 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3g5r h SER 429 CO -0.24 0.02 -0.40 0.61 -1.14 0.00 0.00 176.83 175.68 3g5r n GLY 430 N -0.87 -1.19 3.74 -3.77 0.00 -0.78 -4.93 105.19 97.40 3g5r n GLY 430 Ca -0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3g5r n GLY 430 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5r s LEU 431 N -2.92 4.41 -0.13 0.99 1.43 -0.72 -5.02 118.68 116.71 3g5r s LEU 431 Ca 0.14 2.52 -0.02 0.00 -1.03 0.00 0.00 54.13 55.73 3g5r s LEU 431 Cb 0.18 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.83 3g5r s LEU 431 CO 0.65 -0.60 0.03 0.21 0.23 0.00 0.00 176.35 176.87 3g5r s ASN 432 N 0.31 2.12 0.64 2.29 3.84 -1.26 -3.08 114.94 119.80 3g5r s ASN 432 Ca 0.57 -0.41 -0.16 0.00 0.21 0.00 0.00 52.86 53.08 3g5r s ASN 432 Cb -0.39 -0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 39.86 3g5r s ASN 432 CO 0.41 -0.26 1.12 -2.16 -2.79 0.00 0.00 177.10 173.42 3g5r s PRO 433 N 1.98 2.88 0.50 0.43 0.04 -1.26 -5.08 135.00 134.48 3g5r s PRO 433 Ca 0.02 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.37 3g5r s PRO 433 Cb -0.14 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3g5r s PRO 433 CO -0.07 -1.20 0.98 -2.14 0.04 0.00 0.00 177.00 174.61 3g5r s PRO 434 N -3.89 3.99 -0.11 0.56 0.02 -1.18 -5.01 135.00 129.38 3g5r s PRO 434 Ca 0.69 0.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.39 3g5r s PRO 434 Cb -0.22 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 3g5r s PRO 434 CO 0.38 -0.23 1.49 -0.51 -0.33 0.00 0.00 177.00 177.81 3g5r s LEU 435 N -3.92 4.23 0.00 -5.54 1.43 -1.26 -5.01 118.68 108.61 3g5r s LEU 435 Ca 0.59 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3g5r s LEU 435 Cb -0.10 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.59 3g5r s LEU 435 CO 0.28 -0.89 0.41 -2.65 0.23 0.00 0.00 176.35 173.73