#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5r1r n ASN 2 N 0.00 -0.59 -4.56 7.83 3.02 -1.26 -5.10 115.26 114.60 5r1r n ASN 2 Ca 0.00 -1.48 -0.32 0.00 -0.03 0.00 0.00 54.58 52.75 5r1r n ASN 2 Cb 0.00 0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 5r1r n ASN 2 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 5r1r s GLN 3 N 0.05 2.90 -0.04 3.52 1.11 -1.26 -4.90 119.66 121.05 5r1r s GLN 3 Ca 0.04 -0.70 -0.02 0.00 0.01 0.00 0.00 55.36 54.69 5r1r s GLN 3 Cb 0.17 -5.19 -0.01 0.00 -1.01 0.00 0.00 33.01 26.98 5r1r s GLN 3 CO -0.05 -3.07 -0.03 -0.91 0.01 0.00 0.00 175.29 171.24 5r1r h ASN 4 N 10.52 0.00 -0.36 5.90 2.35 -2.02 -3.51 115.58 128.45 5r1r h ASN 4 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 5r1r h ASN 4 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 5r1r h ASN 4 CO 1.28 0.19 0.00 0.18 -1.65 0.00 0.00 177.43 177.43 5r1r n LEU 5 N -2.87 -0.24 -4.63 1.61 4.77 -1.26 -4.46 117.00 109.93 5r1r n LEU 5 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 5r1r n LEU 5 Cb 0.05 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 5r1r n LEU 5 CO 0.02 0.00 0.79 -0.76 -1.33 0.00 0.00 177.39 176.11 5r1r s LEU 6 N 0.00 4.01 0.28 2.23 1.43 -1.12 -1.76 118.68 123.75 5r1r s LEU 6 Ca 0.00 0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 5r1r s LEU 6 Cb 0.00 -3.33 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 5r1r s LEU 6 CO 0.00 -0.76 0.81 -0.69 0.23 0.00 0.00 176.35 175.94 5r1r s VAL 7 N 3.33 4.47 -0.11 -1.59 1.01 0.16 -3.49 120.40 124.17 5r1r s VAL 7 Ca 0.39 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.79 5r1r s VAL 7 Cb -0.13 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 5r1r s VAL 7 CO 0.14 0.08 -0.13 0.28 0.00 0.00 0.00 175.10 175.47 5r1r s THR 8 N -1.68 3.08 0.42 3.92 -1.32 -0.63 -2.16 115.64 117.27 5r1r s THR 8 Ca 0.48 -0.67 0.08 0.00 -1.21 0.00 0.00 61.69 60.37 5r1r s THR 8 Cb -0.16 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.57 5r1r s THR 8 CO 0.20 0.54 0.56 -0.54 -2.21 0.00 0.00 174.62 173.18 5r1r s LYS 9 N 0.02 2.84 -0.64 7.08 1.02 -0.84 -1.96 119.74 127.25 5r1r s LYS 9 Ca -0.04 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 5r1r s LYS 9 Cb -0.14 -2.75 -0.14 0.00 -0.52 0.00 0.00 37.83 34.28 5r1r s LYS 9 CO 0.04 -0.25 2.46 0.54 -0.92 0.00 0.00 175.35 177.22 5r1r n ARG 10 N -1.83 0.66 -1.79 1.68 3.00 -1.26 -3.04 116.66 114.08 5r1r n ARG 10 Ca 0.08 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 5r1r n ARG 10 Cb 0.59 -2.49 0.00 0.00 0.00 0.00 0.00 32.46 30.56 5r1r n ARG 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 5r1r n ASP 11 N 12.48 0.00 0.00 0.55 9.92 -1.26 -4.53 116.55 133.70 5r1r n ASP 11 Ca 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 5r1r n ASP 11 Cb 0.28 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 5r1r n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 5r1r n GLY 12 N -0.29 1.00 4.48 0.44 0.00 -1.17 -5.14 105.19 104.50 5r1r n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 5r1r n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5r1r n SER 13 N 0.00 0.00 -1.55 1.61 7.64 -1.17 -4.72 113.62 115.43 5r1r n SER 13 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 5r1r n SER 13 Cb 0.13 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.33 5r1r n SER 13 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 5r1r n THR 14 N 0.00 0.00 0.00 0.44 -2.24 -1.26 -1.99 114.28 109.23 5r1r n THR 14 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 5r1r n THR 14 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 5r1r n THR 14 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 5r1r n GLU 15 N 0.66 0.00 -1.45 -0.78 2.13 -0.92 -4.81 120.64 115.48 5r1r n GLU 15 Ca 0.02 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 5r1r n GLU 15 Cb 0.18 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.01 5r1r n GLU 15 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 5r1r s ARG 16 N -1.71 1.58 0.65 5.31 0.52 -1.26 0.36 118.95 124.39 5r1r s ARG 16 Ca 0.00 0.59 -0.16 0.00 -0.52 0.00 0.00 55.73 55.64 5r1r s ARG 16 Cb 0.00 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 5r1r s ARG 16 CO 0.00 -1.96 1.14 -1.50 0.02 0.00 0.00 175.30 173.00 5r1r s ILE 17 N -3.12 3.02 -0.43 1.52 -1.16 -0.72 -4.42 121.20 115.89 5r1r s ILE 17 Ca 0.62 0.52 0.05 0.00 -0.51 0.00 0.00 60.65 61.33 5r1r s ILE 17 Cb -0.16 -3.07 0.19 0.00 0.61 0.00 0.00 42.46 40.03 5r1r s ILE 17 CO 0.55 -0.25 0.39 -3.20 -2.81 0.00 0.00 174.94 169.62 5r1r n ASN 18 N -2.21 -0.05 0.03 4.50 2.85 -1.26 -4.94 115.26 114.16 5r1r n ASN 18 Ca 0.11 -2.51 0.12 0.00 -0.11 0.00 0.00 54.58 52.19 5r1r n ASN 18 Cb 0.51 -0.58 0.48 0.00 1.24 0.00 0.00 39.78 41.43 5r1r n ASN 18 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 5r1r n LEU 19 N 2.45 0.17 0.02 1.20 4.77 -1.26 -2.53 117.00 121.82 5r1r n LEU 19 Ca 0.28 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 56.77 5r1r n LEU 19 Cb 0.48 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 5r1r n LEU 19 CO 0.12 -0.15 -0.40 0.47 -1.33 0.00 0.00 177.39 176.10 5r1r n ASP 20 N -1.67 0.77 0.06 -1.43 8.00 -1.26 -2.69 116.55 118.34 5r1r n ASP 20 Ca 0.05 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.77 5r1r n ASP 20 Cb 0.29 0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.57 5r1r n ASP 20 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 5r1r h LYS 21 N 0.00 -0.13 -0.47 -1.24 3.64 -1.91 -2.05 116.57 114.41 5r1r h LYS 21 Ca -0.20 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 5r1r h LYS 21 Cb 1.65 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.45 5r1r h LYS 21 CO 0.05 0.15 0.20 0.82 -2.27 0.00 0.00 179.45 178.39 5r1r h ILE 22 N -0.40 0.89 0.20 2.00 2.04 -1.62 -1.29 117.51 119.33 5r1r h ILE 22 Ca -0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 5r1r h ILE 22 Cb 0.34 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 5r1r h ILE 22 CO 0.02 0.07 -0.13 -0.74 0.00 0.00 0.00 178.15 177.37 5r1r h HIS 23 N 0.39 -0.35 -0.45 1.37 2.76 -1.46 -0.03 115.15 117.38 5r1r h HIS 23 Ca 0.22 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.46 5r1r h HIS 23 Cb 0.19 0.13 -0.10 0.00 1.55 0.00 0.00 27.41 29.18 5r1r h HIS 23 CO -0.14 -0.21 -0.40 0.00 -1.30 0.00 0.00 177.93 175.89 5r1r h ARG 24 N -0.33 -0.27 -0.30 5.26 3.08 -0.88 0.32 114.38 121.26 5r1r h ARG 24 Ca -0.02 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.12 5r1r h ARG 24 Cb 0.28 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 5r1r h ARG 24 CO 0.01 -0.18 -0.15 0.28 -1.07 0.00 0.00 179.97 178.87 5r1r h VAL 25 N -0.28 0.55 0.19 2.04 2.07 -0.98 0.88 116.25 120.72 5r1r h VAL 25 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 5r1r h VAL 25 Cb 0.57 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 5r1r h VAL 25 CO -0.59 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 176.79 5r1r h LEU 26 N -0.10 -0.34 -0.68 2.57 3.38 0.50 -1.98 115.31 118.66 5r1r h LEU 26 Ca 0.16 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.29 5r1r h LEU 26 Cb 0.34 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.07 5r1r h LEU 26 CO -0.37 -0.21 -0.10 -0.78 0.09 0.00 0.00 178.44 177.06 5r1r h ASP 27 N -0.32 -0.51 0.30 -0.43 3.58 -0.01 -1.43 116.42 117.59 5r1r h ASP 27 Ca -0.01 0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 5r1r h ASP 27 Cb 0.28 0.38 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 5r1r h ASP 27 CO 0.00 -0.20 -0.51 -0.25 -2.88 0.00 0.00 179.24 175.41 5r1r h TRP 28 N 0.04 -1.43 -0.88 0.28 7.01 -0.61 -2.75 115.95 117.61 5r1r h TRP 28 Ca 0.34 0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.62 5r1r h TRP 28 Cb 0.55 0.59 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 5r1r h TRP 28 CO -0.49 -0.62 0.63 0.00 -2.79 0.00 0.00 178.44 175.17 5r1r h ALA 29 N -0.75 2.77 0.00 2.65 0.00 -0.53 0.01 119.26 123.42 5r1r h ALA 29 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 5r1r h ALA 29 Cb 0.80 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 5r1r h ALA 29 CO -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.05 5r1r h ALA 30 N 1.57 1.00 -1.18 0.00 0.00 -1.02 -3.42 119.26 116.21 5r1r h ALA 30 Ca 0.42 0.00 -0.81 0.00 0.00 0.00 0.00 54.91 54.52 5r1r h ALA 30 Cb 1.63 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.44 5r1r h ALA 30 CO -0.02 0.00 0.56 0.39 0.00 0.00 0.00 179.25 180.18 5r1r n GLU 31 N -3.01 0.35 0.00 0.00 -0.58 -0.01 -0.77 120.64 116.62 5r1r n GLU 31 Ca 0.04 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 5r1r n GLU 31 Cb 0.48 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 5r1r n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 5r1r n GLY 32 N 3.29 2.57 3.89 0.62 0.00 -1.26 -5.04 105.19 109.26 5r1r n GLY 32 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 5r1r n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5r1r s LEU 33 N 0.00 3.71 -0.02 0.99 1.43 0.05 -5.09 118.68 119.74 5r1r s LEU 33 Ca 0.00 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.21 5r1r s LEU 33 Cb 0.00 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 5r1r s LEU 33 CO 0.00 -0.50 -0.23 -1.00 0.23 0.00 0.00 176.35 174.85 5r1r s HIS 34 N -2.58 2.07 -0.74 0.29 3.76 -1.26 -4.76 115.29 112.08 5r1r s HIS 34 Ca 0.49 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 5r1r s HIS 34 Cb -0.10 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.25 5r1r s HIS 34 CO 0.39 -0.06 0.00 0.09 -0.85 0.00 0.00 174.74 174.31 5r1r n ASN 35 N 2.59 -3.14 -4.32 1.40 4.13 -1.26 -4.49 115.26 110.17 5r1r n ASN 35 Ca -0.16 0.03 -0.32 0.00 1.68 0.00 0.00 54.58 55.81 5r1r n ASN 35 Cb 0.52 -2.24 -0.15 0.00 -1.54 0.00 0.00 39.78 36.37 5r1r n ASN 35 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 5r1r s VAL 36 N -2.39 2.56 -0.50 2.41 -7.23 -1.26 -4.87 120.40 109.12 5r1r s VAL 36 Ca 0.00 -0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 5r1r s VAL 36 Cb 0.00 -2.01 0.09 0.00 0.56 0.00 0.00 36.38 35.02 5r1r s VAL 36 CO 0.00 0.55 0.45 -0.55 -0.31 0.00 0.00 175.10 175.25 5r1r s SER 37 N 0.06 6.17 0.19 4.85 0.15 -1.26 -4.94 113.70 118.92 5r1r s SER 37 Ca -0.08 -1.43 -0.12 0.00 0.70 0.00 0.00 55.95 55.01 5r1r s SER 37 Cb -0.15 -2.20 0.16 0.00 -1.71 0.00 0.00 66.02 62.12 5r1r s SER 37 CO 0.05 -0.74 1.78 0.40 1.20 0.00 0.00 173.24 175.93 5r1r h ILE 38 N 5.81 0.92 -0.31 6.45 2.04 -1.98 -1.56 117.51 128.87 5r1r h ILE 38 Ca -0.29 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.48 5r1r h ILE 38 Cb 1.11 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 5r1r h ILE 38 CO 0.94 0.09 -0.18 0.77 0.00 0.00 0.00 178.15 179.76 5r1r h SER 39 N 0.48 -0.61 -0.38 1.72 4.64 -1.99 0.36 113.55 117.77 5r1r h SER 39 Ca 0.24 0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.77 5r1r h SER 39 Cb 0.18 0.32 -0.09 0.00 -0.31 0.00 0.00 62.40 62.50 5r1r h SER 39 CO -0.19 -0.22 -0.26 1.56 -0.87 0.00 0.00 176.83 176.86 5r1r h GLN 40 N -0.15 -0.19 -0.55 4.77 1.08 -1.72 0.32 115.11 118.67 5r1r h GLN 40 Ca 0.16 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.42 5r1r h GLN 40 Cb 0.40 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 5r1r h GLN 40 CO -0.40 -0.13 0.29 0.28 -0.95 0.00 0.00 178.83 177.92 5r1r h VAL 41 N -0.20 0.98 -0.11 -0.54 2.07 -0.67 -1.77 116.25 116.02 5r1r h VAL 41 Ca 0.18 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 5r1r h VAL 41 Cb 0.48 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 5r1r h VAL 41 CO -0.50 0.10 0.05 -0.33 0.02 0.00 0.00 177.57 176.92 5r1r h GLU 42 N 0.57 0.16 -0.09 1.57 5.08 0.13 -2.31 114.58 119.69 5r1r h GLU 42 Ca 0.24 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 5r1r h GLU 42 Cb 0.12 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 5r1r h GLU 42 CO -0.15 0.24 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.71 5r1r h LEU 43 N 0.04 -0.96 -2.28 1.33 3.38 -0.09 0.56 115.31 117.29 5r1r h LEU 43 Ca 0.04 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 5r1r h LEU 43 Cb 0.13 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 5r1r h LEU 43 CO -0.00 -0.36 -0.05 0.03 0.09 0.00 0.00 178.44 178.15 5r1r h ARG 44 N -0.41 0.00 0.00 1.13 3.08 -1.25 -2.98 114.38 113.95 5r1r h ARG 44 Ca 0.09 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.80 5r1r h ARG 44 Cb 0.54 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 5r1r h ARG 44 CO -0.32 0.05 -2.26 -1.13 -1.07 0.00 0.00 179.97 175.23 5r1r n SER 45 N -3.71 0.94 -0.28 7.04 3.41 -0.82 -4.49 113.62 115.70 5r1r n SER 45 Ca -0.02 -0.03 -0.06 0.00 -0.26 0.00 0.00 58.87 58.50 5r1r n SER 45 Cb 0.14 0.62 0.06 0.00 -0.26 0.00 0.00 64.21 64.78 5r1r n SER 45 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 5r1r h HIS 46 N 0.00 1.15 -0.17 7.33 3.86 0.15 -2.11 115.15 125.36 5r1r h HIS 46 Ca -0.50 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 58.69 5r1r h HIS 46 Cb 2.04 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 30.15 5r1r h HIS 46 CO 0.01 0.86 0.36 0.97 0.86 0.00 0.00 177.93 180.99 5r1r h ILE 47 N 1.11 0.18 -0.50 2.45 6.09 -1.73 0.74 117.51 125.86 5r1r h ILE 47 Ca 0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 5r1r h ILE 47 Cb 0.17 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.14 5r1r h ILE 47 CO -0.03 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.05 5r1r n GLN 48 N -3.29 3.17 -3.05 2.19 10.64 -0.80 -4.95 117.38 121.30 5r1r n GLN 48 Ca 0.02 -2.57 -0.39 0.00 -1.83 0.00 0.00 57.00 52.23 5r1r n GLN 48 Cb 0.46 -1.63 -0.06 0.00 -0.86 0.00 0.00 30.24 28.16 5r1r n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 5r1r s PHE 49 N -1.59 3.81 0.05 2.61 0.08 0.25 -5.07 117.98 118.13 5r1r s PHE 49 Ca 0.40 1.48 0.04 0.00 0.12 0.00 0.00 56.93 58.98 5r1r s PHE 49 Cb 0.25 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 5r1r s PHE 49 CO 0.20 0.43 -0.13 1.52 -0.10 0.00 0.00 175.22 177.15 5r1r s TYR 50 N -0.68 1.10 0.00 0.36 1.13 -1.26 -5.08 117.35 112.92 5r1r s TYR 50 Ca 0.35 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.59 5r1r s TYR 50 Cb -0.21 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 40.01 5r1r s TYR 50 CO 0.23 0.03 0.04 -3.47 -2.51 0.00 0.00 175.55 169.87 5r1r n ASP 51 N 1.56 0.00 -3.12 -0.18 -0.08 -1.26 -2.47 116.55 111.00 5r1r n ASP 51 Ca -0.20 0.04 -0.35 0.00 -1.51 0.00 0.00 54.79 52.77 5r1r n ASP 51 Cb 0.54 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.98 5r1r n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 5r1r n GLY 52 N -0.20 4.90 3.78 0.27 0.00 -1.23 -2.80 105.19 109.91 5r1r n GLY 52 Ca 0.00 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 5r1r n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 5r1r s ILE 53 N -1.57 4.42 0.57 -0.61 2.07 -1.03 -4.58 121.20 120.47 5r1r s ILE 53 Ca 0.56 1.61 -0.15 0.00 -1.41 0.00 0.00 60.65 61.26 5r1r s ILE 53 Cb 0.26 -4.08 -0.05 0.00 0.13 0.00 0.00 42.46 38.72 5r1r s ILE 53 CO -0.14 0.47 1.03 -1.59 -1.91 0.00 0.00 174.94 172.80 5r1r s LYS 54 N -1.29 3.56 0.24 3.50 -2.85 -1.26 -1.61 119.74 120.03 5r1r s LYS 54 Ca 0.37 1.05 -0.04 0.00 -1.00 0.00 0.00 55.97 56.34 5r1r s LYS 54 Cb -0.22 -2.07 0.41 0.00 -2.06 0.00 0.00 37.83 33.88 5r1r s LYS 54 CO 0.25 -0.60 1.80 1.79 0.10 0.00 0.00 175.35 178.68 5r1r h THR 55 N 0.48 0.87 -0.84 3.79 1.35 -1.77 -1.28 112.91 115.51 5r1r h THR 55 Ca -0.46 -0.25 0.14 0.00 -0.55 0.00 0.00 66.41 65.29 5r1r h THR 55 Cb 1.20 0.08 -0.06 0.00 -1.73 0.00 0.00 68.15 67.64 5r1r h THR 55 CO 0.59 0.13 0.55 0.77 -0.25 0.00 0.00 175.52 177.31 5r1r h SER 56 N 0.72 0.57 0.45 5.36 4.64 -1.92 0.85 113.55 124.21 5r1r h SER 56 Ca 0.40 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.59 5r1r h SER 56 Cb 0.41 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 5r1r h SER 56 CO -0.27 0.29 -0.67 0.44 -0.87 0.00 0.00 176.83 175.75 5r1r h ASP 57 N 0.61 0.24 -0.87 4.97 3.32 -1.61 -2.06 116.42 121.01 5r1r h ASP 57 Ca 0.41 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 5r1r h ASP 57 Cb 0.73 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 5r1r h ASP 57 CO -0.17 0.84 0.50 0.40 -1.72 0.00 0.00 179.24 179.08 5r1r h ILE 58 N 0.14 1.25 -0.17 0.35 1.08 -0.60 0.15 117.51 119.71 5r1r h ILE 58 Ca -0.01 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 5r1r h ILE 58 Cb 1.20 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 5r1r h ILE 58 CO 0.10 0.27 -0.00 0.45 -0.69 0.00 0.00 178.15 178.28 5r1r h HIS 59 N 1.21 0.34 -0.21 1.37 3.86 -1.19 -0.38 115.15 120.15 5r1r h HIS 59 Ca 0.31 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 5r1r h HIS 59 Cb 0.00 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 5r1r h HIS 59 CO 0.01 0.52 0.10 0.93 0.86 0.00 0.00 177.93 180.35 5r1r h GLU 60 N 0.05 0.21 0.20 2.45 4.39 -1.08 0.29 114.58 121.09 5r1r h GLU 60 Ca 0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 5r1r h GLU 60 Cb 0.39 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 5r1r h GLU 60 CO 0.01 0.14 -0.16 1.15 -1.16 0.00 0.00 179.01 178.99 5r1r h THR 61 N 0.22 0.66 -0.91 1.13 2.02 -0.98 0.19 112.91 115.24 5r1r h THR 61 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 5r1r h THR 61 Cb 0.02 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 5r1r h THR 61 CO -0.06 0.00 0.54 0.16 0.37 0.00 0.00 175.52 176.53 5r1r h ILE 62 N -0.37 1.25 0.71 3.11 3.07 -0.83 0.43 117.51 124.88 5r1r h ILE 62 Ca -0.01 -0.55 -0.03 0.00 1.55 0.00 0.00 64.86 65.83 5r1r h ILE 62 Cb 0.33 -0.03 -0.00 0.00 -0.27 0.00 0.00 36.82 36.85 5r1r h ILE 62 CO -0.01 0.26 -0.44 0.40 -1.05 0.00 0.00 178.15 177.31 5r1r h ILE 63 N 1.25 0.11 -0.11 0.16 2.04 -0.07 -1.85 117.51 119.04 5r1r h ILE 63 Ca 0.33 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.23 5r1r h ILE 63 Cb -0.05 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.09 5r1r h ILE 63 CO -0.06 0.00 -0.20 0.11 0.00 0.00 0.00 178.15 178.00 5r1r h LYS 64 N -1.08 -0.26 -0.95 2.37 1.57 -0.32 0.55 116.57 118.45 5r1r h LYS 64 Ca -0.09 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.87 5r1r h LYS 64 Cb 0.87 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 33.08 5r1r h LYS 64 CO 0.09 -0.17 -0.32 0.00 -0.57 0.00 0.00 179.45 178.47 5r1r h ALA 65 N 0.72 0.33 -0.23 3.86 0.00 -0.83 0.71 119.26 123.82 5r1r h ALA 65 Ca 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 5r1r h ALA 65 Cb 0.40 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 5r1r h ALA 65 CO -0.27 -0.53 0.12 0.00 0.00 0.00 0.00 179.25 178.57 5r1r h ALA 66 N 1.58 0.30 -0.66 0.00 0.00 -0.36 -3.08 119.26 117.03 5r1r h ALA 66 Ca 0.38 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.27 5r1r h ALA 66 Cb 0.64 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 5r1r h ALA 66 CO -0.96 -0.16 0.38 0.00 0.00 0.00 0.00 179.25 178.51 5r1r h ALA 67 N 0.99 0.88 0.00 0.00 0.00 0.19 -1.83 119.26 119.50 5r1r h ALA 67 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 5r1r h ALA 67 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 5r1r h ALA 67 CO -0.01 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 5r1r n ASP 68 N -4.76 0.41 -0.25 0.00 8.00 0.20 -1.63 116.55 118.53 5r1r n ASP 68 Ca 0.08 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.35 5r1r n ASP 68 Cb 0.15 -0.72 0.19 0.00 -0.02 0.00 0.00 41.12 40.71 5r1r n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 5r1r n LEU 69 N -2.02 1.22 -4.64 0.64 4.77 -0.69 -4.92 117.00 111.36 5r1r n LEU 69 Ca 0.00 -0.39 -0.48 0.00 -0.03 0.00 0.00 56.01 55.11 5r1r n LEU 69 Cb 0.09 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 5r1r n LEU 69 CO 0.11 0.24 1.10 -0.38 -1.33 0.00 0.00 177.39 177.13 5r1r n ILE 70 N -0.72 0.01 -3.90 -0.08 5.41 -0.65 -4.79 119.36 114.65 5r1r n ILE 70 Ca 0.09 -0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.76 5r1r n ILE 70 Cb 0.38 -1.30 -0.03 0.00 -0.71 0.00 0.00 39.64 37.98 5r1r n ILE 70 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 5r1r s SER 71 N 0.84 -0.18 0.24 4.38 1.04 -1.12 -4.99 113.70 113.91 5r1r s SER 71 Ca 0.81 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 5r1r s SER 71 Cb -0.77 0.70 0.26 0.00 0.10 0.00 0.00 66.02 66.31 5r1r s SER 71 CO 0.41 -1.31 1.72 0.08 0.98 0.00 0.00 173.24 175.12 5r1r h ARG 72 N 2.07 0.84 0.00 4.02 0.11 -1.95 -2.62 114.38 116.84 5r1r h ARG 72 Ca -0.22 -0.25 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 5r1r h ARG 72 Cb 1.25 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 5r1r h ARG 72 CO 0.28 0.86 -0.13 -0.44 0.10 0.00 0.00 179.97 180.64 5r1r h ASP 73 N 0.77 0.00 -2.21 0.08 3.32 -1.96 -3.37 116.42 113.05 5r1r h ASP 73 Ca 0.14 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.61 5r1r h ASP 73 Cb 0.52 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.67 5r1r h ASP 73 CO 0.03 0.13 -0.97 0.00 -1.72 0.00 0.00 179.24 176.71 5r1r n ALA 74 N -2.14 2.83 0.14 3.45 0.00 -1.06 -4.97 120.51 118.76 5r1r n ALA 74 Ca 0.03 -3.55 0.01 0.00 0.00 0.00 0.00 53.44 49.92 5r1r n ALA 74 Cb 0.54 -0.82 0.14 0.00 0.00 0.00 0.00 19.45 19.31 5r1r n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 5r1r h PRO 75 N 4.61 0.00 0.00 0.00 0.14 -1.64 -2.97 132.00 132.14 5r1r h PRO 75 Ca 0.15 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.29 5r1r h PRO 75 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.99 5r1r h PRO 75 CO 0.50 0.60 0.00 -0.44 0.14 0.00 0.00 178.00 178.79 5r1r h ASP 76 N 0.00 0.00 -0.79 1.44 3.32 -1.89 0.11 116.42 118.61 5r1r h ASP 76 Ca -0.01 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.20 5r1r h ASP 76 Cb 1.23 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 5r1r h ASP 76 CO 0.08 0.00 0.53 1.88 -1.72 0.00 0.00 179.24 180.00 5r1r h TYR 77 N 0.00 0.52 -0.91 4.55 0.05 -1.87 0.18 116.97 119.48 5r1r h TYR 77 Ca 0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 5r1r h TYR 77 Cb 0.05 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.57 5r1r h TYR 77 CO 0.00 0.19 0.60 -0.56 -1.05 0.00 0.00 178.16 177.33 5r1r h GLN 78 N 0.43 1.05 -0.01 4.88 3.07 -1.23 0.65 115.11 123.95 5r1r h GLN 78 Ca 0.39 -0.06 -0.24 0.00 0.09 0.00 0.00 58.65 58.83 5r1r h GLN 78 Cb 0.90 -0.24 0.01 0.00 0.08 0.00 0.00 27.48 28.23 5r1r h GLN 78 CO -0.13 0.69 -0.96 1.88 0.09 0.00 0.00 178.83 180.40 5r1r h TYR 79 N 1.08 0.80 -0.42 0.06 0.05 -0.88 -0.91 116.97 116.76 5r1r h TYR 79 Ca 0.38 -0.43 0.02 0.00 0.05 0.00 0.00 58.73 58.75 5r1r h TYR 79 Cb 0.12 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 5r1r h TYR 79 CO -0.00 1.25 0.25 1.25 -1.05 0.00 0.00 178.16 179.86 5r1r h LEU 80 N 0.31 0.41 0.01 3.88 5.85 -0.64 0.25 115.31 125.39 5r1r h LEU 80 Ca -0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 5r1r h LEU 80 Cb 1.60 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.54 5r1r h LEU 80 CO 0.18 0.30 -0.01 0.00 -0.34 0.00 0.00 178.44 178.57 5r1r h ALA 81 N 1.18 -0.02 -0.19 1.25 0.00 -0.96 -1.80 119.26 118.72 5r1r h ALA 81 Ca 0.16 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.00 5r1r h ALA 81 Cb -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 5r1r h ALA 81 CO -0.07 -0.39 -0.26 0.00 0.00 0.00 0.00 179.25 178.53 5r1r h ALA 82 N 0.71 -0.22 -0.49 0.00 0.00 -0.86 0.50 119.26 118.91 5r1r h ALA 82 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 5r1r h ALA 82 Cb 0.26 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 5r1r h ALA 82 CO 0.00 -0.71 0.30 0.00 0.00 0.00 0.00 179.25 178.84 5r1r h ARG 83 N -0.30 0.59 -0.11 0.00 3.08 -0.53 0.76 114.38 117.86 5r1r h ARG 83 Ca 0.12 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.17 5r1r h ARG 83 Cb 0.48 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 5r1r h ARG 83 CO -0.36 0.39 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.74 5r1r h LEU 84 N 0.61 -0.36 -0.82 3.04 3.38 -0.49 0.86 115.31 121.53 5r1r h LEU 84 Ca 0.19 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.29 5r1r h LEU 84 Cb -0.02 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 5r1r h LEU 84 CO -0.07 -0.16 0.50 0.00 0.09 0.00 0.00 178.44 178.80 5r1r h ALA 85 N 0.92 1.12 -0.31 1.53 0.00 -0.22 -0.74 119.26 121.56 5r1r h ALA 85 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 5r1r h ALA 85 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 5r1r h ALA 85 CO -0.20 0.22 0.20 0.82 0.00 0.00 0.00 179.25 180.29 5r1r h ILE 86 N 0.90 1.10 0.42 0.00 1.08 0.13 -0.48 117.51 120.67 5r1r h ILE 86 Ca 0.36 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 5r1r h ILE 86 Cb 0.19 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 5r1r h ILE 86 CO -0.18 0.10 -0.37 0.15 -0.69 0.00 0.00 178.15 177.16 5r1r h PHE 87 N 0.41 -1.01 -0.54 1.37 3.04 -0.27 -0.61 116.94 119.33 5r1r h PHE 87 Ca 0.11 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.18 5r1r h PHE 87 Cb -0.01 0.39 -0.11 0.00 2.56 0.00 0.00 35.95 38.78 5r1r h PHE 87 CO -0.05 -0.53 -0.19 1.25 -2.02 0.00 0.00 178.31 176.77 5r1r h HIS 88 N -0.80 -0.47 -0.10 0.41 2.76 -1.01 0.67 115.15 116.61 5r1r h HIS 88 Ca -0.04 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 5r1r h HIS 88 Cb 0.70 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 5r1r h HIS 88 CO -0.19 -0.29 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.08 5r1r h LEU 89 N -0.07 0.13 0.47 0.26 3.38 -0.80 0.34 115.31 119.02 5r1r h LEU 89 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 5r1r h LEU 89 Cb 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 5r1r h LEU 89 CO -0.59 0.17 -0.22 0.03 0.09 0.00 0.00 178.44 177.91 5r1r h ARG 90 N 0.15 -0.60 -0.45 1.13 2.47 0.75 -2.28 114.38 115.53 5r1r h ARG 90 Ca 0.04 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 5r1r h ARG 90 Cb 0.11 0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 28.48 5r1r h ARG 90 CO 0.00 -0.30 -0.11 0.87 0.56 0.00 0.00 179.97 180.99 5r1r h LYS 91 N -0.90 0.00 -0.97 0.04 1.57 -1.10 0.15 116.57 115.36 5r1r h LYS 91 Ca -0.06 -0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.89 5r1r h LYS 91 Cb 0.58 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 5r1r h LYS 91 CO 0.11 0.00 0.61 -0.22 -0.57 0.00 0.00 179.45 179.38 5r1r h LYS 92 N 0.00 0.70 0.00 3.15 3.64 -0.93 0.11 116.57 123.25 5r1r h LYS 92 Ca 0.22 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.29 5r1r h LYS 92 Cb 0.33 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 5r1r h LYS 92 CO -0.46 0.46 -2.01 0.00 -2.27 0.00 0.00 179.45 175.17 5r1r n ALA 93 N -2.39 1.74 0.00 5.00 0.00 -0.32 -4.68 120.51 119.87 5r1r n ALA 93 Ca 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.69 5r1r n ALA 93 Cb 0.55 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.46 5r1r n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 5r1r n TYR 94 N -2.78 0.00 0.00 0.00 4.01 0.38 -4.88 117.16 113.88 5r1r n TYR 94 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 5r1r n TYR 94 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 5r1r n TYR 94 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5r1r n GLY 95 N 1.94 2.37 1.68 2.72 0.00 0.38 -4.96 105.19 109.32 5r1r n GLY 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 5r1r n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLN 96 N -2.00 0.29 -0.04 1.61 10.64 -1.26 -4.90 117.38 121.73 5r1r n GLN 96 Ca 0.00 -1.75 -0.12 0.00 -1.83 0.00 0.00 57.00 53.30 5r1r n GLN 96 Cb 0.00 1.36 -0.14 0.00 -0.86 0.00 0.00 30.24 30.60 5r1r n GLN 96 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 5r1r n PHE 97 N -0.35 0.78 -2.54 2.61 7.35 -1.26 -2.42 117.46 121.62 5r1r n PHE 97 Ca 0.03 0.24 -0.43 0.00 -0.76 0.00 0.00 57.45 56.53 5r1r n PHE 97 Cb 0.32 -1.13 -0.02 0.00 0.35 0.00 0.00 39.48 39.00 5r1r n PHE 97 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 5r1r s GLU 98 N -2.56 3.88 0.32 -4.13 0.41 -1.26 -4.87 118.70 110.48 5r1r s GLU 98 Ca -0.12 0.95 -0.29 0.00 -0.41 0.00 0.00 54.97 55.09 5r1r s GLU 98 Cb 0.07 -3.85 -0.12 0.00 -1.78 0.00 0.00 34.13 28.46 5r1r s GLU 98 CO 0.80 -1.17 1.54 -2.30 -0.49 0.00 0.00 175.26 173.64 5r1r n PRO 99 N 7.40 2.65 -0.75 0.39 -0.02 -1.26 -4.98 135.00 138.42 5r1r n PRO 99 Ca 0.13 0.94 -0.33 0.00 -2.02 0.00 0.00 63.50 62.22 5r1r n PRO 99 Cb 0.48 -2.69 0.14 0.00 -0.02 0.00 0.00 33.50 31.40 5r1r n PRO 99 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 5r1r n PRO 100 N 1.50 -0.86 -2.30 0.52 -0.04 -1.26 -4.92 135.00 127.64 5r1r n PRO 100 Ca 0.06 -0.22 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 5r1r n PRO 100 Cb 0.37 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 5r1r n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5r1r s ALA 101 N -2.29 3.09 0.19 0.55 0.00 -1.26 -4.82 121.76 117.21 5r1r s ALA 101 Ca 0.55 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.30 5r1r s ALA 101 Cb -0.16 -3.37 0.18 0.00 0.00 0.00 0.00 23.12 19.77 5r1r s ALA 101 CO 0.68 -0.55 1.65 1.25 0.00 0.00 0.00 175.76 178.79 5r1r h LEU 102 N 2.42 -0.42 -0.08 0.00 5.85 -1.91 -0.91 115.31 120.26 5r1r h LEU 102 Ca -0.49 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.40 5r1r h LEU 102 Cb 1.24 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 5r1r h LEU 102 CO 0.62 -0.15 -0.06 0.22 -0.34 0.00 0.00 178.44 178.73 5r1r h TYR 103 N 0.02 -0.13 -0.46 1.25 3.20 -1.92 0.51 116.97 119.44 5r1r h TYR 103 Ca 0.25 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.22 5r1r h TYR 103 Cb 0.39 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 5r1r h TYR 103 CO -0.41 -0.09 0.04 -0.44 -1.64 0.00 0.00 178.16 175.62 5r1r h ASP 104 N -0.06 -0.11 -0.01 -2.11 3.32 -1.75 0.15 116.42 115.85 5r1r h ASP 104 Ca 0.05 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 5r1r h ASP 104 Cb 0.14 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 5r1r h ASP 104 CO -0.12 -0.02 0.00 -0.74 -1.72 0.00 0.00 179.24 176.65 5r1r h HIS 105 N 0.16 0.01 -0.29 4.55 2.76 -0.83 -0.28 115.15 121.23 5r1r h HIS 105 Ca 0.23 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.44 5r1r h HIS 105 Cb 0.32 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 5r1r h HIS 105 CO -0.26 0.11 0.08 0.28 -1.30 0.00 0.00 177.93 176.84 5r1r h VAL 106 N -0.09 0.90 0.29 5.26 2.07 -0.43 -0.37 116.25 123.87 5r1r h VAL 106 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 5r1r h VAL 106 Cb 0.10 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 5r1r h VAL 106 CO -0.00 0.04 -0.38 0.58 0.02 0.00 0.00 177.57 177.83 5r1r h VAL 107 N 0.21 0.23 -0.55 2.57 2.07 -0.52 0.20 116.25 120.46 5r1r h VAL 107 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 5r1r h VAL 107 Cb 0.12 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 5r1r h VAL 107 CO -0.15 0.00 0.00 0.50 0.02 0.00 0.00 177.57 177.94 5r1r h LYS 108 N -0.72 0.12 -0.37 1.57 3.64 -0.85 -1.75 116.57 118.20 5r1r h LYS 108 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 5r1r h LYS 108 Cb 0.68 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 5r1r h LYS 108 CO -0.12 0.08 0.09 0.52 -2.27 0.00 0.00 179.45 177.75 5r1r h MET 109 N 0.12 0.55 -0.25 1.90 2.86 -0.66 -2.05 114.93 117.40 5r1r h MET 109 Ca 0.28 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.67 5r1r h MET 109 Cb 0.43 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 5r1r h MET 109 CO -0.46 0.51 -0.48 0.28 1.06 0.00 0.00 176.91 177.83 5r1r h VAL 110 N 0.54 1.30 -0.34 -2.22 2.07 -0.14 -1.31 116.25 116.15 5r1r h VAL 110 Ca 0.13 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 5r1r h VAL 110 Cb 0.22 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 5r1r h VAL 110 CO -0.00 0.53 -0.09 -0.33 0.02 0.00 0.00 177.57 177.70 5r1r h GLU 111 N 0.52 0.57 -0.00 1.57 5.08 -0.96 -2.42 114.58 118.94 5r1r h GLU 111 Ca 0.03 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 5r1r h GLU 111 Cb 1.02 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.21 5r1r h GLU 111 CO 0.10 0.66 -0.02 -1.33 -1.00 0.00 0.00 179.01 177.42 5r1r n MET 112 N -4.21 0.59 -1.10 2.33 2.81 -0.81 -4.91 117.12 111.82 5r1r n MET 112 Ca 0.01 -0.04 -0.03 0.00 -1.81 0.00 0.00 57.70 55.82 5r1r n MET 112 Cb 0.31 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 5r1r n MET 112 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 5r1r n GLY 113 N 1.23 0.64 0.09 3.03 0.00 -0.91 -4.92 105.19 104.33 5r1r n GLY 113 Ca 0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 5r1r n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 5r1r n LYS 114 N -2.57 0.63 -4.61 1.61 4.76 -0.53 -4.83 118.16 112.63 5r1r n LYS 114 Ca -0.03 0.21 -0.30 0.00 -2.87 0.00 0.00 58.31 55.32 5r1r n LYS 114 Cb 0.15 -1.76 -0.13 0.00 -1.84 0.00 0.00 35.03 31.46 5r1r n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 5r1r s TYR 115 N -2.76 2.48 0.27 2.13 2.02 -1.12 -4.41 117.35 115.96 5r1r s TYR 115 Ca -0.05 -0.30 -0.31 0.00 -0.37 0.00 0.00 57.07 56.04 5r1r s TYR 115 Cb 0.08 -1.40 -0.12 0.00 -0.40 0.00 0.00 41.96 40.12 5r1r s TYR 115 CO 0.82 0.26 1.54 -3.47 -1.57 0.00 0.00 175.55 173.13 5r1r n ASP 116 N 1.38 3.49 0.24 2.29 -0.08 0.12 -4.43 116.55 119.56 5r1r n ASP 116 Ca -0.16 1.14 0.12 0.00 -1.51 0.00 0.00 54.79 54.37 5r1r n ASP 116 Cb 0.52 -1.54 0.55 0.00 2.34 0.00 0.00 41.12 42.99 5r1r n ASP 116 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 5r1r h ASN 117 N 4.71 0.00 0.00 1.67 7.08 -1.91 -2.68 115.58 124.45 5r1r h ASN 117 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 5r1r h ASN 117 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 5r1r h ASN 117 CO 0.79 0.17 0.04 0.45 -2.08 0.00 0.00 177.43 176.80 5r1r h HIS 118 N 0.00 0.00 -0.81 4.14 3.86 -1.99 -2.12 115.15 118.23 5r1r h HIS 118 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 5r1r h HIS 118 Cb 0.64 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 5r1r h HIS 118 CO 0.00 0.00 0.44 -0.07 0.86 0.00 0.00 177.93 179.16 5r1r h LEU 119 N 0.00 1.01 -0.13 2.43 3.38 -1.86 0.35 115.31 120.49 5r1r h LEU 119 Ca 0.00 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 5r1r h LEU 119 Cb 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 5r1r h LEU 119 CO 0.00 0.82 -1.00 -0.07 0.09 0.00 0.00 178.44 178.29 5r1r h LEU 120 N 1.13 0.40 0.17 1.67 3.38 -1.61 -2.23 115.31 118.21 5r1r h LEU 120 Ca 0.28 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 5r1r h LEU 120 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 5r1r h LEU 120 CO -0.05 1.18 -0.08 -0.33 0.09 0.00 0.00 178.44 179.25 5r1r h GLU 121 N 0.14 -0.23 0.00 1.13 5.08 -1.33 -3.20 114.58 116.17 5r1r h GLU 121 Ca -0.08 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 5r1r h GLU 121 Cb 1.66 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 5r1r h GLU 121 CO 0.16 -0.02 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.41 5r1r h ASP 122 N -0.40 0.00 -4.36 1.42 3.32 -0.37 -3.44 116.42 112.59 5r1r h ASP 122 Ca -0.02 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.44 5r1r h ASP 122 Cb 0.31 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.58 5r1r h ASP 122 CO 0.04 0.31 -0.85 -0.31 -1.72 0.00 0.00 179.24 176.71 5r1r s TYR 123 N -4.16 1.79 0.40 4.55 2.02 -0.84 -5.08 117.35 116.04 5r1r s TYR 123 Ca -0.03 -0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 56.23 5r1r s TYR 123 Cb 0.14 -1.12 -0.06 0.00 -0.40 0.00 0.00 41.96 40.52 5r1r s TYR 123 CO 0.69 0.01 0.75 0.95 -1.57 0.00 0.00 175.55 176.38 5r1r s THR 124 N -0.58 4.83 0.27 -0.71 -4.23 -1.26 -4.63 115.64 109.33 5r1r s THR 124 Ca 0.08 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 5r1r s THR 124 Cb -0.08 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 70.27 5r1r s THR 124 CO 0.00 -0.55 1.70 -0.08 -0.54 0.00 0.00 174.62 175.16 5r1r h GLU 125 N 1.16 0.38 -0.90 3.99 4.81 -1.99 0.69 114.58 122.72 5r1r h GLU 125 Ca -0.47 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 5r1r h GLU 125 Cb 1.19 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 5r1r h GLU 125 CO 0.64 0.25 0.59 1.49 -0.73 0.00 0.00 179.01 181.24 5r1r h GLU 126 N 0.39 1.01 -0.46 1.92 4.57 -1.98 0.93 114.58 120.96 5r1r h GLU 126 Ca 0.50 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.51 5r1r h GLU 126 Cb 0.89 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 5r1r h GLU 126 CO -0.50 0.67 -0.12 0.93 -1.18 0.00 0.00 179.01 178.81 5r1r h GLU 127 N 1.04 0.90 -0.56 1.92 5.08 -0.02 -1.98 114.58 120.97 5r1r h GLU 127 Ca 0.38 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 5r1r h GLU 127 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 5r1r h GLU 127 CO -0.14 1.00 0.01 0.74 -1.00 0.00 0.00 179.01 179.63 5r1r h PHE 128 N 0.75 1.03 -0.88 4.33 0.04 -0.74 -1.87 116.94 119.60 5r1r h PHE 128 Ca 0.12 -0.16 0.10 0.00 2.80 0.00 0.00 57.97 60.83 5r1r h PHE 128 Cb 0.68 -0.28 -0.08 0.00 2.20 0.00 0.00 35.95 38.47 5r1r h PHE 128 CO 0.05 0.92 0.52 0.87 -0.60 0.00 0.00 178.31 180.07 5r1r h LYS 129 N 0.89 0.83 -0.27 1.51 1.57 -0.52 -1.61 116.57 118.97 5r1r h LYS 129 Ca 0.17 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 5r1r h LYS 129 Cb 0.50 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 5r1r h LYS 129 CO 0.02 0.55 -0.44 0.37 -0.57 0.00 0.00 179.45 179.38 5r1r h GLN 130 N 0.86 0.77 -0.75 3.15 4.15 -0.85 -3.21 115.11 119.24 5r1r h GLN 130 Ca 0.43 -0.47 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 5r1r h GLN 130 Cb 0.39 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 5r1r h GLN 130 CO -0.25 1.10 0.26 0.52 -1.93 0.00 0.00 178.83 178.53 5r1r h MET 131 N 0.52 1.15 -0.86 1.69 2.86 -0.88 -2.08 114.93 117.34 5r1r h MET 131 Ca 0.02 -0.23 0.18 0.00 -2.06 0.00 0.00 59.70 57.61 5r1r h MET 131 Cb 1.04 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.47 5r1r h MET 131 CO 0.10 0.97 0.57 0.22 1.06 0.00 0.00 176.91 179.83 5r1r h ASP 132 N 1.11 0.43 0.70 1.22 1.82 -1.31 0.58 116.42 120.96 5r1r h ASP 132 Ca 0.25 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 5r1r h ASP 132 Cb 0.27 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 5r1r h ASP 132 CO -0.01 0.19 -0.10 0.71 -1.61 0.00 0.00 179.24 178.41 5r1r h THR 133 N 0.44 0.32 0.13 2.25 1.35 -1.38 -2.89 112.91 113.13 5r1r h THR 133 Ca 0.44 -0.65 -0.22 0.00 -0.55 0.00 0.00 66.41 65.43 5r1r h THR 133 Cb 1.04 1.49 0.02 0.00 -1.73 0.00 0.00 68.15 68.98 5r1r h THR 133 CO -0.17 0.10 -0.96 -0.26 -0.25 0.00 0.00 175.52 173.98 5r1r h PHE 134 N 0.00 0.71 -2.52 4.73 0.04 0.18 -3.46 116.94 116.61 5r1r h PHE 134 Ca -0.00 -0.48 -0.60 0.00 2.80 0.00 0.00 57.97 59.68 5r1r h PHE 134 Cb 0.48 -0.04 0.13 0.00 2.20 0.00 0.00 35.95 38.71 5r1r h PHE 134 CO 0.00 1.35 -0.05 -0.89 -0.60 0.00 0.00 178.31 178.12 5r1r n ILE 135 N -4.02 2.08 -3.72 -0.55 5.41 -0.94 -5.00 119.36 112.62 5r1r n ILE 135 Ca -0.14 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.82 5r1r n ILE 135 Cb 0.87 -0.85 -0.15 0.00 -0.71 0.00 0.00 39.64 38.80 5r1r n ILE 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 5r1r s ASP 136 N -0.76 3.97 0.57 4.38 -1.08 -1.26 -5.00 116.67 117.50 5r1r s ASP 136 Ca 0.62 -1.70 0.36 0.00 -0.52 0.00 0.00 52.55 51.30 5r1r s ASP 136 Cb -0.64 -0.85 1.62 0.00 -1.46 0.00 0.00 42.92 41.58 5r1r s ASP 136 CO 0.58 -0.41 2.08 0.45 0.52 0.00 0.00 175.17 178.40 5r1r h HIS 137 N 7.99 0.00 -0.05 -5.34 3.86 -1.97 -2.10 115.15 117.55 5r1r h HIS 137 Ca -0.13 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 5r1r h HIS 137 Cb 1.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.48 5r1r h HIS 137 CO 0.37 0.02 0.06 -0.44 0.86 0.00 0.00 177.93 178.79 5r1r h ASP 138 N 0.00 0.00 -0.06 2.45 3.32 -2.03 0.13 116.42 120.23 5r1r h ASP 138 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 5r1r h ASP 138 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 5r1r h ASP 138 CO 0.00 0.00 0.08 0.03 -1.72 0.00 0.00 179.24 177.64 5r1r h ARG 139 N 0.00 0.00 -0.39 3.56 3.08 -1.78 -0.08 114.38 118.77 5r1r h ARG 139 Ca 0.02 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.19 5r1r h ARG 139 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 5r1r h ARG 139 CO -0.00 0.00 0.29 -0.44 -1.07 0.00 0.00 179.97 178.75 5r1r h ASP 140 N 0.00 0.00 0.20 7.04 3.32 -0.95 0.11 116.42 126.15 5r1r h ASP 140 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 5r1r h ASP 140 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 5r1r h ASP 140 CO -0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75 5r1r n MET 141 N -4.32 0.33 0.00 3.56 2.81 -0.04 -3.34 117.12 116.11 5r1r n MET 141 Ca 0.06 0.09 0.11 0.00 -1.81 0.00 0.00 57.70 56.16 5r1r n MET 141 Cb 0.48 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.59 5r1r n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 5r1r n THR 142 N -1.19 0.00 -2.44 2.03 -2.24 0.39 -4.90 114.28 105.93 5r1r n THR 142 Ca 0.09 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 5r1r n THR 142 Cb 0.10 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 5r1r n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 5r1r s PHE 143 N -2.66 2.90 0.28 4.78 0.08 -1.21 -5.05 117.98 117.10 5r1r s PHE 143 Ca 0.17 1.57 -0.01 0.00 0.12 0.00 0.00 56.93 58.78 5r1r s PHE 143 Cb 0.18 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 5r1r s PHE 143 CO 0.64 -1.09 0.49 -1.54 -0.10 0.00 0.00 175.22 173.61 5r1r s SER 144 N -1.86 6.36 0.22 1.36 1.04 -1.26 -4.70 113.70 114.85 5r1r s SER 144 Ca 0.68 0.47 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 5r1r s SER 144 Cb -0.20 -2.04 0.20 0.00 0.10 0.00 0.00 66.02 64.09 5r1r s SER 144 CO 0.23 -0.18 1.57 0.22 0.98 0.00 0.00 173.24 176.06 5r1r h TYR 145 N 1.38 -1.00 -0.88 5.02 3.20 -1.55 0.23 116.97 123.38 5r1r h TYR 145 Ca -0.49 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.48 5r1r h TYR 145 Cb 1.20 0.56 -0.04 0.00 1.54 0.00 0.00 36.73 39.99 5r1r h TYR 145 CO 0.53 -0.40 0.58 0.00 -1.64 0.00 0.00 178.16 177.24 5r1r h ALA 146 N 1.26 1.11 -0.29 1.82 0.00 -1.88 -0.31 119.26 120.98 5r1r h ALA 146 Ca 0.31 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.21 5r1r h ALA 146 Cb 0.58 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 5r1r h ALA 146 CO -0.87 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 178.87 5r1r h ALA 147 N 1.32 0.24 -0.95 0.00 0.00 -0.76 0.69 119.26 119.80 5r1r h ALA 147 Ca 0.32 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 5r1r h ALA 147 Cb -0.13 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 5r1r h ALA 147 CO -0.07 -0.43 0.57 0.28 0.00 0.00 0.00 179.25 179.60 5r1r h VAL 148 N 0.06 1.26 -1.00 0.00 2.07 -0.25 -0.51 116.25 117.88 5r1r h VAL 148 Ca 0.14 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.15 5r1r h VAL 148 Cb 0.19 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.82 5r1r h VAL 148 CO -0.25 0.27 0.65 0.50 0.02 0.00 0.00 177.57 178.76 5r1r h LYS 149 N 1.31 1.17 0.47 1.57 1.63 0.63 0.20 116.57 123.54 5r1r h LYS 149 Ca 0.34 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 60.05 5r1r h LYS 149 Cb -0.06 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.31 5r1r h LYS 149 CO -0.06 0.77 -0.23 1.96 -3.45 0.00 0.00 179.45 178.44 5r1r h GLN 150 N 1.20 -0.61 -0.65 1.90 1.08 0.12 0.12 115.11 118.27 5r1r h GLN 150 Ca 0.42 0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.78 5r1r h GLN 150 Cb 0.11 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 27.55 5r1r h GLN 150 CO -0.15 -0.31 -0.26 -0.07 -0.95 0.00 0.00 178.83 177.08 5r1r h LEU 151 N -1.02 -0.93 -0.87 1.46 3.38 -0.86 0.27 115.31 116.75 5r1r h LEU 151 Ca -0.07 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 5r1r h LEU 151 Cb 0.58 0.51 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 5r1r h LEU 151 CO 0.11 -0.27 0.36 -0.08 0.09 0.00 0.00 178.44 178.64 5r1r h GLU 152 N -0.09 1.18 0.06 1.13 4.81 -0.62 -0.27 114.58 120.78 5r1r h GLU 152 Ca 0.28 -0.19 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 5r1r h GLU 152 Cb 0.54 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.74 5r1r h GLU 152 CO -0.70 0.93 -1.14 0.78 -0.73 0.00 0.00 179.01 178.14 5r1r h GLY 153 N 1.18 0.71 -1.38 1.92 0.00 0.64 -3.43 103.07 102.70 5r1r h GLY 153 Ca 0.27 -1.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.19 5r1r h GLY 153 CO -0.03 1.21 -0.42 0.58 0.00 0.00 0.00 176.54 177.89 5r1r n LYS 154 N -3.81 0.00 0.04 4.80 2.85 0.82 -4.98 118.16 117.89 5r1r n LYS 154 Ca -0.12 -0.86 0.00 0.00 -1.05 0.00 0.00 58.31 56.29 5r1r n LYS 154 Cb 0.93 -0.19 0.00 0.00 -0.65 0.00 0.00 35.03 35.12 5r1r n LYS 154 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 5r1r n TYR 155 N 0.07 -0.51 -1.76 5.58 4.02 -0.49 -4.66 117.16 119.42 5r1r n TYR 155 Ca -0.02 0.09 -0.41 0.00 -0.01 0.00 0.00 57.90 57.56 5r1r n TYR 155 Cb 0.71 0.25 0.01 0.00 -0.02 0.00 0.00 39.34 40.28 5r1r n TYR 155 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 5r1r n LEU 156 N -3.08 4.78 -4.68 7.72 4.77 -0.23 -4.34 117.00 121.93 5r1r n LEU 156 Ca 0.00 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.74 5r1r n LEU 156 Cb 0.16 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 39.62 5r1r n LEU 156 CO 0.00 -0.05 1.26 -0.69 -1.33 0.00 0.00 177.39 176.58 5r1r s VAL 157 N -1.15 3.44 0.26 4.08 1.01 -1.26 -4.92 120.40 121.85 5r1r s VAL 157 Ca 0.57 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 63.24 5r1r s VAL 157 Cb -0.47 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 5r1r s VAL 157 CO 0.61 -0.02 0.40 0.00 0.00 0.00 0.00 175.10 176.09 5r1r s GLN 158 N 2.96 1.54 -0.31 2.72 -2.07 -1.26 -0.68 119.66 122.56 5r1r s GLN 158 Ca 0.70 -1.44 -0.12 0.00 -1.82 0.00 0.00 55.36 52.68 5r1r s GLN 158 Cb -0.35 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 31.96 5r1r s GLN 158 CO 0.29 -0.62 0.22 1.21 -1.32 0.00 0.00 175.29 175.07 5r1r s ASN 159 N -3.09 6.03 0.22 12.60 3.84 0.91 -4.95 114.94 130.50 5r1r s ASN 159 Ca 0.28 -0.25 0.26 0.00 0.21 0.00 0.00 52.86 53.35 5r1r s ASN 159 Cb 0.01 -2.13 0.84 0.00 -0.55 0.00 0.00 41.25 39.42 5r1r s ASN 159 CO 0.12 -0.16 1.76 0.54 -2.79 0.00 0.00 177.10 176.58 5r1r n ARG 160 N 5.08 0.26 0.01 0.43 1.74 -1.26 0.03 116.66 122.94 5r1r n ARG 160 Ca -0.13 0.26 -0.01 0.00 -0.77 0.00 0.00 57.85 57.20 5r1r n ARG 160 Cb 0.51 -1.83 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 5r1r n ARG 160 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 5r1r h VAL 161 N 0.00 0.00 -0.65 1.55 2.07 -1.97 -3.37 116.25 113.88 5r1r h VAL 161 Ca 0.00 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 5r1r h VAL 161 Cb 0.67 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 5r1r h VAL 161 CO 0.00 0.00 0.32 0.71 0.02 0.00 0.00 177.57 178.62 5r1r h THR 162 N -0.25 1.21 0.00 2.57 1.35 -2.00 -3.46 112.91 112.32 5r1r h THR 162 Ca -0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 5r1r h THR 162 Cb 0.03 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 5r1r h THR 162 CO 0.01 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 5r1r n GLY 163 N -1.15 0.74 3.63 5.82 0.00 0.10 -5.05 105.19 109.29 5r1r n GLY 163 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 5r1r n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 5r1r n GLU 164 N -1.90 1.63 -4.00 1.61 1.02 -1.20 -4.69 120.64 113.12 5r1r n GLU 164 Ca 0.00 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.38 5r1r n GLU 164 Cb 0.00 -2.20 -0.10 0.00 -0.02 0.00 0.00 31.44 29.13 5r1r n GLU 164 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 5r1r s ILE 165 N 0.10 4.82 -0.75 -3.67 1.09 -1.26 -0.06 121.20 121.46 5r1r s ILE 165 Ca 0.73 -0.03 0.17 0.00 -1.10 0.00 0.00 60.65 60.43 5r1r s ILE 165 Cb -0.76 -3.17 -0.19 0.00 -1.06 0.00 0.00 42.46 37.28 5r1r s ILE 165 CO 0.49 0.46 0.69 -1.22 -0.10 0.00 0.00 174.94 175.26 5r1r n TYR 166 N 3.49 0.00 -4.26 3.97 4.01 0.14 -4.04 117.16 120.46 5r1r n TYR 166 Ca -0.17 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.38 5r1r n TYR 166 Cb 0.52 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 5r1r n TYR 166 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 5r1r s GLU 167 N -2.63 1.83 0.13 -0.72 -1.05 -1.24 -4.95 118.70 110.07 5r1r s GLU 167 Ca 0.06 -2.02 0.09 0.00 -0.15 0.00 0.00 54.97 52.95 5r1r s GLU 167 Cb 0.13 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 5r1r s GLU 167 CO 0.69 -0.69 -0.22 -1.54 0.95 0.00 0.00 175.26 174.46 5r1r s SER 168 N -3.37 2.77 0.35 0.83 1.04 -1.26 -4.87 113.70 109.19 5r1r s SER 168 Ca 0.40 -0.74 0.16 0.00 0.48 0.00 0.00 55.95 56.24 5r1r s SER 168 Cb 0.02 -0.16 1.10 0.00 0.10 0.00 0.00 66.02 67.07 5r1r s SER 168 CO 0.28 0.07 1.68 0.00 0.98 0.00 0.00 173.24 176.24 5r1r h ALA 169 N 3.83 2.04 -0.42 5.32 0.00 -2.00 -2.09 119.26 125.93 5r1r h ALA 169 Ca -0.46 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 5r1r h ALA 169 Cb 1.19 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 5r1r h ALA 169 CO 0.42 -0.62 -0.07 1.96 0.00 0.00 0.00 179.25 180.94 5r1r h GLN 170 N 0.34 0.73 -0.45 0.00 1.08 -1.94 -1.62 115.11 113.25 5r1r h GLN 170 Ca 0.72 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 57.60 5r1r h GLN 170 Cb 1.69 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 29.03 5r1r h GLN 170 CO -0.55 0.79 -0.12 0.74 -0.95 0.00 0.00 178.83 178.75 5r1r h PHE 171 N 0.67 0.91 0.34 2.96 0.04 -1.81 0.37 116.94 120.43 5r1r h PHE 171 Ca 0.12 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 5r1r h PHE 171 Cb 0.52 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 5r1r h PHE 171 CO 0.03 0.89 -0.41 1.25 -0.60 0.00 0.00 178.31 179.47 5r1r h LEU 172 N 0.74 -1.14 -0.09 1.54 6.46 -1.19 0.07 115.31 121.71 5r1r h LEU 172 Ca 0.12 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 5r1r h LEU 172 Cb 0.62 0.38 -0.06 0.00 -0.73 0.00 0.00 40.66 40.88 5r1r h LEU 172 CO 0.04 -0.51 -0.28 1.88 -0.62 0.00 0.00 178.44 178.95 5r1r h TYR 173 N -0.76 -0.76 -0.97 1.25 0.05 -1.11 0.17 116.97 114.84 5r1r h TYR 173 Ca -0.04 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.83 5r1r h TYR 173 Cb 0.68 0.35 -0.06 0.00 1.01 0.00 0.00 36.73 38.70 5r1r h TYR 173 CO -0.25 -0.37 0.63 0.97 -1.05 0.00 0.00 178.16 178.09 5r1r h ILE 174 N -0.38 1.09 -0.02 -2.88 6.09 -0.89 -0.67 117.51 119.86 5r1r h ILE 174 Ca 0.09 -0.39 -0.22 0.00 -1.37 0.00 0.00 64.86 62.97 5r1r h ILE 174 Cb 0.51 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.64 5r1r h ILE 174 CO -0.30 0.21 -0.89 -0.07 -3.07 0.00 0.00 178.15 174.03 5r1r h LEU 175 N 1.15 0.54 -0.47 2.19 3.38 -0.26 0.01 115.31 121.84 5r1r h LEU 175 Ca 0.42 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 58.02 5r1r h LEU 175 Cb 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 5r1r h LEU 175 CO -0.16 1.20 0.22 0.58 0.09 0.00 0.00 178.44 180.36 5r1r h VAL 176 N 0.25 0.93 0.28 1.22 2.07 -0.17 0.29 116.25 121.12 5r1r h VAL 176 Ca -0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 5r1r h VAL 176 Cb 1.51 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 5r1r h VAL 176 CO 0.15 0.08 -0.34 0.00 0.02 0.00 0.00 177.57 177.48 5r1r h ALA 177 N 1.27 -0.98 -0.62 1.67 0.00 -0.80 -1.98 119.26 117.82 5r1r h ALA 177 Ca 0.21 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.12 5r1r h ALA 177 Cb 0.14 0.62 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 5r1r h ALA 177 CO -0.16 -1.02 -0.29 0.00 0.00 0.00 0.00 179.25 177.78 5r1r h ALA 178 N -1.12 0.11 -0.01 0.00 0.00 -0.21 -1.46 119.26 116.57 5r1r h ALA 178 Ca -0.03 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.09 5r1r h ALA 178 Cb 0.57 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 5r1r h ALA 178 CO -0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 179.25 178.50 5r1r h LEU 180 N -0.12 0.00 -3.05 0.00 3.38 -0.69 -2.31 115.31 112.52 5r1r h LEU 180 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 5r1r h LEU 180 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 5r1r h LEU 180 CO -0.08 0.09 0.00 0.49 0.09 0.00 0.00 178.44 179.03 5r1r n PHE 181 N -3.73 0.59 -0.32 1.13 3.72 -0.61 -4.70 117.46 113.54 5r1r n PHE 181 Ca -0.02 -0.68 0.11 0.00 -0.05 0.00 0.00 57.45 56.81 5r1r n PHE 181 Cb 0.20 -0.15 0.33 0.00 -0.94 0.00 0.00 39.48 38.91 5r1r n PHE 181 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 5r1r h SER 182 N 1.67 0.76 -0.04 4.37 4.64 -0.32 -0.17 113.55 124.46 5r1r h SER 182 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 5r1r h SER 182 Cb 1.01 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 5r1r h SER 182 CO 0.09 0.36 0.00 0.59 -0.87 0.00 0.00 176.83 177.00 5r1r n ASN 183 N -4.63 0.24 -4.82 4.97 4.13 -1.26 -4.88 115.26 109.01 5r1r n ASN 183 Ca 0.20 -1.76 -0.33 0.00 1.68 0.00 0.00 54.58 54.37 5r1r n ASN 183 Cb 0.48 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 5r1r n ASN 183 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 5r1r s TYR 184 N -1.95 3.19 0.22 3.10 1.51 -0.08 -4.98 117.35 118.36 5r1r s TYR 184 Ca 0.15 1.53 -0.31 0.00 -1.01 0.00 0.00 57.07 57.42 5r1r s TYR 184 Cb 0.07 -2.93 -0.14 0.00 -0.11 0.00 0.00 41.96 38.85 5r1r s TYR 184 CO 0.11 -0.64 1.30 -0.35 -1.11 0.00 0.00 175.55 174.87 5r1r n PRO 185 N -1.38 1.71 -0.32 -1.71 -0.04 -1.26 -4.52 135.00 127.47 5r1r n PRO 185 Ca 0.08 0.61 0.22 0.00 -0.04 0.00 0.00 63.50 64.36 5r1r n PRO 185 Cb 0.53 -2.19 0.49 0.00 -0.04 0.00 0.00 33.50 32.29 5r1r n PRO 185 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5r1r h ARG 186 N 3.77 0.42 -1.00 0.54 2.47 -1.96 0.71 114.38 119.32 5r1r h ARG 186 Ca -0.44 -0.03 0.25 0.00 -1.26 0.00 0.00 59.98 58.51 5r1r h ARG 186 Cb 1.30 -0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 29.40 5r1r h ARG 186 CO 0.73 0.28 0.59 1.49 0.56 0.00 0.00 179.97 183.61 5r1r h GLU 187 N 0.43 0.53 0.00 0.04 4.81 -2.04 -3.26 114.58 115.09 5r1r h GLU 187 Ca 0.59 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 5r1r h GLU 187 Cb 1.44 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.70 5r1r h GLU 187 CO -0.31 0.35 -0.87 0.25 -0.73 0.00 0.00 179.01 177.70 5r1r n THR 188 N -4.91 0.00 -0.15 0.32 -2.24 0.02 -4.86 114.28 102.47 5r1r n THR 188 Ca 0.27 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.98 5r1r n THR 188 Cb 0.77 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 5r1r n THR 188 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 5r1r n ARG 189 N -1.36 -0.16 0.23 -0.78 0.63 0.03 -1.78 116.66 113.47 5r1r n ARG 189 Ca 0.00 0.96 0.10 0.00 -0.92 0.00 0.00 57.85 57.99 5r1r n ARG 189 Cb 0.00 -1.42 0.53 0.00 0.45 0.00 0.00 32.46 32.02 5r1r n ARG 189 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 5r1r h LEU 190 N 0.00 0.00 -0.39 6.15 3.38 -1.86 0.15 115.31 122.74 5r1r h LEU 190 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 5r1r h LEU 190 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 5r1r h LEU 190 CO -0.33 0.22 0.05 -0.61 0.09 0.00 0.00 178.44 177.86 5r1r h GLN 191 N 0.00 0.66 -0.21 1.13 4.15 -1.68 -1.76 115.11 117.39 5r1r h GLN 191 Ca -0.00 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 5r1r h GLN 191 Cb 0.62 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 5r1r h GLN 191 CO 0.03 0.72 0.09 1.88 -1.93 0.00 0.00 178.83 179.63 5r1r h TYR 192 N 0.50 0.32 -0.41 3.99 0.05 -0.76 -1.48 116.97 119.18 5r1r h TYR 192 Ca 0.12 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.96 5r1r h TYR 192 Cb 0.40 -0.10 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 5r1r h TYR 192 CO 0.03 0.34 -0.07 0.28 -1.05 0.00 0.00 178.16 177.69 5r1r h VAL 193 N 0.20 0.62 0.59 -2.88 2.07 -0.53 -1.76 116.25 114.56 5r1r h VAL 193 Ca 0.07 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 5r1r h VAL 193 Cb 0.15 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 5r1r h VAL 193 CO -0.01 0.01 -0.29 0.50 0.02 0.00 0.00 177.57 177.80 5r1r h LYS 194 N 0.03 -0.77 -0.62 1.57 3.64 -1.08 -0.90 116.57 118.45 5r1r h LYS 194 Ca 0.20 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.76 5r1r h LYS 194 Cb 0.30 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.18 5r1r h LYS 194 CO -0.39 -0.49 -0.07 0.00 -2.27 0.00 0.00 179.45 176.23 5r1r h ARG 195 N -0.86 0.06 -0.34 1.90 3.08 -0.95 0.91 114.38 118.18 5r1r h ARG 195 Ca -0.08 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 5r1r h ARG 195 Cb 0.64 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 5r1r h ARG 195 CO 0.13 0.04 -0.12 0.35 -1.07 0.00 0.00 179.97 179.30 5r1r h PHE 196 N 0.06 0.78 -0.05 3.04 3.57 -1.33 -0.77 116.94 122.24 5r1r h PHE 196 Ca 0.31 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.67 5r1r h PHE 196 Cb 0.50 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 5r1r h PHE 196 CO -0.43 0.87 -0.23 -0.92 -2.23 0.00 0.00 178.31 175.37 5r1r h TYR 197 N 0.46 -0.61 -0.03 0.41 3.20 -0.05 -0.00 116.97 120.35 5r1r h TYR 197 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 5r1r h TYR 197 Cb 0.64 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 5r1r h TYR 197 CO 0.05 -0.32 -0.48 -0.44 -1.64 0.00 0.00 178.16 175.34 5r1r h ASP 198 N -0.34 -1.50 -0.52 -2.11 3.32 -0.73 0.26 116.42 114.81 5r1r h ASP 198 Ca 0.08 0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.41 5r1r h ASP 198 Cb 0.44 0.58 -0.10 0.00 0.22 0.00 0.00 39.33 40.47 5r1r h ASP 198 CO -0.24 -0.49 -0.19 0.00 -1.72 0.00 0.00 179.24 176.60 5r1r h ALA 199 N -0.20 0.22 -0.14 3.45 0.00 -0.60 -0.40 119.26 121.59 5r1r h ALA 199 Ca 0.04 0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 5r1r h ALA 199 Cb 0.69 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.99 5r1r h ALA 199 CO -0.36 -0.51 -0.73 -0.39 0.00 0.00 0.00 179.25 177.25 5r1r h VAL 200 N -0.07 1.31 0.00 0.00 -1.51 -0.83 0.12 116.25 115.27 5r1r h VAL 200 Ca 0.25 -2.01 -0.03 0.00 -1.23 0.00 0.00 66.70 63.68 5r1r h VAL 200 Cb 0.45 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 5r1r h VAL 200 CO -0.58 0.62 -0.12 0.77 -1.23 0.00 0.00 177.57 177.04 5r1r h SER 201 N 0.45 0.00 -0.66 4.19 4.64 0.26 -1.62 113.55 120.81 5r1r h SER 201 Ca -0.04 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.05 5r1r h SER 201 Cb 1.34 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 5r1r h SER 201 CO 0.14 0.12 0.24 0.35 -0.87 0.00 0.00 176.83 176.82 5r1r n THR 202 N -3.32 2.84 -2.42 2.95 -2.24 -0.23 -4.96 114.28 106.90 5r1r n THR 202 Ca -0.00 -1.91 -0.12 0.00 -2.27 0.00 0.00 64.05 59.75 5r1r n THR 202 Cb 0.34 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 5r1r n THR 202 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 5r1r n PHE 203 N -0.53 -1.43 0.09 4.78 3.72 -0.61 -4.87 117.46 118.61 5r1r n PHE 203 Ca 0.40 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.61 5r1r n PHE 203 Cb 1.32 -2.64 -0.12 0.00 -0.94 0.00 0.00 39.48 37.10 5r1r n PHE 203 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 5r1r h LYS 204 N 0.00 0.51 -5.16 -1.08 6.56 -1.20 -3.40 116.57 112.80 5r1r h LYS 204 Ca -0.27 -0.69 -0.66 0.00 -1.06 0.00 0.00 60.65 57.96 5r1r h LYS 204 Cb 1.19 0.23 -0.29 0.00 -0.57 0.00 0.00 32.23 32.79 5r1r h LYS 204 CO 0.32 1.30 -0.78 0.42 -2.06 0.00 0.00 179.45 178.65 5r1r s ILE 205 N -2.95 2.86 0.25 1.86 1.01 -1.21 -0.64 121.20 122.38 5r1r s ILE 205 Ca -0.08 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 5r1r s ILE 205 Cb 0.06 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 5r1r s ILE 205 CO 0.91 0.50 0.49 -0.44 0.00 0.00 0.00 174.94 176.40 5r1r s SER 206 N 0.91 6.45 -0.00 3.58 0.01 0.20 -4.51 113.70 120.34 5r1r s SER 206 Ca -0.03 0.64 0.02 0.00 1.31 0.00 0.00 55.95 57.89 5r1r s SER 206 Cb -0.15 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 5r1r s SER 206 CO -0.01 -0.12 -0.08 -0.76 0.41 0.00 0.00 173.24 172.69 5r1r s LEU 207 N -3.33 2.03 0.71 2.44 1.43 -1.26 -2.23 118.68 118.46 5r1r s LEU 207 Ca 0.43 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 5r1r s LEU 207 Cb -0.11 -0.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.72 5r1r s LEU 207 CO 0.28 0.08 0.94 -0.81 0.23 0.00 0.00 176.35 177.07 5r1r n PRO 208 N 2.83 0.54 0.00 1.29 -0.04 -1.26 -4.68 135.00 133.68 5r1r n PRO 208 Ca -0.14 0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 5r1r n PRO 208 Cb 0.57 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 5r1r n PRO 208 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 5r1r h THR 209 N -0.17 0.40 -0.93 0.52 2.02 -1.97 -1.74 112.91 111.04 5r1r h THR 209 Ca -0.47 0.00 0.14 0.00 0.77 0.00 0.00 66.41 66.84 5r1r h THR 209 Cb 1.34 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 5r1r h THR 209 CO 0.47 0.00 0.59 1.55 0.37 0.00 0.00 175.52 178.50 5r1r h PRO 210 N -0.32 0.77 0.45 6.66 0.13 -1.92 0.41 132.00 138.18 5r1r h PRO 210 Ca 0.10 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 5r1r h PRO 210 Cb 0.47 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.43 5r1r h PRO 210 CO -0.31 0.51 -0.22 0.82 -0.23 0.00 0.00 178.00 178.57 5r1r h ILE 211 N 0.79 0.00 -0.98 -3.56 2.04 -1.67 -2.28 117.51 111.85 5r1r h ILE 211 Ca 0.47 -0.38 0.22 0.00 1.00 0.00 0.00 64.86 66.17 5r1r h ILE 211 Cb 0.65 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.61 5r1r h ILE 211 CO -0.23 0.00 0.56 0.24 0.00 0.00 0.00 178.15 178.72 5r1r h MET 212 N -0.98 0.59 0.00 2.37 2.86 -0.73 -1.77 114.93 117.27 5r1r h MET 212 Ca -0.06 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.35 5r1r h MET 212 Cb 0.46 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 5r1r h MET 212 CO 0.10 0.39 -1.01 0.66 1.06 0.00 0.00 176.91 178.11 5r1r h SER 213 N 0.60 0.00 0.00 1.22 4.64 -1.05 -3.43 113.55 115.54 5r1r h SER 213 Ca 0.61 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.54 5r1r h SER 213 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 5r1r h SER 213 CO -0.45 0.87 -2.16 0.61 -0.87 0.00 0.00 176.83 174.83 5r1r n GLY 214 N 1.35 -0.56 3.53 -0.77 0.00 -0.74 -4.83 105.19 103.17 5r1r n GLY 214 Ca -0.02 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 5r1r n GLY 214 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 5r1r n VAL 215 N -4.31 0.19 0.00 1.61 0.31 -0.77 -0.46 118.33 114.90 5r1r n VAL 215 Ca -0.47 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 5r1r n VAL 215 Cb 0.82 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 5r1r n VAL 215 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 5r1r n ARG 216 N 8.59 0.00 -3.10 5.55 1.85 -1.26 -4.28 116.66 124.01 5r1r n ARG 216 Ca 0.37 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 57.04 5r1r n ARG 216 Cb 0.36 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.79 5r1r n ARG 216 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 5r1r s THR 217 N -1.21 2.75 -0.73 8.89 -4.23 0.39 -0.70 115.64 120.81 5r1r s THR 217 Ca 0.00 -1.05 0.17 0.00 -1.18 0.00 0.00 61.69 59.63 5r1r s THR 217 Cb 0.00 -2.80 0.17 0.00 1.34 0.00 0.00 72.50 71.20 5r1r s THR 217 CO 0.00 0.00 1.53 -2.65 -0.54 0.00 0.00 174.62 172.96 5r1r n PRO 218 N -1.90 0.09 -1.10 3.99 -0.02 -1.26 -4.22 135.00 130.58 5r1r n PRO 218 Ca 0.09 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.65 5r1r n PRO 218 Cb 0.60 -1.68 0.20 0.00 -0.02 0.00 0.00 33.50 32.59 5r1r n PRO 218 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 5r1r s THR 219 N -3.17 1.94 0.00 3.45 -1.32 -1.26 -4.99 115.64 110.29 5r1r s THR 219 Ca 0.05 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.54 5r1r s THR 219 Cb 0.08 -2.45 0.02 0.00 -1.51 0.00 0.00 72.50 68.64 5r1r s THR 219 CO 0.28 0.00 0.83 0.54 -2.21 0.00 0.00 174.62 174.07 5r1r n ARG 220 N -4.36 0.00 -3.68 7.08 5.12 -1.26 -4.94 116.66 114.62 5r1r n ARG 220 Ca 0.06 -0.69 -0.39 0.00 -1.93 0.00 0.00 57.85 54.90 5r1r n ARG 220 Cb 0.58 -0.28 -0.11 0.00 -1.16 0.00 0.00 32.46 31.49 5r1r n ARG 220 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 5r1r s GLN 221 N 0.00 2.59 0.00 5.56 -1.52 -1.26 -1.02 119.66 124.01 5r1r s GLN 221 Ca 0.02 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.09 5r1r s GLN 221 Cb 0.02 -3.63 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 5r1r s GLN 221 CO -0.01 -0.82 0.53 1.19 -0.25 0.00 0.00 175.29 175.93 5r1r n PHE 222 N 4.86 0.00 -1.65 0.91 3.72 -1.26 -4.93 117.46 119.11 5r1r n PHE 222 Ca -0.11 -0.11 -0.47 0.00 -0.05 0.00 0.00 57.45 56.71 5r1r n PHE 222 Cb 0.44 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 5r1r n PHE 222 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 5r1r n SER 223 N -0.11 2.64 -0.11 4.37 3.41 -1.26 -4.58 113.62 117.98 5r1r n SER 223 Ca 0.00 1.11 -0.20 0.00 -0.26 0.00 0.00 58.87 59.52 5r1r n SER 223 Cb 0.13 -1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 62.61 5r1r n SER 223 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 5r1r n SER 224 N 2.90 2.02 -3.69 4.04 7.64 -1.26 -4.46 113.62 120.80 5r1r n SER 224 Ca 0.16 0.06 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 5r1r n SER 224 Cb 0.27 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 5r1r n SER 224 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5r1r s VAL 226 N -1.04 2.34 -0.17 0.00 -7.23 -0.57 -1.17 120.40 112.56 5r1r s VAL 226 Ca -0.11 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 57.80 5r1r s VAL 226 Cb -0.04 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.41 5r1r s VAL 226 CO 0.05 -0.27 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.73 5r1r s LEU 227 N -3.58 1.85 0.00 1.32 1.02 0.15 -1.64 118.68 117.81 5r1r s LEU 227 Ca 0.32 -0.71 0.06 0.00 0.02 0.00 0.00 54.13 53.82 5r1r s LEU 227 Cb -0.00 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 5r1r s LEU 227 CO 0.16 -0.15 -0.18 -0.63 0.02 0.00 0.00 176.35 175.56 5r1r s ILE 228 N 1.53 2.75 -0.18 -0.59 1.01 -0.50 -2.26 121.20 122.96 5r1r s ILE 228 Ca 0.01 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 5r1r s ILE 228 Cb -0.15 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.22 5r1r s ILE 228 CO -0.08 0.46 -0.14 -0.70 0.00 0.00 0.00 174.94 174.47 5r1r s GLU 229 N -1.09 3.18 -0.09 2.79 2.12 -1.26 -0.96 118.70 123.40 5r1r s GLU 229 Ca 0.13 -0.75 -0.18 0.00 0.36 0.00 0.00 54.97 54.53 5r1r s GLU 229 Cb -0.10 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 5r1r s GLU 229 CO 0.03 -0.11 0.48 0.00 -0.54 0.00 0.00 175.26 175.12 5r1r s GLY 231 N 0.34 1.69 -1.43 0.00 0.00 -1.26 -4.56 107.32 102.09 5r1r s GLY 231 Ca 0.26 -0.92 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 5r1r s GLY 231 CO 0.11 -0.53 2.26 1.34 0.00 0.00 0.00 173.10 176.28 5r1r n ASP 232 N -2.86 5.19 -3.61 1.64 2.03 -1.26 -4.28 116.55 113.41 5r1r n ASP 232 Ca 0.08 -2.89 -0.16 0.00 0.52 0.00 0.00 54.79 52.34 5r1r n ASP 232 Cb 0.60 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.35 5r1r n ASP 232 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 5r1r s SER 233 N 2.27 -0.62 0.24 1.67 1.04 -1.26 -4.93 113.70 112.10 5r1r s SER 233 Ca 0.49 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.82 5r1r s SER 233 Cb 0.14 0.90 0.39 0.00 0.10 0.00 0.00 66.02 67.55 5r1r s SER 233 CO -0.06 -0.41 1.78 -0.07 0.98 0.00 0.00 173.24 175.47 5r1r h LEU 234 N 4.11 0.54 -0.37 2.42 3.38 -1.98 0.19 115.31 123.60 5r1r h LEU 234 Ca -0.28 0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.83 5r1r h LEU 234 Cb 1.16 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 5r1r h LEU 234 CO 0.25 0.29 -0.22 0.44 0.09 0.00 0.00 178.44 179.29 5r1r h ASP 235 N 0.66 -0.73 -0.24 -0.43 3.32 -1.95 0.20 116.42 117.24 5r1r h ASP 235 Ca 0.39 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.56 5r1r h ASP 235 Cb 0.42 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 5r1r h ASP 235 CO -0.28 -0.25 0.01 -1.28 -1.72 0.00 0.00 179.24 175.72 5r1r h SER 236 N -0.16 0.41 -0.22 6.45 0.87 -1.27 -0.50 113.55 119.14 5r1r h SER 236 Ca 0.18 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.50 5r1r h SER 236 Cb 0.45 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 5r1r h SER 236 CO -0.47 0.61 -0.31 0.40 -0.53 0.00 0.00 176.83 176.53 5r1r h ILE 237 N 0.20 0.29 -0.16 2.23 2.04 -0.10 0.54 117.51 122.55 5r1r h ILE 237 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 5r1r h ILE 237 Cb 0.39 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 5r1r h ILE 237 CO 0.01 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.74 5r1r h ASN 238 N -0.33 -0.63 -0.45 1.72 2.35 -0.51 -0.07 115.58 117.65 5r1r h ASN 238 Ca 0.12 0.11 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 5r1r h ASN 238 Cb 0.53 0.30 -0.06 0.00 0.05 0.00 0.00 38.32 39.14 5r1r h ASN 238 CO -0.40 -0.25 0.12 0.00 -1.65 0.00 0.00 177.43 175.25 5r1r h ALA 239 N 0.79 0.51 0.39 -0.83 0.00 -0.40 0.32 119.26 120.04 5r1r h ALA 239 Ca 0.11 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 5r1r h ALA 239 Cb 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 5r1r h ALA 239 CO -0.30 -0.28 -0.44 1.15 0.00 0.00 0.00 179.25 179.37 5r1r h THR 240 N 0.27 0.12 -0.50 0.00 2.02 0.64 0.70 112.91 116.15 5r1r h THR 240 Ca 0.22 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.50 5r1r h THR 240 Cb 0.25 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 5r1r h THR 240 CO -0.26 0.00 -0.17 -1.28 0.37 0.00 0.00 175.52 174.18 5r1r h SER 241 N -0.86 -0.61 -0.50 4.18 0.87 -0.63 0.64 113.55 116.63 5r1r h SER 241 Ca -0.03 0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 5r1r h SER 241 Cb 0.78 0.37 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 5r1r h SER 241 CO -0.10 -0.21 0.19 0.28 -0.53 0.00 0.00 176.83 176.47 5r1r h SER 242 N -0.06 0.21 -0.25 6.23 0.02 0.37 -0.38 113.55 119.70 5r1r h SER 242 Ca 0.24 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 5r1r h SER 242 Cb 0.42 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 5r1r h SER 242 CO -0.55 0.15 0.10 0.00 -1.14 0.00 0.00 176.83 175.40 5r1r h ALA 243 N 1.32 0.29 -0.09 3.77 0.00 -0.08 -1.43 119.26 123.04 5r1r h ALA 243 Ca 0.24 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.21 5r1r h ALA 243 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 5r1r h ALA 243 CO -0.23 -0.30 -0.28 0.82 0.00 0.00 0.00 179.25 179.26 5r1r h ILE 244 N 0.23 0.37 -0.56 0.00 2.04 -0.18 -0.66 117.51 118.74 5r1r h ILE 244 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 5r1r h ILE 244 Cb 0.05 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 5r1r h ILE 244 CO -0.09 0.00 0.23 0.58 0.00 0.00 0.00 178.15 178.87 5r1r h VAL 245 N -0.37 0.84 -0.47 1.67 2.07 -0.71 0.25 116.25 119.52 5r1r h VAL 245 Ca 0.09 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 5r1r h VAL 245 Cb 0.50 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 5r1r h VAL 245 CO -0.30 0.08 0.26 0.11 0.02 0.00 0.00 177.57 177.74 5r1r h LYS 246 N 0.44 0.66 -0.12 1.57 1.79 -0.44 -2.59 116.57 117.88 5r1r h LYS 246 Ca 0.27 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.54 5r1r h LYS 246 Cb 0.28 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 5r1r h LYS 246 CO -0.25 0.51 -0.49 1.88 -1.08 0.00 0.00 179.45 180.03 5r1r h TYR 247 N 0.62 0.37 0.00 -1.35 0.05 -0.26 -2.93 116.97 113.47 5r1r h TYR 247 Ca 0.17 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 5r1r h TYR 247 Cb 0.04 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 5r1r h TYR 247 CO -0.02 0.73 -0.40 -0.39 -1.05 0.00 0.00 178.16 177.03 5r1r h VAL 248 N 0.24 0.86 0.00 -2.88 -1.51 -0.43 -1.99 116.25 110.55 5r1r h VAL 248 Ca 0.01 -1.68 -0.01 0.00 -1.23 0.00 0.00 66.70 63.80 5r1r h VAL 248 Cb 0.95 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 5r1r h VAL 248 CO 0.08 0.39 -0.03 0.77 -1.23 0.00 0.00 177.57 177.55 5r1r h SER 249 N 0.00 0.00 -0.47 4.19 4.64 -1.27 0.17 113.55 120.80 5r1r h SER 249 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5r1r h SER 249 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 5r1r h SER 249 CO 0.05 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 5r1r n GLN 250 N -3.56 4.25 -1.04 4.77 6.02 -0.77 -4.97 117.38 122.07 5r1r n GLN 250 Ca -0.02 -3.06 -0.01 0.00 -0.01 0.00 0.00 57.00 53.89 5r1r n GLN 250 Cb 0.13 -2.13 -0.01 0.00 1.02 0.00 0.00 30.24 29.26 5r1r n GLN 250 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 5r1r n ARG 251 N 0.24 -0.54 -2.90 -1.09 1.74 0.59 -4.88 116.66 109.83 5r1r n ARG 251 Ca 0.26 0.28 -0.33 0.00 -0.77 0.00 0.00 57.85 57.29 5r1r n ARG 251 Cb 1.10 -3.79 -0.07 0.00 -1.02 0.00 0.00 32.46 28.68 5r1r n ARG 251 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5r1r s ALA 252 N -1.84 3.11 0.04 7.54 0.00 -1.06 -4.93 121.76 124.63 5r1r s ALA 252 Ca 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 5r1r s ALA 252 Cb 0.00 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 5r1r s ALA 252 CO 0.00 0.18 0.60 0.20 0.00 0.00 0.00 175.76 176.74 5r1r s GLY 253 N -2.20 2.66 -0.11 0.00 0.00 0.10 -4.57 107.32 103.20 5r1r s GLY 253 Ca 0.60 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.35 5r1r s GLY 253 CO 0.14 0.64 -0.02 -0.42 0.00 0.00 0.00 173.10 173.45 5r1r s ILE 254 N -0.64 4.14 -0.20 0.90 -1.09 -0.51 -1.52 121.20 122.28 5r1r s ILE 254 Ca 0.31 -0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 58.42 5r1r s ILE 254 Cb -0.19 -2.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 5r1r s ILE 254 CO 0.19 0.56 -0.13 -0.83 -1.23 0.00 0.00 174.94 173.50 5r1r s GLY 255 N -0.36 1.50 -0.12 6.18 0.00 -0.65 -0.93 107.32 112.93 5r1r s GLY 255 Ca 0.07 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 5r1r s GLY 255 CO 0.02 0.36 -0.12 -0.42 0.00 0.00 0.00 173.10 172.94 5r1r s ILE 256 N 1.37 3.15 -0.36 0.90 1.01 0.16 -1.42 121.20 126.01 5r1r s ILE 256 Ca 0.05 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 5r1r s ILE 256 Cb -0.14 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.02 5r1r s ILE 256 CO -0.08 0.53 0.23 0.21 0.00 0.00 0.00 174.94 175.82 5r1r s ASN 257 N 0.23 5.86 -0.15 3.58 2.47 -0.13 -0.67 114.94 126.12 5r1r s ASN 257 Ca -0.08 -0.76 0.14 0.00 0.42 0.00 0.00 52.86 52.59 5r1r s ASN 257 Cb -0.15 -2.08 0.35 0.00 -1.45 0.00 0.00 41.25 37.93 5r1r s ASN 257 CO 0.05 -0.33 1.18 0.00 -3.72 0.00 0.00 177.10 174.28 5r1r n ALA 258 N 5.06 2.99 0.16 1.71 0.00 -0.93 -0.78 120.51 128.72 5r1r n ALA 258 Ca -0.12 -2.86 0.02 0.00 0.00 0.00 0.00 53.44 50.48 5r1r n ALA 258 Cb 0.48 -0.41 0.35 0.00 0.00 0.00 0.00 19.45 19.86 5r1r n ALA 258 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 5r1r h GLY 259 N 0.63 0.08 1.48 0.00 0.00 -1.81 -3.05 103.07 100.40 5r1r h GLY 259 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.24 5r1r h GLY 259 CO 0.01 0.06 -0.06 0.54 0.00 0.00 0.00 176.54 177.09 5r1r n ARG 260 N -4.12 0.35 -1.79 4.80 1.74 -1.26 -4.79 116.66 111.59 5r1r n ARG 260 Ca -0.02 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 5r1r n ARG 260 Cb 0.39 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 5r1r n ARG 260 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 5r1r s ILE 261 N -2.69 3.22 0.51 0.55 1.01 -1.15 -4.47 121.20 118.17 5r1r s ILE 261 Ca 0.24 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 5r1r s ILE 261 Cb 0.20 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.41 5r1r s ILE 261 CO 0.50 -0.03 1.08 -2.11 0.00 0.00 0.00 174.94 174.37 5r1r n ARG 262 N 7.52 1.32 -1.24 2.79 1.85 -1.26 -4.78 116.66 122.86 5r1r n ARG 262 Ca 0.20 0.48 -0.31 0.00 -1.00 0.00 0.00 57.85 57.22 5r1r n ARG 262 Cb 0.42 -2.21 0.10 0.00 -1.05 0.00 0.00 32.46 29.72 5r1r n ARG 262 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 5r1r s ALA 263 N -1.36 2.13 0.23 2.89 0.00 -1.26 -4.16 121.76 120.23 5r1r s ALA 263 Ca 0.69 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 5r1r s ALA 263 Cb -0.48 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.27 5r1r s ALA 263 CO 0.52 -1.88 1.69 -1.17 0.00 0.00 0.00 175.76 174.93 5r1r s LEU 264 N -5.98 4.36 0.00 0.00 2.96 -1.26 -2.40 118.68 116.36 5r1r s LEU 264 Ca 0.62 2.90 0.00 0.00 -0.22 0.00 0.00 54.13 57.42 5r1r s LEU 264 Cb -0.17 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.91 5r1r s LEU 264 CO 0.56 -0.96 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 5r1r n GLY 265 N 3.48 2.16 3.53 7.98 0.00 -0.06 -4.93 105.19 117.35 5r1r n GLY 265 Ca 0.14 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 5r1r n GLY 265 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5r1r n SER 266 N 0.09 -0.42 -4.77 1.61 7.64 -1.01 -4.91 113.62 111.85 5r1r n SER 266 Ca 0.00 0.65 -0.40 0.00 1.01 0.00 0.00 58.87 60.13 5r1r n SER 266 Cb 0.00 -1.29 -0.00 0.00 -1.01 0.00 0.00 64.21 61.91 5r1r n SER 266 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 5r1r s PRO 267 N -2.88 4.02 0.00 1.43 0.04 -1.26 -3.95 135.00 132.40 5r1r s PRO 267 Ca 0.70 2.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.86 5r1r s PRO 267 Cb -0.36 -2.87 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 5r1r s PRO 267 CO 0.54 -0.55 1.97 -1.50 0.04 0.00 0.00 177.00 177.50 5r1r s ILE 268 N -1.16 3.06 -1.33 0.56 2.07 -1.26 -4.80 121.20 118.34 5r1r s ILE 268 Ca 0.55 0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.69 5r1r s ILE 268 Cb -0.44 -3.05 0.06 0.00 0.13 0.00 0.00 42.46 39.16 5r1r s ILE 268 CO 0.58 -0.01 1.85 -1.14 -1.91 0.00 0.00 174.94 174.31 5r1r n ARG 269 N 7.65 3.06 -3.77 3.50 3.00 -1.05 -4.59 116.66 124.46 5r1r n ARG 269 Ca 0.21 -3.10 -0.25 0.00 -0.00 0.00 0.00 57.85 54.71 5r1r n ARG 269 Cb 0.42 -3.46 0.00 0.00 0.00 0.00 0.00 32.46 29.42 5r1r n ARG 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 5r1r n GLY 270 N 5.13 -1.23 0.00 5.14 0.00 -1.26 -3.11 105.19 109.86 5r1r n GLY 270 Ca 0.50 0.63 0.00 0.00 0.00 0.00 0.00 46.02 47.14 5r1r n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLY 271 N -1.56 3.00 3.62 -0.02 0.00 -1.26 -5.05 105.19 103.92 5r1r n GLY 271 Ca -0.31 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 5r1r n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5r1r s GLU 272 N 0.00 3.88 -1.06 1.61 2.02 -1.18 -4.97 118.70 118.99 5r1r s GLU 272 Ca 0.00 0.79 -0.15 0.00 0.02 0.00 0.00 54.97 55.63 5r1r s GLU 272 Cb 0.00 -3.83 0.18 0.00 0.10 0.00 0.00 34.13 30.58 5r1r s GLU 272 CO 0.00 -1.15 1.21 0.00 0.02 0.00 0.00 175.26 175.34 5r1r s ALA 273 N 4.05 3.93 -1.08 5.21 0.00 -1.26 -2.54 121.76 130.08 5r1r s ALA 273 Ca 0.46 -3.25 0.16 0.00 0.00 0.00 0.00 51.96 49.33 5r1r s ALA 273 Cb -0.10 -3.94 0.67 0.00 0.00 0.00 0.00 23.12 19.75 5r1r s ALA 273 CO 0.24 -2.69 1.56 1.19 0.00 0.00 0.00 175.76 176.06 5r1r n PHE 274 N 5.27 1.43 -0.28 0.00 3.01 -1.26 -4.18 117.46 121.45 5r1r n PHE 274 Ca 0.28 -0.56 0.08 0.00 1.01 0.00 0.00 57.45 58.26 5r1r n PHE 274 Cb 0.45 -0.26 0.22 0.00 -0.01 0.00 0.00 39.48 39.88 5r1r n PHE 274 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 5r1r h HIS 275 N 3.70 0.60 0.00 1.38 3.86 -1.86 -0.63 115.15 122.20 5r1r h HIS 275 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 5r1r h HIS 275 Cb 1.41 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.74 5r1r h HIS 275 CO 0.74 0.06 0.00 0.25 0.86 0.00 0.00 177.93 179.84 5r1r n THR 276 N -4.99 0.78 -2.57 2.45 -2.24 -1.26 -0.88 114.28 105.57 5r1r n THR 276 Ca 0.17 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 5r1r n THR 276 Cb 0.48 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 5r1r n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5r1r n GLY 277 N 0.23 -1.96 0.24 3.38 0.00 -0.24 -4.63 105.19 102.21 5r1r n GLY 277 Ca 0.03 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 5r1r n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5r1r h ILE 279 N 0.64 0.26 -1.01 0.00 1.08 -1.97 -1.29 117.51 115.22 5r1r h ILE 279 Ca 0.11 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.82 5r1r h ILE 279 Cb 0.64 0.26 -0.12 0.00 -3.07 0.00 0.00 36.82 34.53 5r1r h ILE 279 CO 0.04 0.00 0.61 -0.65 -0.69 0.00 0.00 178.15 177.46 5r1r h PRO 280 N -0.56 0.57 -0.02 2.37 0.11 -1.85 0.24 132.00 132.85 5r1r h PRO 280 Ca 0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 5r1r h PRO 280 Cb 0.61 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 5r1r h PRO 280 CO -0.22 0.37 -0.03 0.74 -0.21 0.00 0.00 178.00 178.65 5r1r h PHE 281 N 0.58 0.07 -0.63 0.65 0.04 -1.66 -2.61 116.94 113.39 5r1r h PHE 281 Ca 0.63 -0.02 0.13 0.00 2.80 0.00 0.00 57.97 61.51 5r1r h PHE 281 Cb 1.22 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 39.25 5r1r h PHE 281 CO -0.01 0.59 -0.01 1.88 -0.60 0.00 0.00 178.31 180.17 5r1r h TYR 282 N -0.46 -0.05 -0.91 -0.55 -1.99 0.24 0.46 116.97 113.71 5r1r h TYR 282 Ca 0.00 0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.90 5r1r h TYR 282 Cb 0.58 0.12 -0.08 0.00 2.00 0.00 0.00 36.73 39.35 5r1r h TYR 282 CO 0.11 -0.17 0.53 0.87 -0.00 0.00 0.00 178.16 179.50 5r1r h LYS 283 N 0.11 0.81 -0.70 4.88 1.57 -0.66 0.12 116.57 122.70 5r1r h LYS 283 Ca 0.33 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 5r1r h LYS 283 Cb 0.53 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 5r1r h LYS 283 CO -0.54 0.53 0.18 1.25 -0.57 0.00 0.00 179.45 180.30 5r1r h HIS 284 N 0.83 1.16 -0.48 -1.35 2.76 0.15 -1.24 115.15 116.99 5r1r h HIS 284 Ca 0.46 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.42 5r1r h HIS 284 Cb 0.50 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 5r1r h HIS 284 CO -0.04 0.94 -0.00 0.74 -1.30 0.00 0.00 177.93 178.26 5r1r h PHE 285 N 1.04 0.92 0.12 5.26 0.04 0.12 -1.48 116.94 122.96 5r1r h PHE 285 Ca 0.22 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.85 5r1r h PHE 285 Cb 0.35 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 5r1r h PHE 285 CO 0.03 0.88 -0.27 0.37 -0.60 0.00 0.00 178.31 178.72 5r1r h GLN 286 N 0.70 -0.46 -0.88 1.51 4.15 -0.62 0.80 115.11 120.31 5r1r h GLN 286 Ca 0.13 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.69 5r1r h GLN 286 Cb 0.51 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 5r1r h GLN 286 CO 0.03 -0.31 0.57 1.79 -1.93 0.00 0.00 178.83 178.98 5r1r h THR 287 N -0.48 0.94 -0.06 2.39 1.35 -1.04 0.18 112.91 116.19 5r1r h THR 287 Ca 0.03 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.61 5r1r h THR 287 Cb 0.50 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 5r1r h THR 287 CO -0.15 0.15 -0.00 0.00 -0.25 0.00 0.00 175.52 175.27 5r1r h ALA 288 N 1.57 0.05 -0.78 6.62 0.00 -0.28 -0.12 119.26 126.32 5r1r h ALA 288 Ca 0.41 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.38 5r1r h ALA 288 Cb 0.46 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 5r1r h ALA 288 CO -0.18 -0.48 0.49 0.28 0.00 0.00 0.00 179.25 179.36 5r1r h VAL 289 N 0.02 1.09 -0.34 0.00 2.07 0.29 -2.24 116.25 117.13 5r1r h VAL 289 Ca 0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.23 5r1r h VAL 289 Cb 0.04 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 5r1r h VAL 289 CO -0.05 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.00 5r1r n LYS 290 N -4.63 1.88 -0.04 1.57 4.01 0.38 -4.52 118.16 116.81 5r1r n LYS 290 Ca 0.10 -1.36 0.11 0.00 -0.51 0.00 0.00 58.31 56.65 5r1r n LYS 290 Cb 0.11 -1.33 0.51 0.00 -0.51 0.00 0.00 35.03 33.82 5r1r n LYS 290 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 5r1r h SER 291 N 2.32 0.33 -1.66 4.39 4.64 -0.37 -2.86 113.55 120.34 5r1r h SER 291 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.69 5r1r h SER 291 Cb 0.53 -0.07 -0.38 0.00 -0.31 0.00 0.00 62.40 62.17 5r1r h SER 291 CO 0.00 0.21 -0.28 0.00 -0.87 0.00 0.00 176.83 175.89 5r1r s SER 293 N -2.92 -0.04 0.00 0.00 1.04 -1.08 -4.91 113.70 105.78 5r1r s SER 293 Ca 0.49 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.13 5r1r s SER 293 Cb 0.41 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.63 5r1r s SER 293 CO -0.24 -0.14 0.00 0.00 0.98 0.00 0.00 173.24 173.83 5r1r n GLN 294 N 4.21 0.00 -0.05 4.02 3.00 -1.23 -1.73 117.38 125.60 5r1r n GLN 294 Ca -0.27 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.67 5r1r n GLN 294 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.65 5r1r n GLN 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 5r1r n GLY 295 N 0.00 -0.59 0.00 1.08 0.00 -1.26 -4.94 105.19 99.48 5r1r n GLY 295 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 5r1r n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLY 296 N 2.21 -0.53 0.00 -0.02 0.00 -0.70 -4.98 105.19 101.17 5r1r n GLY 296 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 5r1r n GLY 296 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 5r1r n VAL 297 N 0.00 0.00 -2.84 1.61 0.24 -1.26 -4.92 118.33 111.15 5r1r n VAL 297 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 5r1r n VAL 297 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 5r1r n VAL 297 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 5r1r s ARG 298 N -1.00 3.13 0.00 7.34 3.52 -1.26 -4.87 118.95 125.81 5r1r s ARG 298 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 5r1r s ARG 298 Cb 0.00 -4.21 0.00 0.00 -1.56 0.00 0.00 34.95 29.18 5r1r s ARG 298 CO 0.00 -1.80 0.00 0.41 -0.81 0.00 0.00 175.30 173.10 5r1r n GLY 299 N 5.31 2.24 1.34 8.12 0.00 -1.26 -3.47 105.19 117.47 5r1r n GLY 299 Ca -0.03 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.02 5r1r n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5r1r n GLY 300 N 1.06 -2.59 3.45 -0.02 0.00 -1.26 -4.79 105.19 101.05 5r1r n GLY 300 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 5r1r n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5r1r s ALA 301 N 0.00 2.58 0.08 4.61 0.00 -1.26 -4.72 121.76 123.05 5r1r s ALA 301 Ca 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 5r1r s ALA 301 Cb 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.48 5r1r s ALA 301 CO 0.00 0.57 0.35 0.00 0.00 0.00 0.00 175.76 176.68 5r1r s ALA 302 N -0.99 -0.78 -0.09 0.00 0.00 -1.26 -1.42 121.76 117.22 5r1r s ALA 302 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.08 5r1r s ALA 302 Cb -0.10 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.54 5r1r s ALA 302 CO 0.06 -0.53 -0.09 0.99 0.00 0.00 0.00 175.76 176.19 5r1r s THR 303 N -3.24 1.02 -0.16 0.00 2.01 -0.11 -1.44 115.64 113.73 5r1r s THR 303 Ca -0.00 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 5r1r s THR 303 Cb 0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 5r1r s THR 303 CO -0.08 0.35 0.00 -0.22 -0.69 0.00 0.00 174.62 173.98 5r1r s LEU 304 N 1.20 3.49 -0.06 4.42 0.20 -0.14 0.38 118.68 128.16 5r1r s LEU 304 Ca -0.05 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.75 5r1r s LEU 304 Cb -0.14 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.74 5r1r s LEU 304 CO -0.02 0.19 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.81 5r1r s PHE 305 N 0.25 2.98 0.01 5.38 0.40 0.15 0.15 117.98 127.31 5r1r s PHE 305 Ca -0.00 0.05 -0.18 0.00 -0.60 0.00 0.00 56.93 56.20 5r1r s PHE 305 Cb -0.13 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.72 5r1r s PHE 305 CO 0.02 0.37 0.40 1.52 0.70 0.00 0.00 175.22 178.23 5r1r s TYR 306 N -0.86 -0.27 0.51 0.36 -0.85 -0.86 -2.18 117.35 113.20 5r1r s TYR 306 Ca 0.13 0.33 -0.22 0.00 -0.52 0.00 0.00 57.07 56.79 5r1r s TYR 306 Cb -0.11 0.19 -0.06 0.00 0.38 0.00 0.00 41.96 42.36 5r1r s TYR 306 CO 0.03 -0.51 1.25 -1.25 -1.52 0.00 0.00 175.55 173.56 5r1r s PRO 307 N -1.91 3.44 0.36 -3.49 0.04 -1.26 0.02 135.00 132.20 5r1r s PRO 307 Ca -0.09 1.99 0.04 0.00 0.04 0.00 0.00 61.00 62.98 5r1r s PRO 307 Cb -0.02 -2.32 0.68 0.00 0.04 0.00 0.00 34.50 32.88 5r1r s PRO 307 CO 0.01 -0.87 1.97 1.98 0.04 0.00 0.00 177.00 180.13 5r1r h MET 308 N 1.72 0.64 -0.01 4.56 4.05 -1.25 -2.59 114.93 122.06 5r1r h MET 308 Ca -0.50 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 5r1r h MET 308 Cb 1.27 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 5r1r h MET 308 CO 0.59 0.51 0.00 -2.67 0.23 0.00 0.00 176.91 175.56 5r1r n TRP 309 N -4.39 0.00 -1.62 1.39 4.27 -1.26 -4.72 117.44 111.11 5r1r n TRP 309 Ca 0.04 -0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.21 5r1r n TRP 309 Cb 0.13 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.07 5r1r n TRP 309 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 5r1r n HIS 310 N -0.51 1.58 -0.28 -2.67 -0.00 -0.98 -1.48 115.22 110.88 5r1r n HIS 310 Ca 0.22 0.65 0.15 0.00 0.46 0.00 0.00 57.72 59.20 5r1r n HIS 310 Cb 0.21 -2.30 0.41 0.00 -0.12 0.00 0.00 29.99 28.19 5r1r n HIS 310 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 5r1r h LEU 311 N 2.14 0.60 -2.95 0.27 5.85 -1.64 -0.62 115.31 118.96 5r1r h LEU 311 Ca -0.42 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 5r1r h LEU 311 Cb 1.32 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 5r1r h LEU 311 CO 0.61 0.27 0.10 -0.62 -0.34 0.00 0.00 178.44 178.45 5r1r n GLU 312 N -4.58 3.38 -0.35 1.25 1.02 -1.26 -4.65 120.64 115.45 5r1r n GLU 312 Ca 0.19 -2.22 0.08 0.00 -0.02 0.00 0.00 57.16 55.19 5r1r n GLU 312 Cb 0.57 -2.00 0.25 0.00 -0.02 0.00 0.00 31.44 30.23 5r1r n GLU 312 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 5r1r h VAL 313 N 2.39 0.88 0.00 2.62 3.04 -1.39 0.76 116.25 124.55 5r1r h VAL 313 Ca 0.10 -0.32 -0.07 0.00 -1.01 0.00 0.00 66.70 65.40 5r1r h VAL 313 Cb 1.72 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 5r1r h VAL 313 CO 0.44 0.17 -0.31 -0.33 -1.01 0.00 0.00 177.57 176.53 5r1r h GLU 314 N 0.93 0.00 0.11 4.17 5.08 -1.85 0.14 114.58 123.17 5r1r h GLU 314 Ca 0.50 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.57 5r1r h GLU 314 Cb 0.55 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.83 5r1r h GLU 314 CO -0.29 0.31 -1.24 0.77 -1.00 0.00 0.00 179.01 177.57 5r1r h SER 315 N 0.00 0.86 0.35 1.42 0.02 -1.49 -3.35 113.55 111.37 5r1r h SER 315 Ca -0.00 -0.79 -0.02 0.00 -0.84 0.00 0.00 61.79 60.14 5r1r h SER 315 Cb 0.58 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.86 5r1r h SER 315 CO 0.04 1.59 -0.17 -0.07 -1.14 0.00 0.00 176.83 177.08 5r1r h LEU 316 N 0.27 -0.40 -1.77 5.07 3.38 -0.55 -3.13 115.31 118.19 5r1r h LEU 316 Ca -0.18 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 57.96 5r1r h LEU 316 Cb 1.91 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.73 5r1r h LEU 316 CO 0.23 -0.26 0.67 -0.07 0.09 0.00 0.00 178.44 179.11 5r1r h LEU 317 N -0.51 0.00 -3.31 1.67 4.07 -0.85 -1.42 115.31 114.96 5r1r h LEU 317 Ca -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 5r1r h LEU 317 Cb 0.38 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 5r1r h LEU 317 CO 0.08 0.00 0.01 1.33 -1.08 0.00 0.00 178.44 178.78 5r1r n VAL 318 N -3.65 2.39 0.24 1.22 0.24 -1.18 -4.69 118.33 112.90 5r1r n VAL 318 Ca 0.13 -2.05 0.08 0.00 -2.04 0.00 0.00 64.34 60.46 5r1r n VAL 318 Cb 0.90 -0.28 0.60 0.00 -1.47 0.00 0.00 33.84 33.60 5r1r n VAL 318 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 5r1r h LEU 319 N 1.66 0.00 -0.81 1.34 3.38 -1.31 -2.17 115.31 117.39 5r1r h LEU 319 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 5r1r h LEU 319 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 5r1r h LEU 319 CO 0.30 0.15 -0.35 0.29 0.09 0.00 0.00 178.44 178.92 5r1r n LYS 320 N -4.08 1.11 -1.96 1.13 5.02 -1.26 -2.03 118.16 116.09 5r1r n LYS 320 Ca -0.02 -0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 55.03 5r1r n LYS 320 Cb 0.23 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 5r1r n LYS 320 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 5r1r s ASN 321 N -2.45 6.05 0.33 4.39 2.47 -0.82 -4.88 114.94 120.02 5r1r s ASN 321 Ca 0.22 1.61 0.01 0.00 0.42 0.00 0.00 52.86 55.12 5r1r s ASN 321 Cb 0.19 -2.53 0.57 0.00 -1.45 0.00 0.00 41.25 38.03 5r1r s ASN 321 CO 0.53 -1.53 1.97 -0.55 -3.72 0.00 0.00 177.10 173.80 5r1r h ASN 322 N 12.24 0.82 -1.64 -4.21 -1.07 -1.90 -3.37 115.58 116.45 5r1r h ASN 322 Ca -0.36 -0.01 -0.52 0.00 0.07 0.00 0.00 56.30 55.47 5r1r h ASN 322 Cb 1.18 -0.20 -0.08 0.00 -2.07 0.00 0.00 38.32 37.16 5r1r h ASN 322 CO 1.00 0.58 1.22 -0.60 0.07 0.00 0.00 177.43 179.70 5r1r s ARG 323 N -5.82 3.17 0.00 4.14 3.52 -1.26 -4.88 118.95 117.82 5r1r s ARG 323 Ca -0.11 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 5r1r s ARG 323 Cb 0.18 -4.75 0.00 0.00 -1.56 0.00 0.00 34.95 28.83 5r1r s ARG 323 CO 0.78 -2.41 0.00 0.41 -0.81 0.00 0.00 175.30 173.27 5r1r n GLY 324 N 6.16 0.27 3.71 8.12 0.00 -1.26 -5.13 105.19 117.06 5r1r n GLY 324 Ca 0.21 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 5r1r n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5r1r s VAL 325 N -2.00 3.15 0.33 1.61 0.11 -1.26 -4.92 120.40 117.42 5r1r s VAL 325 Ca 0.00 0.80 0.11 0.00 -2.93 0.00 0.00 61.98 59.96 5r1r s VAL 325 Cb 0.00 -3.51 0.32 0.00 -1.53 0.00 0.00 36.38 31.66 5r1r s VAL 325 CO 0.00 0.05 1.71 -0.33 -3.33 0.00 0.00 175.10 173.20 5r1r h GLU 326 N 6.99 0.49 0.00 1.54 4.39 -1.95 0.15 114.58 126.19 5r1r h GLU 326 Ca -0.42 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 5r1r h GLU 326 Cb 1.21 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 5r1r h GLU 326 CO 0.88 0.33 -0.10 0.78 -1.16 0.00 0.00 179.01 179.74 5r1r h GLY 327 N 0.51 0.00 -3.86 -3.84 0.00 -2.05 -3.05 103.07 90.78 5r1r h GLY 327 Ca 0.67 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.38 5r1r h GLY 327 CO -0.51 0.00 0.37 0.70 0.00 0.00 0.00 176.54 177.10 5r1r n ASN 328 N -4.42 6.59 -3.75 0.19 5.03 0.04 -4.92 115.26 114.02 5r1r n ASN 328 Ca -0.03 -3.77 -0.13 0.00 0.87 0.00 0.00 54.58 51.52 5r1r n ASN 328 Cb 0.17 -0.79 -0.13 0.00 -1.02 0.00 0.00 39.78 38.02 5r1r n ASN 328 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 5r1r s ARG 329 N -3.72 0.17 -0.59 3.52 1.81 -1.15 -4.75 118.95 114.23 5r1r s ARG 329 Ca 0.60 0.41 0.05 0.00 -1.72 0.00 0.00 55.73 55.07 5r1r s ARG 329 Cb 0.48 -0.09 0.17 0.00 -0.45 0.00 0.00 34.95 35.06 5r1r s ARG 329 CO 0.01 -0.13 0.43 0.08 -0.68 0.00 0.00 175.30 175.01 5r1r s VAL 330 N 0.96 1.95 -0.71 3.52 1.01 -0.86 -4.99 120.40 121.28 5r1r s VAL 330 Ca -0.07 -3.65 0.25 0.00 0.00 0.00 0.00 61.98 58.51 5r1r s VAL 330 Cb -0.09 -2.30 0.16 0.00 0.00 0.00 0.00 36.38 34.16 5r1r s VAL 330 CO -0.06 -1.08 1.56 0.54 0.00 0.00 0.00 175.10 176.06 5r1r n ARG 331 N 2.33 0.26 -1.53 2.72 1.74 -1.22 -4.23 116.66 116.73 5r1r n ARG 331 Ca 0.23 0.14 -0.35 0.00 -0.77 0.00 0.00 57.85 57.09 5r1r n ARG 331 Cb 0.39 -1.73 0.07 0.00 -1.02 0.00 0.00 32.46 30.17 5r1r n ARG 331 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 5r1r n HIS 332 N -2.13 3.15 -3.76 -1.55 8.25 -1.26 -4.82 115.22 113.10 5r1r n HIS 332 Ca 0.05 -2.83 -0.13 0.00 -0.26 0.00 0.00 57.72 54.55 5r1r n HIS 332 Cb 0.43 -1.30 -0.10 0.00 1.12 0.00 0.00 29.99 30.13 5r1r n HIS 332 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 5r1r s MET 333 N -3.87 0.48 0.20 -0.41 -1.94 -1.26 -4.77 119.30 107.74 5r1r s MET 333 Ca 0.61 0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 54.76 5r1r s MET 333 Cb 0.49 0.22 -0.05 0.00 2.01 0.00 0.00 34.83 37.50 5r1r s MET 333 CO -0.10 -0.10 0.42 -0.51 -0.01 0.00 0.00 175.02 174.72 5r1r s ASP 334 N -0.39 6.44 0.15 3.03 1.01 -0.52 -4.91 116.67 121.48 5r1r s ASP 334 Ca -0.05 0.54 0.08 0.00 0.71 0.00 0.00 52.55 53.83 5r1r s ASP 334 Cb -0.03 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 5r1r s ASP 334 CO 0.02 -0.04 -0.08 -0.31 0.21 0.00 0.00 175.17 174.97 5r1r s TYR 335 N -1.83 2.71 -0.28 4.23 2.02 -1.17 -0.97 117.35 122.07 5r1r s TYR 335 Ca 0.41 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 5r1r s TYR 335 Cb -0.11 -1.36 0.07 0.00 -0.40 0.00 0.00 41.96 40.16 5r1r s TYR 335 CO 0.27 0.48 -0.05 0.20 -1.57 0.00 0.00 175.55 174.88 5r1r s GLY 336 N -2.63 1.67 -0.05 0.71 0.00 0.12 -1.06 107.32 106.08 5r1r s GLY 336 Ca 0.24 -1.92 -0.29 0.00 0.00 0.00 0.00 44.72 42.74 5r1r s GLY 336 CO 0.15 0.77 0.98 0.14 0.00 0.00 0.00 173.10 175.14 5r1r s VAL 337 N 1.10 4.84 -0.20 1.40 1.01 0.23 -2.03 120.40 126.76 5r1r s VAL 337 Ca -0.02 2.01 -0.16 0.00 0.00 0.00 0.00 61.98 63.80 5r1r s VAL 337 Cb -0.19 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 5r1r s VAL 337 CO -0.07 0.09 0.42 -1.10 0.00 0.00 0.00 175.10 174.45 5r1r s GLN 338 N 1.48 4.19 0.13 2.72 -0.21 0.10 -1.06 119.66 127.00 5r1r s GLN 338 Ca 0.49 0.25 0.06 0.00 0.02 0.00 0.00 55.36 56.19 5r1r s GLN 338 Cb -0.20 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 5r1r s GLN 338 CO 0.23 -0.05 -0.15 0.42 -2.12 0.00 0.00 175.29 173.62 5r1r s ILE 339 N 1.33 1.40 0.36 1.08 1.01 -0.13 -0.67 121.20 125.57 5r1r s ILE 339 Ca 0.20 -1.75 0.06 0.00 0.00 0.00 0.00 60.65 59.17 5r1r s ILE 339 Cb -0.15 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 5r1r s ILE 339 CO 0.08 -0.41 0.24 0.54 0.00 0.00 0.00 174.94 175.39 5r1r s ASN 340 N -2.49 2.05 0.16 3.58 4.22 -1.26 -0.62 114.94 120.58 5r1r s ASN 340 Ca 0.10 -1.75 -0.28 0.00 -2.14 0.00 0.00 52.86 48.80 5r1r s ASN 340 Cb -0.05 0.56 -0.00 0.00 1.28 0.00 0.00 41.25 43.04 5r1r s ASN 340 CO 0.03 -1.04 1.56 0.11 -2.04 0.00 0.00 177.10 175.73 5r1r h LYS 341 N 2.01 -0.26 -0.88 3.55 1.79 -2.00 -2.40 116.57 118.38 5r1r h LYS 341 Ca -0.28 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.37 5r1r h LYS 341 Cb 1.25 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 31.85 5r1r h LYS 341 CO 0.42 -0.17 0.47 1.25 -1.08 0.00 0.00 179.45 180.34 5r1r h LEU 342 N -0.27 0.56 -0.03 2.94 5.85 -1.98 0.35 115.31 122.74 5r1r h LEU 342 Ca 0.15 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.99 5r1r h LEU 342 Cb 0.57 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 5r1r h LEU 342 CO -0.67 0.21 -0.08 0.24 -0.34 0.00 0.00 178.44 177.80 5r1r h MET 343 N 0.63 -0.13 -0.31 1.25 2.86 -1.85 -1.43 114.93 115.94 5r1r h MET 343 Ca 0.49 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.17 5r1r h MET 343 Cb 0.74 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 5r1r h MET 343 CO -0.38 -0.09 0.14 1.88 1.06 0.00 0.00 176.91 179.52 5r1r h TYR 344 N -0.13 0.26 -0.55 -0.22 0.05 -1.17 -1.62 116.97 113.59 5r1r h TYR 344 Ca 0.04 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.93 5r1r h TYR 344 Cb 0.19 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 37.79 5r1r h TYR 344 CO -0.16 0.14 0.16 1.15 -1.05 0.00 0.00 178.16 178.39 5r1r h THR 345 N 0.30 0.74 -0.79 -2.88 2.02 -0.76 0.31 112.91 111.85 5r1r h THR 345 Ca 0.13 -0.11 0.12 0.00 0.77 0.00 0.00 66.41 67.33 5r1r h THR 345 Cb 0.06 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 66.79 5r1r h THR 345 CO -0.10 0.06 0.40 0.03 0.37 0.00 0.00 175.52 176.27 5r1r h ARG 346 N 0.31 0.60 0.15 6.66 2.47 -0.35 -0.11 114.38 124.11 5r1r h ARG 346 Ca 0.28 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.95 5r1r h ARG 346 Cb 0.36 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 5r1r h ARG 346 CO -0.32 0.40 -0.08 1.25 0.56 0.00 0.00 179.97 181.78 5r1r h LEU 347 N 0.62 -0.21 -0.89 3.04 5.85 0.24 -1.68 115.31 122.29 5r1r h LEU 347 Ca 0.42 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.22 5r1r h LEU 347 Cb 0.53 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 5r1r h LEU 347 CO -0.32 -0.14 0.55 -0.07 -0.34 0.00 0.00 178.44 178.11 5r1r h LEU 348 N -0.22 0.84 -0.88 2.25 3.38 0.65 -2.37 115.31 118.96 5r1r h LEU 348 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 5r1r h LEU 348 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 5r1r h LEU 348 CO 0.02 0.52 0.00 0.29 0.09 0.00 0.00 178.44 179.36 5r1r n LYS 349 N -4.63 1.57 -1.90 1.13 5.02 -0.21 -4.92 118.16 114.22 5r1r n LYS 349 Ca 0.14 -0.86 -0.20 0.00 -2.02 0.00 0.00 58.31 55.36 5r1r n LYS 349 Cb 0.21 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 5r1r n LYS 349 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5r1r n GLY 350 N 0.99 1.00 3.99 0.72 0.00 -0.89 -4.98 105.19 106.02 5r1r n GLY 350 Ca 0.13 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 5r1r n GLY 350 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5r1r s GLU 351 N -4.22 1.75 0.53 1.61 2.02 -0.66 -4.82 118.70 114.91 5r1r s GLU 351 Ca 0.00 -1.11 -0.07 0.00 0.02 0.00 0.00 54.97 53.82 5r1r s GLU 351 Cb 0.00 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 5r1r s GLU 351 CO 0.00 -1.39 0.86 -0.51 0.02 0.00 0.00 175.26 174.25 5r1r s ASP 352 N -4.71 6.20 -0.11 -0.19 1.11 -1.26 -1.91 116.67 115.79 5r1r s ASP 352 Ca 0.66 1.04 0.03 0.00 0.18 0.00 0.00 52.55 54.46 5r1r s ASP 352 Cb -0.06 -2.26 0.01 0.00 1.07 0.00 0.00 42.92 41.68 5r1r s ASP 352 CO 0.44 -0.70 -0.22 -0.63 1.18 0.00 0.00 175.17 175.24 5r1r s ILE 353 N -2.88 1.94 -0.20 0.77 1.01 0.17 -4.68 121.20 117.33 5r1r s ILE 353 Ca 0.50 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 5r1r s ILE 353 Cb -0.10 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 5r1r s ILE 353 CO 0.47 0.53 0.33 -0.89 0.00 0.00 0.00 174.94 175.38 5r1r s THR 354 N 0.57 5.25 -0.05 2.92 2.01 -1.26 -0.56 115.64 124.52 5r1r s THR 354 Ca -0.14 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 5r1r s THR 354 Cb -0.17 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 5r1r s THR 354 CO 0.04 0.29 0.26 -0.76 -0.69 0.00 0.00 174.62 173.76 5r1r s LEU 355 N 1.13 4.41 -0.02 4.42 1.43 0.13 -4.83 118.68 125.35 5r1r s LEU 355 Ca 0.16 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 5r1r s LEU 355 Cb -0.14 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.71 5r1r s LEU 355 CO 0.07 0.35 0.17 -0.36 0.23 0.00 0.00 176.35 176.80 5r1r s PHE 356 N -1.11 -0.06 0.10 0.29 0.08 -0.55 -2.01 117.98 114.71 5r1r s PHE 356 Ca 0.21 0.11 -0.27 0.00 0.12 0.00 0.00 56.93 57.10 5r1r s PHE 356 Cb -0.14 0.00 -0.06 0.00 -0.57 0.00 0.00 43.02 42.26 5r1r s PHE 356 CO 0.10 -0.24 0.84 0.45 -0.10 0.00 0.00 175.22 176.27 5r1r s SER 357 N -0.92 7.36 0.44 1.36 0.15 -1.26 -1.76 113.70 119.07 5r1r s SER 357 Ca -0.10 1.62 0.18 0.00 0.70 0.00 0.00 55.95 58.35 5r1r s SER 357 Cb -0.05 -2.52 1.12 0.00 -1.71 0.00 0.00 66.02 62.85 5r1r s SER 357 CO 0.01 0.03 1.90 -0.65 1.20 0.00 0.00 173.24 175.73 5r1r h PRO 358 N 5.35 0.34 -0.93 5.44 0.11 -1.88 -1.20 132.00 139.22 5r1r h PRO 358 Ca -0.44 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.76 5r1r h PRO 358 Cb 1.21 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 5r1r h PRO 358 CO 0.70 0.23 0.60 0.66 -0.21 0.00 0.00 178.00 179.98 5r1r h SER 359 N 0.35 0.82 0.48 -2.05 4.64 -1.91 -2.82 113.55 113.06 5r1r h SER 359 Ca 0.40 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 5r1r h SER 359 Cb 1.04 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 5r1r h SER 359 CO -0.12 0.46 -0.19 0.47 -0.87 0.00 0.00 176.83 176.58 5r1r n ASP 360 N -4.56 0.47 -3.74 4.97 8.00 -0.46 -4.67 116.55 116.56 5r1r n ASP 360 Ca 0.17 -0.37 -0.28 0.00 0.71 0.00 0.00 54.79 55.01 5r1r n ASP 360 Cb 0.35 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.28 5r1r n ASP 360 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 5r1r s VAL 361 N -2.67 1.87 -0.07 2.53 -7.23 -1.06 -4.93 120.40 108.84 5r1r s VAL 361 Ca 0.22 -3.31 -0.40 0.00 -1.81 0.00 0.00 61.98 56.68 5r1r s VAL 361 Cb 0.19 -2.27 -0.18 0.00 0.56 0.00 0.00 36.38 34.68 5r1r s VAL 361 CO 0.53 -1.00 1.34 -2.65 -0.31 0.00 0.00 175.10 173.01 5r1r n PRO 362 N 2.75 0.61 0.00 4.82 -0.02 -1.26 -1.65 135.00 140.25 5r1r n PRO 362 Ca 0.17 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 5r1r n PRO 362 Cb 0.37 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 5r1r n PRO 362 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5r1r n GLY 363 N 2.60 2.69 0.13 -1.23 0.00 -1.26 -4.90 105.19 103.22 5r1r n GLY 363 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 5r1r n GLY 363 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5r1r h LEU 364 N 0.00 -0.19 -0.17 0.99 6.46 -1.68 -2.23 115.31 118.48 5r1r h LEU 364 Ca 0.00 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 5r1r h LEU 364 Cb 0.00 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 5r1r h LEU 364 CO 0.00 -0.05 -0.00 0.22 -0.62 0.00 0.00 178.44 177.99 5r1r h TYR 365 N -0.33 -0.02 -0.28 1.25 5.03 -1.91 -1.06 116.97 119.66 5r1r h TYR 365 Ca -0.02 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.33 5r1r h TYR 365 Cb 0.26 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 5r1r h TYR 365 CO -0.04 -0.03 0.09 -0.44 -1.32 0.00 0.00 178.16 176.42 5r1r h ASP 366 N 0.05 0.09 -0.73 -2.11 3.32 -1.95 -2.40 116.42 112.69 5r1r h ASP 366 Ca 0.08 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.22 5r1r h ASP 366 Cb 0.10 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 5r1r h ASP 366 CO -0.14 0.08 0.43 0.00 -1.72 0.00 0.00 179.24 177.90 5r1r h ALA 367 N 1.19 0.98 -0.99 3.45 0.00 -1.17 -1.12 119.26 121.60 5r1r h ALA 367 Ca 0.13 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.37 5r1r h ALA 367 Cb 0.10 -0.18 -0.16 0.00 0.00 0.00 0.00 17.79 17.56 5r1r h ALA 367 CO -0.14 0.15 0.50 0.35 0.00 0.00 0.00 179.25 180.11 5r1r h PHE 368 N 0.80 0.79 0.07 0.00 3.57 -0.66 0.54 116.94 122.06 5r1r h PHE 368 Ca 0.32 0.04 -0.35 0.00 3.53 0.00 0.00 57.97 61.51 5r1r h PHE 368 Cb 0.15 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 5r1r h PHE 368 CO -0.06 -0.25 -1.94 1.19 -2.23 0.00 0.00 178.31 175.03 5r1r n PHE 369 N -5.13 0.94 -0.04 0.41 3.01 -1.03 -4.56 117.46 111.06 5r1r n PHE 369 Ca 0.31 0.25 -0.15 0.00 1.01 0.00 0.00 57.45 58.87 5r1r n PHE 369 Cb 1.00 -1.12 -0.14 0.00 -0.01 0.00 0.00 39.48 39.21 5r1r n PHE 369 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 5r1r n ALA 370 N -3.22 1.26 -3.65 4.37 0.00 -0.45 -4.67 120.51 114.16 5r1r n ALA 370 Ca -0.36 -0.84 -0.24 0.00 0.00 0.00 0.00 53.44 52.00 5r1r n ALA 370 Cb 0.94 -0.58 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 5r1r n ALA 370 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 5r1r s ASP 371 N -6.42 2.03 0.19 0.00 -1.08 0.11 -4.81 116.67 106.70 5r1r s ASP 371 Ca -0.17 -0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 51.43 5r1r s ASP 371 Cb 0.07 -0.26 0.12 0.00 -1.46 0.00 0.00 42.92 41.39 5r1r s ASP 371 CO 0.77 -0.31 1.49 1.56 0.52 0.00 0.00 175.17 179.20 5r1r h GLN 372 N 8.40 0.47 0.10 4.34 1.08 -1.90 -1.35 115.11 126.25 5r1r h GLN 372 Ca -0.15 -0.32 0.02 0.00 -1.45 0.00 0.00 58.65 56.75 5r1r h GLN 372 Cb 1.14 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.58 5r1r h GLN 372 CO 0.26 0.93 -0.29 0.93 -0.95 0.00 0.00 178.83 179.71 5r1r h GLU 373 N 0.35 -0.48 -0.12 1.46 4.39 -1.95 0.92 114.58 119.15 5r1r h GLU 373 Ca -0.01 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.74 5r1r h GLU 373 Cb 1.16 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 5r1r h GLU 373 CO 0.11 -0.32 0.04 1.49 -1.16 0.00 0.00 179.01 179.17 5r1r h GLU 374 N -0.50 0.10 -0.49 2.33 4.57 -1.90 0.74 114.58 119.43 5r1r h GLU 374 Ca 0.04 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 5r1r h GLU 374 Cb 0.53 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 5r1r h GLU 374 CO -0.18 0.06 -0.15 0.35 -1.18 0.00 0.00 179.01 177.91 5r1r h PHE 375 N 0.10 -0.35 -0.21 0.92 3.57 -0.93 0.25 116.94 120.29 5r1r h PHE 375 Ca 0.05 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.64 5r1r h PHE 375 Cb 0.03 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 5r1r h PHE 375 CO -0.11 -0.24 -0.01 1.49 -2.23 0.00 0.00 178.31 177.22 5r1r h GLU 376 N -0.04 0.06 0.66 1.11 4.81 -0.09 0.62 114.58 121.71 5r1r h GLU 376 Ca 0.24 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 5r1r h GLU 376 Cb 0.40 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 5r1r h GLU 376 CO -0.53 0.04 -0.48 -0.09 -0.73 0.00 0.00 179.01 177.22 5r1r h ARG 377 N 0.06 -1.05 -0.91 1.92 2.43 0.11 0.05 114.38 116.99 5r1r h ARG 377 Ca 0.10 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 5r1r h ARG 377 Cb 0.13 0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 5r1r h ARG 377 CO -0.17 -0.70 0.58 -0.07 -1.51 0.00 0.00 179.97 178.10 5r1r h LEU 378 N -1.09 0.95 0.46 3.80 3.38 -0.47 -0.38 115.31 121.96 5r1r h LEU 378 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 5r1r h LEU 378 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 5r1r h LEU 378 CO 0.03 0.63 -0.39 0.22 0.09 0.00 0.00 178.44 179.03 5r1r h TYR 379 N 1.10 -1.04 -0.50 1.13 3.20 0.49 -0.22 116.97 121.13 5r1r h TYR 379 Ca 0.38 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 5r1r h TYR 379 Cb 0.07 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 5r1r h TYR 379 CO -0.02 -0.55 0.28 1.79 -1.64 0.00 0.00 178.16 178.02 5r1r h THR 380 N -0.85 1.17 -0.23 1.81 1.35 -0.72 -1.49 112.91 113.94 5r1r h THR 380 Ca -0.05 -0.42 0.03 0.00 -0.55 0.00 0.00 66.41 65.42 5r1r h THR 380 Cb 0.73 0.54 -0.06 0.00 -1.73 0.00 0.00 68.15 67.63 5r1r h THR 380 CO -0.02 0.18 -0.44 0.50 -0.25 0.00 0.00 175.52 175.49 5r1r h LYS 381 N 0.67 -0.37 0.00 4.72 3.64 -0.92 -1.93 116.57 122.37 5r1r h LYS 381 Ca 0.18 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 5r1r h LYS 381 Cb 0.04 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 5r1r h LYS 381 CO -0.03 -0.25 -0.00 1.88 -2.27 0.00 0.00 179.45 178.78 5r1r h TYR 382 N -0.39 0.00 -0.47 1.91 0.05 -0.80 -1.55 116.97 115.72 5r1r h TYR 382 Ca 0.04 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 5r1r h TYR 382 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 5r1r h TYR 382 CO -0.64 0.00 0.12 0.93 -1.05 0.00 0.00 178.16 177.52 5r1r h GLU 383 N 0.00 0.75 -0.12 4.88 5.08 -0.47 -3.18 114.58 121.53 5r1r h GLU 383 Ca -0.00 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 5r1r h GLU 383 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 5r1r h GLU 383 CO 0.00 0.74 -0.58 0.87 -1.00 0.00 0.00 179.01 179.04 5r1r h LYS 384 N 0.63 0.37 -5.98 2.33 6.56 -1.08 -3.43 116.57 115.98 5r1r h LYS 384 Ca 0.15 -0.24 -0.55 0.00 -1.06 0.00 0.00 60.65 58.94 5r1r h LYS 384 Cb 0.32 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 5r1r h LYS 384 CO 0.00 0.84 1.46 0.34 -2.06 0.00 0.00 179.45 180.03 5r1r s ASP 385 N -6.91 5.33 0.04 0.86 -1.08 -0.86 -4.87 116.67 109.17 5r1r s ASP 385 Ca -0.05 1.47 0.22 0.00 -0.52 0.00 0.00 52.55 53.66 5r1r s ASP 385 Cb 0.12 -2.51 0.90 0.00 -1.46 0.00 0.00 42.92 39.96 5r1r s ASP 385 CO 0.81 -2.13 1.68 0.47 0.52 0.00 0.00 175.17 176.53 5r1r n ASP 386 N 12.32 0.12 -0.21 -0.34 9.92 -1.26 -2.94 116.55 134.16 5r1r n ASP 386 Ca 0.29 0.52 -0.08 0.00 -0.53 0.00 0.00 54.79 54.99 5r1r n ASP 386 Cb 0.48 -0.55 0.03 0.00 -0.64 0.00 0.00 41.12 40.44 5r1r n ASP 386 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 5r1r h SER 387 N 0.00 0.89 -2.73 -2.24 0.02 -1.95 -3.43 113.55 104.10 5r1r h SER 387 Ca 0.00 -0.22 -0.55 0.00 -0.84 0.00 0.00 61.79 60.17 5r1r h SER 387 Cb 0.39 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 5r1r h SER 387 CO 0.00 0.88 1.01 -0.63 -1.14 0.00 0.00 176.83 176.94 5r1r s ILE 388 N -5.35 3.81 0.12 3.27 1.01 -1.15 -4.98 121.20 117.93 5r1r s ILE 388 Ca -0.13 1.00 -0.34 0.00 0.00 0.00 0.00 60.65 61.19 5r1r s ILE 388 Cb 0.13 -3.65 -0.14 0.00 0.01 0.00 0.00 42.46 38.82 5r1r s ILE 388 CO 0.81 -0.08 1.62 -1.14 0.00 0.00 0.00 174.94 176.16 5r1r n ARG 389 N 6.78 2.15 -3.85 2.79 0.63 -1.26 -4.96 116.66 118.94 5r1r n ARG 389 Ca 0.16 0.78 -0.09 0.00 -0.92 0.00 0.00 57.85 57.77 5r1r n ARG 389 Cb 0.43 -2.56 -0.04 0.00 0.45 0.00 0.00 32.46 30.75 5r1r n ARG 389 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 5r1r s LYS 390 N 1.39 1.47 0.01 -0.14 -2.85 -1.26 -4.59 119.74 113.77 5r1r s LYS 390 Ca 0.81 -1.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.77 5r1r s LYS 390 Cb -0.68 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 35.58 5r1r s LYS 390 CO 0.40 -0.62 -0.03 -1.14 0.10 0.00 0.00 175.35 174.05 5r1r s GLN 391 N -3.93 0.28 -0.11 1.78 0.74 -0.85 -4.97 119.66 112.60 5r1r s GLN 391 Ca 0.14 -0.37 -0.05 0.00 0.05 0.00 0.00 55.36 55.13 5r1r s GLN 391 Cb -0.01 -0.10 -0.04 0.00 1.10 0.00 0.00 33.01 33.96 5r1r s GLN 391 CO 0.02 0.02 0.07 1.03 -0.55 0.00 0.00 175.29 175.88 5r1r s ARG 392 N -0.78 3.27 0.02 1.67 1.81 -1.26 0.22 118.95 123.89 5r1r s ARG 392 Ca -0.06 -0.28 0.02 0.00 -1.72 0.00 0.00 55.73 53.69 5r1r s ARG 392 Cb -0.05 -3.00 -0.01 0.00 -0.45 0.00 0.00 34.95 31.43 5r1r s ARG 392 CO -0.00 0.70 -0.07 0.14 -0.68 0.00 0.00 175.30 175.40 5r1r s VAL 393 N -0.85 0.48 0.04 3.52 -7.23 0.28 -4.96 120.40 111.67 5r1r s VAL 393 Ca 0.13 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 5r1r s VAL 393 Cb -0.12 -0.47 -0.07 0.00 0.56 0.00 0.00 36.38 36.28 5r1r s VAL 393 CO 0.03 -0.11 1.61 -0.54 -0.31 0.00 0.00 175.10 175.78 5r1r s LYS 394 N -0.79 4.21 0.33 4.82 1.02 -1.26 0.46 119.74 128.53 5r1r s LYS 394 Ca -0.03 2.24 0.10 0.00 0.02 0.00 0.00 55.97 58.30 5r1r s LYS 394 Cb -0.06 -3.66 0.90 0.00 -0.52 0.00 0.00 37.83 34.49 5r1r s LYS 394 CO 0.00 -0.72 1.73 0.00 -0.92 0.00 0.00 175.35 175.44 5r1r h ALA 395 N 8.45 1.83 -0.50 5.17 0.00 -1.66 -0.23 119.26 132.32 5r1r h ALA 395 Ca -0.41 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.64 5r1r h ALA 395 Cb 1.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 5r1r h ALA 395 CO 0.93 -0.29 0.28 0.28 0.00 0.00 0.00 179.25 180.45 5r1r h VAL 396 N 0.57 1.02 -0.04 0.00 2.07 -1.87 -0.31 116.25 117.70 5r1r h VAL 396 Ca 0.64 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.98 5r1r h VAL 396 Cb 1.24 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 5r1r h VAL 396 CO -0.46 0.10 -0.02 -0.33 0.02 0.00 0.00 177.57 176.88 5r1r h GLU 397 N 0.56 -0.02 -0.04 1.57 5.08 -1.42 -0.86 114.58 119.44 5r1r h GLU 397 Ca 0.20 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 5r1r h GLU 397 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 5r1r h GLU 397 CO -0.11 -0.02 -0.03 1.25 -1.00 0.00 0.00 179.01 179.11 5r1r h LEU 398 N -0.03 -0.09 -0.06 1.33 5.85 -1.24 0.12 115.31 121.19 5r1r h LEU 398 Ca 0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 5r1r h LEU 398 Cb 0.06 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 5r1r h LEU 398 CO -0.05 -0.04 0.04 -0.26 -0.34 0.00 0.00 178.44 177.78 5r1r h PHE 399 N -0.03 0.07 -0.66 1.25 0.04 -0.97 -1.38 116.94 115.26 5r1r h PHE 399 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 5r1r h PHE 399 Cb 0.07 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 5r1r h PHE 399 CO -0.12 0.05 0.43 0.77 -0.60 0.00 0.00 178.31 178.83 5r1r h SER 400 N 0.07 0.77 -0.66 2.17 0.02 -0.93 0.11 113.55 115.12 5r1r h SER 400 Ca 0.02 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 5r1r h SER 400 Cb -0.01 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 5r1r h SER 400 CO -0.00 0.58 0.36 0.25 -1.14 0.00 0.00 176.83 176.87 5r1r h LEU 401 N 0.90 0.52 -0.07 5.07 5.85 -0.51 0.60 115.31 127.67 5r1r h LEU 401 Ca 0.24 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 5r1r h LEU 401 Cb -0.08 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 5r1r h LEU 401 CO -0.05 0.34 0.02 -0.03 -0.34 0.00 0.00 178.44 178.37 5r1r h MET 402 N 0.66 0.12 -0.22 1.25 4.05 -0.10 -2.46 114.93 118.23 5r1r h MET 402 Ca 0.30 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.63 5r1r h MET 402 Cb 0.21 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 5r1r h MET 402 CO -0.19 0.31 -0.14 0.52 0.23 0.00 0.00 176.91 177.64 5r1r h MET 403 N -0.09 0.36 0.86 0.39 2.86 -0.35 0.12 114.93 119.08 5r1r h MET 403 Ca 0.02 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 5r1r h MET 403 Cb 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.86 5r1r h MET 403 CO 0.00 0.50 -0.46 0.37 1.06 0.00 0.00 176.91 178.39 5r1r h GLN 404 N 0.34 -1.17 -0.89 1.72 4.15 0.25 0.26 115.11 119.77 5r1r h GLN 404 Ca 0.07 0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.62 5r1r h GLN 404 Cb 0.45 0.27 -0.06 0.00 0.21 0.00 0.00 27.48 28.34 5r1r h GLN 404 CO 0.03 -0.78 0.57 0.93 -1.93 0.00 0.00 178.83 177.65 5r1r h GLU 405 N -1.21 1.03 -0.36 1.69 4.39 -1.27 0.80 114.58 119.65 5r1r h GLU 405 Ca -0.12 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.55 5r1r h GLU 405 Cb 0.95 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 5r1r h GLU 405 CO 0.17 0.68 0.16 -0.09 -1.16 0.00 0.00 179.01 178.77 5r1r h ARG 406 N 1.06 0.32 0.21 2.33 2.43 -0.64 -1.70 114.38 118.40 5r1r h ARG 406 Ca 0.37 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 5r1r h ARG 406 Cb 0.10 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 5r1r h ARG 406 CO -0.15 0.21 -0.20 0.00 -1.51 0.00 0.00 179.97 178.32 5r1r h ALA 407 N 1.20 -0.41 -0.29 2.80 0.00 0.15 0.50 119.26 123.21 5r1r h ALA 407 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 5r1r h ALA 407 Cb 0.09 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 5r1r h ALA 407 CO -0.13 -0.76 -0.01 0.66 0.00 0.00 0.00 179.25 179.01 5r1r h SER 408 N -0.44 0.52 0.34 0.00 4.64 -0.85 -3.34 113.55 114.42 5r1r h SER 408 Ca -0.00 -0.32 -0.30 0.00 -0.47 0.00 0.00 61.79 60.70 5r1r h SER 408 Cb 0.41 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 5r1r h SER 408 CO -0.04 0.71 -1.91 0.35 -0.87 0.00 0.00 176.83 175.07 5r1r n THR 409 N -4.56 1.46 -0.13 2.95 -2.24 -0.65 -4.98 114.28 106.14 5r1r n THR 409 Ca -0.03 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 5r1r n THR 409 Cb 0.27 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 5r1r n THR 409 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5r1r n GLY 410 N 1.60 1.98 0.57 3.38 0.00 0.18 -4.87 105.19 108.02 5r1r n GLY 410 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.87 5r1r n GLY 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5r1r n ARG 411 N -2.00 1.72 -3.60 1.61 5.12 -1.26 -2.53 116.66 115.72 5r1r n ARG 411 Ca 0.00 -2.97 -0.40 0.00 -1.93 0.00 0.00 57.85 52.55 5r1r n ARG 411 Cb 0.00 -1.65 -0.09 0.00 -1.16 0.00 0.00 32.46 29.56 5r1r n ARG 411 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 5r1r s ILE 412 N -3.06 4.10 0.48 0.55 -1.09 -1.26 -3.03 121.20 117.89 5r1r s ILE 412 Ca 0.38 -1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.12 5r1r s ILE 412 Cb 0.34 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 5r1r s ILE 412 CO 0.00 -0.65 0.74 -0.31 -1.23 0.00 0.00 174.94 173.48 5r1r s TYR 413 N 1.36 3.33 -0.03 3.97 2.02 -0.22 -4.69 117.35 123.09 5r1r s TYR 413 Ca 0.05 0.46 0.04 0.00 -0.37 0.00 0.00 57.07 57.25 5r1r s TYR 413 Cb -0.25 -2.37 -0.03 0.00 -0.40 0.00 0.00 41.96 38.92 5r1r s TYR 413 CO -0.00 -0.41 -0.14 0.42 -1.57 0.00 0.00 175.55 173.85 5r1r s ILE 414 N -2.67 3.09 -0.13 2.71 1.09 -0.86 0.76 121.20 125.18 5r1r s ILE 414 Ca 0.49 -0.80 -0.01 0.00 -1.10 0.00 0.00 60.65 59.23 5r1r s ILE 414 Cb -0.10 -2.24 0.04 0.00 -1.06 0.00 0.00 42.46 39.10 5r1r s ILE 414 CO 0.41 0.53 -0.03 -1.58 -0.10 0.00 0.00 174.94 174.17 5r1r s GLN 415 N -0.92 1.10 -0.77 2.79 0.74 -0.23 -1.26 119.66 121.12 5r1r s GLN 415 Ca 0.13 -0.24 -0.24 0.00 0.05 0.00 0.00 55.36 55.05 5r1r s GLN 415 Cb -0.11 -1.60 0.06 0.00 1.10 0.00 0.00 33.01 32.46 5r1r s GLN 415 CO 0.02 -0.38 1.16 -0.80 -0.55 0.00 0.00 175.29 174.74 5r1r s ASN 416 N 1.79 6.26 0.28 6.67 0.01 0.17 -0.96 114.94 129.16 5r1r s ASN 416 Ca 0.03 -0.97 0.13 0.00 -0.71 0.00 0.00 52.86 51.33 5r1r s ASN 416 Cb -0.14 -2.49 0.34 0.00 0.41 0.00 0.00 41.25 39.37 5r1r s ASN 416 CO -0.07 -1.55 1.58 -0.37 -1.51 0.00 0.00 177.10 175.18 5r1r h VAL 417 N 6.09 1.28 -0.11 1.60 -1.51 -1.14 -1.66 116.25 120.80 5r1r h VAL 417 Ca -0.17 -2.16 -0.02 0.00 -1.23 0.00 0.00 66.70 63.12 5r1r h VAL 417 Cb 1.05 2.22 -0.00 0.00 -2.13 0.00 0.00 31.29 32.42 5r1r h VAL 417 CO 1.24 0.59 0.01 -2.24 -1.23 0.00 0.00 177.57 175.94 5r1r h ASP 418 N 0.00 0.18 -0.43 4.19 3.04 -1.80 -2.82 116.42 118.78 5r1r h ASP 418 Ca -0.01 -0.28 0.07 0.00 -3.24 0.00 0.00 57.03 53.58 5r1r h ASP 418 Cb 1.17 -0.05 -0.06 0.00 -1.04 0.00 0.00 39.33 39.35 5r1r h ASP 418 CO 0.08 0.42 0.06 0.45 -2.04 0.00 0.00 179.24 178.21 5r1r h HIS 419 N -0.05 0.10 0.00 4.15 3.86 -1.86 0.41 115.15 121.76 5r1r h HIS 419 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 5r1r h HIS 419 Cb 0.32 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.81 5r1r h HIS 419 CO 0.02 -0.02 0.13 0.00 0.86 0.00 0.00 177.93 178.92 5r1r n ASN 421 N -2.82 2.75 0.13 0.00 3.02 0.11 -4.39 115.26 114.06 5r1r n ASN 421 Ca -0.02 -0.01 -0.00 0.00 -0.03 0.00 0.00 54.58 54.51 5r1r n ASN 421 Cb 0.18 0.54 0.11 0.00 -0.61 0.00 0.00 39.78 40.01 5r1r n ASN 421 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 5r1r h THR 422 N 0.00 1.25 -2.24 3.41 1.35 -0.40 -3.34 112.91 112.94 5r1r h THR 422 Ca -0.26 -2.31 -0.60 0.00 -0.55 0.00 0.00 66.41 62.69 5r1r h THR 422 Cb 1.55 2.32 -0.41 0.00 -1.73 0.00 0.00 68.15 69.87 5r1r h THR 422 CO 0.00 0.62 -0.67 1.57 -0.25 0.00 0.00 175.52 176.79 5r1r n HIS 423 N -3.50 2.97 -4.13 4.73 -0.00 -0.69 -4.88 115.22 109.72 5r1r n HIS 423 Ca -0.00 -4.07 -0.10 0.00 -0.00 0.00 0.00 57.72 53.55 5r1r n HIS 423 Cb 0.69 -0.52 -0.10 0.00 -0.00 0.00 0.00 29.99 30.06 5r1r n HIS 423 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 5r1r s SER 424 N -2.17 0.27 0.00 0.26 1.04 -1.26 -4.78 113.70 107.06 5r1r s SER 424 Ca 0.38 -1.18 0.26 0.00 0.48 0.00 0.00 55.95 55.89 5r1r s SER 424 Cb 0.13 0.32 1.34 0.00 0.10 0.00 0.00 66.02 67.92 5r1r s SER 424 CO -0.04 -0.75 1.88 -0.81 0.98 0.00 0.00 173.24 174.50 5r1r n PRO 425 N -0.12 0.43 -4.29 4.02 -0.04 -1.26 -4.68 135.00 129.06 5r1r n PRO 425 Ca -0.05 0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 5r1r n PRO 425 Cb 0.64 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 5r1r n PRO 425 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 5r1r s PHE 426 N -2.49 2.57 -0.23 0.54 0.08 -1.26 -0.16 117.98 117.03 5r1r s PHE 426 Ca 0.27 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.78 5r1r s PHE 426 Cb 0.17 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 5r1r s PHE 426 CO 0.38 0.40 1.19 0.34 -0.10 0.00 0.00 175.22 177.43 5r1r s ASP 427 N -2.17 6.92 0.51 1.36 -1.08 -0.44 -4.60 116.67 117.17 5r1r s ASP 427 Ca 0.19 1.44 0.22 0.00 -0.52 0.00 0.00 52.55 53.88 5r1r s ASP 427 Cb -0.11 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.19 5r1r s ASP 427 CO 0.11 -0.82 2.10 -0.65 0.52 0.00 0.00 175.17 176.43 5r1r h PRO 428 N 8.23 0.00 -0.06 4.34 0.11 -1.84 0.14 132.00 142.92 5r1r h PRO 428 Ca -0.24 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.77 5r1r h PRO 428 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 5r1r h PRO 428 CO 0.99 0.10 -0.44 0.00 -0.21 0.00 0.00 178.00 178.44 5r1r h ALA 429 N 1.90 1.16 0.00 -0.75 0.00 -1.90 -3.26 119.26 116.41 5r1r h ALA 429 Ca -0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 5r1r h ALA 429 Cb 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 5r1r h ALA 429 CO 0.01 0.59 -1.86 -0.89 0.00 0.00 0.00 179.25 177.10 5r1r n ILE 430 N -4.00 0.86 -2.97 0.00 5.41 -0.57 -4.88 119.36 113.21 5r1r n ILE 430 Ca -0.02 -0.45 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 5r1r n ILE 430 Cb 0.49 -0.82 -0.01 0.00 -0.71 0.00 0.00 39.64 38.59 5r1r n ILE 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 5r1r n ALA 431 N -2.64 0.25 -1.32 -1.39 0.00 0.39 -5.05 120.51 110.76 5r1r n ALA 431 Ca -0.23 -2.19 -0.30 0.00 0.00 0.00 0.00 53.44 50.73 5r1r n ALA 431 Cb 0.86 -1.12 0.13 0.00 0.00 0.00 0.00 19.45 19.32 5r1r n ALA 431 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 5r1r s PRO 432 N 0.04 1.37 -0.31 0.00 0.04 -1.23 -4.32 135.00 130.59 5r1r s PRO 432 Ca 0.33 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 5r1r s PRO 432 Cb 0.16 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.88 5r1r s PRO 432 CO -0.17 -2.13 0.09 0.08 0.04 0.00 0.00 177.00 174.91 5r1r s VAL 433 N -3.02 3.95 -0.24 -0.36 1.01 -1.26 -4.01 120.40 116.47 5r1r s VAL 433 Ca 0.63 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.89 5r1r s VAL 433 Cb -0.17 -3.10 0.44 0.00 0.00 0.00 0.00 36.38 33.56 5r1r s VAL 433 CO 0.56 -0.00 1.28 0.54 0.00 0.00 0.00 175.10 177.48 5r1r n ARG 434 N 4.86 1.74 0.00 2.72 1.74 -1.26 -4.78 116.66 121.68 5r1r n ARG 434 Ca -0.14 -3.32 0.00 0.00 -0.77 0.00 0.00 57.85 53.62 5r1r n ARG 434 Cb 0.47 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 5r1r n ARG 434 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5r1r n GLN 435 N -1.10 -0.89 -0.45 5.56 10.64 -1.26 -4.95 117.38 124.92 5r1r n GLN 435 Ca 0.24 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 5r1r n GLN 435 Cb 0.79 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.17 5r1r n GLN 435 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 5r1r n SER 436 N 0.00 1.46 -3.84 2.61 2.88 -1.26 -4.46 113.62 111.01 5r1r n SER 436 Ca 0.00 -0.23 -0.17 0.00 -1.33 0.00 0.00 58.87 57.15 5r1r n SER 436 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 5r1r n SER 436 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 5r1r n ASN 437 N -0.35 2.07 -0.24 -3.46 6.94 -1.21 -4.68 115.26 114.35 5r1r n ASN 437 Ca 0.00 -2.21 -0.11 0.00 -0.02 0.00 0.00 54.58 52.25 5r1r n ASN 437 Cb 0.00 -0.05 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 5r1r n ASN 437 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 5r1r h LEU 438 N 0.00 -1.72 -2.92 -4.53 5.85 -1.86 -1.11 115.31 109.02 5r1r h LEU 438 Ca -0.22 0.24 -0.22 0.00 0.84 0.00 0.00 57.88 58.53 5r1r h LEU 438 Cb 0.82 0.73 -0.13 0.00 0.37 0.00 0.00 40.66 42.46 5r1r h LEU 438 CO 0.34 -0.27 0.27 0.00 -0.34 0.00 0.00 178.44 178.45 5r1r n LEU 440 N -0.22 -2.55 -0.01 0.00 7.99 -0.42 -4.45 117.00 117.34 5r1r n LEU 440 Ca 0.28 -0.79 -0.01 0.00 -0.01 0.00 0.00 56.01 55.49 5r1r n LEU 440 Cb 1.05 -2.55 -0.03 0.00 -0.11 0.00 0.00 43.42 41.79 5r1r n LEU 440 CO 0.29 0.46 -0.60 0.00 -1.51 0.00 0.00 177.39 176.04 5r1r n ALA 441 N -4.66 1.96 -2.36 -1.18 0.00 -1.26 -3.97 120.51 109.04 5r1r n ALA 441 Ca 0.03 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 5r1r n ALA 441 Cb 0.53 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 5r1r n ALA 441 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 5r1r s ILE 442 N -2.12 4.85 -0.32 0.00 -1.09 -1.26 -1.21 121.20 120.05 5r1r s ILE 442 Ca -0.02 1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 59.44 5r1r s ILE 442 Cb 0.01 -3.82 0.13 0.00 -1.58 0.00 0.00 42.46 37.20 5r1r s ILE 442 CO 0.15 0.53 0.24 0.00 -1.23 0.00 0.00 174.94 174.62 5r1r s ALA 443 N -1.14 0.18 0.04 9.38 0.00 -1.26 -3.30 121.76 125.67 5r1r s ALA 443 Ca 0.28 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 5r1r s ALA 443 Cb -0.18 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 5r1r s ALA 443 CO 0.17 -1.85 -0.01 -0.51 0.00 0.00 0.00 175.76 173.56 5r1r s LEU 444 N 1.85 2.36 0.46 0.00 1.43 -1.26 -4.80 118.68 118.71 5r1r s LEU 444 Ca 0.12 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 5r1r s LEU 444 Cb -0.17 0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.21 5r1r s LEU 444 CO -0.22 -0.53 1.33 -2.84 0.23 0.00 0.00 176.35 174.31 5r1r s PRO 445 N -3.31 3.65 0.00 1.29 0.02 -1.26 -4.44 135.00 130.96 5r1r s PRO 445 Ca 0.01 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.14 5r1r s PRO 445 Cb 0.03 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 32.00 5r1r s PRO 445 CO -0.08 -0.76 0.14 0.95 -0.33 0.00 0.00 177.00 176.92 5r1r s THR 446 N -1.30 0.08 -0.03 0.99 -4.23 -1.26 -4.32 115.64 105.57 5r1r s THR 446 Ca 0.63 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 5r1r s THR 446 Cb -0.39 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.04 5r1r s THR 446 CO 0.48 -0.37 -0.06 -0.54 -0.54 0.00 0.00 174.62 173.58 5r1r s LYS 447 N -1.36 0.82 0.63 3.99 1.02 -0.39 -4.88 119.74 119.57 5r1r s LYS 447 Ca -0.14 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.46 5r1r s LYS 447 Cb -0.08 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 5r1r s LYS 447 CO 0.02 0.03 1.15 -2.30 -0.92 0.00 0.00 175.35 173.32 5r1r n PRO 448 N 3.56 1.03 -3.91 -1.68 -0.02 -1.25 -0.71 135.00 132.02 5r1r n PRO 448 Ca -0.21 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 5r1r n PRO 448 Cb 0.53 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 5r1r n PRO 448 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 5r1r s LEU 449 N -3.32 4.35 0.00 2.45 1.02 -1.26 -4.40 118.68 117.52 5r1r s LEU 449 Ca 0.80 0.34 0.20 0.00 0.02 0.00 0.00 54.13 55.48 5r1r s LEU 449 Cb -0.40 -2.57 -0.18 0.00 0.02 0.00 0.00 46.19 43.06 5r1r s LEU 449 CO 0.43 0.27 0.87 0.59 0.02 0.00 0.00 176.35 178.53 5r1r n ASN 450 N 1.00 1.10 -3.49 2.29 3.02 -1.26 -3.98 115.26 113.94 5r1r n ASN 450 Ca -0.11 -1.05 -0.11 0.00 -0.03 0.00 0.00 54.58 53.28 5r1r n ASN 450 Cb 0.53 0.91 -0.03 0.00 -0.61 0.00 0.00 39.78 40.58 5r1r n ASN 450 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 5r1r s ASP 451 N -2.77 -0.47 0.40 6.41 2.15 -1.26 -4.49 116.67 116.64 5r1r s ASP 451 Ca 0.09 0.14 0.07 0.00 0.43 0.00 0.00 52.55 53.28 5r1r s ASP 451 Cb 0.15 0.47 0.82 0.00 -0.30 0.00 0.00 42.92 44.06 5r1r s ASP 451 CO 0.76 -0.70 2.03 1.62 -0.17 0.00 0.00 175.17 178.70 5r1r h VAL 452 N 2.20 1.08 -0.47 1.11 3.04 -1.91 -2.43 116.25 118.87 5r1r h VAL 452 Ca -0.26 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 5r1r h VAL 452 Cb 1.24 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 5r1r h VAL 452 CO 0.34 0.11 0.00 0.59 -1.01 0.00 0.00 177.57 177.61 5r1r n ASN 453 N -4.47 4.54 -4.68 3.17 3.02 -1.26 -4.60 115.26 110.99 5r1r n ASN 453 Ca 0.06 -2.65 -0.46 0.00 -0.03 0.00 0.00 54.58 51.50 5r1r n ASN 453 Cb 0.12 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 5r1r n ASN 453 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 5r1r n ASP 454 N 0.57 3.59 0.06 6.41 -0.08 -0.92 -4.85 116.55 121.34 5r1r n ASP 454 Ca 0.22 0.98 0.13 0.00 -1.51 0.00 0.00 54.79 54.61 5r1r n ASP 454 Cb 0.94 -1.43 0.36 0.00 2.34 0.00 0.00 41.12 43.32 5r1r n ASP 454 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 5r1r n GLU 455 N 6.09 0.20 -0.43 -0.67 -0.58 -1.26 -3.29 120.64 120.69 5r1r n GLU 455 Ca 0.21 0.12 0.11 0.00 -0.42 0.00 0.00 57.16 57.17 5r1r n GLU 455 Cb 0.32 -1.68 0.33 0.00 -0.57 0.00 0.00 31.44 29.84 5r1r n GLU 455 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 5r1r n ASN 456 N -2.00 4.13 -4.96 1.62 4.13 -1.26 -4.85 115.26 112.07 5r1r n ASN 456 Ca 0.05 -2.12 -0.22 0.00 1.68 0.00 0.00 54.58 53.97 5r1r n ASN 456 Cb 0.41 -0.50 0.01 0.00 -1.54 0.00 0.00 39.78 38.15 5r1r n ASN 456 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 5r1r s GLY 457 N -0.98 1.59 -0.04 7.41 0.00 -1.21 -4.89 107.32 109.20 5r1r s GLY 457 Ca 0.49 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 5r1r s GLY 457 CO 0.30 -0.97 0.03 1.85 0.00 0.00 0.00 173.10 174.31 5r1r s GLU 458 N -4.51 0.14 -0.15 2.90 2.12 0.11 -4.45 118.70 114.86 5r1r s GLU 458 Ca 0.48 0.24 -0.01 0.00 0.36 0.00 0.00 54.97 56.04 5r1r s GLU 458 Cb -0.10 -0.55 -0.01 0.00 0.26 0.00 0.00 34.13 33.72 5r1r s GLU 458 CO 0.37 -0.26 -0.10 0.42 -0.54 0.00 0.00 175.26 175.15 5r1r s ILE 459 N 1.73 3.20 0.21 -3.70 1.01 0.36 -1.26 121.20 122.75 5r1r s ILE 459 Ca -0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 5r1r s ILE 459 Cb -0.13 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 5r1r s ILE 459 CO -0.03 0.50 0.66 0.00 0.00 0.00 0.00 174.94 176.07 5r1r s ALA 460 N 0.62 3.46 0.44 9.38 0.00 -0.96 -4.24 121.76 130.46 5r1r s ALA 460 Ca -0.06 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.00 5r1r s ALA 460 Cb -0.15 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 5r1r s ALA 460 CO 0.03 0.37 0.01 -0.51 0.00 0.00 0.00 175.76 175.66 5r1r s LEU 461 N -2.11 2.71 -0.54 0.00 1.43 -1.26 0.34 118.68 119.25 5r1r s LEU 461 Ca 0.43 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 5r1r s LEU 461 Cb -0.15 -0.85 0.14 0.00 0.03 0.00 0.00 46.19 45.36 5r1r s LEU 461 CO 0.20 -0.57 0.44 0.00 0.23 0.00 0.00 176.35 176.65 5r1r s THR 463 N 1.22 4.71 0.33 0.00 2.01 -1.26 -4.35 115.64 118.30 5r1r s THR 463 Ca 0.07 -1.68 0.09 0.00 0.31 0.00 0.00 61.69 60.48 5r1r s THR 463 Cb -0.25 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 5r1r s THR 463 CO -0.01 -0.83 0.03 -0.76 -0.69 0.00 0.00 174.62 172.36 5r1r s LEU 464 N 1.44 3.05 -0.14 4.42 1.43 -1.26 0.28 118.68 127.90 5r1r s LEU 464 Ca 0.05 -0.90 -0.34 0.00 -1.03 0.00 0.00 54.13 51.91 5r1r s LEU 464 Cb -0.28 -1.47 0.13 0.00 0.03 0.00 0.00 46.19 44.61 5r1r s LEU 464 CO 0.01 -0.20 1.22 -0.55 0.23 0.00 0.00 176.35 177.06 5r1r s SER 465 N -3.73 -0.12 -0.01 2.29 0.15 -1.03 -4.47 113.70 106.78 5r1r s SER 465 Ca 0.35 -0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 5r1r s SER 465 Cb -0.02 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 5r1r s SER 465 CO 0.20 -0.27 0.20 0.00 1.20 0.00 0.00 173.24 174.57 5r1r s ALA 466 N -2.45 -0.50 0.01 5.45 0.00 -0.95 -0.59 121.76 122.74 5r1r s ALA 466 Ca 0.11 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 5r1r s ALA 466 Cb 0.01 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 5r1r s ALA 466 CO -0.04 -0.22 0.64 -0.06 0.00 0.00 0.00 175.76 176.08 5r1r s PHE 467 N -1.32 3.70 -0.67 0.00 0.08 0.89 0.60 117.98 121.27 5r1r s PHE 467 Ca -0.14 1.28 -0.23 0.00 0.12 0.00 0.00 56.93 57.97 5r1r s PHE 467 Cb -0.07 -2.67 0.07 0.00 -0.57 0.00 0.00 43.02 39.79 5r1r s PHE 467 CO 0.02 0.33 0.98 1.21 -0.10 0.00 0.00 175.22 177.66 5r1r s ASN 468 N -0.16 6.19 0.44 1.36 3.84 0.19 -1.55 114.94 125.25 5r1r s ASN 468 Ca 0.33 -1.01 0.30 0.00 0.21 0.00 0.00 52.86 52.69 5r1r s ASN 468 Cb -0.19 -2.42 1.55 0.00 -0.55 0.00 0.00 41.25 39.64 5r1r s ASN 468 CO 0.19 -1.44 1.92 -0.07 -2.79 0.00 0.00 177.10 174.90 5r1r h LEU 469 N 11.36 0.00 -0.60 3.21 3.38 -1.64 -0.53 115.31 130.49 5r1r h LEU 469 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 5r1r h LEU 469 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 5r1r h LEU 469 CO 1.18 0.00 -0.16 1.23 0.09 0.00 0.00 178.44 180.79 5r1r h GLY 470 N 0.52 0.00 -0.95 0.83 0.00 -1.76 -3.33 103.07 98.38 5r1r h GLY 470 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 5r1r h GLY 470 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.16 5r1r n ALA 471 N -2.15 3.33 -2.64 3.60 0.00 -0.21 -4.95 120.51 117.48 5r1r n ALA 471 Ca 0.02 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.55 5r1r n ALA 471 Cb 0.50 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 5r1r n ALA 471 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 5r1r s ILE 472 N -2.19 5.13 -0.23 0.00 -4.36 -1.22 -4.92 121.20 113.41 5r1r s ILE 472 Ca 0.17 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.45 5r1r s ILE 472 Cb 0.16 -3.65 -0.17 0.00 1.25 0.00 0.00 42.46 40.06 5r1r s ILE 472 CO 0.48 -0.03 -0.05 0.59 0.24 0.00 0.00 174.94 176.17 5r1r n ASN 473 N -0.12 1.95 -4.28 4.36 3.02 -1.26 -4.99 115.26 113.93 5r1r n ASN 473 Ca -0.02 0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 54.67 5r1r n ASN 473 Cb 0.52 -0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 5r1r n ASN 473 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 5r1r s ASN 474 N -7.10 1.88 0.43 6.41 6.03 -1.26 -5.04 114.94 116.29 5r1r s ASN 474 Ca -0.33 -1.07 0.30 0.00 -1.03 0.00 0.00 52.86 50.73 5r1r s ASN 474 Cb 0.10 -0.02 1.42 0.00 -3.03 0.00 0.00 41.25 39.72 5r1r s ASN 474 CO 0.57 -0.37 1.90 -0.07 -2.03 0.00 0.00 177.10 177.11 5r1r h LEU 475 N 2.67 0.00 0.00 3.54 3.38 -2.01 -2.03 115.31 120.86 5r1r h LEU 475 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 5r1r h LEU 475 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 5r1r h LEU 475 CO 0.64 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.64 5r1r n ASP 476 N -2.62 0.00 -0.02 -0.43 8.00 -1.26 -1.31 116.55 118.91 5r1r n ASP 476 Ca -0.00 -0.14 0.15 0.00 0.71 0.00 0.00 54.79 55.50 5r1r n ASP 476 Cb 0.17 -0.26 0.70 0.00 -0.02 0.00 0.00 41.12 41.71 5r1r n ASP 476 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 5r1r n GLU 477 N -1.26 0.41 0.17 -1.24 1.02 -0.76 -3.40 120.64 115.58 5r1r n GLU 477 Ca 0.13 -0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 5r1r n GLU 477 Cb 0.19 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.29 5r1r n GLU 477 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 5r1r h LEU 478 N 0.10 0.00 -0.18 -4.62 3.38 -1.40 -2.95 115.31 109.64 5r1r h LEU 478 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 5r1r h LEU 478 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 5r1r h LEU 478 CO 0.00 0.37 0.11 -0.08 0.09 0.00 0.00 178.44 178.93 5r1r h GLU 479 N 0.00 0.22 -0.35 1.13 4.81 -1.75 0.88 114.58 119.53 5r1r h GLU 479 Ca -0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 5r1r h GLU 479 Cb 1.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 5r1r h GLU 479 CO 0.05 0.14 -0.09 1.49 -0.73 0.00 0.00 179.01 179.87 5r1r h GLU 480 N 0.22 0.68 -0.43 1.92 4.57 -1.79 -2.70 114.58 117.06 5r1r h GLU 480 Ca 0.07 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.88 5r1r h GLU 480 Cb -0.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 5r1r h GLU 480 CO -0.03 0.85 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.44 5r1r h LEU 481 N 0.47 0.80 0.02 1.64 3.38 -1.24 -1.90 115.31 118.48 5r1r h LEU 481 Ca 0.09 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.81 5r1r h LEU 481 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 5r1r h LEU 481 CO 0.04 0.95 -0.05 0.00 0.09 0.00 0.00 178.44 179.47 5r1r h ALA 482 N 1.12 -0.07 -0.42 1.53 0.00 0.83 0.19 119.26 122.44 5r1r h ALA 482 Ca 0.11 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.07 5r1r h ALA 482 Cb 0.64 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 5r1r h ALA 482 CO 0.04 -0.55 -0.55 0.82 0.00 0.00 0.00 179.25 179.02 5r1r h ILE 483 N -0.10 0.01 -0.26 0.00 2.04 -1.24 0.15 117.51 118.11 5r1r h ILE 483 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 5r1r h ILE 483 Cb 0.11 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 5r1r h ILE 483 CO -0.04 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.15 5r1r h LEU 484 N -0.39 0.13 0.15 1.44 4.07 -0.83 0.13 115.31 120.01 5r1r h LEU 484 Ca 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 5r1r h LEU 484 Cb 0.59 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 5r1r h LEU 484 CO -0.60 0.11 -0.08 0.00 -1.08 0.00 0.00 178.44 176.79 5r1r h ALA 485 N 1.15 -0.21 0.01 1.53 0.00 -0.20 -1.50 119.26 120.04 5r1r h ALA 485 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 5r1r h ALA 485 Cb 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 5r1r h ALA 485 CO -0.10 -0.62 -0.01 0.28 0.00 0.00 0.00 179.25 178.80 5r1r h VAL 486 N -0.21 0.98 -0.38 0.00 2.07 -0.60 -1.70 116.25 116.41 5r1r h VAL 486 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 5r1r h VAL 486 Cb 0.17 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 5r1r h VAL 486 CO 0.02 0.00 0.20 0.03 0.02 0.00 0.00 177.57 177.85 5r1r h ARG 487 N -0.02 0.40 -0.80 1.57 3.08 -0.70 -0.69 114.38 117.22 5r1r h ARG 487 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 5r1r h ARG 487 Cb 0.02 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 5r1r h ARG 487 CO -0.00 0.27 0.37 0.00 -1.07 0.00 0.00 179.97 179.54 5r1r h ALA 488 N 1.19 1.15 -0.15 0.04 0.00 -1.15 -1.43 119.26 118.91 5r1r h ALA 488 Ca 0.16 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 5r1r h ALA 488 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 5r1r h ALA 488 CO -0.10 0.64 -0.48 -0.07 0.00 0.00 0.00 179.25 179.24 5r1r h LEU 489 N 1.14 0.69 -0.86 0.00 3.38 -1.03 -1.29 115.31 117.35 5r1r h LEU 489 Ca 0.27 -0.60 0.15 0.00 0.09 0.00 0.00 57.88 57.80 5r1r h LEU 489 Cb 0.13 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 5r1r h LEU 489 CO -0.03 1.17 0.44 -0.78 0.09 0.00 0.00 178.44 179.32 5r1r h ASP 490 N 0.25 0.51 -0.50 -0.43 3.58 -0.90 0.68 116.42 119.62 5r1r h ASP 490 Ca -0.02 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 5r1r h ASP 490 Cb 1.11 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 5r1r h ASP 490 CO 0.10 0.20 0.14 0.00 -2.88 0.00 0.00 179.24 176.81 5r1r h ALA 491 N 1.57 0.66 -0.61 -0.78 0.00 -1.16 -2.87 119.26 116.07 5r1r h ALA 491 Ca 0.47 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.25 5r1r h ALA 491 Cb 0.70 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 5r1r h ALA 491 CO -0.38 0.33 0.31 1.25 0.00 0.00 0.00 179.25 180.76 5r1r h LEU 492 N 0.68 0.45 -0.86 0.00 5.85 0.15 -0.08 115.31 121.50 5r1r h LEU 492 Ca 0.16 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.14 5r1r h LEU 492 Cb 0.29 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.13 5r1r h LEU 492 CO -0.00 0.29 0.13 -0.07 -0.34 0.00 0.00 178.44 178.45 5r1r h LEU 493 N 0.59 -0.19 0.00 2.25 3.38 -0.87 0.34 115.31 120.80 5r1r h LEU 493 Ca 0.28 0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.40 5r1r h LEU 493 Cb 0.20 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 5r1r h LEU 493 CO -0.19 -0.20 -0.51 0.44 0.09 0.00 0.00 178.44 178.07 5r1r h ASP 494 N 0.14 0.00 -0.10 -0.43 3.32 -1.11 -3.36 116.42 114.88 5r1r h ASP 494 Ca 0.52 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.33 5r1r h ASP 494 Cb 1.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.58 5r1r h ASP 494 CO -0.71 0.27 -0.87 0.22 -1.72 0.00 0.00 179.24 176.43 5r1r h TYR 495 N 0.00 1.07 -4.13 4.55 3.20 0.12 -3.47 116.97 118.31 5r1r h TYR 495 Ca -0.02 -0.51 -0.49 0.00 3.14 0.00 0.00 58.73 60.85 5r1r h TYR 495 Cb 1.23 -0.15 0.07 0.00 1.54 0.00 0.00 36.73 39.41 5r1r h TYR 495 CO 0.00 1.35 0.32 1.14 -1.64 0.00 0.00 178.16 179.32 5r1r s GLN 496 N -3.60 3.02 0.09 1.82 -2.07 -0.51 -5.00 119.66 113.40 5r1r s GLN 496 Ca -0.10 0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.77 5r1r s GLN 496 Cb 0.08 -2.13 -0.04 0.00 -1.09 0.00 0.00 33.01 29.83 5r1r s GLN 496 CO 0.91 -0.81 0.25 -0.51 -1.32 0.00 0.00 175.29 173.80 5r1r s ASP 497 N -4.30 6.36 -0.27 12.60 1.01 -0.18 -5.00 116.67 126.88 5r1r s ASP 497 Ca 0.56 0.27 0.01 0.00 0.71 0.00 0.00 52.55 54.09 5r1r s ASP 497 Cb -0.11 -1.96 0.05 0.00 1.01 0.00 0.00 42.92 41.92 5r1r s ASP 497 CO 0.49 0.12 -0.07 -0.31 0.21 0.00 0.00 175.17 175.61 5r1r s TYR 498 N -1.59 3.23 0.50 4.23 1.51 -1.26 -4.83 117.35 119.12 5r1r s TYR 498 Ca 0.35 -2.07 0.19 0.00 -1.01 0.00 0.00 57.07 54.53 5r1r s TYR 498 Cb -0.12 -2.00 1.29 0.00 -0.11 0.00 0.00 41.96 41.02 5r1r s TYR 498 CO 0.28 -0.84 2.11 -1.00 -1.11 0.00 0.00 175.55 174.99 5r1r h PRO 499 N 7.88 0.00 -4.90 -1.71 0.13 -1.98 -3.42 132.00 128.00 5r1r h PRO 499 Ca -0.22 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.31 5r1r h PRO 499 Cb 1.06 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.85 5r1r h PRO 499 CO 0.50 0.07 -0.85 0.42 -0.23 0.00 0.00 178.00 177.92 5r1r s ILE 500 N -4.76 1.61 0.26 -3.56 -1.09 -1.26 -5.04 121.20 107.36 5r1r s ILE 500 Ca -0.04 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.53 5r1r s ILE 500 Cb 0.16 -1.44 0.38 0.00 -1.58 0.00 0.00 42.46 39.98 5r1r s ILE 500 CO 0.65 0.46 1.56 -0.65 -1.23 0.00 0.00 174.94 175.73 5r1r h PRO 501 N 7.07 -0.00 -0.16 2.79 0.11 -1.81 0.22 132.00 140.21 5r1r h PRO 501 Ca -0.27 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.88 5r1r h PRO 501 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 5r1r h PRO 501 CO 0.48 -0.00 0.17 0.00 -0.21 0.00 0.00 178.00 178.44 5r1r h ALA 502 N 1.79 1.80 0.20 -0.75 0.00 -1.78 -0.67 119.26 119.85 5r1r h ALA 502 Ca 0.43 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 55.02 5r1r h ALA 502 Cb 0.68 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.50 5r1r h ALA 502 CO -0.99 -0.25 -1.41 0.00 0.00 0.00 0.00 179.25 176.59 5r1r h ALA 503 N 1.81 -0.04 -0.28 0.00 0.00 -0.74 0.11 119.26 120.12 5r1r h ALA 503 Ca 0.08 -0.89 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 5r1r h ALA 503 Cb 0.42 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 5r1r h ALA 503 CO -0.00 0.83 0.11 -0.22 0.00 0.00 0.00 179.25 179.97 5r1r h LYS 504 N 0.12 0.41 -0.50 0.00 3.64 -1.13 -2.57 116.57 116.53 5r1r h LYS 504 Ca -0.22 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.18 5r1r h LYS 504 Cb 2.09 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.74 5r1r h LYS 504 CO 0.24 0.44 -0.32 0.00 -2.27 0.00 0.00 179.45 177.54 5r1r h ARG 505 N 0.30 -0.19 -0.58 1.90 2.47 -1.21 -0.79 114.38 116.28 5r1r h ARG 505 Ca 0.09 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.73 5r1r h ARG 505 Cb 0.18 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 5r1r h ARG 505 CO -0.01 -0.13 0.00 0.78 0.56 0.00 0.00 179.97 181.18 5r1r h GLY 506 N -0.19 1.11 0.72 0.04 0.00 -1.40 0.84 103.07 104.18 5r1r h GLY 506 Ca 0.21 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 5r1r h GLY 506 CO -0.61 0.75 -0.02 0.00 0.00 0.00 0.00 176.54 176.66 5r1r h ALA 507 N 0.97 -0.06 -0.15 3.60 0.00 -0.95 0.25 119.26 122.93 5r1r h ALA 507 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 5r1r h ALA 507 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 5r1r h ALA 507 CO 0.03 -0.40 -0.48 0.52 0.00 0.00 0.00 179.25 178.93 5r1r h MET 508 N -0.34 0.38 0.69 0.00 2.86 -1.18 0.80 114.93 118.15 5r1r h MET 508 Ca -0.01 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 5r1r h MET 508 Cb 0.31 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.99 5r1r h MET 508 CO 0.01 0.78 -0.33 0.78 1.06 0.00 0.00 176.91 179.21 5r1r h GLY 509 N 1.21 -0.97 -0.03 8.32 0.00 -0.78 -3.39 103.07 107.44 5r1r h GLY 509 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.71 5r1r h GLY 509 CO 0.08 -0.35 -0.62 0.54 0.00 0.00 0.00 176.54 176.19 5r1r n ARG 510 N -5.42 2.55 -4.11 4.80 1.74 0.07 -1.44 116.66 114.85 5r1r n ARG 510 Ca -0.13 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.64 5r1r n ARG 510 Cb 0.39 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 5r1r n ARG 510 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 5r1r n ARG 511 N -1.27 -2.47 -2.82 5.56 1.74 0.28 -1.33 116.66 116.34 5r1r n ARG 511 Ca 0.03 0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.99 5r1r n ARG 511 Cb 0.21 -4.28 -0.04 0.00 -1.02 0.00 0.00 32.46 27.34 5r1r n ARG 511 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 5r1r s THR 512 N -4.03 4.92 0.23 0.55 -4.23 -1.26 -3.71 115.64 108.11 5r1r s THR 512 Ca 0.08 1.84 0.11 0.00 -1.18 0.00 0.00 61.69 62.54 5r1r s THR 512 Cb -0.05 -4.22 -0.05 0.00 1.34 0.00 0.00 72.50 69.53 5r1r s THR 512 CO 0.93 0.17 -0.21 -0.76 -0.54 0.00 0.00 174.62 174.21 5r1r s LEU 513 N 1.11 2.51 -0.42 4.79 1.43 0.21 -4.31 118.68 123.99 5r1r s LEU 513 Ca 0.46 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 5r1r s LEU 513 Cb -0.19 -1.08 0.13 0.00 0.03 0.00 0.00 46.19 45.08 5r1r s LEU 513 CO 0.23 0.05 0.22 -0.83 0.23 0.00 0.00 176.35 176.26 5r1r s GLY 514 N -3.07 1.54 -0.17 -3.19 0.00 0.14 -2.93 107.32 99.65 5r1r s GLY 514 Ca 0.24 -2.45 -0.07 0.00 0.00 0.00 0.00 44.72 42.44 5r1r s GLY 514 CO 0.12 1.60 0.08 -0.42 0.00 0.00 0.00 173.10 174.48 5r1r s ILE 515 N 0.53 5.00 0.00 0.90 1.01 0.59 -2.48 121.20 126.75 5r1r s ILE 515 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.86 5r1r s ILE 515 Cb -0.24 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 38.99 5r1r s ILE 515 CO -0.01 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.03 5r1r n GLY 516 N 3.16 5.47 3.69 6.18 0.00 0.24 -1.72 105.19 122.21 5r1r n GLY 516 Ca -0.17 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 5r1r n GLY 516 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 5r1r s VAL 517 N -0.76 2.90 0.05 1.61 -7.23 -1.26 -0.07 120.40 115.64 5r1r s VAL 517 Ca 0.00 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 5r1r s VAL 517 Cb 0.00 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 5r1r s VAL 517 CO 0.00 -0.20 0.05 0.27 -0.31 0.00 0.00 175.10 174.90 5r1r s ILE 518 N -2.45 0.17 -0.47 -0.62 -4.36 -0.59 -4.31 121.20 108.57 5r1r s ILE 518 Ca 0.36 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 5r1r s ILE 518 Cb -0.02 -1.22 0.00 0.00 1.25 0.00 0.00 42.46 42.48 5r1r s ILE 518 CO 0.21 -0.79 0.00 -3.20 0.24 0.00 0.00 174.94 171.40 5r1r n ASN 519 N 0.37 -3.58 -0.13 4.36 4.05 -0.09 -1.86 115.26 118.38 5r1r n ASN 519 Ca -0.16 0.11 -0.05 0.00 0.45 0.00 0.00 54.58 54.93 5r1r n ASN 519 Cb 0.60 -1.48 0.03 0.00 1.23 0.00 0.00 39.78 40.17 5r1r n ASN 519 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 5r1r h PHE 520 N 0.00 0.22 -0.08 1.20 3.57 -1.71 -0.34 116.94 119.80 5r1r h PHE 520 Ca -0.09 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.46 5r1r h PHE 520 Cb 0.31 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 5r1r h PHE 520 CO 0.13 0.07 -0.08 0.00 -2.23 0.00 0.00 178.31 176.20 5r1r h ALA 521 N 1.28 -0.02 -0.57 2.41 0.00 -1.80 0.41 119.26 120.98 5r1r h ALA 521 Ca 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 5r1r h ALA 521 Cb 0.20 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 5r1r h ALA 521 CO -0.22 -0.55 0.23 -0.92 0.00 0.00 0.00 179.25 177.79 5r1r h TYR 522 N -0.10 0.82 0.09 0.00 3.20 -1.86 -1.14 116.97 117.98 5r1r h TYR 522 Ca 0.06 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 5r1r h TYR 522 Cb 0.19 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.21 5r1r h TYR 522 CO -0.19 0.63 -0.04 -0.92 -1.64 0.00 0.00 178.16 176.00 5r1r h TYR 523 N 0.81 -0.12 -0.22 -3.82 3.20 -0.08 -1.40 116.97 115.35 5r1r h TYR 523 Ca 0.19 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 5r1r h TYR 523 Cb 0.16 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 5r1r h TYR 523 CO 0.01 -0.07 0.13 -0.07 -1.64 0.00 0.00 178.16 176.52 5r1r h LEU 524 N -0.12 0.26 -0.24 2.82 3.38 -0.45 -2.39 115.31 118.57 5r1r h LEU 524 Ca -0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 5r1r h LEU 524 Cb 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 5r1r h LEU 524 CO 0.02 0.20 -0.57 0.00 0.09 0.00 0.00 178.44 178.18 5r1r h ALA 525 N 1.85 0.39 -0.33 1.53 0.00 -0.72 0.41 119.26 122.38 5r1r h ALA 525 Ca 0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 5r1r h ALA 525 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 5r1r h ALA 525 CO -0.02 0.62 0.19 0.87 0.00 0.00 0.00 179.25 180.92 5r1r h LYS 526 N 0.56 0.45 -0.23 0.00 1.57 -0.78 -1.03 116.57 117.09 5r1r h LYS 526 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 5r1r h LYS 526 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.40 5r1r h LYS 526 CO 0.12 0.32 0.00 0.72 -0.57 0.00 0.00 179.45 180.05 5r1r n HIS 527 N -4.46 0.30 -2.90 -1.35 8.25 -0.98 -4.96 115.22 109.12 5r1r n HIS 527 Ca 0.02 -0.15 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 5r1r n HIS 527 Cb 0.09 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.23 5r1r n HIS 527 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 5r1r n GLY 528 N 1.21 -0.35 3.84 -1.41 0.00 -0.39 -5.02 105.19 103.08 5r1r n GLY 528 Ca 0.17 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 5r1r n GLY 528 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5r1r s LYS 529 N -5.52 2.36 0.23 1.61 -0.14 0.04 -5.03 119.74 113.30 5r1r s LYS 529 Ca 0.26 -1.76 0.01 0.00 -1.36 0.00 0.00 55.97 53.12 5r1r s LYS 529 Cb -0.11 -2.18 -0.05 0.00 -1.68 0.00 0.00 37.83 33.81 5r1r s LYS 529 CO 0.32 -0.27 0.09 1.03 -0.76 0.00 0.00 175.35 175.75 5r1r s ARG 530 N -4.09 1.31 -0.09 1.68 0.52 -1.26 -4.46 118.95 112.56 5r1r s ARG 530 Ca 0.42 -1.70 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 5r1r s ARG 530 Cb -0.01 -0.16 -0.26 0.00 0.52 0.00 0.00 34.95 35.04 5r1r s ARG 530 CO 0.24 -0.28 0.49 1.88 0.02 0.00 0.00 175.30 177.65 5r1r h TYR 531 N 2.49 0.42 -0.00 -0.53 -1.99 -1.96 -3.33 116.97 112.06 5r1r h TYR 531 Ca -0.38 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.05 5r1r h TYR 531 Cb 1.24 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.95 5r1r h TYR 531 CO 0.45 1.60 -0.30 -1.13 -0.00 0.00 0.00 178.16 178.79 5r1r n SER 532 N -3.41 0.48 -0.05 3.88 3.41 -1.26 -3.11 113.62 113.56 5r1r n SER 532 Ca -0.27 -0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.17 5r1r n SER 532 Cb 1.05 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.93 5r1r n SER 532 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 5r1r n ASP 533 N -1.27 1.09 0.00 4.04 5.68 -1.26 -4.04 116.55 120.79 5r1r n ASP 533 Ca 0.08 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 5r1r n ASP 533 Cb 0.33 0.95 0.00 0.00 -1.14 0.00 0.00 41.12 41.26 5r1r n ASP 533 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5r1r n GLY 534 N 1.48 0.75 0.07 6.12 0.00 -1.26 -4.94 105.19 107.41 5r1r n GLY 534 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 5r1r n GLY 534 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5r1r n SER 535 N 0.00 0.35 -0.70 1.61 3.41 -1.26 -2.51 113.62 114.52 5r1r n SER 535 Ca 0.00 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.27 5r1r n SER 535 Cb 0.00 -0.66 0.13 0.00 -0.26 0.00 0.00 64.21 63.42 5r1r n SER 535 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5r1r n ALA 536 N -1.65 2.34 0.25 7.33 0.00 -1.25 -4.71 120.51 122.82 5r1r n ALA 536 Ca 0.03 -0.92 -0.16 0.00 0.00 0.00 0.00 53.44 52.38 5r1r n ALA 536 Cb 0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 5r1r n ALA 536 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 5r1r h ASN 537 N 2.65 -1.25 -0.07 0.00 4.21 -1.82 0.22 115.58 119.51 5r1r h ASN 537 Ca 0.00 0.10 0.01 0.00 1.21 0.00 0.00 56.30 57.63 5r1r h ASN 537 Cb 0.70 0.42 -0.01 0.00 -1.12 0.00 0.00 38.32 38.30 5r1r h ASN 537 CO 0.00 -0.58 -0.01 0.78 -1.29 0.00 0.00 177.43 176.32 5r1r h ASN 538 N -0.88 -0.05 -0.64 5.81 2.35 -1.84 0.70 115.58 121.04 5r1r h ASN 538 Ca -0.05 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.82 5r1r h ASN 538 Cb 0.77 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.10 5r1r h ASN 538 CO -0.07 -0.02 0.25 0.25 -1.65 0.00 0.00 177.43 176.19 5r1r h LEU 539 N 0.01 0.25 0.02 1.61 5.85 -1.85 0.44 115.31 121.64 5r1r h LEU 539 Ca 0.03 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 5r1r h LEU 539 Cb 0.05 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 5r1r h LEU 539 CO -0.06 0.14 -0.03 0.74 -0.34 0.00 0.00 178.44 178.89 5r1r h THR 540 N 0.43 0.92 -0.54 1.05 2.02 0.23 0.30 112.91 117.33 5r1r h THR 540 Ca 0.33 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.61 5r1r h THR 540 Cb 0.41 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 67.66 5r1r h THR 540 CO -0.32 0.00 0.06 -0.74 0.37 0.00 0.00 175.52 174.89 5r1r h HIS 541 N -0.06 0.07 -0.45 3.16 -0.00 0.74 0.50 115.15 119.11 5r1r h HIS 541 Ca 0.01 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 5r1r h HIS 541 Cb 0.07 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 5r1r h HIS 541 CO -0.10 -0.07 0.29 -0.22 -0.00 0.00 0.00 177.93 177.83 5r1r h LYS 542 N 0.18 0.58 -0.11 5.26 3.64 0.25 -2.21 116.57 124.17 5r1r h LYS 542 Ca 0.27 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 5r1r h LYS 542 Cb 0.41 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 5r1r h LYS 542 CO -0.40 0.38 -0.45 1.15 -2.27 0.00 0.00 179.45 177.86 5r1r h THR 543 N 0.60 1.32 0.00 1.00 2.02 0.90 -2.20 112.91 116.56 5r1r h THR 543 Ca 0.17 -1.61 -0.15 0.00 0.77 0.00 0.00 66.41 65.59 5r1r h THR 543 Cb -0.05 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 5r1r h THR 543 CO -0.05 0.48 -1.25 -0.26 0.37 0.00 0.00 175.52 174.81 5r1r h PHE 544 N 0.21 0.00 -0.32 3.16 -1.00 -0.92 -1.97 116.94 116.10 5r1r h PHE 544 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 5r1r h PHE 544 Cb 0.88 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.42 5r1r h PHE 544 CO 0.02 0.54 0.16 1.49 -1.61 0.00 0.00 178.31 178.91 5r1r h GLU 545 N 0.00 0.45 -0.15 1.51 4.81 -1.37 -0.17 114.58 119.66 5r1r h GLU 545 Ca -0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 5r1r h GLU 545 Cb 1.52 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 5r1r h GLU 545 CO 0.05 0.40 0.09 0.00 -0.73 0.00 0.00 179.01 178.82 5r1r h ALA 546 N 1.02 0.19 -0.08 2.92 0.00 -1.39 0.20 119.26 122.12 5r1r h ALA 546 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 5r1r h ALA 546 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 5r1r h ALA 546 CO -0.02 -0.34 -0.15 0.82 0.00 0.00 0.00 179.25 179.57 5r1r h ILE 547 N 0.19 0.62 -0.40 0.00 2.04 -1.08 -1.66 117.51 117.22 5r1r h ILE 547 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 5r1r h ILE 547 Cb -0.01 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 5r1r h ILE 547 CO -0.02 0.00 -0.05 -0.61 0.00 0.00 0.00 178.15 177.47 5r1r h GLN 548 N -0.21 0.74 0.50 2.37 5.75 -0.75 -2.27 115.11 121.25 5r1r h GLN 548 Ca 0.08 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 5r1r h GLN 548 Cb 0.31 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 5r1r h GLN 548 CO -0.20 0.85 -0.29 -0.92 -2.65 0.00 0.00 178.83 175.62 5r1r h TYR 549 N 0.57 -0.77 0.00 3.99 3.20 -0.32 -0.28 116.97 123.36 5r1r h TYR 549 Ca 0.11 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 5r1r h TYR 549 Cb 0.55 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 5r1r h TYR 549 CO 0.04 -0.45 -0.12 1.88 -1.64 0.00 0.00 178.16 177.87 5r1r h TYR 550 N -0.75 0.00 -0.17 -3.82 0.05 -1.34 0.11 116.97 111.04 5r1r h TYR 550 Ca -0.06 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 5r1r h TYR 550 Cb 0.61 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.34 5r1r h TYR 550 CO -0.08 0.12 -0.15 -0.07 -1.05 0.00 0.00 178.16 176.92 5r1r h LEU 551 N 0.00 0.43 -0.53 3.88 3.38 -1.00 0.29 115.31 121.76 5r1r h LEU 551 Ca -0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 5r1r h LEU 551 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 5r1r h LEU 551 CO 0.02 0.81 0.25 -0.07 0.09 0.00 0.00 178.44 179.53 5r1r h LEU 552 N 0.06 0.71 -0.32 1.67 3.38 -0.50 -0.78 115.31 119.52 5r1r h LEU 552 Ca 0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 5r1r h LEU 552 Cb 0.68 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 5r1r h LEU 552 CO 0.04 0.65 0.15 0.50 0.09 0.00 0.00 178.44 179.87 5r1r h LYS 553 N 0.72 0.31 -0.53 1.13 3.64 -0.73 0.24 116.57 121.35 5r1r h LYS 553 Ca 0.18 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 5r1r h LYS 553 Cb 0.14 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 5r1r h LYS 553 CO -0.02 0.21 0.33 0.00 -2.27 0.00 0.00 179.45 177.69 5r1r h ALA 554 N 1.17 0.68 -0.47 5.00 0.00 -0.57 0.15 119.26 125.22 5r1r h ALA 554 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 5r1r h ALA 554 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 5r1r h ALA 554 CO -0.10 0.05 -0.05 1.03 0.00 0.00 0.00 179.25 180.17 5r1r h SER 555 N 0.65 0.80 -0.15 0.00 0.87 -0.56 -1.00 113.55 114.16 5r1r h SER 555 Ca 0.21 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 5r1r h SER 555 Cb -0.00 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 5r1r h SER 555 CO -0.08 0.90 -0.03 -1.13 -0.53 0.00 0.00 176.83 175.96 5r1r h ASN 556 N 0.76 0.29 -0.92 6.23 -0.00 -0.02 -0.35 115.58 121.56 5r1r h ASN 556 Ca 0.14 -0.36 0.14 0.00 -0.00 0.00 0.00 56.30 56.21 5r1r h ASN 556 Cb 0.53 -0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 38.70 5r1r h ASN 556 CO 0.03 0.58 0.59 -0.33 -0.00 0.00 0.00 177.43 178.30 5r1r h GLU 557 N -0.01 0.76 -0.08 6.67 4.39 -0.56 -0.87 114.58 124.88 5r1r h GLU 557 Ca 0.04 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 5r1r h GLU 557 Cb 0.45 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 5r1r h GLU 557 CO 0.01 0.50 -0.69 1.25 -1.16 0.00 0.00 179.01 178.93 5r1r h LEU 558 N 0.79 0.44 -0.50 1.33 5.85 -0.77 -2.78 115.31 119.66 5r1r h LEU 558 Ca 0.46 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 5r1r h LEU 558 Cb 0.64 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 5r1r h LEU 558 CO -0.22 1.00 -0.20 0.00 -0.34 0.00 0.00 178.44 178.67 5r1r h ALA 559 N 1.00 0.70 -0.24 1.25 0.00 0.30 0.09 119.26 122.36 5r1r h ALA 559 Ca -0.02 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.54 5r1r h ALA 559 Cb 1.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 5r1r h ALA 559 CO 0.12 0.68 -0.02 0.87 0.00 0.00 0.00 179.25 180.90 5r1r h LYS 560 N 0.88 0.05 0.04 0.00 1.57 -1.37 0.76 116.57 118.50 5r1r h LYS 560 Ca 0.12 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 5r1r h LYS 560 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 5r1r h LYS 560 CO 0.06 0.03 -0.02 1.49 -0.57 0.00 0.00 179.45 180.45 5r1r h GLU 561 N 0.05 -0.05 0.00 3.15 4.81 -1.18 -3.39 114.58 117.97 5r1r h GLU 561 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 5r1r h GLU 561 Cb 0.16 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 5r1r h GLU 561 CO -0.21 0.33 -0.03 1.04 -0.73 0.00 0.00 179.01 179.41 5r1r n GLN 562 N -4.93 1.95 0.00 1.92 6.02 -0.01 -5.11 117.38 117.21 5r1r n GLN 562 Ca -0.08 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 5r1r n GLN 562 Cb 0.21 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.53 5r1r n GLN 562 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5r1r n GLY 563 N -0.50 -0.72 3.71 1.08 0.00 0.26 -4.98 105.19 104.05 5r1r n GLY 563 Ca 0.02 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 5r1r n GLY 563 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5r1r s ALA 564 N -1.44 1.78 0.45 4.61 0.00 -1.25 -4.62 121.76 121.29 5r1r s ALA 564 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 5r1r s ALA 564 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 5r1r s ALA 564 CO 0.00 -2.38 1.44 0.00 0.00 0.00 0.00 175.76 174.82 5r1r n PRO 566 N -0.19 -0.09 -0.70 0.00 -0.02 -1.22 -0.64 135.00 132.14 5r1r n PRO 566 Ca 0.05 1.50 -0.01 0.00 -2.02 0.00 0.00 63.50 63.02 5r1r n PRO 566 Cb 0.41 -2.25 0.24 0.00 -0.02 0.00 0.00 33.50 31.89 5r1r n PRO 566 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 5r1r n TRP 567 N -5.57 1.67 -0.29 6.00 8.01 -0.52 -4.57 117.44 122.17 5r1r n TRP 567 Ca 0.15 -0.77 0.22 0.00 -1.31 0.00 0.00 57.50 55.79 5r1r n TRP 567 Cb 0.48 -0.49 0.52 0.00 -2.01 0.00 0.00 31.31 29.81 5r1r n TRP 567 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 5r1r h PHE 568 N 2.23 0.57 -0.15 -5.99 3.57 -1.12 0.21 116.94 116.25 5r1r h PHE 568 Ca 0.13 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 5r1r h PHE 568 Cb 1.77 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 5r1r h PHE 568 CO 0.87 0.10 0.35 -2.95 -2.23 0.00 0.00 178.31 174.45 5r1r h ASN 569 N 0.38 0.00 0.07 0.41 7.08 -1.83 -0.68 115.58 121.00 5r1r h ASN 569 Ca 0.53 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.75 5r1r h ASN 569 Cb 1.39 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.63 5r1r h ASN 569 CO -0.22 0.00 -0.07 -0.62 -2.08 0.00 0.00 177.43 174.43 5r1r n GLU 570 N -3.25 1.36 -2.51 4.14 1.02 0.74 -4.90 120.64 117.24 5r1r n GLU 570 Ca 0.01 -0.76 -0.28 0.00 -0.02 0.00 0.00 57.16 56.11 5r1r n GLU 570 Cb 0.45 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.38 5r1r n GLU 570 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 5r1r s THR 571 N -2.16 4.86 0.02 2.62 -4.23 -0.26 -1.33 115.64 115.15 5r1r s THR 571 Ca 0.34 0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.49 5r1r s THR 571 Cb 0.21 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.48 5r1r s THR 571 CO 0.39 -0.87 1.81 0.71 -0.54 0.00 0.00 174.62 176.13 5r1r h THR 572 N 0.22 0.33 -0.22 3.99 1.35 -0.80 -2.93 112.91 114.84 5r1r h THR 572 Ca -0.46 -1.00 0.01 0.00 -0.55 0.00 0.00 66.41 64.40 5r1r h THR 572 Cb 1.20 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 5r1r h THR 572 CO 0.62 0.14 0.13 1.88 -0.25 0.00 0.00 175.52 178.04 5r1r h TYR 573 N 0.00 0.25 -0.84 4.73 0.05 -1.70 -1.40 116.97 118.05 5r1r h TYR 573 Ca -0.00 0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.97 5r1r h TYR 573 Cb 0.76 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 38.36 5r1r h TYR 573 CO 0.00 0.15 0.56 0.00 -1.05 0.00 0.00 178.16 177.82 5r1r h ALA 574 N 1.09 2.19 -0.28 3.88 0.00 -1.71 -0.03 119.26 124.40 5r1r h ALA 574 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 5r1r h ALA 574 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 5r1r h ALA 574 CO -0.04 -0.44 0.00 1.63 0.00 0.00 0.00 179.25 180.41 5r1r n LYS 575 N -4.49 2.34 -1.10 0.00 5.02 -0.96 -4.80 118.16 114.17 5r1r n LYS 575 Ca 0.17 -1.30 -0.03 0.00 -2.02 0.00 0.00 58.31 55.13 5r1r n LYS 575 Cb 0.63 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 5r1r n LYS 575 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5r1r n GLY 576 N 0.56 0.65 3.74 0.72 0.00 -0.03 -5.04 105.19 105.80 5r1r n GLY 576 Ca 0.12 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 5r1r n GLY 576 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5r1r s ILE 577 N -2.08 5.26 0.25 -0.61 1.01 -0.57 -5.02 121.20 119.44 5r1r s ILE 577 Ca 0.00 0.66 0.12 0.00 0.00 0.00 0.00 60.65 61.43 5r1r s ILE 577 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 5r1r s ILE 577 CO 0.00 0.40 -0.20 -0.76 0.00 0.00 0.00 174.94 174.38 5r1r s LEU 578 N 0.32 2.58 0.22 2.97 1.43 -1.26 -3.85 118.68 121.09 5r1r s LEU 578 Ca 0.19 -0.96 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 5r1r s LEU 578 Cb -0.14 -1.16 0.31 0.00 0.03 0.00 0.00 46.19 45.24 5r1r s LEU 578 CO 0.06 0.06 1.66 -0.65 0.23 0.00 0.00 176.35 177.72 5r1r h PRO 579 N 2.54 0.12 0.00 1.29 0.10 -1.94 1.10 132.00 135.21 5r1r h PRO 579 Ca -0.42 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.67 5r1r h PRO 579 Cb 1.24 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.32 5r1r h PRO 579 CO 0.56 0.08 0.03 0.44 0.10 0.00 0.00 178.00 179.22 5r1r n ILE 580 N -5.28 1.18 -0.06 4.15 -5.35 -1.26 -1.10 119.36 111.64 5r1r n ILE 580 Ca 0.10 0.33 -0.02 0.00 -0.27 0.00 0.00 62.75 62.89 5r1r n ILE 580 Cb 0.37 -1.33 -0.16 0.00 -1.74 0.00 0.00 39.64 36.78 5r1r n ILE 580 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 5r1r n ASP 581 N -1.28 0.20 -0.34 7.28 8.00 0.38 -4.68 116.55 126.10 5r1r n ASP 581 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 5r1r n ASP 581 Cb 0.03 1.37 0.07 0.00 -0.02 0.00 0.00 41.12 42.58 5r1r n ASP 581 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 5r1r n THR 582 N -2.52 0.67 -0.80 -3.53 -2.24 -0.25 -5.01 114.28 100.59 5r1r n THR 582 Ca -0.21 -0.84 -0.31 0.00 -2.27 0.00 0.00 64.05 60.42 5r1r n THR 582 Cb 0.90 0.71 0.15 0.00 -2.10 0.00 0.00 70.33 69.99 5r1r n THR 582 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 5r1r s TYR 583 N -0.85 1.71 -0.12 4.78 -0.85 -0.98 -4.41 117.35 116.62 5r1r s TYR 583 Ca 0.12 1.76 -0.29 0.00 -0.52 0.00 0.00 57.07 58.14 5r1r s TYR 583 Cb 0.07 -3.35 -0.04 0.00 0.38 0.00 0.00 41.96 39.01 5r1r s TYR 583 CO 0.09 -2.75 1.61 0.21 -1.52 0.00 0.00 175.55 173.19 5r1r s LYS 584 N -4.58 4.04 0.30 -3.49 2.47 -1.26 -4.91 119.74 112.32 5r1r s LYS 584 Ca 0.67 1.96 0.05 0.00 -1.56 0.00 0.00 55.97 57.09 5r1r s LYS 584 Cb -0.23 -3.99 0.80 0.00 -1.46 0.00 0.00 37.83 32.95 5r1r s LYS 584 CO 0.56 -1.00 1.63 1.57 0.16 0.00 0.00 175.35 178.27 5r1r h LYS 585 N 9.88 0.15 0.00 4.03 -0.00 -1.92 -2.36 116.57 126.36 5r1r h LYS 585 Ca -0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 5r1r h LYS 585 Cb 1.16 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 5r1r h LYS 585 CO 0.97 0.10 0.31 -0.44 -0.00 0.00 0.00 179.45 180.39 5r1r h ASP 586 N 0.16 0.00 -0.05 7.07 5.19 -1.91 -0.29 116.42 126.60 5r1r h ASP 586 Ca 0.60 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.99 5r1r h ASP 586 Cb 1.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 5r1r h ASP 586 CO -0.71 0.00 -0.01 -0.07 -3.12 0.00 0.00 179.24 175.33 5r1r h LEU 587 N 0.00 0.14 -0.92 1.55 3.38 -1.74 -2.13 115.31 115.60 5r1r h LEU 587 Ca 0.00 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.12 5r1r h LEU 587 Cb 0.62 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 5r1r h LEU 587 CO 0.00 0.18 0.51 0.44 0.09 0.00 0.00 178.44 179.67 5r1r h ASP 588 N 0.16 0.65 0.16 -0.43 3.32 -1.28 0.28 116.42 119.29 5r1r h ASP 588 Ca 0.04 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.18 5r1r h ASP 588 Cb 0.13 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.66 5r1r h ASP 588 CO 0.00 0.25 0.00 0.35 -1.72 0.00 0.00 179.24 178.12 5r1r n THR 589 N -4.82 0.53 -1.38 0.35 -2.24 -0.80 -3.41 114.28 102.51 5r1r n THR 589 Ca 0.20 0.13 0.04 0.00 -2.27 0.00 0.00 64.05 62.15 5r1r n THR 589 Cb 0.49 -0.94 0.06 0.00 -2.10 0.00 0.00 70.33 67.83 5r1r n THR 589 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 5r1r n ILE 590 N -1.21 0.89 -3.41 2.28 -5.35 0.08 -5.04 119.36 107.60 5r1r n ILE 590 Ca 0.06 -1.05 0.01 0.00 -0.27 0.00 0.00 62.75 61.51 5r1r n ILE 590 Cb 0.08 0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.15 5r1r n ILE 590 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 5r1r s ALA 591 N -1.31 -2.73 -1.48 -1.28 0.00 -1.18 -4.78 121.76 109.00 5r1r s ALA 591 Ca 0.14 2.03 0.22 0.00 0.00 0.00 0.00 51.96 54.35 5r1r s ALA 591 Cb 0.12 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.14 5r1r s ALA 591 CO 0.01 -0.87 1.03 0.27 0.00 0.00 0.00 175.76 176.20 5r1r n ASN 592 N 4.73 1.43 -4.57 0.00 6.94 -1.26 -4.74 115.26 117.79 5r1r n ASN 592 Ca -0.10 -1.19 -0.54 0.00 -0.02 0.00 0.00 54.58 52.73 5r1r n ASN 592 Cb 0.54 0.71 -0.07 0.00 -2.36 0.00 0.00 39.78 38.59 5r1r n ASN 592 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 5r1r n GLU 593 N -0.82 0.80 -3.13 -3.83 4.07 -1.26 -4.94 120.64 111.53 5r1r n GLU 593 Ca 0.07 0.29 -0.33 0.00 -0.06 0.00 0.00 57.16 57.12 5r1r n GLU 593 Cb 0.39 -1.89 -0.06 0.00 -0.06 0.00 0.00 31.44 29.82 5r1r n GLU 593 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 5r1r s PRO 594 N 0.48 4.05 0.28 5.31 0.04 -1.26 -4.98 135.00 138.92 5r1r s PRO 594 Ca 0.87 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 5r1r s PRO 594 Cb -1.06 -2.51 -0.11 0.00 0.04 0.00 0.00 34.50 30.87 5r1r s PRO 594 CO 0.51 0.20 1.50 -0.51 0.04 0.00 0.00 177.00 178.74 5r1r s LEU 595 N -2.80 4.37 0.00 -3.56 1.43 -1.26 -4.88 118.68 111.98 5r1r s LEU 595 Ca 0.52 2.81 0.23 0.00 -1.03 0.00 0.00 54.13 56.66 5r1r s LEU 595 Cb -0.11 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.59 5r1r s LEU 595 CO 0.18 -0.80 1.19 1.41 0.23 0.00 0.00 176.35 178.56 5r1r n HIS 596 N 2.13 0.00 -4.30 0.29 8.25 -1.26 -4.99 115.22 115.34 5r1r n HIS 596 Ca 0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.26 5r1r n HIS 596 Cb 0.39 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 5r1r n HIS 596 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 5r1r s TYR 597 N -2.21 2.61 -0.92 4.41 2.02 -1.26 -5.06 117.35 116.94 5r1r s TYR 597 Ca 0.24 -0.23 -0.24 0.00 -0.37 0.00 0.00 57.07 56.46 5r1r s TYR 597 Cb 0.19 -1.27 0.04 0.00 -0.40 0.00 0.00 41.96 40.52 5r1r s TYR 597 CO 0.42 0.52 1.41 0.34 -1.57 0.00 0.00 175.55 176.67 5r1r s ASP 598 N -2.86 6.34 0.20 2.29 -1.08 -1.26 -4.75 116.67 115.56 5r1r s ASP 598 Ca 0.25 -1.08 0.13 0.00 -0.52 0.00 0.00 52.55 51.33 5r1r s ASP 598 Cb -0.09 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.77 5r1r s ASP 598 CO 0.15 -1.66 1.31 -0.50 0.52 0.00 0.00 175.17 174.99 5r1r h TRP 599 N 9.97 0.00 -0.22 -5.34 4.06 -1.98 -3.09 115.95 119.34 5r1r h TRP 599 Ca 0.03 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.78 5r1r h TRP 599 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 5r1r h TRP 599 CO 1.23 0.66 -0.65 0.93 -3.56 0.00 0.00 178.44 177.05 5r1r h GLU 600 N 0.00 0.82 -0.00 0.49 4.39 -1.99 0.62 114.58 118.90 5r1r h GLU 600 Ca -0.03 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 5r1r h GLU 600 Cb 1.53 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.27 5r1r h GLU 600 CO 0.08 1.20 0.00 0.00 -1.16 0.00 0.00 179.01 179.14 5r1r h ALA 601 N 0.65 0.00 -0.71 3.43 0.00 -1.97 -2.52 119.26 118.15 5r1r h ALA 601 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 5r1r h ALA 601 Cb 1.26 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 5r1r h ALA 601 CO 0.14 -0.44 0.42 1.25 0.00 0.00 0.00 179.25 180.62 5r1r h LEU 602 N -0.11 0.65 -0.14 0.00 5.85 -1.43 -0.65 115.31 119.48 5r1r h LEU 602 Ca 0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 5r1r h LEU 602 Cb 0.12 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 5r1r h LEU 602 CO -0.00 0.42 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.13 5r1r h ARG 603 N 0.78 -0.35 0.00 1.25 2.43 0.64 0.43 114.38 119.56 5r1r h ARG 603 Ca 0.31 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 5r1r h ARG 603 Cb 0.15 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 5r1r h ARG 603 CO -0.16 -0.24 -0.01 0.93 -1.51 0.00 0.00 179.97 178.98 5r1r h GLU 604 N -0.37 -0.03 -0.90 0.20 4.39 -1.05 0.22 114.58 117.05 5r1r h GLU 604 Ca 0.10 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.96 5r1r h GLU 604 Cb 0.52 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.08 5r1r h GLU 604 CO -0.35 -0.02 0.49 1.03 -1.16 0.00 0.00 179.01 179.01 5r1r h SER 605 N -0.03 0.62 0.54 1.42 0.87 -0.46 0.12 113.55 116.64 5r1r h SER 605 Ca 0.01 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 5r1r h SER 605 Cb 0.03 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 5r1r h SER 605 CO -0.01 0.25 -0.26 0.40 -0.53 0.00 0.00 176.83 176.68 5r1r h ILE 606 N 0.68 0.36 -0.76 2.23 2.04 0.47 -1.26 117.51 121.27 5r1r h ILE 606 Ca 0.50 -0.34 0.17 0.00 1.00 0.00 0.00 64.86 66.19 5r1r h ILE 606 Cb 0.71 0.47 -0.13 0.00 -0.74 0.00 0.00 36.82 37.13 5r1r h ILE 606 CO -0.36 0.04 0.07 0.11 0.00 0.00 0.00 178.15 178.01 5r1r h LYS 607 N -0.97 0.15 0.29 2.37 1.57 0.11 1.11 116.57 121.19 5r1r h LYS 607 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 5r1r h LYS 607 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 5r1r h LYS 607 CO 0.12 0.10 -0.14 1.15 -0.57 0.00 0.00 179.45 180.11 5r1r h THR 608 N 0.15 0.00 -0.00 -0.16 2.02 -0.79 -3.38 112.91 110.74 5r1r h THR 608 Ca 0.43 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.46 5r1r h THR 608 Cb 0.76 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 5r1r h THR 608 CO -0.62 0.00 -0.67 1.41 0.37 0.00 0.00 175.52 176.00 5r1r n HIS 609 N -3.47 0.00 -4.36 3.16 8.25 -0.48 -5.08 115.22 113.24 5r1r n HIS 609 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 5r1r n HIS 609 Cb 0.15 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.12 5r1r n HIS 609 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 5r1r n GLY 610 N 1.49 -1.25 3.20 -1.41 0.00 0.38 -4.44 105.19 103.16 5r1r n GLY 610 Ca 0.05 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 5r1r n GLY 610 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5r1r s LEU 611 N 0.00 2.00 0.17 0.99 1.43 -1.26 -4.44 118.68 117.58 5r1r s LEU 611 Ca 0.00 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 5r1r s LEU 611 Cb 0.00 -1.10 0.07 0.00 0.03 0.00 0.00 46.19 45.19 5r1r s LEU 611 CO 0.00 0.22 1.83 -0.09 0.23 0.00 0.00 176.35 178.55 5r1r h ARG 612 N 5.91 0.67 -6.23 1.70 9.65 -1.72 -2.39 114.38 121.97 5r1r h ARG 612 Ca -0.36 -0.04 -0.69 0.00 -1.10 0.00 0.00 59.98 57.79 5r1r h ARG 612 Cb 1.16 -0.15 -0.22 0.00 -1.39 0.00 0.00 29.97 29.36 5r1r h ARG 612 CO 0.48 0.45 -0.75 -0.80 2.80 0.00 0.00 179.97 182.15 5r1r s ASN 613 N -5.66 4.22 0.46 -3.80 -0.87 -1.26 -2.92 114.94 105.11 5r1r s ASN 613 Ca -0.13 -0.15 0.27 0.00 -1.57 0.00 0.00 52.86 51.28 5r1r s ASN 613 Cb 0.12 -0.97 0.71 0.00 -0.02 0.00 0.00 41.25 41.09 5r1r s ASN 613 CO 0.74 0.34 1.74 0.28 -2.57 0.00 0.00 177.10 177.64 5r1r h SER 614 N 5.36 0.00 -4.47 -1.22 0.02 -1.29 -3.45 113.55 108.51 5r1r h SER 614 Ca -0.46 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 5r1r h SER 614 Cb 1.16 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.48 5r1r h SER 614 CO 0.51 0.00 -0.38 0.42 -1.14 0.00 0.00 176.83 176.24 5r1r s THR 615 N -3.35 0.04 0.00 -2.27 -4.23 -1.26 -4.86 115.64 99.70 5r1r s THR 615 Ca 0.05 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 5r1r s THR 615 Cb 0.07 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.44 5r1r s THR 615 CO 0.62 -0.17 0.00 0.18 -0.54 0.00 0.00 174.62 174.71 5r1r n LEU 616 N 2.06 0.00 -4.34 4.79 4.32 -1.15 -0.62 117.00 122.06 5r1r n LEU 616 Ca -0.18 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.54 5r1r n LEU 616 Cb 0.57 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.24 5r1r n LEU 616 CO 0.20 0.00 -0.55 -0.94 -1.22 0.00 0.00 177.39 174.88 5r1r s SER 617 N -1.12 2.96 -0.29 -1.43 1.04 -1.24 -0.30 113.70 113.32 5r1r s SER 617 Ca 0.00 -0.69 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 5r1r s SER 617 Cb 0.00 -0.20 0.13 0.00 0.10 0.00 0.00 66.02 66.05 5r1r s SER 617 CO 0.00 0.15 0.90 0.00 0.98 0.00 0.00 173.24 175.27 5r1r s ALA 618 N -1.04 -2.19 -0.65 5.32 0.00 -0.70 -1.71 121.76 120.78 5r1r s ALA 618 Ca 0.11 2.26 -0.16 0.00 0.00 0.00 0.00 51.96 54.17 5r1r s ALA 618 Cb -0.10 -1.65 0.16 0.00 0.00 0.00 0.00 23.12 21.53 5r1r s ALA 618 CO 0.05 -0.38 0.62 -0.51 0.00 0.00 0.00 175.76 175.54 5r1r s LEU 619 N 1.46 6.32 0.34 0.00 1.43 -0.71 -3.07 118.68 124.44 5r1r s LEU 619 Ca -0.09 -2.09 -0.04 0.00 -1.03 0.00 0.00 54.13 50.89 5r1r s LEU 619 Cb -0.04 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 5r1r s LEU 619 CO -0.16 -0.78 0.60 -0.04 0.23 0.00 0.00 176.35 176.19 5r1r s MET 620 N 1.19 3.59 0.98 1.70 -1.94 -1.26 -0.65 119.30 122.90 5r1r s MET 620 Ca 0.09 -0.03 -0.14 0.00 -1.71 0.00 0.00 55.69 53.90 5r1r s MET 620 Cb -0.22 -2.60 0.18 0.00 2.01 0.00 0.00 34.83 34.19 5r1r s MET 620 CO -0.01 0.12 1.15 -1.25 -0.01 0.00 0.00 175.02 175.02 5r1r s PRO 621 N -3.94 0.61 -0.37 2.03 0.04 -1.26 -4.74 135.00 127.37 5r1r s PRO 621 Ca 0.44 0.17 -0.05 0.00 0.04 0.00 0.00 61.00 61.60 5r1r s PRO 621 Cb -0.10 -1.79 0.21 0.00 0.04 0.00 0.00 34.50 32.86 5r1r s PRO 621 CO 0.34 -2.54 1.05 -1.54 0.04 0.00 0.00 177.00 174.35 5r1r s SER 622 N -4.04 -0.44 0.12 6.66 1.04 -1.26 -4.93 113.70 110.85 5r1r s SER 622 Ca 0.66 -0.52 -0.21 0.00 0.48 0.00 0.00 55.95 56.36 5r1r s SER 622 Cb -0.13 0.57 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 5r1r s SER 622 CO 0.54 -0.02 1.71 -0.08 0.98 0.00 0.00 173.24 176.38 5r1r h GLU 623 N 4.30 -0.02 0.63 4.02 4.57 -1.97 -2.03 114.58 124.08 5r1r h GLU 623 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 5r1r h GLU 623 Cb 1.16 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.76 5r1r h GLU 623 CO -0.09 -0.01 -0.30 1.15 -1.18 0.00 0.00 179.01 178.57 5r1r h THR 624 N -0.02 0.00 -0.89 0.32 2.02 -1.99 -2.03 112.91 110.32 5r1r h THR 624 Ca 0.07 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 66.99 5r1r h THR 624 Cb 0.13 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.46 5r1r h THR 624 CO -0.15 0.00 0.53 0.77 0.37 0.00 0.00 175.52 177.03 5r1r h SER 625 N -1.20 0.77 -0.69 4.18 4.64 -1.87 -1.29 113.55 118.09 5r1r h SER 625 Ca -0.09 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.32 5r1r h SER 625 Cb 0.64 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 5r1r h SER 625 CO 0.14 0.43 0.42 0.28 -0.87 0.00 0.00 176.83 177.23 5r1r h SER 626 N 0.87 0.67 -0.54 4.97 0.02 -1.37 -2.49 113.55 115.69 5r1r h SER 626 Ca 0.43 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.46 5r1r h SER 626 Cb 0.39 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 5r1r h SER 626 CO -0.25 0.46 0.22 1.56 -1.14 0.00 0.00 176.83 177.68 5r1r h GLN 627 N 0.81 0.41 -0.85 3.45 4.20 -0.48 -1.16 115.11 121.49 5r1r h GLN 627 Ca 0.29 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.05 5r1r h GLN 627 Cb 0.07 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 5r1r h GLN 627 CO -0.13 0.27 0.55 0.82 -0.67 0.00 0.00 178.83 179.68 5r1r h ILE 628 N 0.43 1.03 -0.17 2.54 1.08 -0.97 -1.63 117.51 119.80 5r1r h ILE 628 Ca 0.26 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 5r1r h ILE 628 Cb 0.25 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 5r1r h ILE 628 CO -0.23 0.17 0.00 -1.20 -0.69 0.00 0.00 178.15 176.19 5r1r n SER 629 N -4.50 1.75 -3.50 1.72 7.64 -0.82 -4.66 113.62 111.25 5r1r n SER 629 Ca 0.13 -1.72 -0.16 0.00 1.01 0.00 0.00 58.87 58.14 5r1r n SER 629 Cb 0.24 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 5r1r n SER 629 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 5r1r n ASN 630 N 0.38 -6.02 -4.09 6.43 5.15 -0.61 -4.99 115.26 111.50 5r1r n ASN 630 Ca 0.16 -0.63 -0.12 0.00 -0.60 0.00 0.00 54.58 53.39 5r1r n ASN 630 Cb 0.34 -3.19 -0.11 0.00 -0.53 0.00 0.00 39.78 36.29 5r1r n ASN 630 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 5r1r s ALA 631 N -3.03 0.69 0.61 5.20 0.00 -0.50 -4.68 121.76 120.04 5r1r s ALA 631 Ca 0.04 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 5r1r s ALA 631 Cb -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 5r1r s ALA 631 CO 0.84 -0.08 1.10 0.95 0.00 0.00 0.00 175.76 178.57 5r1r s THR 632 N -2.01 3.37 -0.07 0.00 -4.23 -1.26 -4.48 115.64 106.96 5r1r s THR 632 Ca -0.04 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 60.87 5r1r s THR 632 Cb -0.06 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 5r1r s THR 632 CO -0.01 -0.34 1.00 0.20 -0.54 0.00 0.00 174.62 174.94 5r1r s ASN 633 N -2.40 7.28 0.11 3.99 0.02 -1.26 -0.92 114.94 121.76 5r1r s ASN 633 Ca 0.68 1.58 0.00 0.00 -1.02 0.00 0.00 52.86 54.10 5r1r s ASN 633 Cb -0.20 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.51 5r1r s ASN 633 CO 0.36 -0.39 0.00 0.61 0.02 0.00 0.00 177.10 177.70 5r1r n GLY 634 N 3.04 2.31 0.92 0.66 0.00 -1.26 -0.70 105.19 110.15 5r1r n GLY 634 Ca 0.08 0.25 0.10 0.00 0.00 0.00 0.00 46.02 46.45 5r1r n GLY 634 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 5r1r n ILE 635 N 0.00 0.35 -2.82 -0.61 -5.35 -1.26 -2.39 119.36 107.28 5r1r n ILE 635 Ca 0.00 -0.68 -0.40 0.00 -0.27 0.00 0.00 62.75 61.40 5r1r n ILE 635 Cb 0.00 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 38.94 5r1r n ILE 635 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 5r1r s GLU 636 N -1.42 4.70 0.34 6.28 0.41 0.12 -4.54 118.70 124.59 5r1r s GLU 636 Ca 0.30 1.35 -0.29 0.00 -0.41 0.00 0.00 54.97 55.92 5r1r s GLU 636 Cb 0.18 -3.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.11 5r1r s GLU 636 CO 0.26 0.40 1.42 -1.25 -0.49 0.00 0.00 175.26 175.59 5r1r s PRO 637 N -0.63 4.22 0.60 0.39 0.04 -1.26 -4.26 135.00 134.10 5r1r s PRO 637 Ca 0.41 2.41 -0.19 0.00 0.04 0.00 0.00 61.00 63.67 5r1r s PRO 637 Cb -0.24 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 5r1r s PRO 637 CO 0.29 -0.39 1.28 -1.25 0.04 0.00 0.00 177.00 176.97 5r1r s PRO 638 N -1.73 2.89 0.10 0.56 0.04 -1.26 -4.42 135.00 131.17 5r1r s PRO 638 Ca 0.52 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 5r1r s PRO 638 Cb -0.43 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 5r1r s PRO 638 CO 0.56 -1.32 1.41 -0.09 0.04 0.00 0.00 177.00 177.60 5r1r h ARG 639 N 0.96 0.70 -3.50 4.56 2.43 -1.95 0.24 114.38 117.82 5r1r h ARG 639 Ca -0.51 -0.38 -0.14 0.00 -0.81 0.00 0.00 59.98 58.14 5r1r h ARG 639 Cb 1.31 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 5r1r h ARG 639 CO 0.55 1.00 0.08 0.20 -1.51 0.00 0.00 179.97 180.29 5r1r s GLY 640 N -3.70 0.91 0.26 2.80 0.00 -1.26 -4.33 107.32 102.01 5r1r s GLY 640 Ca -0.12 -1.12 0.10 0.00 0.00 0.00 0.00 44.72 43.58 5r1r s GLY 640 CO 0.83 -0.63 1.59 -0.97 0.00 0.00 0.00 173.10 173.93 5r1r h TYR 641 N 2.03 0.00 -3.12 1.90 0.05 -1.95 -3.42 116.97 112.46 5r1r h TYR 641 Ca -0.31 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.80 5r1r h TYR 641 Cb 1.25 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.64 5r1r h TYR 641 CO 1.51 0.64 -0.86 0.08 -1.05 0.00 0.00 178.16 178.48 5r1r s VAL 642 N -3.54 2.04 -0.05 -2.88 1.01 -1.26 -1.25 120.40 114.47 5r1r s VAL 642 Ca -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 5r1r s VAL 642 Cb 0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 5r1r s VAL 642 CO 0.77 0.54 0.11 -0.94 0.00 0.00 0.00 175.10 175.57 5r1r s SER 643 N 1.09 5.96 -0.08 3.32 1.04 -0.56 -4.92 113.70 119.54 5r1r s SER 643 Ca -0.00 0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.73 5r1r s SER 643 Cb -0.14 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.15 5r1r s SER 643 CO -0.08 0.32 -0.15 -0.63 0.98 0.00 0.00 173.24 173.68 5r1r s ILE 644 N -1.14 2.99 0.09 -1.02 1.01 -1.26 -2.09 121.20 119.77 5r1r s ILE 644 Ca 0.20 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.20 5r1r s ILE 644 Cb -0.12 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 5r1r s ILE 644 CO 0.11 0.57 -0.19 -0.75 0.00 0.00 0.00 174.94 174.67 5r1r s LYS 645 N -0.33 1.09 0.12 2.79 2.47 0.81 -5.00 119.74 121.70 5r1r s LYS 645 Ca 0.03 -1.09 -0.01 0.00 -1.56 0.00 0.00 55.97 53.34 5r1r s LYS 645 Cb -0.13 -1.29 -0.04 0.00 -1.46 0.00 0.00 37.83 34.91 5r1r s LYS 645 CO 0.02 0.30 0.30 0.00 0.16 0.00 0.00 175.35 176.14 5r1r s ALA 646 N -1.13 3.91 0.35 3.13 0.00 -1.26 -0.99 121.76 125.77 5r1r s ALA 646 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 5r1r s ALA 646 Cb -0.10 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.11 5r1r s ALA 646 CO 0.04 0.67 0.63 0.45 0.00 0.00 0.00 175.76 177.54 5r1r s SER 647 N -2.73 0.38 0.22 0.00 0.15 -1.11 -4.86 113.70 105.75 5r1r s SER 647 Ca 0.37 -1.25 0.20 0.00 0.70 0.00 0.00 55.95 55.97 5r1r s SER 647 Cb -0.12 0.75 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 5r1r s SER 647 CO 0.27 -1.47 1.15 0.11 1.20 0.00 0.00 173.24 174.50 5r1r h LYS 648 N 2.06 0.00 -0.25 5.44 6.56 -2.03 -3.29 116.57 125.06 5r1r h LYS 648 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 5r1r h LYS 648 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 5r1r h LYS 648 CO 0.39 0.16 0.00 -0.25 -2.06 0.00 0.00 179.45 177.69 5r1r n ASP 649 N -2.90 1.62 0.00 0.86 8.00 -1.26 -5.03 116.55 117.84 5r1r n ASP 649 Ca -0.02 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.62 5r1r n ASP 649 Cb 0.66 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 5r1r n ASP 649 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5r1r n GLY 650 N 1.04 -0.65 3.68 0.44 0.00 -1.24 -4.94 105.19 103.53 5r1r n GLY 650 Ca 0.13 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 5r1r n GLY 650 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5r1r s ILE 651 N -0.31 4.37 -0.27 -0.61 1.01 -1.26 -2.73 121.20 121.39 5r1r s ILE 651 Ca 0.00 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.17 5r1r s ILE 651 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 5r1r s ILE 651 CO 0.00 -0.06 0.35 -0.76 0.00 0.00 0.00 174.94 174.47 5r1r s LEU 652 N 2.67 4.05 0.10 2.97 1.43 -0.16 -4.85 118.68 124.88 5r1r s LEU 652 Ca 0.53 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 5r1r s LEU 652 Cb -0.22 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 5r1r s LEU 652 CO 0.18 -0.17 -0.09 -0.13 0.23 0.00 0.00 176.35 176.36 5r1r s ARG 653 N 2.03 2.16 -0.08 1.70 0.52 -1.26 -0.13 118.95 123.90 5r1r s ARG 653 Ca 0.14 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.31 5r1r s ARG 653 Cb -0.16 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 33.03 5r1r s ARG 653 CO 0.10 0.51 0.16 -1.14 0.02 0.00 0.00 175.30 174.95 5r1r s GLN 654 N -2.18 0.07 -0.08 3.54 0.74 -0.89 -4.58 119.66 116.27 5r1r s GLN 654 Ca 0.21 0.48 -0.15 0.00 0.05 0.00 0.00 55.36 55.95 5r1r s GLN 654 Cb -0.11 -0.22 -0.05 0.00 1.10 0.00 0.00 33.01 33.73 5r1r s GLN 654 CO 0.14 -0.24 0.39 0.08 -0.55 0.00 0.00 175.29 175.11 5r1r s VAL 655 N 1.74 5.16 0.32 1.34 1.01 -1.26 -1.50 120.40 127.22 5r1r s VAL 655 Ca -0.03 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.45 5r1r s VAL 655 Cb -0.12 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 5r1r s VAL 655 CO -0.06 0.47 1.11 1.33 0.00 0.00 0.00 175.10 177.95 5r1r n VAL 656 N 2.74 2.04 -1.59 2.92 0.24 -0.38 -4.83 118.33 119.48 5r1r n VAL 656 Ca -0.12 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.34 61.17 5r1r n VAL 656 Cb 0.52 -1.22 -0.05 0.00 -1.47 0.00 0.00 33.84 31.61 5r1r n VAL 656 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 5r1r n PRO 657 N 0.60 1.15 -3.98 7.34 -0.02 -1.26 -2.67 135.00 136.15 5r1r n PRO 657 Ca 0.08 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 5r1r n PRO 657 Cb 0.34 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 5r1r n PRO 657 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 5r1r n ASP 658 N 2.37 -0.49 -0.10 2.55 2.03 -1.26 -4.85 116.55 116.80 5r1r n ASP 658 Ca 0.17 -1.01 -0.09 0.00 0.52 0.00 0.00 54.79 54.38 5r1r n ASP 658 Cb 0.21 -2.99 -0.01 0.00 -0.72 0.00 0.00 41.12 37.60 5r1r n ASP 658 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 5r1r h TYR 659 N -1.82 0.41 -0.87 -0.67 3.20 -1.87 0.22 116.97 115.58 5r1r h TYR 659 Ca -0.63 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.36 5r1r h TYR 659 Cb 1.38 -0.14 -0.12 0.00 1.54 0.00 0.00 36.73 39.38 5r1r h TYR 659 CO 0.50 0.27 -0.41 -1.91 -1.64 0.00 0.00 178.16 174.96 5r1r n GLU 660 N -4.86 -0.28 0.03 1.82 2.13 -1.26 -1.42 120.64 116.80 5r1r n GLU 660 Ca -0.01 1.32 0.11 0.00 0.66 0.00 0.00 57.16 59.25 5r1r n GLU 660 Cb 0.03 -1.96 -0.07 0.00 0.27 0.00 0.00 31.44 29.72 5r1r n GLU 660 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 5r1r n HIS 661 N -5.19 0.30 -0.69 4.31 8.25 -1.04 -4.53 115.22 116.62 5r1r n HIS 661 Ca 0.06 0.09 0.07 0.00 -0.26 0.00 0.00 57.72 57.67 5r1r n HIS 661 Cb 0.30 -0.54 0.14 0.00 1.12 0.00 0.00 29.99 31.01 5r1r n HIS 661 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 5r1r n LEU 662 N -2.19 2.76 -0.19 2.41 4.77 0.04 -4.74 117.00 119.86 5r1r n LEU 662 Ca -0.01 -2.68 -0.03 0.00 -0.03 0.00 0.00 56.01 53.27 5r1r n LEU 662 Cb 0.50 -0.34 0.08 0.00 -2.33 0.00 0.00 43.42 41.33 5r1r n LEU 662 CO 0.43 0.66 1.04 1.12 -1.33 0.00 0.00 177.39 179.30 5r1r h HIS 663 N 0.77 0.53 0.00 -1.77 2.07 -1.44 0.08 115.15 115.39 5r1r h HIS 663 Ca 0.00 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.52 5r1r h HIS 663 Cb 0.97 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 30.79 5r1r h HIS 663 CO 0.16 0.24 -0.10 -0.44 -3.07 0.00 0.00 177.93 174.72 5r1r h ASP 664 N 0.55 0.00 0.33 3.10 3.32 -1.87 -3.19 116.42 118.66 5r1r h ASP 664 Ca 0.26 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.11 5r1r h ASP 664 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 5r1r h ASP 664 CO -0.19 0.10 -0.84 0.00 -1.72 0.00 0.00 179.24 176.59 5r1r h ALA 665 N 1.90 0.48 -2.70 3.45 0.00 -1.32 -3.45 119.26 117.61 5r1r h ALA 665 Ca -0.00 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 5r1r h ALA 665 Cb 0.78 -0.04 0.16 0.00 0.00 0.00 0.00 17.79 18.69 5r1r h ALA 665 CO 0.01 0.80 0.40 0.71 0.00 0.00 0.00 179.25 181.17 5r1r s TYR 666 N -3.41 2.06 -0.31 0.00 2.02 -0.67 -4.68 117.35 112.36 5r1r s TYR 666 Ca -0.05 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.26 5r1r s TYR 666 Cb 0.10 -3.48 0.09 0.00 -0.40 0.00 0.00 41.96 38.27 5r1r s TYR 666 CO 0.85 -2.61 0.03 -2.00 -1.57 0.00 0.00 175.55 170.26 5r1r s GLU 667 N -3.89 1.38 0.74 -0.62 2.12 -1.26 -5.03 118.70 112.14 5r1r s GLU 667 Ca 0.74 -1.52 -0.13 0.00 0.36 0.00 0.00 54.97 54.43 5r1r s GLU 667 Cb -0.29 -2.81 0.04 0.00 0.26 0.00 0.00 34.13 31.33 5r1r s GLU 667 CO 0.45 -0.87 1.12 -0.51 -0.54 0.00 0.00 175.26 174.90 5r1r s LEU 668 N 1.16 3.19 0.20 2.70 1.43 -1.26 -4.60 118.68 121.48 5r1r s LEU 668 Ca 0.07 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.97 5r1r s LEU 668 Cb -0.19 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 41.66 5r1r s LEU 668 CO -0.12 -2.00 1.60 0.25 0.23 0.00 0.00 176.35 176.32 5r1r h LEU 669 N -0.65 -0.91 -0.29 1.79 5.85 -0.71 0.18 115.31 120.57 5r1r h LEU 669 Ca -0.45 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.48 5r1r h LEU 669 Cb 1.25 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.77 5r1r h LEU 669 CO 0.51 -0.27 0.00 0.79 -0.34 0.00 0.00 178.44 179.13 5r1r n TRP 670 N -5.44 0.04 0.20 1.25 7.02 -1.26 -2.73 117.44 116.52 5r1r n TRP 670 Ca 0.05 -0.02 0.12 0.00 -1.02 0.00 0.00 57.50 56.63 5r1r n TRP 670 Cb 0.35 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.36 5r1r n TRP 670 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 5r1r h GLU 671 N 0.61 0.00 -6.50 -0.99 5.08 -1.31 -3.44 114.58 108.02 5r1r h GLU 671 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 5r1r h GLU 671 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 5r1r h GLU 671 CO 0.00 0.00 0.82 -1.64 -1.00 0.00 0.00 179.01 177.19 5r1r s MET 672 N -3.25 4.27 0.55 2.33 -1.94 -1.11 -4.87 119.30 115.29 5r1r s MET 672 Ca 0.05 2.14 0.36 0.00 -1.71 0.00 0.00 55.69 56.53 5r1r s MET 672 Cb 0.07 -3.36 1.70 0.00 2.01 0.00 0.00 34.83 35.25 5r1r s MET 672 CO 0.71 -0.54 2.08 -1.35 -0.01 0.00 0.00 175.02 175.90 5r1r h PRO 673 N 7.27 0.00 0.00 2.03 0.11 -1.90 -3.47 132.00 136.04 5r1r h PRO 673 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 5r1r h PRO 673 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 5r1r h PRO 673 CO 0.89 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 5r1r n GLY 674 N -0.43 1.02 0.01 -0.55 0.00 -1.26 -5.06 105.19 98.92 5r1r n GLY 674 Ca -0.01 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.34 5r1r n GLY 674 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5r1r n ASN 675 N -0.17 0.67 0.05 1.61 3.02 -1.26 -4.58 115.26 114.60 5r1r n ASN 675 Ca 0.00 -0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 53.89 5r1r n ASN 675 Cb 0.00 1.07 -0.06 0.00 -0.61 0.00 0.00 39.78 40.18 5r1r n ASN 675 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 5r1r h ASP 676 N 0.00 -1.15 -0.43 6.41 3.32 -1.96 -0.15 116.42 122.46 5r1r h ASP 676 Ca 0.00 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.24 5r1r h ASP 676 Cb 0.66 0.46 -0.07 0.00 0.22 0.00 0.00 39.33 40.59 5r1r h ASP 676 CO 0.00 -0.43 -0.43 1.23 -1.72 0.00 0.00 179.24 177.89 5r1r h GLY 677 N -0.53 -1.26 0.64 2.75 0.00 -1.76 0.04 103.07 102.96 5r1r h GLY 677 Ca 0.06 0.79 0.02 0.00 0.00 0.00 0.00 47.33 48.19 5r1r h GLY 677 CO -0.31 -0.25 -0.20 -1.82 0.00 0.00 0.00 176.54 173.96 5r1r h TYR 678 N -0.22 -0.51 -0.90 5.60 5.03 -1.43 -1.67 116.97 122.86 5r1r h TYR 678 Ca 0.07 0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.57 5r1r h TYR 678 Cb 0.41 0.22 -0.10 0.00 1.55 0.00 0.00 36.73 38.81 5r1r h TYR 678 CO -0.78 -0.28 0.47 -0.07 -1.32 0.00 0.00 178.16 176.18 5r1r h LEU 679 N -0.36 0.55 -0.24 2.82 3.38 -0.51 0.15 115.31 121.10 5r1r h LEU 679 Ca 0.03 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.17 5r1r h LEU 679 Cb 0.39 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 5r1r h LEU 679 CO -0.12 0.18 -0.16 1.56 0.09 0.00 0.00 178.44 179.99 5r1r h GLN 680 N 0.61 -0.15 -0.83 1.13 4.20 -0.23 0.66 115.11 120.50 5r1r h GLN 680 Ca 0.52 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.28 5r1r h GLN 680 Cb 0.81 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 5r1r h GLN 680 CO -0.41 -0.10 0.52 -0.07 -0.67 0.00 0.00 178.83 178.11 5r1r h LEU 681 N -0.15 0.84 -0.45 1.46 3.38 0.09 0.16 115.31 120.64 5r1r h LEU 681 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 5r1r h LEU 681 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 5r1r h LEU 681 CO -0.33 0.56 0.28 0.58 0.09 0.00 0.00 178.44 179.63 5r1r h VAL 682 N 0.99 1.13 -0.64 1.22 2.07 -0.35 -0.68 116.25 119.98 5r1r h VAL 682 Ca 0.35 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.65 5r1r h VAL 682 Cb 0.09 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 5r1r h VAL 682 CO -0.14 0.13 0.37 1.23 0.02 0.00 0.00 177.57 179.18 5r1r h GLY 683 N 0.60 0.93 0.91 2.17 0.00 0.15 0.10 103.07 107.93 5r1r h GLY 683 Ca 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 5r1r h GLY 683 CO -0.03 0.20 -0.01 -2.22 0.00 0.00 0.00 176.54 174.47 5r1r h ILE 684 N 0.71 1.04 -0.95 2.60 2.04 -0.77 -2.58 117.51 119.62 5r1r h ILE 684 Ca 0.27 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 66.04 5r1r h ILE 684 Cb 0.10 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 5r1r h ILE 684 CO -0.14 0.05 0.58 0.24 0.00 0.00 0.00 178.15 178.88 5r1r h MET 685 N -0.13 0.89 0.00 2.37 2.86 -0.54 -1.04 114.93 119.34 5r1r h MET 685 Ca -0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 5r1r h MET 685 Cb 0.11 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 5r1r h MET 685 CO 0.01 0.59 -0.04 0.37 1.06 0.00 0.00 176.91 178.89 5r1r h GLN 686 N 0.92 0.00 -0.42 1.72 5.75 -0.51 -1.69 115.11 120.88 5r1r h GLN 686 Ca 0.47 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 59.05 5r1r h GLN 686 Cb 0.47 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.94 5r1r h GLN 686 CO -0.27 0.04 -0.07 -0.22 -2.65 0.00 0.00 178.83 175.66 5r1r h LYS 687 N 0.00 0.04 0.00 1.69 3.64 -0.80 -3.06 116.57 118.07 5r1r h LYS 687 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 5r1r h LYS 687 Cb 0.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 5r1r h LYS 687 CO 0.01 0.02 -1.11 1.19 -2.27 0.00 0.00 179.45 177.29 5r1r n PHE 688 N -5.28 0.52 -2.71 1.91 3.72 -0.69 -4.45 117.46 110.48 5r1r n PHE 688 Ca 0.03 0.15 -0.42 0.00 -0.05 0.00 0.00 57.45 57.17 5r1r n PHE 688 Cb 0.23 -0.66 -0.04 0.00 -0.94 0.00 0.00 39.48 38.07 5r1r n PHE 688 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 5r1r s ILE 689 N -3.30 4.65 0.18 4.37 -1.09 -0.88 -4.81 121.20 120.33 5r1r s ILE 689 Ca 0.01 2.04 -0.12 0.00 -2.23 0.00 0.00 60.65 60.35 5r1r s ILE 689 Cb 0.12 -4.31 0.09 0.00 -1.58 0.00 0.00 42.46 36.79 5r1r s ILE 689 CO 0.80 0.23 1.80 0.44 -1.23 0.00 0.00 174.94 176.99 5r1r h ASP 690 N 6.19 0.77 0.00 3.58 3.32 -1.89 -3.44 116.42 124.95 5r1r h ASP 690 Ca -0.42 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.54 5r1r h ASP 690 Cb 1.22 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.57 5r1r h ASP 690 CO 0.74 0.63 0.00 0.00 -1.72 0.00 0.00 179.24 178.89 5r1r n GLN 691 N -4.57 0.00 -2.25 3.56 6.02 -0.70 -4.36 117.38 115.09 5r1r n GLN 691 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 5r1r n GLN 691 Cb 0.08 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.34 5r1r n GLN 691 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 5r1r n SER 692 N 0.00 1.22 -3.88 1.08 2.88 -0.35 -4.90 113.62 109.67 5r1r n SER 692 Ca 0.00 -1.22 -0.16 0.00 -1.33 0.00 0.00 58.87 56.16 5r1r n SER 692 Cb 0.00 0.09 -0.15 0.00 -0.75 0.00 0.00 64.21 63.40 5r1r n SER 692 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 5r1r s ILE 693 N -1.58 0.27 -1.13 2.46 1.01 -1.26 -1.74 121.20 119.23 5r1r s ILE 693 Ca 0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 5r1r s ILE 693 Cb 0.00 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 5r1r s ILE 693 CO 0.01 0.12 1.88 -0.44 0.00 0.00 0.00 174.94 176.52 5r1r s SER 694 N 0.46 5.39 0.01 3.58 0.01 0.17 -4.67 113.70 118.65 5r1r s SER 694 Ca -0.05 -1.55 -0.10 0.00 1.31 0.00 0.00 55.95 55.56 5r1r s SER 694 Cb -0.08 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 5r1r s SER 694 CO -0.01 -2.65 0.34 0.00 0.41 0.00 0.00 173.24 171.32 5r1r s ALA 695 N 9.54 3.77 0.22 1.44 0.00 -1.26 -4.85 121.76 130.61 5r1r s ALA 695 Ca 0.65 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.29 5r1r s ALA 695 Cb -0.01 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 5r1r s ALA 695 CO 0.08 0.56 0.07 -0.80 0.00 0.00 0.00 175.76 175.67 5r1r s ASN 696 N -1.41 4.98 -0.08 0.00 0.02 -1.26 0.67 114.94 117.86 5r1r s ASN 696 Ca 0.26 -0.40 0.05 0.00 -1.02 0.00 0.00 52.86 51.75 5r1r s ASN 696 Cb -0.14 -1.11 -0.01 0.00 0.02 0.00 0.00 41.25 40.01 5r1r s ASN 696 CO 0.14 0.03 -0.24 0.42 0.02 0.00 0.00 177.10 177.47 5r1r s THR 697 N -2.02 2.15 -0.02 1.60 -4.23 -0.62 -4.95 115.64 107.55 5r1r s THR 697 Ca 0.30 -1.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 5r1r s THR 697 Cb -0.08 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 5r1r s THR 697 CO 0.21 0.56 -0.21 0.20 -0.54 0.00 0.00 174.62 174.85 5r1r s ASN 698 N 0.06 2.44 -0.02 3.99 -0.87 -1.26 -1.43 114.94 117.85 5r1r s ASN 698 Ca -0.10 -0.38 0.02 0.00 -1.57 0.00 0.00 52.86 50.83 5r1r s ASN 698 Cb -0.16 -0.29 0.01 0.00 -0.02 0.00 0.00 41.25 40.79 5r1r s ASN 698 CO 0.06 0.25 -0.07 -0.31 -2.57 0.00 0.00 177.10 174.46 5r1r s TYR 699 N -0.46 0.74 -0.25 2.20 2.02 -0.21 -4.69 117.35 116.70 5r1r s TYR 699 Ca 0.07 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 5r1r s TYR 699 Cb -0.08 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.94 5r1r s TYR 699 CO -0.01 -0.09 -0.05 0.34 -1.57 0.00 0.00 175.55 174.18 5r1r s ASP 700 N 0.25 4.36 0.33 2.29 -1.08 -1.26 -2.22 116.67 119.34 5r1r s ASP 700 Ca -0.03 -0.76 0.05 0.00 -0.52 0.00 0.00 52.55 51.29 5r1r s ASP 700 Cb -0.08 -1.70 0.68 0.00 -1.46 0.00 0.00 42.92 40.36 5r1r s ASP 700 CO 0.00 -0.11 1.91 -0.65 0.52 0.00 0.00 175.17 176.84 5r1r h PRO 701 N 8.06 0.82 -1.02 4.34 0.11 -1.87 -1.75 132.00 140.70 5r1r h PRO 701 Ca -0.35 -0.05 0.25 0.00 0.11 0.00 0.00 66.00 65.96 5r1r h PRO 701 Cb 1.12 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 31.95 5r1r h PRO 701 CO 0.59 0.54 0.65 0.77 -0.21 0.00 0.00 178.00 180.34 5r1r h SER 702 N 0.85 0.48 0.02 -2.05 0.02 -1.93 0.81 113.55 111.75 5r1r h SER 702 Ca 0.39 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 5r1r h SER 702 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 5r1r h SER 702 CO -0.16 0.12 0.00 0.54 -1.14 0.00 0.00 176.83 176.19 5r1r n ARG 703 N -4.63 0.69 -4.94 3.45 1.74 -0.66 -4.81 116.66 107.51 5r1r n ARG 703 Ca 0.24 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.06 5r1r n ARG 703 Cb 0.82 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 5r1r n ARG 703 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 5r1r s PHE 704 N -2.03 1.90 0.11 -1.55 0.40 0.28 -5.08 117.98 112.00 5r1r s PHE 704 Ca 0.34 -0.37 -0.33 0.00 -0.60 0.00 0.00 56.93 55.97 5r1r s PHE 704 Cb 0.16 -1.20 -0.12 0.00 0.51 0.00 0.00 43.02 42.36 5r1r s PHE 704 CO 0.27 0.00 1.72 -0.35 0.70 0.00 0.00 175.22 177.57 5r1r n PRO 705 N 2.35 2.42 -1.24 0.24 -0.04 -1.26 -0.20 135.00 137.27 5r1r n PRO 705 Ca -0.16 0.88 -0.08 0.00 -0.04 0.00 0.00 63.50 64.10 5r1r n PRO 705 Cb 0.53 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.25 5r1r n PRO 705 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 5r1r n SER 706 N 4.67 -4.41 -2.17 3.54 7.64 -1.26 -2.89 113.62 118.75 5r1r n SER 706 Ca 0.18 0.21 -0.18 0.00 1.01 0.00 0.00 58.87 60.09 5r1r n SER 706 Cb 0.32 -2.64 -0.03 0.00 -1.01 0.00 0.00 64.21 60.85 5r1r n SER 706 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5r1r n GLY 707 N -1.42 0.10 3.18 0.23 0.00 0.72 -4.98 105.19 103.03 5r1r n GLY 707 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 5r1r n GLY 707 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5r1r s LYS 708 N -4.62 2.94 -0.09 1.61 -2.85 -1.14 -4.79 119.74 110.81 5r1r s LYS 708 Ca 0.00 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 53.84 5r1r s LYS 708 Cb 0.00 -2.30 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 5r1r s LYS 708 CO 0.00 0.07 1.25 0.08 0.10 0.00 0.00 175.35 176.85 5r1r s VAL 709 N 0.60 4.20 0.34 1.79 1.01 -1.26 -4.58 120.40 122.50 5r1r s VAL 709 Ca -0.13 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 5r1r s VAL 709 Cb -0.17 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 5r1r s VAL 709 CO 0.03 -0.05 1.25 -2.16 0.00 0.00 0.00 175.10 174.18 5r1r s PRO 710 N 2.70 4.30 0.48 2.72 0.04 -1.26 -4.90 135.00 139.08 5r1r s PRO 710 Ca 0.57 2.09 0.18 0.00 0.04 0.00 0.00 61.00 63.88 5r1r s PRO 710 Cb -0.24 -2.99 1.17 0.00 0.04 0.00 0.00 34.50 32.48 5r1r s PRO 710 CO 0.20 -0.19 2.04 1.98 0.04 0.00 0.00 177.00 181.07 5r1r h MET 711 N 3.23 0.00 -0.07 4.56 1.85 -1.99 -1.39 114.93 121.12 5r1r h MET 711 Ca -0.49 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 58.61 5r1r h MET 711 Cb 1.23 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.25 5r1r h MET 711 CO 0.65 0.15 0.02 0.37 -0.40 0.00 0.00 176.91 177.70 5r1r h GLN 712 N 0.00 0.06 -0.55 0.39 5.75 -1.99 -0.71 115.11 118.06 5r1r h GLN 712 Ca -0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 5r1r h GLN 712 Cb 0.29 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 5r1r h GLN 712 CO 0.02 0.04 0.31 0.37 -2.65 0.00 0.00 178.83 176.92 5r1r h GLN 713 N 0.06 0.75 -0.45 1.69 5.75 -1.65 0.14 115.11 121.40 5r1r h GLN 713 Ca 0.03 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 5r1r h GLN 713 Cb 0.02 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.37 5r1r h GLN 713 CO -0.03 0.56 0.18 -0.07 -2.65 0.00 0.00 178.83 176.81 5r1r h LEU 714 N 0.73 0.21 -0.43 -2.39 3.38 -1.25 0.51 115.31 116.07 5r1r h LEU 714 Ca 0.19 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 5r1r h LEU 714 Cb 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 5r1r h LEU 714 CO -0.03 0.15 -0.68 -0.07 0.09 0.00 0.00 178.44 177.90 5r1r h LEU 715 N 0.36 0.53 -0.39 1.67 3.38 -0.70 -2.05 115.31 118.11 5r1r h LEU 715 Ca 0.21 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.85 5r1r h LEU 715 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 5r1r h LEU 715 CO -0.19 1.06 0.26 0.50 0.09 0.00 0.00 178.44 180.16 5r1r h LYS 716 N 0.32 0.51 -0.80 1.13 1.63 -0.13 0.14 116.57 119.38 5r1r h LYS 716 Ca -0.02 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 5r1r h LYS 716 Cb 1.25 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 5r1r h LYS 716 CO 0.12 0.34 0.32 -0.44 -3.45 0.00 0.00 179.45 176.34 5r1r h ASP 717 N 0.53 1.10 0.10 4.20 3.32 -0.84 0.18 116.42 125.01 5r1r h ASP 717 Ca 0.14 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.03 5r1r h ASP 717 Cb -0.06 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 5r1r h ASP 717 CO -0.03 0.98 -0.12 0.25 -1.72 0.00 0.00 179.24 178.59 5r1r h LEU 718 N 1.16 -0.32 -0.45 1.55 5.85 -0.58 0.63 115.31 123.15 5r1r h LEU 718 Ca 0.27 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 5r1r h LEU 718 Cb 0.22 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 5r1r h LEU 718 CO -0.02 -0.18 0.24 -0.07 -0.34 0.00 0.00 178.44 178.07 5r1r h LEU 719 N -0.25 0.57 -0.53 2.25 3.38 -0.49 -0.49 115.31 119.74 5r1r h LEU 719 Ca 0.01 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.99 5r1r h LEU 719 Cb 0.25 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.75 5r1r h LEU 719 CO -0.05 0.50 -0.23 0.74 0.09 0.00 0.00 178.44 179.50 5r1r h THR 720 N 0.59 0.32 -0.22 0.22 2.02 -0.30 0.52 112.91 116.05 5r1r h THR 720 Ca 0.16 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 5r1r h THR 720 Cb 0.07 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 5r1r h THR 720 CO -0.02 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.79 5r1r h ALA 721 N 1.26 0.12 -0.44 6.16 0.00 -0.30 -1.89 119.26 124.17 5r1r h ALA 721 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 5r1r h ALA 721 Cb 0.48 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 5r1r h ALA 721 CO -0.60 -0.49 0.28 -0.92 0.00 0.00 0.00 179.25 177.52 5r1r h TYR 722 N -0.03 0.56 -0.29 0.00 3.20 0.65 -1.71 116.97 119.35 5r1r h TYR 722 Ca 0.11 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.06 5r1r h TYR 722 Cb 0.20 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 5r1r h TYR 722 CO -0.25 0.37 0.21 -0.22 -1.64 0.00 0.00 178.16 176.63 5r1r h LYS 723 N 0.59 0.03 -0.70 1.82 3.64 0.71 -0.74 116.57 121.91 5r1r h LYS 723 Ca 0.16 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.28 5r1r h LYS 723 Cb -0.04 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.62 5r1r h LYS 723 CO -0.03 0.02 0.29 1.19 -2.27 0.00 0.00 179.45 178.64 5r1r n PHE 724 N -4.46 2.28 -1.29 1.91 3.72 -0.89 -4.65 117.46 114.08 5r1r n PHE 724 Ca 0.04 -1.38 -0.10 0.00 -0.05 0.00 0.00 57.45 55.96 5r1r n PHE 724 Cb 0.35 -0.69 -0.04 0.00 -0.94 0.00 0.00 39.48 38.15 5r1r n PHE 724 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5r1r n GLY 725 N -0.55 1.11 3.69 1.37 0.00 -0.29 -4.48 105.19 106.05 5r1r n GLY 725 Ca 0.43 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 5r1r n GLY 725 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 5r1r n VAL 726 N -2.55 0.37 -0.03 1.61 0.31 -0.67 -4.92 118.33 112.45 5r1r n VAL 726 Ca -0.10 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 5r1r n VAL 726 Cb 0.41 -2.12 -0.09 0.00 -0.91 0.00 0.00 33.84 31.13 5r1r n VAL 726 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 5r1r h LYS 727 N 8.58 0.25 -5.09 5.55 1.57 -1.89 -3.43 116.57 122.11 5r1r h LYS 727 Ca -0.46 -0.19 -0.41 0.00 -1.87 0.00 0.00 60.65 57.72 5r1r h LYS 727 Cb 1.22 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 5r1r h LYS 727 CO 0.95 0.82 -0.63 0.95 -0.57 0.00 0.00 179.45 180.97 5r1r s THR 728 N -3.73 0.97 -0.05 -0.16 -4.23 -1.26 0.44 115.64 107.61 5r1r s THR 728 Ca -0.15 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.33 5r1r s THR 728 Cb 0.03 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.30 5r1r s THR 728 CO 0.75 -0.11 0.08 -0.76 -0.54 0.00 0.00 174.62 174.04 5r1r s LEU 729 N -3.38 0.15 0.00 4.79 1.43 -0.39 -4.48 118.68 116.81 5r1r s LEU 729 Ca 0.34 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 5r1r s LEU 729 Cb 0.07 -0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.25 5r1r s LEU 729 CO 0.13 -0.24 0.00 0.00 0.23 0.00 0.00 176.35 176.47 5r1r n TYR 730 N 5.24 0.00 -1.36 0.29 9.36 0.21 -2.04 117.16 128.86 5r1r n TYR 730 Ca -0.05 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.80 5r1r n TYR 730 Cb 0.50 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.25 5r1r n TYR 730 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 5r1r n TYR 731 N 0.00 -1.12 -4.02 2.98 4.01 -1.26 -4.71 117.16 113.03 5r1r n TYR 731 Ca 0.00 0.40 -0.34 0.00 -0.16 0.00 0.00 57.90 57.80 5r1r n TYR 731 Cb 0.00 -1.89 -0.15 0.00 -0.31 0.00 0.00 39.34 36.98 5r1r n TYR 731 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 5r1r s GLN 732 N -2.17 3.15 -0.12 -0.72 0.74 -1.05 -1.59 119.66 117.90 5r1r s GLN 732 Ca 0.65 -0.75 -0.07 0.00 0.05 0.00 0.00 55.36 55.25 5r1r s GLN 732 Cb -0.41 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 5r1r s GLN 732 CO 0.58 -0.21 0.13 -0.80 -0.55 0.00 0.00 175.29 174.44 5r1r s ASN 733 N 1.37 6.32 -0.04 6.67 0.01 -0.51 -4.52 114.94 124.24 5r1r s ASN 733 Ca 0.05 0.45 0.05 0.00 -0.71 0.00 0.00 52.86 52.70 5r1r s ASN 733 Cb -0.14 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 5r1r s ASN 733 CO -0.09 0.41 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.85 5r1r s THR 734 N -1.02 1.44 -4.79 1.60 2.01 -1.26 -1.05 115.64 112.56 5r1r s THR 734 Ca 0.15 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.42 5r1r s THR 734 Cb -0.12 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.16 5r1r s THR 734 CO 0.04 0.41 0.00 0.54 -0.69 0.00 0.00 174.62 174.92 5r1r n ARG 735 N 3.06 0.00 0.00 4.92 1.74 -0.94 -5.00 116.66 120.44 5r1r n ARG 735 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 5r1r n ARG 735 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 5r1r n ARG 735 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 5r1r n ASP 736 N 2.88 0.66 -2.68 0.55 5.68 -1.26 -4.17 116.55 118.21 5r1r n ASP 736 Ca 0.00 -1.24 -0.04 0.00 -0.50 0.00 0.00 54.79 53.00 5r1r n ASP 736 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 5r1r n ASP 736 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5r1r n GLY 737 N -0.12 -1.44 0.00 6.12 0.00 -1.26 -4.91 105.19 103.57 5r1r n GLY 737 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.00 5r1r n GLY 737 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32