#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 -0.61 -4.57 7.83 3.02 -1.26 -5.09 115.26 114.58 5r1r n ASN 2 Ca 0.00 -1.40 -0.28 0.00 -0.03 0.00 0.00 54.58 52.86 5r1r n ASN 2 Cb 0.00 0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.64 -0.02 3.52 1.11 -1.26 -4.90 119.66 120.81 5r1r s GLN 3 Ca 0.03 -0.63 -0.00 0.00 0.01 0.00 0.00 55.36 54.77 5r1r s GLN 3 Cb 0.16 -5.14 -0.00 0.00 -1.01 0.00 0.00 33.01 27.01 5r1r s GLN 3 CO -0.05 -3.44 -0.01 -0.91 0.01 0.00 0.00 175.29 170.90 5r1r h ASN 4 N 10.67 0.00 -0.37 5.90 2.35 -2.02 -3.51 115.58 128.59 5r1r h ASN 4 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 5r1r h ASN 4 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 5r1r h ASN 4 CO 1.23 0.08 0.00 0.18 -1.65 0.00 0.00 177.43 177.27 5r1r n LEU 5 N -2.44 -0.24 -4.61 1.61 4.77 -1.26 -4.48 117.00 110.35 5r1r n LEU 5 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 5r1r n LEU 5 Cb 0.01 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 5r1r n LEU 5 CO 0.00 0.00 0.68 -0.76 -1.33 0.00 0.00 177.39 175.99 5r1r s LEU 6 N 0.00 4.05 0.23 2.23 1.43 -1.14 -1.91 118.68 123.57 5r1r s LEU 6 Ca 0.00 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.53 5r1r s LEU 6 Cb 0.00 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 42.95 5r1r s LEU 6 CO 0.00 -0.73 0.78 -0.69 0.23 0.00 0.00 176.35 175.95 5r1r s VAL 7 N 3.20 4.44 -0.11 -1.59 1.01 0.10 -3.47 120.40 123.98 5r1r s VAL 7 Ca 0.36 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 5r1r s VAL 7 Cb -0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 5r1r s VAL 7 CO 0.15 0.28 -0.07 0.28 0.00 0.00 0.00 175.10 175.74 5r1r s THR 8 N -1.44 3.62 0.40 3.92 -1.32 -0.46 -2.12 115.64 118.24 5r1r s THR 8 Ca 0.42 -0.48 0.08 0.00 -1.21 0.00 0.00 61.69 60.50 5r1r s THR 8 Cb -0.19 -2.53 -0.00 0.00 -1.51 0.00 0.00 72.50 68.27 5r1r s THR 8 CO 0.23 0.54 0.49 -0.54 -2.21 0.00 0.00 174.62 173.13 5r1r s LYS 9 N -0.11 2.79 -0.65 7.08 1.02 -0.87 -1.89 119.74 127.12 5r1r s LYS 9 Ca 0.01 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 5r1r s LYS 9 Cb -0.13 -2.65 -0.14 0.00 -0.52 0.00 0.00 37.83 34.39 5r1r s LYS 9 CO 0.03 -0.17 2.46 0.54 -0.92 0.00 0.00 175.35 177.29 5r1r n ARG 10 N -1.71 0.63 -1.42 1.68 3.00 -1.26 -3.03 116.66 114.56 5r1r n ARG 10 Ca 0.05 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 5r1r n ARG 10 Cb 0.60 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.62 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 12.29 0.00 0.00 0.55 9.92 -1.26 -4.52 116.55 133.53 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 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 -0.21 1.00 5.11 0.44 0.00 -1.17 -5.14 105.19 105.22 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 -1.98 1.61 7.64 -1.17 -4.72 113.62 115.00 5r1r n SER 13 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 5r1r n SER 13 Cb 0.12 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 -2.05 114.28 109.17 5r1r n THR 14 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 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 0.72 0.00 -1.37 -0.78 2.13 -0.90 -4.82 120.64 115.61 5r1r n GLU 15 Ca 0.04 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.56 5r1r n GLU 15 Cb 0.22 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.06 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 1.28 0.63 5.31 0.52 -1.26 0.03 118.95 123.75 5r1r s ARG 16 Ca 0.00 0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 55.62 5r1r s ARG 16 Cb 0.00 -1.83 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 5r1r s ARG 16 CO 0.00 -2.16 1.14 -1.50 0.02 0.00 0.00 175.30 172.80 5r1r s ILE 17 N -3.08 2.98 -0.45 1.52 -1.16 -0.80 -4.43 121.20 115.78 5r1r s ILE 17 Ca 0.63 0.52 0.04 0.00 -0.51 0.00 0.00 60.65 61.33 5r1r s ILE 17 Cb -0.16 -3.10 0.17 0.00 0.61 0.00 0.00 42.46 39.98 5r1r s ILE 17 CO 0.55 -0.22 0.36 0.21 -2.81 0.00 0.00 174.94 173.04 5r1r s ASN 18 N -2.14 1.91 0.13 4.50 3.84 -1.26 -4.94 114.94 116.98 5r1r s ASN 18 Ca 0.71 -3.18 0.25 0.00 0.21 0.00 0.00 52.86 50.85 5r1r s ASN 18 Cb -0.24 -0.61 0.95 0.00 -0.55 0.00 0.00 41.25 40.80 5r1r s ASN 18 CO 0.37 -0.16 1.77 0.18 -2.79 0.00 0.00 177.10 176.47 5r1r n LEU 19 N 2.72 0.43 0.05 3.21 4.77 -1.26 -2.62 117.00 124.30 5r1r n LEU 19 Ca 0.28 0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 56.82 5r1r n LEU 19 Cb 0.46 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 5r1r n LEU 19 CO 0.11 -0.20 -0.18 0.44 -1.33 0.00 0.00 177.39 176.22 5r1r h ASP 20 N 0.00 0.00 0.17 -1.43 3.32 -1.99 -2.84 116.42 113.65 5r1r h ASP 20 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 5r1r h ASP 20 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 5r1r h ASP 20 CO 0.00 0.58 -0.08 0.50 -1.72 0.00 0.00 179.24 178.53 5r1r h LYS 21 N 0.00 -0.21 -0.51 3.56 3.64 -1.92 -2.30 116.57 118.83 5r1r h LYS 21 Ca -0.14 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 5r1r h LYS 21 Cb 1.57 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.38 5r1r h LYS 21 CO 0.05 0.14 0.16 0.82 -2.27 0.00 0.00 179.45 178.35 5r1r h ILE 22 N -0.61 0.79 -0.09 2.00 2.04 -1.63 -1.04 117.51 118.97 5r1r h ILE 22 Ca -0.02 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.74 5r1r h ILE 22 Cb 0.46 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 5r1r h ILE 22 CO 0.04 0.06 0.01 -0.74 0.00 0.00 0.00 178.15 177.51 5r1r h HIS 23 N 0.32 0.01 -0.13 1.37 2.76 -1.50 -0.23 115.15 117.75 5r1r h HIS 23 Ca 0.25 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 5r1r h HIS 23 Cb 0.29 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 5r1r h HIS 23 CO -0.18 -0.00 -0.38 0.00 -1.30 0.00 0.00 177.93 176.07 5r1r h ARG 24 N 0.04 -0.44 -0.29 5.26 3.08 -0.80 0.27 114.38 121.51 5r1r h ARG 24 Ca 0.04 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.19 5r1r h ARG 24 Cb 0.04 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 5r1r h ARG 24 CO -0.06 -0.29 -0.23 0.28 -1.07 0.00 0.00 179.97 178.59 5r1r h VAL 25 N -0.45 0.40 0.05 2.04 2.07 -1.02 -0.08 116.25 119.25 5r1r h VAL 25 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 5r1r h VAL 25 Cb 0.60 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 5r1r h VAL 25 CO -0.38 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.02 5r1r h LEU 26 N -0.22 -0.34 -0.69 2.57 3.38 0.03 -2.09 115.31 117.96 5r1r h LEU 26 Ca 0.15 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.31 5r1r h LEU 26 Cb 0.45 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 5r1r h LEU 26 CO -0.41 -0.18 -0.06 -0.78 0.09 0.00 0.00 178.44 177.10 5r1r h ASP 27 N -0.23 -0.44 0.47 -0.43 3.58 -0.15 -1.20 116.42 118.03 5r1r h ASP 27 Ca 0.03 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 5r1r h ASP 27 Cb 0.26 0.36 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 5r1r h ASP 27 CO -0.09 -0.18 -0.50 -0.25 -2.88 0.00 0.00 179.24 175.34 5r1r h TRP 28 N 0.07 -1.38 -0.93 0.28 7.01 -0.75 -2.67 115.95 117.57 5r1r h TRP 28 Ca 0.36 0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.62 5r1r h TRP 28 Cb 0.60 0.54 -0.05 0.00 -2.10 0.00 0.00 29.16 28.14 5r1r h TRP 28 CO -0.46 -0.65 0.64 0.00 -2.79 0.00 0.00 178.44 175.18 5r1r h ALA 29 N -0.91 2.56 0.00 2.65 0.00 -0.65 0.11 119.26 123.03 5r1r h ALA 29 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 5r1r h ALA 29 Cb 0.85 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 5r1r h ALA 29 CO -0.08 -0.85 -0.05 0.00 0.00 0.00 0.00 179.25 178.27 5r1r h ALA 30 N 1.58 0.98 -1.10 0.00 0.00 -0.98 -3.42 119.26 116.32 5r1r h ALA 30 Ca 0.47 -0.05 -0.83 0.00 0.00 0.00 0.00 54.91 54.50 5r1r h ALA 30 Cb 1.52 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.33 5r1r h ALA 30 CO -0.10 0.07 0.55 0.39 0.00 0.00 0.00 179.25 180.15 5r1r n GLU 31 N -3.13 0.20 0.00 0.00 -0.58 0.39 -0.91 120.64 116.61 5r1r n GLU 31 Ca 0.02 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 5r1r n GLU 31 Cb 0.45 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 3.32 2.62 3.89 0.62 0.00 -1.26 -5.04 105.19 109.34 5r1r n GLY 32 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 3.75 -0.01 0.99 1.43 -0.08 -5.09 118.68 119.67 5r1r s LEU 33 Ca 0.00 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 5r1r s LEU 33 Cb 0.00 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 5r1r s LEU 33 CO 0.00 -0.47 -0.25 -1.00 0.23 0.00 0.00 176.35 174.86 5r1r s HIS 34 N -2.52 2.25 -0.98 0.29 3.76 -1.26 -4.77 115.29 112.06 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 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.16 5r1r s HIS 34 CO 0.37 -0.01 0.00 0.09 -0.85 0.00 0.00 174.74 174.34 5r1r n ASN 35 N 2.35 -3.72 -4.30 1.40 4.13 -1.26 -4.48 115.26 109.37 5r1r n ASN 35 Ca -0.16 0.03 -0.32 0.00 1.68 0.00 0.00 54.58 55.80 5r1r n ASN 35 Cb 0.51 -2.86 -0.16 0.00 -1.54 0.00 0.00 39.78 35.74 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 -2.54 2.48 -0.46 2.41 -7.23 -1.26 -4.88 120.40 108.93 5r1r s VAL 36 Ca 0.00 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 5r1r s VAL 36 Cb 0.00 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 35.02 5r1r s VAL 36 CO 0.00 0.55 0.43 -0.55 -0.31 0.00 0.00 175.10 175.22 5r1r s SER 37 N 0.14 6.16 0.18 4.85 0.15 -1.26 -4.93 113.70 119.00 5r1r s SER 37 Ca -0.10 -1.03 -0.13 0.00 0.70 0.00 0.00 55.95 55.38 5r1r s SER 37 Cb -0.16 -2.21 0.15 0.00 -1.71 0.00 0.00 66.02 62.09 5r1r s SER 37 CO 0.06 -0.64 1.78 0.40 1.20 0.00 0.00 173.24 176.04 5r1r h ILE 38 N 5.75 0.93 -0.35 6.45 2.04 -1.98 -2.12 117.51 128.23 5r1r h ILE 38 Ca -0.28 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.47 5r1r h ILE 38 Cb 1.11 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 5r1r h ILE 38 CO 0.85 0.09 0.06 0.77 0.00 0.00 0.00 178.15 179.91 5r1r h SER 39 N 0.48 -0.02 -0.29 1.72 4.64 -1.99 0.06 113.55 118.16 5r1r h SER 39 Ca 0.23 0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.67 5r1r h SER 39 Cb 0.16 0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.26 5r1r h SER 39 CO -0.17 0.03 -0.41 1.56 -0.87 0.00 0.00 176.83 176.96 5r1r h GLN 40 N 0.17 -0.37 -0.23 4.77 1.08 -1.85 0.37 115.11 119.04 5r1r h GLN 40 Ca 0.17 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 5r1r h GLN 40 Cb 0.20 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 5r1r h GLN 40 CO -0.23 -0.25 -0.03 0.28 -0.95 0.00 0.00 178.83 177.65 5r1r h VAL 41 N -0.39 0.80 0.05 -0.54 2.07 -0.78 -1.89 116.25 115.58 5r1r h VAL 41 Ca 0.11 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.63 5r1r h VAL 41 Cb 0.59 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 5r1r h VAL 41 CO -0.49 0.01 -0.10 -0.33 0.02 0.00 0.00 177.57 176.68 5r1r h GLU 42 N 0.03 -0.19 -0.27 1.57 5.08 0.02 -2.26 114.58 118.57 5r1r h GLU 42 Ca 0.11 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 5r1r h GLU 42 Cb 0.16 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 5r1r h GLU 42 CO -0.21 -0.12 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.20 5r1r h LEU 43 N -0.19 -1.31 -2.52 1.33 3.38 0.05 0.64 115.31 116.69 5r1r h LEU 43 Ca 0.02 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 5r1r h LEU 43 Cb 0.21 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 5r1r h LEU 43 CO -0.06 -0.39 -0.01 0.03 0.09 0.00 0.00 178.44 178.10 5r1r h ARG 44 N -0.39 0.00 0.00 1.13 3.08 -1.25 -2.89 114.38 114.06 5r1r h ARG 44 Ca 0.11 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.84 5r1r h ARG 44 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 5r1r h ARG 44 CO -0.48 0.01 -2.23 -1.13 -1.07 0.00 0.00 179.97 175.07 5r1r n SER 45 N -3.65 1.71 -0.32 7.04 3.41 -0.66 -4.50 113.62 116.66 5r1r n SER 45 Ca -0.03 -0.07 -0.03 0.00 -0.26 0.00 0.00 58.87 58.48 5r1r n SER 45 Cb 0.10 0.13 0.12 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.19 0.00 7.33 3.86 0.35 -1.75 115.15 126.13 5r1r h HIS 46 Ca -0.48 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 5r1r h HIS 46 Cb 1.88 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.96 5r1r h HIS 46 CO 0.02 0.81 0.17 0.97 0.86 0.00 0.00 177.93 180.75 5r1r h ILE 47 N 1.23 0.00 -0.35 2.45 6.09 -1.72 0.58 117.51 125.78 5r1r h ILE 47 Ca 0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.80 5r1r h ILE 47 Cb -0.01 0.62 0.00 0.00 0.47 0.00 0.00 36.82 37.90 5r1r h ILE 47 CO -0.05 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.03 5r1r n GLN 48 N -2.60 2.95 -2.97 2.19 10.64 -0.66 -4.96 117.38 121.97 5r1r n GLN 48 Ca -0.02 -2.36 -0.40 0.00 -1.83 0.00 0.00 57.00 52.40 5r1r n GLN 48 Cb 0.22 -1.49 -0.05 0.00 -0.86 0.00 0.00 30.24 28.05 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 0.06 2.61 0.08 0.19 -5.07 117.98 118.06 5r1r s PHE 49 Ca 0.31 1.55 0.05 0.00 0.12 0.00 0.00 56.93 58.96 5r1r s PHE 49 Cb 0.20 -2.81 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 5r1r s PHE 49 CO 0.15 0.36 -0.13 1.52 -0.10 0.00 0.00 175.22 177.01 5r1r s TYR 50 N -0.47 1.16 0.00 0.36 1.13 -1.26 -5.08 117.35 113.19 5r1r s TYR 50 Ca 0.38 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 5r1r s TYR 50 Cb -0.22 -0.67 0.00 0.00 -1.10 0.00 0.00 41.96 39.97 5r1r s TYR 50 CO 0.25 0.04 0.02 -3.47 -2.51 0.00 0.00 175.55 169.88 5r1r n ASP 51 N 1.56 0.00 -2.91 -0.18 -0.08 -1.26 -2.29 116.55 111.39 5r1r n ASP 51 Ca -0.20 0.02 -0.31 0.00 -1.51 0.00 0.00 54.79 52.79 5r1r n ASP 51 Cb 0.54 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.95 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 -0.13 4.40 3.79 0.27 0.00 -1.23 -2.88 105.19 109.41 5r1r n GLY 52 Ca 0.00 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.42 4.44 0.59 -0.61 2.07 -0.97 -4.56 121.20 121.75 5r1r s ILE 53 Ca 0.61 1.54 -0.13 0.00 -1.41 0.00 0.00 60.65 61.26 5r1r s ILE 53 Cb 0.26 -4.01 -0.04 0.00 0.13 0.00 0.00 42.46 38.80 5r1r s ILE 53 CO -0.11 0.36 1.02 -1.59 -1.91 0.00 0.00 174.94 172.71 5r1r s LYS 54 N -1.57 3.57 0.27 3.50 -2.85 -1.26 -1.36 119.74 120.03 5r1r s LYS 54 Ca 0.40 0.92 -0.03 0.00 -1.00 0.00 0.00 55.97 56.26 5r1r s LYS 54 Cb -0.20 -2.08 0.39 0.00 -2.06 0.00 0.00 37.83 33.89 5r1r s LYS 54 CO 0.24 -0.59 1.91 1.79 0.10 0.00 0.00 175.35 178.80 5r1r h THR 55 N 0.14 1.15 -0.78 3.79 1.35 -1.75 -1.88 112.91 114.92 5r1r h THR 55 Ca -0.45 -0.41 0.13 0.00 -0.55 0.00 0.00 66.41 65.12 5r1r h THR 55 Cb 1.20 -0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.41 5r1r h THR 55 CO 0.60 0.22 0.51 0.77 -0.25 0.00 0.00 175.52 177.38 5r1r h SER 56 N 1.20 0.52 0.59 5.36 4.64 -1.92 0.11 113.55 124.05 5r1r h SER 56 Ca 0.39 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.54 5r1r h SER 56 Cb 0.04 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 5r1r h SER 56 CO -0.13 0.29 -0.84 0.44 -0.87 0.00 0.00 176.83 175.72 5r1r h ASP 57 N 0.57 0.22 -0.41 4.97 3.32 -1.72 -2.20 116.42 121.17 5r1r h ASP 57 Ca 0.38 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.28 5r1r h ASP 57 Cb 0.68 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 5r1r h ASP 57 CO -0.14 0.96 0.20 0.40 -1.72 0.00 0.00 179.24 178.94 5r1r h ILE 58 N 0.10 0.97 -0.23 0.35 1.08 -0.79 0.47 117.51 119.46 5r1r h ILE 58 Ca -0.04 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 5r1r h ILE 58 Cb 1.45 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 5r1r h ILE 58 CO 0.13 0.07 0.09 0.45 -0.69 0.00 0.00 178.15 178.20 5r1r h HIS 59 N 0.41 0.35 -0.51 1.37 3.86 -1.27 0.40 115.15 119.76 5r1r h HIS 59 Ca 0.18 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 5r1r h HIS 59 Cb 0.08 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 5r1r h HIS 59 CO -0.10 0.38 0.29 0.93 0.86 0.00 0.00 177.93 180.29 5r1r h GLU 60 N 0.22 0.55 -0.05 2.45 4.39 -1.01 0.28 114.58 121.42 5r1r h GLU 60 Ca 0.08 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 5r1r h GLU 60 Cb 0.17 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 5r1r h GLU 60 CO -0.01 0.37 0.02 1.15 -1.16 0.00 0.00 179.01 179.38 5r1r h THR 61 N 0.57 1.13 -0.75 1.13 2.02 -0.83 0.49 112.91 116.66 5r1r h THR 61 Ca 0.22 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 5r1r h THR 61 Cb 0.07 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 5r1r h THR 61 CO -0.12 0.11 0.30 0.16 0.37 0.00 0.00 175.52 176.34 5r1r h ILE 62 N -0.07 1.25 0.56 3.11 3.07 -0.58 0.00 117.51 124.86 5r1r h ILE 62 Ca 0.02 -0.79 -0.02 0.00 1.55 0.00 0.00 64.86 65.61 5r1r h ILE 62 Cb 0.15 0.35 -0.01 0.00 -0.27 0.00 0.00 36.82 37.04 5r1r h ILE 62 CO -0.00 0.32 -0.42 0.40 -1.05 0.00 0.00 178.15 177.40 5r1r h ILE 63 N 1.09 0.00 -0.22 0.16 2.04 -0.21 -1.78 117.51 118.60 5r1r h ILE 63 Ca 0.25 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.17 5r1r h ILE 63 Cb 0.20 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 5r1r h ILE 63 CO -0.02 0.00 -0.19 0.11 0.00 0.00 0.00 178.15 178.05 5r1r h LYS 64 N -0.94 -0.19 -0.94 2.37 1.57 -0.68 -0.07 116.57 117.68 5r1r h LYS 64 Ca -0.07 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.86 5r1r h LYS 64 Cb 0.78 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.98 5r1r h LYS 64 CO 0.03 -0.12 -0.40 0.00 -0.57 0.00 0.00 179.45 178.39 5r1r h ALA 65 N 0.90 0.09 -0.15 3.86 0.00 -0.87 0.70 119.26 123.80 5r1r h ALA 65 Ca 0.13 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.30 5r1r h ALA 65 Cb 0.39 1.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 5r1r h ALA 65 CO -0.33 -0.65 0.05 0.00 0.00 0.00 0.00 179.25 178.31 5r1r h ALA 66 N 1.27 0.16 -0.90 0.00 0.00 -0.38 -3.06 119.26 116.35 5r1r h ALA 66 Ca 0.32 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.26 5r1r h ALA 66 Cb 0.58 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 5r1r h ALA 66 CO -0.95 -0.40 0.59 0.00 0.00 0.00 0.00 179.25 178.50 5r1r h ALA 67 N 1.09 1.14 0.00 0.00 0.00 0.17 -1.41 119.26 120.25 5r1r h ALA 67 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 5r1r h ALA 67 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.48 5r1r h ALA 67 CO -0.07 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 5r1r n ASP 68 N -4.47 0.52 -0.24 0.00 8.00 0.20 -1.98 116.55 118.57 5r1r n ASP 68 Ca 0.10 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.40 5r1r n ASP 68 Cb 0.03 -0.77 0.25 0.00 -0.02 0.00 0.00 41.12 40.61 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 -2.12 1.13 -4.63 0.64 4.77 -0.53 -4.92 117.00 111.34 5r1r n LEU 69 Ca 0.01 -0.33 -0.48 0.00 -0.03 0.00 0.00 56.01 55.17 5r1r n LEU 69 Cb 0.13 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 5r1r n LEU 69 CO 0.14 0.22 1.01 -0.38 -1.33 0.00 0.00 177.39 177.05 5r1r n ILE 70 N -0.72 0.22 -3.86 -0.08 5.41 -0.84 -4.80 119.36 114.70 5r1r n ILE 70 Ca 0.10 -0.06 -0.07 0.00 1.00 0.00 0.00 62.75 63.72 5r1r n ILE 70 Cb 0.37 -1.20 -0.01 0.00 -0.71 0.00 0.00 39.64 38.09 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 0.58 -0.19 0.26 4.38 1.04 -1.13 -4.99 113.70 113.64 5r1r s SER 71 Ca 0.79 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 5r1r s SER 71 Cb -0.79 0.75 0.33 0.00 0.10 0.00 0.00 66.02 66.40 5r1r s SER 71 CO 0.44 -1.41 1.72 0.08 0.98 0.00 0.00 173.24 175.05 5r1r h ARG 72 N 2.01 0.68 0.00 4.02 0.11 -1.95 -2.81 114.38 116.44 5r1r h ARG 72 Ca -0.22 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.63 5r1r h ARG 72 Cb 1.25 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.27 5r1r h ARG 72 CO 0.27 0.79 -0.05 -0.44 0.10 0.00 0.00 179.97 180.64 5r1r h ASP 73 N 0.61 0.00 -2.44 0.08 5.19 -1.96 -3.38 116.42 114.53 5r1r h ASP 73 Ca 0.10 -0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.92 5r1r h ASP 73 Cb 0.59 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.72 5r1r h ASP 73 CO 0.04 0.00 -0.92 0.00 -3.12 0.00 0.00 179.24 175.24 5r1r n ALA 74 N -2.08 2.93 0.20 3.45 0.00 -1.09 -4.96 120.51 118.97 5r1r n ALA 74 Ca 0.04 -3.38 0.10 0.00 0.00 0.00 0.00 53.44 50.19 5r1r n ALA 74 Cb 0.52 -0.80 0.17 0.00 0.00 0.00 0.00 19.45 19.34 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 5.42 0.00 0.00 0.00 0.14 -1.68 -2.99 132.00 132.89 5r1r h PRO 75 Ca 0.23 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.37 5r1r h PRO 75 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.02 5r1r h PRO 75 CO 0.44 0.13 0.00 -0.25 0.14 0.00 0.00 178.00 178.47 5r1r n ASP 76 N -3.14 0.27 -0.10 1.44 9.92 -1.26 -1.01 116.55 122.66 5r1r n ASP 76 Ca 0.03 0.58 0.05 0.00 -0.53 0.00 0.00 54.79 54.92 5r1r n ASP 76 Cb 0.57 -0.63 0.37 0.00 -0.64 0.00 0.00 41.12 40.79 5r1r n ASP 76 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 5r1r h TYR 77 N 0.00 0.67 -0.92 1.24 0.05 -1.88 -0.62 116.97 115.50 5r1r h TYR 77 Ca 0.00 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.90 5r1r h TYR 77 Cb 0.20 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 37.64 5r1r h TYR 77 CO 0.00 0.40 0.56 -0.56 -1.05 0.00 0.00 178.16 177.50 5r1r h GLN 78 N 0.70 0.89 -0.20 4.88 3.07 -1.34 0.82 115.11 123.92 5r1r h GLN 78 Ca 0.23 -0.05 -0.17 0.00 0.09 0.00 0.00 58.65 58.75 5r1r h GLN 78 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.42 5r1r h GLN 78 CO -0.06 0.59 -0.53 1.88 0.09 0.00 0.00 178.83 180.79 5r1r h TYR 79 N 0.91 0.92 -0.57 0.06 0.05 -1.34 -0.89 116.97 116.11 5r1r h TYR 79 Ca 0.45 -0.36 0.05 0.00 0.05 0.00 0.00 58.73 58.92 5r1r h TYR 79 Cb 0.41 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.94 5r1r h TYR 79 CO -0.03 1.16 0.30 1.25 -1.05 0.00 0.00 178.16 179.78 5r1r h LEU 80 N 0.43 0.43 -0.21 3.88 5.85 -0.46 0.29 115.31 125.52 5r1r h LEU 80 Ca -0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 5r1r h LEU 80 Cb 1.15 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 5r1r h LEU 80 CO 0.12 0.29 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 5r1r h ALA 81 N 1.30 0.28 0.05 1.25 0.00 -0.94 -2.11 119.26 119.10 5r1r h ALA 81 Ca 0.25 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.98 5r1r h ALA 81 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 5r1r h ALA 81 CO -0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 179.25 178.80 5r1r h ALA 82 N 0.80 -0.41 -0.71 0.00 0.00 -0.45 0.28 119.26 118.76 5r1r h ALA 82 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 5r1r h ALA 82 Cb 0.39 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 5r1r h ALA 82 CO 0.01 -0.79 0.45 0.00 0.00 0.00 0.00 179.25 178.91 5r1r h ARG 83 N -0.45 0.85 -0.09 0.00 3.08 -0.43 0.62 114.38 117.95 5r1r h ARG 83 Ca 0.05 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.06 5r1r h ARG 83 Cb 0.51 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 5r1r h ARG 83 CO -0.21 0.56 0.01 -0.07 -1.07 0.00 0.00 179.97 179.20 5r1r h LEU 84 N 0.88 -0.00 -0.75 3.04 3.38 -0.99 0.50 115.31 121.36 5r1r h LEU 84 Ca 0.28 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.32 5r1r h LEU 84 Cb 0.01 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 5r1r h LEU 84 CO -0.10 0.01 0.45 0.00 0.09 0.00 0.00 178.44 178.89 5r1r h ALA 85 N 1.07 1.02 -0.15 1.53 0.00 -0.20 -0.62 119.26 121.90 5r1r h ALA 85 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 5r1r h ALA 85 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 5r1r h ALA 85 CO -0.06 0.16 0.08 0.82 0.00 0.00 0.00 179.25 180.26 5r1r h ILE 86 N 0.83 1.02 0.15 0.00 1.08 0.91 -0.29 117.51 121.19 5r1r h ILE 86 Ca 0.33 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.75 5r1r h ILE 86 Cb 0.16 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 5r1r h ILE 86 CO -0.17 0.03 -0.26 0.15 -0.69 0.00 0.00 178.15 177.22 5r1r h PHE 87 N 0.18 -0.68 -0.43 1.37 3.04 -0.30 -0.58 116.94 119.53 5r1r h PHE 87 Ca 0.06 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.11 5r1r h PHE 87 Cb -0.01 0.28 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 5r1r h PHE 87 CO -0.08 -0.36 -0.08 1.25 -2.02 0.00 0.00 178.31 177.02 5r1r h HIS 88 N -0.48 -0.18 0.00 0.41 2.76 -0.89 -0.19 115.15 116.58 5r1r h HIS 88 Ca 0.02 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 5r1r h HIS 88 Cb 0.49 0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 5r1r h HIS 88 CO -0.22 -0.16 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.08 5r1r h LEU 89 N 0.03 0.00 0.46 0.26 3.38 -0.68 0.29 115.31 119.05 5r1r h LEU 89 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 5r1r h LEU 89 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 5r1r h LEU 89 CO -0.43 0.10 -0.22 0.03 0.09 0.00 0.00 178.44 178.01 5r1r h ARG 90 N 0.00 -0.60 -0.61 1.13 2.47 0.58 -2.40 114.38 114.96 5r1r h ARG 90 Ca -0.00 0.04 0.12 0.00 -1.26 0.00 0.00 59.98 58.88 5r1r h ARG 90 Cb 0.18 0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 28.54 5r1r h ARG 90 CO 0.01 -0.29 0.13 0.87 0.56 0.00 0.00 179.97 181.25 5r1r h LYS 91 N -0.98 0.25 -0.93 0.04 1.57 -1.10 0.15 116.57 115.56 5r1r h LYS 91 Ca -0.06 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 5r1r h LYS 91 Cb 0.58 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.76 5r1r h LYS 91 CO 0.10 0.17 0.59 -0.22 -0.57 0.00 0.00 179.45 179.52 5r1r h LYS 92 N 0.26 0.77 0.00 3.15 3.64 -0.94 0.15 116.57 123.60 5r1r h LYS 92 Ca 0.32 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.36 5r1r h LYS 92 Cb 0.48 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 5r1r h LYS 92 CO -0.41 0.51 -2.07 0.00 -2.27 0.00 0.00 179.45 175.21 5r1r n ALA 93 N -2.40 1.66 0.03 5.00 0.00 -0.36 -4.68 120.51 119.77 5r1r n ALA 93 Ca 0.18 -1.04 0.01 0.00 0.00 0.00 0.00 53.44 52.59 5r1r n ALA 93 Cb 0.43 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.80 0.00 0.00 0.00 4.01 0.39 -4.89 117.16 113.87 5r1r n TYR 94 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 5r1r n TYR 94 Cb 1.05 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 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 1.87 2.49 2.33 2.72 0.00 0.50 -4.95 105.19 110.15 5r1r n GLY 95 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.42 -0.05 1.61 10.64 -1.26 -4.90 117.38 121.84 5r1r n GLN 96 Ca 0.00 -2.41 -0.11 0.00 -1.83 0.00 0.00 57.00 52.64 5r1r n GLN 96 Cb 0.00 1.75 -0.15 0.00 -0.86 0.00 0.00 30.24 30.99 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 -0.52 0.63 -2.53 2.61 7.35 -1.26 -2.43 117.46 121.31 5r1r n PHE 97 Ca 0.02 0.21 -0.43 0.00 -0.76 0.00 0.00 57.45 56.49 5r1r n PHE 97 Cb 0.43 -1.11 -0.02 0.00 0.35 0.00 0.00 39.48 39.13 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 -2.55 4.05 0.34 -4.13 0.41 -1.26 -4.88 118.70 110.67 5r1r s GLU 98 Ca -0.10 1.24 -0.29 0.00 -0.41 0.00 0.00 54.97 55.41 5r1r s GLU 98 Cb 0.07 -3.79 -0.11 0.00 -1.78 0.00 0.00 34.13 28.52 5r1r s GLU 98 CO 0.81 -0.94 1.53 -2.14 -0.49 0.00 0.00 175.26 174.02 5r1r s PRO 99 N 3.80 4.12 1.05 0.39 0.02 -1.26 -4.98 135.00 138.14 5r1r s PRO 99 Ca 0.51 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.93 5r1r s PRO 99 Cb -0.15 -2.99 0.08 0.00 0.02 0.00 0.00 34.50 31.45 5r1r s PRO 99 CO 0.18 -0.57 0.16 -0.35 -0.33 0.00 0.00 177.00 176.09 5r1r n PRO 100 N 1.16 -1.09 -2.34 5.54 -0.04 -1.26 -4.93 135.00 132.04 5r1r n PRO 100 Ca 0.04 -0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 62.86 5r1r n PRO 100 Cb 0.39 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.30 2.80 0.19 0.55 0.00 -1.26 -4.84 121.76 116.91 5r1r s ALA 101 Ca 0.56 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 5r1r s ALA 101 Cb -0.16 -3.34 0.21 0.00 0.00 0.00 0.00 23.12 19.84 5r1r s ALA 101 CO 0.67 -0.62 1.74 1.25 0.00 0.00 0.00 175.76 178.80 5r1r h LEU 102 N 1.50 0.15 -0.03 0.00 5.85 -1.92 -0.63 115.31 120.24 5r1r h LEU 102 Ca -0.50 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 5r1r h LEU 102 Cb 1.25 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 5r1r h LEU 102 CO 0.58 0.11 -0.00 0.22 -0.34 0.00 0.00 178.44 179.01 5r1r h TYR 103 N 0.34 -0.01 -0.61 1.25 3.20 -1.92 0.25 116.97 119.47 5r1r h TYR 103 Ca 0.26 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.20 5r1r h TYR 103 Cb 0.31 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 5r1r h TYR 103 CO -0.18 -0.01 0.30 -0.44 -1.64 0.00 0.00 178.16 176.19 5r1r h ASP 104 N 0.00 0.40 0.06 -2.11 3.32 -1.76 0.19 116.42 116.52 5r1r h ASP 104 Ca 0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 5r1r h ASP 104 Cb 0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.55 5r1r h ASP 104 CO -0.02 0.25 -0.03 -0.74 -1.72 0.00 0.00 179.24 176.98 5r1r h HIS 105 N 0.54 -0.07 -0.41 4.55 2.76 -0.87 -0.89 115.15 120.76 5r1r h HIS 105 Ca 0.29 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.47 5r1r h HIS 105 Cb 0.25 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 5r1r h HIS 105 CO -0.11 0.05 0.25 0.28 -1.30 0.00 0.00 177.93 177.10 5r1r h VAL 106 N -0.19 1.05 0.16 5.26 2.07 -0.44 -0.68 116.25 123.49 5r1r h VAL 106 Ca -0.01 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.36 5r1r h VAL 106 Cb 0.16 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 5r1r h VAL 106 CO 0.01 0.09 -0.30 0.58 0.02 0.00 0.00 177.57 177.98 5r1r h VAL 107 N 0.50 0.37 -0.56 2.57 2.07 -0.50 -0.39 116.25 120.30 5r1r h VAL 107 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 5r1r h VAL 107 Cb -0.01 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 5r1r h VAL 107 CO -0.07 0.00 0.16 0.50 0.02 0.00 0.00 177.57 178.18 5r1r h LYS 108 N -0.54 0.30 -0.29 1.57 3.64 -0.91 -1.51 116.57 118.83 5r1r h LYS 108 Ca 0.02 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 5r1r h LYS 108 Cb 0.55 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 5r1r h LYS 108 CO -0.14 0.20 -0.08 0.52 -2.27 0.00 0.00 179.45 177.67 5r1r h MET 109 N 0.31 0.47 -0.23 1.90 2.86 -0.71 -2.15 114.93 117.39 5r1r h MET 109 Ca 0.28 -0.12 -0.16 0.00 -2.06 0.00 0.00 59.70 57.65 5r1r h MET 109 Cb 0.38 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 5r1r h MET 109 CO -0.33 0.57 -0.49 0.28 1.06 0.00 0.00 176.91 177.99 5r1r h VAL 110 N 0.45 1.31 -0.24 -2.22 2.07 -0.13 -1.30 116.25 116.19 5r1r h VAL 110 Ca 0.09 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.82 5r1r h VAL 110 Cb 0.42 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 5r1r h VAL 110 CO 0.02 0.54 -0.22 -0.33 0.02 0.00 0.00 177.57 177.60 5r1r h GLU 111 N 0.49 0.45 -0.00 1.57 5.08 -1.02 -2.29 114.58 118.86 5r1r h GLU 111 Ca 0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 5r1r h GLU 111 Cb 1.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.25 5r1r h GLU 111 CO 0.10 0.65 -0.02 -1.33 -1.00 0.00 0.00 179.01 177.41 5r1r n MET 112 N -4.14 0.62 -1.05 2.33 2.81 -0.83 -4.92 117.12 111.94 5r1r n MET 112 Ca -0.00 -0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 5r1r n MET 112 Cb 0.38 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.22 0.52 0.07 3.03 0.00 -0.86 -4.92 105.19 104.25 5r1r n GLY 113 Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.71 0.64 -4.55 1.61 4.76 -0.54 -4.81 118.16 112.57 5r1r n LYS 114 Ca -0.02 0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 5r1r n LYS 114 Cb 0.08 -1.67 -0.13 0.00 -1.84 0.00 0.00 35.03 31.47 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 -3.05 2.38 0.31 2.13 2.02 -1.14 -4.47 117.35 115.51 5r1r s TYR 115 Ca -0.06 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 5r1r s TYR 115 Cb 0.10 -1.33 -0.12 0.00 -0.40 0.00 0.00 41.96 40.21 5r1r s TYR 115 CO 0.84 0.28 1.46 -3.47 -1.57 0.00 0.00 175.55 173.09 5r1r n ASP 116 N 1.20 3.32 0.22 2.29 -0.08 -0.24 -4.44 116.55 118.82 5r1r n ASP 116 Ca -0.17 1.17 0.10 0.00 -1.51 0.00 0.00 54.79 54.38 5r1r n ASP 116 Cb 0.53 -1.53 0.45 0.00 2.34 0.00 0.00 41.12 42.90 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 3.81 0.00 0.06 1.67 7.08 -1.91 -2.88 115.58 123.41 5r1r h ASN 117 Ca -0.47 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.75 5r1r h ASN 117 Cb 1.25 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.49 5r1r h ASN 117 CO 0.72 0.22 -0.00 0.45 -2.08 0.00 0.00 177.43 176.73 5r1r h HIS 118 N 0.00 0.00 -0.82 4.14 3.86 -1.99 -2.15 115.15 118.20 5r1r h HIS 118 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 5r1r h HIS 118 Cb 0.77 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 5r1r h HIS 118 CO 0.00 0.00 0.50 -0.07 0.86 0.00 0.00 177.93 179.22 5r1r h LEU 119 N 0.00 0.98 -0.16 2.43 3.38 -1.89 0.37 115.31 120.41 5r1r h LEU 119 Ca -0.00 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 5r1r h LEU 119 Cb 0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 5r1r h LEU 119 CO 0.00 0.76 -0.97 -0.07 0.09 0.00 0.00 178.44 178.25 5r1r h LEU 120 N 1.12 0.38 0.23 1.67 3.38 -1.62 -2.45 115.31 118.03 5r1r h LEU 120 Ca 0.29 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 5r1r h LEU 120 Cb -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.59 5r1r h LEU 120 CO -0.06 1.15 -0.11 -0.33 0.09 0.00 0.00 178.44 179.18 5r1r h GLU 121 N 0.14 -0.30 0.00 1.13 5.08 -1.33 -3.22 114.58 116.07 5r1r h GLU 121 Ca -0.07 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 5r1r h GLU 121 Cb 1.62 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 5r1r h GLU 121 CO 0.16 -0.09 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.37 5r1r h ASP 122 N -0.47 0.00 -4.32 1.42 3.32 -0.35 -3.44 116.42 112.58 5r1r h ASP 122 Ca -0.03 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.47 5r1r h ASP 122 Cb 0.36 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.63 5r1r h ASP 122 CO 0.05 0.26 -0.83 -0.31 -1.72 0.00 0.00 179.24 176.69 5r1r s TYR 123 N -4.08 1.60 0.41 4.55 2.02 -0.92 -5.07 117.35 115.85 5r1r s TYR 123 Ca -0.02 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.28 5r1r s TYR 123 Cb 0.13 -1.00 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 5r1r s TYR 123 CO 0.66 0.01 0.74 0.95 -1.57 0.00 0.00 175.55 176.34 5r1r s THR 124 N -0.55 4.87 0.29 -0.71 -4.23 -1.26 -4.61 115.64 109.43 5r1r s THR 124 Ca 0.06 0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.98 5r1r s THR 124 Cb -0.07 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.28 5r1r s THR 124 CO 0.00 -0.59 1.69 -0.08 -0.54 0.00 0.00 174.62 175.10 5r1r h GLU 125 N 0.99 0.38 -0.61 3.99 4.81 -1.99 0.94 114.58 123.08 5r1r h GLU 125 Ca -0.47 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 5r1r h GLU 125 Cb 1.19 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 5r1r h GLU 125 CO 0.63 0.25 0.32 1.49 -0.73 0.00 0.00 179.01 180.97 5r1r h GLU 126 N 0.39 0.85 -0.40 1.92 4.57 -1.98 0.62 114.58 120.55 5r1r h GLU 126 Ca 0.56 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.54 5r1r h GLU 126 Cb 1.06 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 5r1r h GLU 126 CO -0.53 0.64 -0.15 0.93 -1.18 0.00 0.00 179.01 178.72 5r1r h GLU 127 N 0.86 0.81 -0.62 1.92 5.08 0.51 -2.35 114.58 120.80 5r1r h GLU 127 Ca 0.22 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 5r1r h GLU 127 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 5r1r h GLU 127 CO -0.03 0.96 0.01 0.74 -1.00 0.00 0.00 179.01 179.69 5r1r h PHE 128 N 0.62 1.17 -0.80 4.33 0.04 -0.98 -1.85 116.94 119.48 5r1r h PHE 128 Ca 0.10 -0.20 0.14 0.00 2.80 0.00 0.00 57.97 60.81 5r1r h PHE 128 Cb 0.69 -0.31 -0.09 0.00 2.20 0.00 0.00 35.95 38.44 5r1r h PHE 128 CO 0.05 1.02 0.38 0.87 -0.60 0.00 0.00 178.31 180.03 5r1r h LYS 129 N 0.99 0.53 -0.23 1.51 1.57 -0.72 -1.56 116.57 118.66 5r1r h LYS 129 Ca 0.18 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 5r1r h LYS 129 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 5r1r h LYS 129 CO 0.03 0.35 -0.37 0.37 -0.57 0.00 0.00 179.45 179.26 5r1r h GLN 130 N 0.54 0.65 -0.83 3.15 4.15 -0.97 -3.19 115.11 118.61 5r1r h GLN 130 Ca 0.44 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 5r1r h GLN 130 Cb 0.64 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 5r1r h GLN 130 CO -0.38 1.01 0.42 0.52 -1.93 0.00 0.00 178.83 178.47 5r1r h MET 131 N 0.36 1.19 -0.96 1.69 2.86 -0.82 -2.22 114.93 117.03 5r1r h MET 131 Ca 0.02 -0.17 0.20 0.00 -2.06 0.00 0.00 59.70 57.69 5r1r h MET 131 Cb 0.96 -0.22 -0.08 0.00 0.06 0.00 0.00 31.60 32.32 5r1r h MET 131 CO 0.08 0.91 0.61 0.22 1.06 0.00 0.00 176.91 179.79 5r1r h ASP 132 N 1.18 0.57 0.83 1.22 1.82 -1.29 0.61 116.42 121.36 5r1r h ASP 132 Ca 0.29 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.97 5r1r h ASP 132 Cb 0.09 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 5r1r h ASP 132 CO -0.04 0.21 -0.13 0.71 -1.61 0.00 0.00 179.24 178.39 5r1r h THR 133 N 0.56 0.36 0.02 2.25 1.35 -1.39 -2.92 112.91 113.14 5r1r h THR 133 Ca 0.52 -0.79 -0.23 0.00 -0.55 0.00 0.00 66.41 65.36 5r1r h THR 133 Cb 1.07 1.59 0.02 0.00 -1.73 0.00 0.00 68.15 69.10 5r1r h THR 133 CO -0.26 0.13 -0.89 -0.26 -0.25 0.00 0.00 175.52 173.98 5r1r h PHE 134 N 0.00 0.86 -2.60 4.73 0.04 0.22 -3.46 116.94 116.74 5r1r h PHE 134 Ca -0.00 -0.48 -0.60 0.00 2.80 0.00 0.00 57.97 59.69 5r1r h PHE 134 Cb 0.58 -0.09 0.13 0.00 2.20 0.00 0.00 35.95 38.77 5r1r h PHE 134 CO 0.00 1.32 -0.05 -0.89 -0.60 0.00 0.00 178.31 178.09 5r1r n ILE 135 N -4.00 2.12 -3.66 -0.55 5.41 -1.00 -5.00 119.36 112.68 5r1r n ILE 135 Ca -0.11 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.84 5r1r n ILE 135 Cb 0.81 -0.87 -0.14 0.00 -0.71 0.00 0.00 39.64 38.73 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 -0.78 3.76 0.53 4.38 -1.08 -1.26 -5.00 116.67 117.22 5r1r s ASP 136 Ca 0.62 -1.77 0.34 0.00 -0.52 0.00 0.00 52.55 51.22 5r1r s ASP 136 Cb -0.62 -0.73 1.54 0.00 -1.46 0.00 0.00 42.92 41.65 5r1r s ASP 136 CO 0.58 -0.39 2.02 0.45 0.52 0.00 0.00 175.17 178.35 5r1r h HIS 137 N 7.84 0.00 0.00 -5.34 3.86 -1.97 -2.36 115.15 117.19 5r1r h HIS 137 Ca -0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 5r1r h HIS 137 Cb 1.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 5r1r h HIS 137 CO 0.37 0.00 -0.02 -0.44 0.86 0.00 0.00 177.93 178.70 5r1r h ASP 138 N 0.00 0.00 0.17 2.45 3.32 -2.03 0.18 116.42 120.51 5r1r h ASP 138 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 5r1r h ASP 138 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 5r1r h ASP 138 CO 0.00 0.02 0.00 0.03 -1.72 0.00 0.00 179.24 177.57 5r1r h ARG 139 N 0.00 0.00 -0.31 3.56 3.08 -1.83 -0.18 114.38 118.70 5r1r h ARG 139 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 5r1r h ARG 139 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 5r1r h ARG 139 CO 0.00 0.00 0.22 -0.44 -1.07 0.00 0.00 179.97 178.68 5r1r h ASP 140 N 0.00 0.02 0.14 7.04 3.32 -1.16 0.53 116.42 126.32 5r1r h ASP 140 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 5r1r h ASP 140 Cb 0.08 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 5r1r h ASP 140 CO 0.00 0.02 0.00 0.23 -1.72 0.00 0.00 179.24 177.77 5r1r n MET 141 N -4.45 0.40 0.00 3.56 2.81 -0.08 -3.31 117.12 116.05 5r1r n MET 141 Ca 0.04 0.06 0.11 0.00 -1.81 0.00 0.00 57.70 56.10 5r1r n MET 141 Cb 0.37 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.13 0.02 -2.29 2.03 -2.24 0.18 -4.90 114.28 105.94 5r1r n THR 142 Ca 0.11 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 5r1r n THR 142 Cb 0.09 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 -3.06 2.92 0.25 4.78 0.08 -1.21 -5.04 117.98 116.70 5r1r s PHE 143 Ca 0.07 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.63 5r1r s PHE 143 Cb 0.16 -3.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 5r1r s PHE 143 CO 0.83 -1.40 0.49 -1.54 -0.10 0.00 0.00 175.22 173.50 5r1r s SER 144 N -1.40 6.44 0.22 1.36 1.04 -1.26 -4.69 113.70 115.42 5r1r s SER 144 Ca 0.63 0.62 -0.18 0.00 0.48 0.00 0.00 55.95 57.50 5r1r s SER 144 Cb -0.28 -2.10 0.23 0.00 0.10 0.00 0.00 66.02 63.97 5r1r s SER 144 CO 0.34 -0.12 1.56 0.22 0.98 0.00 0.00 173.24 176.22 5r1r h TYR 145 N 1.94 -1.02 -0.73 5.02 3.20 -1.54 0.28 116.97 124.11 5r1r h TYR 145 Ca -0.48 0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.54 5r1r h TYR 145 Cb 1.19 0.58 -0.05 0.00 1.54 0.00 0.00 36.73 39.99 5r1r h TYR 145 CO 0.57 -0.40 0.45 0.00 -1.64 0.00 0.00 178.16 177.14 5r1r h ALA 146 N 1.33 0.98 -0.44 1.82 0.00 -1.88 -0.64 119.26 120.44 5r1r h ALA 146 Ca 0.33 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.29 5r1r h ALA 146 Cb 0.59 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 5r1r h ALA 146 CO -0.92 0.20 0.13 0.00 0.00 0.00 0.00 179.25 178.66 5r1r h ALA 147 N 1.34 0.51 -0.79 0.00 0.00 -0.66 0.97 119.26 120.63 5r1r h ALA 147 Ca 0.31 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 5r1r h ALA 147 Cb 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 5r1r h ALA 147 CO -0.14 -0.26 0.35 0.28 0.00 0.00 0.00 179.25 179.48 5r1r h VAL 148 N 0.29 1.25 -0.91 0.00 2.07 -0.23 0.24 116.25 118.97 5r1r h VAL 148 Ca 0.21 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.06 5r1r h VAL 148 Cb 0.23 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 5r1r h VAL 148 CO -0.23 0.31 0.57 0.50 0.02 0.00 0.00 177.57 178.73 5r1r h LYS 149 N 1.13 0.97 0.24 1.57 1.63 0.30 0.29 116.57 122.70 5r1r h LYS 149 Ca 0.27 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 5r1r h LYS 149 Cb 0.16 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 5r1r h LYS 149 CO -0.03 0.64 -0.12 1.96 -3.45 0.00 0.00 179.45 178.46 5r1r h GLN 150 N 1.00 -0.31 -0.52 1.90 1.08 -0.14 0.13 115.11 118.25 5r1r h GLN 150 Ca 0.41 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.73 5r1r h GLN 150 Cb 0.23 0.07 -0.10 0.00 -0.05 0.00 0.00 27.48 27.63 5r1r h GLN 150 CO -0.19 0.05 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.48 5r1r h LEU 151 N -0.78 -0.68 -0.95 1.46 3.38 -0.61 0.34 115.31 117.48 5r1r h LEU 151 Ca -0.03 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 5r1r h LEU 151 Cb 0.51 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 5r1r h LEU 151 CO 0.05 -0.22 0.42 -0.08 0.09 0.00 0.00 178.44 178.70 5r1r h GLU 152 N -0.07 1.17 0.09 1.13 4.81 -0.46 -0.45 114.58 120.80 5r1r h GLU 152 Ca 0.25 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 5r1r h GLU 152 Cb 0.45 -0.22 0.02 0.00 0.63 0.00 0.00 28.75 29.63 5r1r h GLU 152 CO -0.57 0.88 -0.93 0.78 -0.73 0.00 0.00 179.01 178.43 5r1r h GLY 153 N 1.19 0.53 -1.57 1.92 0.00 0.32 -3.43 103.07 102.03 5r1r h GLY 153 Ca 0.29 -1.11 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 5r1r h GLY 153 CO -0.04 0.97 -0.61 0.58 0.00 0.00 0.00 176.54 177.44 5r1r n LYS 154 N -4.02 0.00 0.03 4.80 2.85 0.11 -4.97 118.16 116.97 5r1r n LYS 154 Ca -0.13 -1.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.92 5r1r n LYS 154 Cb 0.85 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 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 0.14 -0.38 -1.86 5.58 4.02 -0.65 -4.63 117.16 119.38 5r1r n TYR 155 Ca 0.01 0.07 -0.40 0.00 -0.01 0.00 0.00 57.90 57.56 5r1r n TYR 155 Cb 0.81 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 40.32 5r1r n TYR 155 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 5r1r s LEU 156 N -6.22 4.24 -0.01 7.72 1.43 -0.27 -4.27 118.68 121.30 5r1r s LEU 156 Ca 0.00 2.92 -0.30 0.00 -1.03 0.00 0.00 54.13 55.72 5r1r s LEU 156 Cb 0.00 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 5r1r s LEU 156 CO 0.00 -0.95 1.55 -0.69 0.23 0.00 0.00 176.35 176.49 5r1r s VAL 157 N -1.17 3.52 0.26 -1.59 1.01 -1.26 -4.92 120.40 116.25 5r1r s VAL 157 Ca 0.56 0.82 -0.08 0.00 0.00 0.00 0.00 61.98 63.28 5r1r s VAL 157 Cb -0.44 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 5r1r s VAL 157 CO 0.58 -0.03 0.41 0.00 0.00 0.00 0.00 175.10 176.06 5r1r s GLN 158 N 3.09 1.57 -0.33 2.72 -2.07 -1.26 -0.65 119.66 122.74 5r1r s GLN 158 Ca 0.69 -1.45 -0.13 0.00 -1.82 0.00 0.00 55.36 52.65 5r1r s GLN 158 Cb -0.34 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 5r1r s GLN 158 CO 0.28 -0.63 0.23 1.21 -1.32 0.00 0.00 175.29 175.06 5r1r s ASN 159 N -3.10 6.06 0.22 12.60 3.84 0.76 -4.94 114.94 130.38 5r1r s ASN 159 Ca 0.28 -0.36 0.26 0.00 0.21 0.00 0.00 52.86 53.24 5r1r s ASN 159 Cb 0.01 -2.14 0.86 0.00 -0.55 0.00 0.00 41.25 39.43 5r1r s ASN 159 CO 0.12 -0.21 1.76 0.54 -2.79 0.00 0.00 177.10 176.53 5r1r n ARG 160 N 5.10 0.24 0.00 0.43 1.74 -1.26 -0.49 116.66 122.42 5r1r n ARG 160 Ca -0.13 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 5r1r n ARG 160 Cb 0.50 -1.82 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 n VAL 161 N -2.25 0.00 -0.22 1.55 0.31 -1.26 -4.27 118.33 112.19 5r1r n VAL 161 Ca 0.05 0.62 0.05 0.00 -0.01 0.00 0.00 64.34 65.04 5r1r n VAL 161 Cb 0.38 -1.62 0.30 0.00 -0.91 0.00 0.00 33.84 31.99 5r1r n VAL 161 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 5r1r h THR 162 N 0.00 1.07 0.00 2.52 1.35 -2.01 -3.46 112.91 112.38 5r1r h THR 162 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 5r1r h THR 162 Cb 0.00 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.53 5r1r h THR 162 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 5r1r n GLY 163 N -1.43 1.22 3.62 5.82 0.00 0.35 -5.05 105.19 109.71 5r1r n GLY 163 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 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 1.49 -3.86 1.61 1.02 -1.21 -4.68 120.64 113.10 5r1r n GLU 164 Ca 0.00 0.54 -0.35 0.00 -0.02 0.00 0.00 57.16 57.32 5r1r n GLU 164 Cb 0.00 -2.17 -0.10 0.00 -0.02 0.00 0.00 31.44 29.16 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 0.31 5.00 -0.51 -3.67 1.09 -1.26 -0.17 121.20 121.99 5r1r s ILE 165 Ca 0.78 0.05 0.22 0.00 -1.10 0.00 0.00 60.65 60.59 5r1r s ILE 165 Cb -0.82 -3.28 -0.28 0.00 -1.06 0.00 0.00 42.46 37.01 5r1r s ILE 165 CO 0.47 0.42 0.69 -1.22 -0.10 0.00 0.00 174.94 175.20 5r1r n TYR 166 N 3.78 0.00 -4.32 3.97 4.01 0.18 -3.99 117.16 120.79 5r1r n TYR 166 Ca -0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 5r1r n TYR 166 Cb 0.52 -0.26 -0.08 0.00 -0.31 0.00 0.00 39.34 39.21 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 -3.26 1.73 0.14 -0.72 -1.05 -1.23 -4.93 118.70 109.38 5r1r s GLU 167 Ca -0.00 -2.01 0.11 0.00 -0.15 0.00 0.00 54.97 52.92 5r1r s GLU 167 Cb 0.15 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 5r1r s GLU 167 CO 0.89 -0.58 -0.25 -1.54 0.95 0.00 0.00 175.26 174.72 5r1r s SER 168 N -3.40 3.23 0.33 0.83 1.04 -1.26 -4.85 113.70 109.62 5r1r s SER 168 Ca 0.37 -0.77 0.12 0.00 0.48 0.00 0.00 55.95 56.15 5r1r s SER 168 Cb 0.03 -0.22 0.98 0.00 0.10 0.00 0.00 66.02 66.91 5r1r s SER 168 CO 0.23 0.15 1.69 0.00 0.98 0.00 0.00 173.24 176.29 5r1r h ALA 169 N 3.76 1.84 -0.32 5.32 0.00 -2.00 -1.51 119.26 126.35 5r1r h ALA 169 Ca -0.49 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 5r1r h ALA 169 Cb 1.18 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 5r1r h ALA 169 CO 0.41 -0.44 -0.03 1.96 0.00 0.00 0.00 179.25 181.15 5r1r h GLN 170 N 0.42 0.50 -0.20 0.00 1.08 -1.94 -1.56 115.11 113.42 5r1r h GLN 170 Ca 0.68 -0.11 -0.14 0.00 -1.45 0.00 0.00 58.65 57.64 5r1r h GLN 170 Cb 1.45 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 5r1r h GLN 170 CO -0.55 0.55 -0.45 0.74 -0.95 0.00 0.00 178.83 178.16 5r1r h PHE 171 N 0.48 0.60 0.43 2.96 0.04 -1.70 0.02 116.94 119.76 5r1r h PHE 171 Ca 0.10 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 5r1r h PHE 171 Cb 0.36 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 5r1r h PHE 171 CO 0.01 0.86 -0.32 1.25 -0.60 0.00 0.00 178.31 179.52 5r1r h LEU 172 N 0.40 -0.83 -0.39 1.54 6.46 -1.06 0.30 115.31 121.74 5r1r h LEU 172 Ca 0.03 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 5r1r h LEU 172 Cb 0.95 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 41.06 5r1r h LEU 172 CO 0.08 -0.46 -0.12 1.88 -0.62 0.00 0.00 178.44 179.20 5r1r h TYR 173 N -0.71 -0.28 -0.89 1.25 0.05 -1.15 0.22 116.97 115.45 5r1r h TYR 173 Ca -0.06 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 5r1r h TYR 173 Cb 0.59 0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.47 5r1r h TYR 173 CO -0.09 -0.20 0.53 0.97 -1.05 0.00 0.00 178.16 178.32 5r1r h ILE 174 N -0.04 1.25 0.00 -2.88 6.09 -0.94 -1.34 117.51 119.66 5r1r h ILE 174 Ca 0.19 -0.54 -0.19 0.00 -1.37 0.00 0.00 64.86 62.95 5r1r h ILE 174 Cb 0.33 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.60 5r1r h ILE 174 CO -0.42 0.26 -0.86 -0.07 -3.07 0.00 0.00 178.15 173.99 5r1r h LEU 175 N 1.22 0.21 -0.59 2.19 3.38 -0.17 -1.09 115.31 120.46 5r1r h LEU 175 Ca 0.32 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.15 5r1r h LEU 175 Cb -0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 5r1r h LEU 175 CO -0.06 0.97 0.35 0.58 0.09 0.00 0.00 178.44 180.37 5r1r h VAL 176 N 0.09 1.04 0.61 1.22 2.07 -0.25 0.18 116.25 121.21 5r1r h VAL 176 Ca -0.04 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 5r1r h VAL 176 Cb 1.49 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 5r1r h VAL 176 CO 0.13 0.12 -0.45 0.00 0.02 0.00 0.00 177.57 177.39 5r1r h ALA 177 N 1.27 -1.19 -0.52 1.67 0.00 -1.03 -2.06 119.26 117.40 5r1r h ALA 177 Ca 0.24 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.05 5r1r h ALA 177 Cb 0.06 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 5r1r h ALA 177 CO -0.12 -1.18 -0.16 0.00 0.00 0.00 0.00 179.25 177.80 5r1r h ALA 178 N -1.14 0.29 0.32 0.00 0.00 -0.54 -1.68 119.26 116.51 5r1r h ALA 178 Ca -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 5r1r h ALA 178 Cb 0.84 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 5r1r h ALA 178 CO 0.03 -0.47 -0.21 0.00 0.00 0.00 0.00 179.25 178.60 5r1r h LEU 180 N -0.52 0.00 -3.11 0.00 3.38 -0.99 -2.44 115.31 111.63 5r1r h LEU 180 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 5r1r h LEU 180 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 5r1r h LEU 180 CO 0.02 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.04 5r1r n PHE 181 N -4.20 0.81 -0.35 1.13 3.72 -0.66 -4.69 117.46 113.22 5r1r n PHE 181 Ca -0.02 -0.70 0.06 0.00 -0.05 0.00 0.00 57.45 56.74 5r1r n PHE 181 Cb 0.12 -0.20 0.24 0.00 -0.94 0.00 0.00 39.48 38.71 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 2.09 0.92 -0.03 4.37 4.64 -0.61 -1.34 113.55 123.59 5r1r h SER 182 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 5r1r h SER 182 Cb 1.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 5r1r h SER 182 CO 0.14 0.52 0.00 0.59 -0.87 0.00 0.00 176.83 177.21 5r1r n ASN 183 N -4.57 0.18 -4.81 4.97 4.13 -1.26 -4.88 115.26 109.02 5r1r n ASN 183 Ca 0.17 -1.73 -0.33 0.00 1.68 0.00 0.00 54.58 54.37 5r1r n ASN 183 Cb 0.31 -0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.48 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 -1.97 3.19 0.25 3.10 1.51 -0.51 -4.99 117.35 117.94 5r1r s TYR 184 Ca 0.15 1.59 -0.30 0.00 -1.01 0.00 0.00 57.07 57.49 5r1r s TYR 184 Cb 0.07 -2.94 -0.14 0.00 -0.11 0.00 0.00 41.96 38.85 5r1r s TYR 184 CO 0.11 -0.44 1.25 -0.35 -1.11 0.00 0.00 175.55 175.02 5r1r n PRO 185 N -0.86 1.70 -0.32 -1.71 -0.04 -1.26 -4.50 135.00 128.00 5r1r n PRO 185 Ca 0.08 0.60 0.18 0.00 -0.04 0.00 0.00 63.50 64.32 5r1r n PRO 185 Cb 0.53 -2.15 0.42 0.00 -0.04 0.00 0.00 33.50 32.27 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 3.29 0.54 -1.00 0.54 2.47 -1.96 0.15 114.38 118.41 5r1r h ARG 186 Ca -0.44 -0.03 0.24 0.00 -1.26 0.00 0.00 59.98 58.49 5r1r h ARG 186 Cb 1.31 -0.12 -0.12 0.00 -1.65 0.00 0.00 29.97 29.38 5r1r h ARG 186 CO 0.69 0.36 0.60 1.49 0.56 0.00 0.00 179.97 183.67 5r1r h GLU 187 N 0.56 0.60 0.00 0.04 4.81 -2.04 -3.27 114.58 115.27 5r1r h GLU 187 Ca 0.57 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 5r1r h GLU 187 Cb 1.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.42 5r1r h GLU 187 CO -0.32 0.39 -0.89 0.25 -0.73 0.00 0.00 179.01 177.71 5r1r n THR 188 N -4.87 0.00 -0.24 0.32 -2.24 0.34 -4.85 114.28 102.74 5r1r n THR 188 Ca 0.26 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.87 5r1r n THR 188 Cb 0.71 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.46 -0.25 0.25 -0.78 0.63 -0.18 -1.67 116.66 113.19 5r1r n ARG 189 Ca -0.00 1.20 0.13 0.00 -0.92 0.00 0.00 57.85 58.26 5r1r n ARG 189 Cb 0.03 -1.77 0.57 0.00 0.45 0.00 0.00 32.46 31.73 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 -0.27 6.15 3.38 -1.87 -0.27 115.31 122.44 5r1r h LEU 190 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 5r1r h LEU 190 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 5r1r h LEU 190 CO -0.54 0.11 -0.22 -0.61 0.09 0.00 0.00 178.44 177.27 5r1r h GLN 191 N 0.00 0.63 -0.05 1.13 4.15 -1.65 -1.93 115.11 117.38 5r1r h GLN 191 Ca -0.00 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.10 5r1r h GLN 191 Cb 0.63 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 5r1r h GLN 191 CO 0.01 0.91 0.02 1.88 -1.93 0.00 0.00 178.83 179.73 5r1r h TYR 192 N 0.35 0.07 -0.41 3.99 0.05 -1.02 -1.67 116.97 118.33 5r1r h TYR 192 Ca 0.05 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.91 5r1r h TYR 192 Cb 0.77 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.40 5r1r h TYR 192 CO 0.07 0.16 -0.20 0.28 -1.05 0.00 0.00 178.16 177.42 5r1r h VAL 193 N -0.05 0.41 0.49 -2.88 2.07 -1.00 -1.55 116.25 113.75 5r1r h VAL 193 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 5r1r h VAL 193 Cb 0.12 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 5r1r h VAL 193 CO -0.00 0.00 -0.24 0.50 0.02 0.00 0.00 177.57 177.85 5r1r h LYS 194 N -0.12 -0.64 -0.43 1.57 3.64 -1.15 -0.62 116.57 118.83 5r1r h LYS 194 Ca 0.20 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 5r1r h LYS 194 Cb 0.43 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 5r1r h LYS 194 CO -0.48 -0.42 -0.14 0.00 -2.27 0.00 0.00 179.45 176.14 5r1r h ARG 195 N -0.66 -0.04 -0.43 1.90 3.08 -0.93 -0.19 114.38 117.11 5r1r h ARG 195 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 5r1r h ARG 195 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 5r1r h ARG 195 CO 0.11 -0.02 0.18 0.35 -1.07 0.00 0.00 179.97 179.51 5r1r h PHE 196 N -0.04 0.65 -0.21 3.04 3.57 -1.29 -1.19 116.94 121.47 5r1r h PHE 196 Ca 0.21 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.72 5r1r h PHE 196 Cb 0.36 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 5r1r h PHE 196 CO -0.40 0.56 -0.25 -0.92 -2.23 0.00 0.00 178.31 175.07 5r1r h TYR 197 N 0.55 -0.67 0.12 0.41 3.20 -0.35 -0.68 116.97 119.55 5r1r h TYR 197 Ca 0.14 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.07 5r1r h TYR 197 Cb 0.19 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 5r1r h TYR 197 CO 0.00 -0.33 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.47 5r1r h ASP 198 N -0.28 -0.80 -0.21 -2.11 3.32 -0.93 0.17 116.42 115.57 5r1r h ASP 198 Ca 0.12 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.32 5r1r h ASP 198 Cb 0.47 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 5r1r h ASP 198 CO -0.37 -0.37 -0.34 0.00 -1.72 0.00 0.00 179.24 176.44 5r1r h ALA 199 N 0.21 -0.36 -0.39 3.45 0.00 -0.53 -0.74 119.26 120.90 5r1r h ALA 199 Ca 0.03 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 5r1r h ALA 199 Cb 0.53 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 5r1r h ALA 199 CO -0.16 -0.80 -0.18 -0.39 0.00 0.00 0.00 179.25 177.71 5r1r h VAL 200 N -0.37 1.28 0.00 0.00 -1.51 -1.08 -0.19 116.25 114.39 5r1r h VAL 200 Ca 0.11 -1.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.25 5r1r h VAL 200 Cb 0.56 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 5r1r h VAL 200 CO -0.42 0.44 -0.11 0.77 -1.23 0.00 0.00 177.57 177.02 5r1r h SER 201 N 0.62 0.00 -0.63 4.19 4.64 -0.20 -1.25 113.55 120.91 5r1r h SER 201 Ca 0.09 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.15 5r1r h SER 201 Cb 0.73 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.67 5r1r h SER 201 CO 0.06 0.11 0.23 0.35 -0.87 0.00 0.00 176.83 176.71 5r1r n THR 202 N -3.51 2.81 -2.01 2.95 -2.24 -0.32 -4.96 114.28 107.00 5r1r n THR 202 Ca -0.01 -2.09 -0.15 0.00 -2.27 0.00 0.00 64.05 59.53 5r1r n THR 202 Cb 0.25 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.77 -0.87 0.06 4.78 3.72 -0.47 -4.86 117.46 119.04 5r1r n PHE 203 Ca 0.41 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.67 5r1r n PHE 203 Cb 1.30 -2.96 -0.05 0.00 -0.94 0.00 0.00 39.48 36.82 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 0.46 -5.28 -1.08 6.56 -1.25 -3.41 116.57 112.57 5r1r h LYS 204 Ca -0.33 -0.48 -0.67 0.00 -1.06 0.00 0.00 60.65 58.11 5r1r h LYS 204 Cb 1.14 0.13 -0.31 0.00 -0.57 0.00 0.00 32.23 32.62 5r1r h LYS 204 CO 0.43 1.13 -0.84 0.42 -2.06 0.00 0.00 179.45 178.53 5r1r s ILE 205 N -3.31 2.41 0.16 1.86 1.01 -1.22 -1.07 121.20 121.05 5r1r s ILE 205 Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 5r1r s ILE 205 Cb 0.09 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 5r1r s ILE 205 CO 0.87 0.54 0.35 -0.44 0.00 0.00 0.00 174.94 176.27 5r1r s SER 206 N 0.51 6.40 0.00 3.58 0.01 0.18 -4.45 113.70 119.93 5r1r s SER 206 Ca -0.12 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.56 5r1r s SER 206 Cb -0.17 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 5r1r s SER 206 CO 0.05 0.02 -0.10 -0.76 0.41 0.00 0.00 173.24 172.86 5r1r s LEU 207 N -3.06 2.06 0.72 2.44 1.43 -1.26 -2.17 118.68 118.83 5r1r s LEU 207 Ca 0.38 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 5r1r s LEU 207 Cb -0.12 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.66 5r1r s LEU 207 CO 0.28 0.08 1.10 -0.81 0.23 0.00 0.00 176.35 177.23 5r1r n PRO 208 N 2.62 0.61 -0.06 1.29 -0.04 -1.26 -4.71 135.00 133.45 5r1r n PRO 208 Ca -0.15 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 5r1r n PRO 208 Cb 0.56 -2.35 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 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 -0.16 0.61 -0.89 0.52 2.02 -1.97 -1.94 112.91 111.09 5r1r h THR 209 Ca -0.48 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.79 5r1r h THR 209 Cb 1.33 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 5r1r h THR 209 CO 0.48 0.00 0.58 1.55 0.37 0.00 0.00 175.52 178.50 5r1r h PRO 210 N -0.09 0.89 0.41 6.66 0.13 -1.92 0.73 132.00 138.81 5r1r h PRO 210 Ca 0.14 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 5r1r h PRO 210 Cb 0.30 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.23 5r1r h PRO 210 CO -0.32 0.59 -0.20 0.82 -0.23 0.00 0.00 178.00 178.67 5r1r h ILE 211 N 0.92 0.00 -0.92 -3.56 2.04 -1.63 -2.03 117.51 112.33 5r1r h ILE 211 Ca 0.41 -0.37 0.23 0.00 1.00 0.00 0.00 64.86 66.12 5r1r h ILE 211 Cb 0.35 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.31 5r1r h ILE 211 CO -0.17 0.00 0.43 0.24 0.00 0.00 0.00 178.15 178.65 5r1r h MET 212 N -0.92 0.42 0.00 2.37 2.86 -1.07 -1.57 114.93 117.03 5r1r h MET 212 Ca -0.06 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 5r1r h MET 212 Cb 0.42 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 5r1r h MET 212 CO 0.09 0.28 -0.86 0.66 1.06 0.00 0.00 176.91 178.14 5r1r h SER 213 N 0.43 0.05 0.00 1.22 4.64 -0.97 -3.44 113.55 115.48 5r1r h SER 213 Ca 0.58 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.52 5r1r h SER 213 Cb 1.10 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 5r1r h SER 213 CO -0.52 0.89 -1.95 0.61 -0.87 0.00 0.00 176.83 174.99 5r1r n GLY 214 N 0.93 -0.59 3.53 -0.77 0.00 -0.66 -4.85 105.19 102.77 5r1r n GLY 214 Ca -0.01 -0.10 -0.48 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.34 0.29 0.00 1.61 0.31 -0.77 -0.57 118.33 114.86 5r1r n VAL 215 Ca -0.42 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 5r1r n VAL 215 Cb 0.76 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 8.11 0.00 -3.07 5.55 1.85 -1.26 -4.36 116.66 123.48 5r1r n ARG 216 Ca 0.35 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 57.03 5r1r n ARG 216 Cb 0.30 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.72 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 -1.45 2.90 -0.59 8.89 -4.23 0.27 -1.08 115.64 120.34 5r1r s THR 217 Ca 0.00 -1.04 0.18 0.00 -1.18 0.00 0.00 61.69 59.66 5r1r s THR 217 Cb 0.00 -2.94 0.18 0.00 1.34 0.00 0.00 72.50 71.09 5r1r s THR 217 CO 0.00 0.00 1.57 -2.65 -0.54 0.00 0.00 174.62 173.00 5r1r n PRO 218 N -1.85 0.12 -1.06 3.99 -0.02 -1.26 -4.26 135.00 130.66 5r1r n PRO 218 Ca 0.08 0.44 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 5r1r n PRO 218 Cb 0.59 -1.77 0.20 0.00 -0.02 0.00 0.00 33.50 32.50 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 -3.26 1.98 0.00 3.45 -1.32 -1.26 -4.98 115.64 110.25 5r1r s THR 219 Ca 0.03 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 5r1r s THR 219 Cb 0.08 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.67 5r1r s THR 219 CO 0.28 0.00 0.82 0.54 -2.21 0.00 0.00 174.62 174.05 5r1r n ARG 220 N -4.36 0.00 -3.69 7.08 5.12 -1.26 -4.92 116.66 114.62 5r1r n ARG 220 Ca 0.05 -0.69 -0.39 0.00 -1.93 0.00 0.00 57.85 54.89 5r1r n ARG 220 Cb 0.57 -0.24 -0.12 0.00 -1.16 0.00 0.00 32.46 31.52 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 2.62 0.00 5.56 -1.52 -1.26 -0.74 119.66 124.32 5r1r s GLN 221 Ca 0.02 -1.26 0.00 0.00 -1.95 0.00 0.00 55.36 52.17 5r1r s GLN 221 Cb 0.02 -3.59 0.00 0.00 -0.22 0.00 0.00 33.01 29.23 5r1r s GLN 221 CO -0.01 -0.76 0.63 1.19 -0.25 0.00 0.00 175.29 176.08 5r1r n PHE 222 N 4.86 0.00 -1.70 0.91 3.72 -1.26 -4.94 117.46 119.05 5r1r n PHE 222 Ca -0.11 -0.20 -0.44 0.00 -0.05 0.00 0.00 57.45 56.65 5r1r n PHE 222 Cb 0.44 -0.02 -0.03 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 -0.20 3.52 -0.12 4.37 3.41 -1.26 -4.58 113.62 118.77 5r1r n SER 223 Ca 0.00 1.09 -0.21 0.00 -0.26 0.00 0.00 58.87 59.49 5r1r n SER 223 Cb 0.24 -1.51 -0.10 0.00 -0.26 0.00 0.00 64.21 62.58 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 3.34 2.00 -3.67 4.04 7.64 -1.26 -4.45 113.62 121.25 5r1r n SER 224 Ca 0.15 0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 5r1r n SER 224 Cb 0.32 -0.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.15 2.19 -0.17 0.00 -7.23 -0.68 -0.98 120.40 112.37 5r1r s VAL 226 Ca -0.12 -2.31 0.00 0.00 -1.81 0.00 0.00 61.98 57.74 5r1r s VAL 226 Cb -0.03 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.66 5r1r s VAL 226 CO 0.06 -0.42 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.58 5r1r s LEU 227 N -3.46 1.79 0.02 1.32 1.02 0.62 -1.63 118.68 118.36 5r1r s LEU 227 Ca 0.28 -0.66 0.07 0.00 0.02 0.00 0.00 54.13 53.84 5r1r s LEU 227 Cb -0.02 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 5r1r s LEU 227 CO 0.13 -0.14 -0.18 -0.63 0.02 0.00 0.00 176.35 175.55 5r1r s ILE 228 N 1.54 2.79 -0.16 -0.59 1.01 -0.51 -2.41 121.20 122.86 5r1r s ILE 228 Ca 0.01 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.56 5r1r s ILE 228 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.18 5r1r s ILE 228 CO -0.09 0.39 -0.19 -0.70 0.00 0.00 0.00 174.94 174.35 5r1r s GLU 229 N -1.29 3.06 -0.10 2.79 2.12 -1.26 -1.24 118.70 122.77 5r1r s GLU 229 Ca 0.14 -0.82 -0.19 0.00 0.36 0.00 0.00 54.97 54.47 5r1r s GLU 229 Cb -0.10 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 5r1r s GLU 229 CO 0.04 -0.09 0.50 0.00 -0.54 0.00 0.00 175.26 175.17 5r1r s GLY 231 N 0.49 1.66 -1.44 0.00 0.00 -1.26 -4.57 107.32 102.20 5r1r s GLY 231 Ca 0.27 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 5r1r s GLY 231 CO 0.11 -0.55 2.22 1.34 0.00 0.00 0.00 173.10 176.23 5r1r n ASP 232 N -2.66 4.26 -3.58 1.64 2.03 -1.26 -4.31 116.55 112.67 5r1r n ASP 232 Ca 0.06 -2.86 -0.15 0.00 0.52 0.00 0.00 54.79 52.35 5r1r n ASP 232 Cb 0.59 -1.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.29 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 2.85 -0.66 0.22 1.67 1.04 -1.26 -4.94 113.70 112.61 5r1r s SER 233 Ca 0.47 1.01 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 5r1r s SER 233 Cb 0.14 0.93 0.28 0.00 0.10 0.00 0.00 66.02 67.47 5r1r s SER 233 CO -0.08 -0.41 1.79 -0.07 0.98 0.00 0.00 173.24 175.45 5r1r h LEU 234 N 3.88 0.49 -0.53 2.42 3.38 -1.98 0.25 115.31 123.21 5r1r h LEU 234 Ca -0.27 0.05 0.11 0.00 0.09 0.00 0.00 57.88 57.85 5r1r h LEU 234 Cb 1.15 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 5r1r h LEU 234 CO 0.22 0.30 -0.07 0.44 0.09 0.00 0.00 178.44 179.42 5r1r h ASP 235 N 0.63 -0.37 -0.31 -0.43 3.32 -1.95 0.20 116.42 117.51 5r1r h ASP 235 Ca 0.32 0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.43 5r1r h ASP 235 Cb 0.28 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 5r1r h ASP 235 CO -0.23 -0.14 -0.14 -1.28 -1.72 0.00 0.00 179.24 175.73 5r1r h SER 236 N 0.05 0.66 -0.09 6.45 0.87 -1.27 -0.98 113.55 119.23 5r1r h SER 236 Ca 0.26 -0.41 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 5r1r h SER 236 Cb 0.41 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 5r1r h SER 236 CO -0.50 0.92 -0.19 0.40 -0.53 0.00 0.00 176.83 176.92 5r1r h ILE 237 N 0.40 0.52 -0.08 2.23 2.04 0.32 0.51 117.51 123.45 5r1r h ILE 237 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 5r1r h ILE 237 Cb 0.67 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 5r1r h ILE 237 CO 0.04 0.00 -0.24 0.78 0.00 0.00 0.00 178.15 178.74 5r1r h ASN 238 N -0.26 -0.71 -0.28 1.72 2.35 -0.59 -0.82 115.58 116.97 5r1r h ASN 238 Ca 0.09 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 5r1r h ASN 238 Cb 0.39 0.31 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 5r1r h ASN 238 CO -0.25 -0.29 -0.02 0.00 -1.65 0.00 0.00 177.43 175.22 5r1r h ALA 239 N 0.58 0.23 -0.11 -0.83 0.00 -0.48 0.36 119.26 119.02 5r1r h ALA 239 Ca 0.08 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 5r1r h ALA 239 Cb 0.45 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 5r1r h ALA 239 CO -0.26 -0.43 -0.40 1.15 0.00 0.00 0.00 179.25 179.31 5r1r h THR 240 N 0.06 0.18 -0.37 0.00 2.02 0.24 0.72 112.91 115.76 5r1r h THR 240 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.38 5r1r h THR 240 Cb 0.18 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 5r1r h THR 240 CO -0.24 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.35 5r1r h SER 241 N -0.48 -0.19 -0.22 4.18 0.87 -0.50 0.67 113.55 117.87 5r1r h SER 241 Ca 0.08 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 5r1r h SER 241 Cb 0.61 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 5r1r h SER 241 CO -0.37 -0.06 0.02 0.28 -0.53 0.00 0.00 176.83 176.17 5r1r h SER 242 N 0.08 -0.04 -0.14 6.23 0.02 0.64 -0.96 113.55 119.37 5r1r h SER 242 Ca 0.18 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 5r1r h SER 242 Cb 0.26 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 5r1r h SER 242 CO -0.32 0.01 -0.25 0.00 -1.14 0.00 0.00 176.83 175.14 5r1r h ALA 243 N 1.17 -0.22 -0.46 3.77 0.00 -0.49 -1.51 119.26 121.53 5r1r h ALA 243 Ca 0.10 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.14 5r1r h ALA 243 Cb 0.11 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 5r1r h ALA 243 CO -0.15 -0.71 -0.08 0.82 0.00 0.00 0.00 179.25 179.13 5r1r h ILE 244 N -0.31 0.57 -0.29 0.00 2.04 -0.18 -1.05 117.51 118.29 5r1r h ILE 244 Ca 0.10 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.98 5r1r h ILE 244 Cb 0.46 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 5r1r h ILE 244 CO -0.32 0.01 0.13 0.58 0.00 0.00 0.00 178.15 178.54 5r1r h VAL 245 N 0.03 0.97 -0.43 1.67 2.07 -0.74 0.13 116.25 119.95 5r1r h VAL 245 Ca 0.22 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.68 5r1r h VAL 245 Cb 0.34 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 5r1r h VAL 245 CO -0.45 0.05 0.23 0.11 0.02 0.00 0.00 177.57 177.53 5r1r h LYS 246 N 0.27 0.45 -0.23 1.57 1.79 -0.50 -2.61 116.57 117.31 5r1r h LYS 246 Ca 0.12 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 5r1r h LYS 246 Cb 0.06 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 5r1r h LYS 246 CO -0.10 0.29 -0.41 1.88 -1.08 0.00 0.00 179.45 180.04 5r1r h TYR 247 N 0.46 0.65 0.00 -1.35 0.05 -0.79 -2.89 116.97 113.10 5r1r h TYR 247 Ca 0.18 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 5r1r h TYR 247 Cb 0.07 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 5r1r h TYR 247 CO -0.09 0.87 -0.26 -0.39 -1.05 0.00 0.00 178.16 177.25 5r1r h VAL 248 N 0.45 0.54 0.00 -2.88 -1.51 -0.62 -2.12 116.25 110.11 5r1r h VAL 248 Ca 0.04 -1.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.16 5r1r h VAL 248 Cb 0.91 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 5r1r h VAL 248 CO 0.08 0.25 -0.07 0.77 -1.23 0.00 0.00 177.57 177.37 5r1r h SER 249 N 0.00 0.00 -0.57 4.19 4.64 -1.25 0.15 113.55 120.72 5r1r h SER 249 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 5r1r h SER 249 Cb 0.91 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.94 5r1r h SER 249 CO 0.03 0.07 0.11 0.00 -0.87 0.00 0.00 176.83 176.17 5r1r n GLN 250 N -3.48 3.83 -1.09 4.77 6.02 -0.82 -4.97 117.38 121.65 5r1r n GLN 250 Ca -0.02 -3.08 -0.03 0.00 -0.01 0.00 0.00 57.00 53.86 5r1r n GLN 250 Cb 0.20 -2.14 -0.01 0.00 1.02 0.00 0.00 30.24 29.30 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 -0.04 -0.92 -2.69 -1.09 1.74 0.54 -4.87 116.66 109.32 5r1r n ARG 251 Ca 0.33 0.43 -0.33 0.00 -0.77 0.00 0.00 57.85 57.50 5r1r n ARG 251 Cb 1.21 -4.23 -0.06 0.00 -1.02 0.00 0.00 32.46 28.37 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 -1.75 2.98 0.05 7.54 0.00 -1.06 -4.93 121.76 124.59 5r1r s ALA 252 Ca 0.00 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 5r1r s ALA 252 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 5r1r s ALA 252 CO 0.00 -0.05 0.68 0.20 0.00 0.00 0.00 175.76 176.59 5r1r s GLY 253 N -2.18 2.73 -0.10 0.00 0.00 0.13 -4.57 107.32 103.33 5r1r s GLY 253 Ca 0.64 0.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 5r1r s GLY 253 CO 0.17 0.85 -0.02 -0.42 0.00 0.00 0.00 173.10 173.68 5r1r s ILE 254 N -0.42 4.12 -0.18 0.90 -1.09 -0.58 -1.69 121.20 122.27 5r1r s ILE 254 Ca 0.34 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 5r1r s ILE 254 Cb -0.20 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.96 5r1r s ILE 254 CO 0.21 0.58 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.49 5r1r s GLY 255 N -0.62 1.42 -0.12 6.18 0.00 -0.64 -1.25 107.32 112.29 5r1r s GLY 255 Ca 0.10 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.65 5r1r s GLY 255 CO 0.02 0.24 -0.18 -0.42 0.00 0.00 0.00 173.10 172.76 5r1r s ILE 256 N 1.21 2.54 -0.33 0.90 1.01 0.15 -1.42 121.20 125.26 5r1r s ILE 256 Ca 0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 5r1r s ILE 256 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 5r1r s ILE 256 CO -0.09 0.54 0.25 0.21 0.00 0.00 0.00 174.94 175.85 5r1r s ASN 257 N 0.46 6.07 -0.12 3.58 2.47 -0.38 -0.67 114.94 126.36 5r1r s ASN 257 Ca -0.13 -0.31 0.15 0.00 0.42 0.00 0.00 52.86 52.99 5r1r s ASN 257 Cb -0.17 -2.14 0.35 0.00 -1.45 0.00 0.00 41.25 37.84 5r1r s ASN 257 CO 0.05 -0.22 1.17 0.00 -3.72 0.00 0.00 177.10 174.39 5r1r n ALA 258 N 5.14 2.90 0.22 1.71 0.00 -0.95 -0.91 120.51 128.61 5r1r n ALA 258 Ca -0.12 -2.69 0.08 0.00 0.00 0.00 0.00 53.44 50.71 5r1r n ALA 258 Cb 0.50 -0.47 0.50 0.00 0.00 0.00 0.00 19.45 19.98 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 0.71 0.00 0.82 0.00 0.00 -1.82 -3.08 103.07 99.69 5r1r h GLY 259 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 5r1r h GLY 259 CO 0.03 0.00 -0.21 0.54 0.00 0.00 0.00 176.54 176.89 5r1r n ARG 260 N -3.64 0.55 -1.85 4.80 1.74 -1.26 -4.79 116.66 112.21 5r1r n ARG 260 Ca -0.01 -0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.40 5r1r n ARG 260 Cb 0.38 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.62 3.32 0.55 0.55 1.01 -1.17 -4.47 121.20 118.37 5r1r s ILE 261 Ca 0.23 0.39 -0.21 0.00 0.00 0.00 0.00 60.65 61.05 5r1r s ILE 261 Cb 0.19 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 5r1r s ILE 261 CO 0.53 -0.04 1.20 -2.11 0.00 0.00 0.00 174.94 174.52 5r1r n ARG 262 N 7.39 1.41 -1.30 2.79 1.85 -1.26 -4.80 116.66 122.74 5r1r n ARG 262 Ca 0.19 0.52 -0.31 0.00 -1.00 0.00 0.00 57.85 57.26 5r1r n ARG 262 Cb 0.42 -2.39 0.10 0.00 -1.05 0.00 0.00 32.46 29.54 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 -1.35 2.14 0.16 2.89 0.00 -1.26 -4.21 121.76 120.13 5r1r s ALA 263 Ca 0.72 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 52.51 5r1r s ALA 263 Cb -0.44 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 5r1r s ALA 263 CO 0.49 -1.84 1.68 -1.17 0.00 0.00 0.00 175.76 174.92 5r1r s LEU 264 N -5.94 4.37 0.00 0.00 2.96 -1.26 -2.43 118.68 116.39 5r1r s LEU 264 Ca 0.61 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 57.24 5r1r s LEU 264 Cb -0.17 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.93 5r1r s LEU 264 CO 0.56 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 5r1r n GLY 265 N 3.94 1.79 3.63 7.98 0.00 -0.13 -4.91 105.19 117.49 5r1r n GLY 265 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.81 -4.77 1.61 7.64 -1.02 -4.90 113.62 112.98 5r1r n SER 266 Ca 0.00 0.75 -0.40 0.00 1.01 0.00 0.00 58.87 60.23 5r1r n SER 266 Cb 0.00 -1.42 0.01 0.00 -1.01 0.00 0.00 64.21 61.79 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 -3.06 3.88 -0.04 1.43 0.04 -1.26 -3.90 135.00 132.08 5r1r s PRO 267 Ca 0.76 2.44 -0.30 0.00 0.04 0.00 0.00 61.00 63.94 5r1r s PRO 267 Cb -0.38 -2.78 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 5r1r s PRO 267 CO 0.47 -0.67 2.04 1.51 0.04 0.00 0.00 177.00 180.39 5r1r n ILE 268 N 0.09 0.64 -2.37 0.56 3.06 -1.26 -4.79 119.36 115.28 5r1r n ILE 268 Ca 0.03 -0.23 -0.42 0.00 -2.50 0.00 0.00 62.75 59.64 5r1r n ILE 268 Cb 0.41 -2.35 -0.01 0.00 0.54 0.00 0.00 39.64 38.23 5r1r n ILE 268 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 5r1r n ARG 269 N 7.82 2.98 -3.54 9.51 3.00 -1.05 -4.59 116.66 130.79 5r1r n ARG 269 Ca 0.23 -3.08 -0.24 0.00 -0.00 0.00 0.00 57.85 54.76 5r1r n ARG 269 Cb 0.41 -3.47 0.01 0.00 0.00 0.00 0.00 32.46 29.40 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 5.20 -0.87 0.00 5.14 0.00 -1.26 -3.12 105.19 110.27 5r1r n GLY 270 Ca 0.49 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 -1.22 3.10 3.62 -0.02 0.00 -1.26 -5.05 105.19 104.35 5r1r n GLY 271 Ca -0.24 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.07 1.61 2.02 -1.18 -4.97 118.70 118.99 5r1r s GLU 272 Ca 0.00 0.80 -0.15 0.00 0.02 0.00 0.00 54.97 55.64 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 1.22 0.00 0.02 0.00 0.00 175.26 175.35 5r1r s ALA 273 N 4.07 3.93 -0.91 5.21 0.00 -1.26 -2.53 121.76 130.27 5r1r s ALA 273 Ca 0.47 -3.26 0.16 0.00 0.00 0.00 0.00 51.96 49.33 5r1r s ALA 273 Cb -0.10 -3.95 0.71 0.00 0.00 0.00 0.00 23.12 19.78 5r1r s ALA 273 CO 0.24 -2.70 1.60 1.19 0.00 0.00 0.00 175.76 176.10 5r1r n PHE 274 N 5.29 1.57 -0.27 0.00 3.01 -1.26 -4.19 117.46 121.61 5r1r n PHE 274 Ca 0.28 -0.59 0.07 0.00 1.01 0.00 0.00 57.45 58.22 5r1r n PHE 274 Cb 0.45 -0.31 0.21 0.00 -0.01 0.00 0.00 39.48 39.82 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 3.81 0.48 0.00 1.38 3.86 -1.86 -0.92 115.15 121.89 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 1.53 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.91 5r1r h HIS 275 CO 0.82 -0.01 0.00 1.79 0.86 0.00 0.00 177.93 181.39 5r1r h THR 276 N 0.38 0.00 -0.18 2.45 1.35 -1.91 -0.31 112.91 114.69 5r1r h THR 276 Ca 0.45 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 5r1r h THR 276 Cb 0.76 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 5r1r h THR 276 CO -0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.41 5r1r n GLY 277 N -0.08 -1.79 0.21 5.82 0.00 -0.35 -4.63 105.19 104.37 5r1r n GLY 277 Ca 0.02 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 0.44 0.32 -0.99 0.00 1.08 -1.97 -0.96 117.51 115.42 5r1r h ILE 279 Ca 0.05 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.74 5r1r h ILE 279 Cb 0.80 0.32 -0.10 0.00 -3.07 0.00 0.00 36.82 34.77 5r1r h ILE 279 CO 0.06 0.00 0.62 -0.65 -0.69 0.00 0.00 178.15 177.49 5r1r h PRO 280 N -0.41 0.60 -0.08 2.37 0.11 -1.85 0.30 132.00 133.03 5r1r h PRO 280 Ca 0.08 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 5r1r h PRO 280 Cb 0.54 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.51 5r1r h PRO 280 CO -0.31 0.40 -0.24 0.74 -0.21 0.00 0.00 178.00 178.38 5r1r h PHE 281 N 0.62 0.40 -0.59 0.65 0.04 -1.62 -2.64 116.94 113.80 5r1r h PHE 281 Ca 0.57 -0.16 0.12 0.00 2.80 0.00 0.00 57.97 61.30 5r1r h PHE 281 Cb 1.09 -0.07 -0.10 0.00 2.20 0.00 0.00 35.95 39.08 5r1r h PHE 281 CO -0.00 0.86 0.03 1.88 -0.60 0.00 0.00 178.31 180.47 5r1r h TYR 282 N -0.17 0.01 -0.86 -0.55 -1.99 0.52 0.69 116.97 114.61 5r1r h TYR 282 Ca -0.01 0.04 0.15 0.00 2.00 0.00 0.00 58.73 60.91 5r1r h TYR 282 Cb 0.86 0.08 -0.09 0.00 2.00 0.00 0.00 36.73 39.58 5r1r h TYR 282 CO 0.12 -0.13 0.45 0.87 -0.00 0.00 0.00 178.16 179.48 5r1r h LYS 283 N 0.15 0.63 -0.59 4.88 1.57 -0.56 0.38 116.57 123.03 5r1r h LYS 283 Ca 0.30 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 5r1r h LYS 283 Cb 0.48 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 5r1r h LYS 283 CO -0.48 0.42 -0.05 1.25 -0.57 0.00 0.00 179.45 180.02 5r1r h HIS 284 N 0.65 1.18 -0.55 -1.35 2.76 0.62 -1.66 115.15 116.80 5r1r h HIS 284 Ca 0.47 -0.22 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 5r1r h HIS 284 Cb 0.65 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 5r1r h HIS 284 CO -0.08 1.05 0.05 0.74 -1.30 0.00 0.00 177.93 178.39 5r1r h PHE 285 N 0.97 1.01 -0.16 5.26 0.04 0.34 -1.83 116.94 122.56 5r1r h PHE 285 Ca 0.16 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.81 5r1r h PHE 285 Cb 0.62 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 5r1r h PHE 285 CO 0.04 0.91 -0.04 0.37 -0.60 0.00 0.00 178.31 178.99 5r1r h GLN 286 N 0.82 -0.00 -0.35 1.51 4.15 -0.72 0.60 115.11 121.12 5r1r h GLN 286 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 5r1r h GLN 286 Cb 0.47 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 5r1r h GLN 286 CO 0.02 -0.00 0.19 1.79 -1.93 0.00 0.00 178.83 178.90 5r1r h THR 287 N -0.00 1.11 -0.14 2.39 1.35 -1.16 0.84 112.91 117.31 5r1r h THR 287 Ca 0.08 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 5r1r h THR 287 Cb 0.12 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 5r1r h THR 287 CO -0.17 0.12 0.04 0.00 -0.25 0.00 0.00 175.52 175.27 5r1r h ALA 288 N 1.73 0.18 -0.73 6.62 0.00 -0.41 -0.72 119.26 125.93 5r1r h ALA 288 Ca 0.13 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.94 5r1r h ALA 288 Cb 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 5r1r h ALA 288 CO -0.02 -0.20 0.46 0.28 0.00 0.00 0.00 179.25 179.77 5r1r h VAL 289 N 0.04 1.11 -0.32 0.00 2.07 0.17 -2.18 116.25 117.14 5r1r h VAL 289 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 5r1r h VAL 289 Cb 0.22 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 5r1r h VAL 289 CO -0.00 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.04 5r1r n LYS 290 N -4.64 1.81 -0.19 1.57 4.01 0.14 -4.54 118.16 116.31 5r1r n LYS 290 Ca 0.08 -1.25 0.11 0.00 -0.51 0.00 0.00 58.31 56.74 5r1r n LYS 290 Cb 0.08 -1.30 0.41 0.00 -0.51 0.00 0.00 35.03 33.71 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 2.12 0.56 -1.72 4.39 4.64 -0.44 -2.82 113.55 120.28 5r1r h SER 291 Ca 0.00 0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 60.69 5r1r h SER 291 Cb 0.48 -0.10 -0.37 0.00 -0.31 0.00 0.00 62.40 62.10 5r1r h SER 291 CO 0.00 0.32 -0.14 0.00 -0.87 0.00 0.00 176.83 176.14 5r1r s SER 293 N -2.75 -0.05 0.00 0.00 1.04 -1.07 -4.91 113.70 105.98 5r1r s SER 293 Ca 0.49 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.12 5r1r s SER 293 Cb 0.40 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.62 5r1r s SER 293 CO -0.26 -0.13 0.00 0.00 0.98 0.00 0.00 173.24 173.84 5r1r n GLN 294 N 4.05 0.00 -0.07 4.02 3.00 -1.22 -1.83 117.38 125.33 5r1r n GLN 294 Ca -0.25 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.66 5r1r n GLN 294 Cb 0.52 0.00 -0.11 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 -0.68 0.00 1.08 0.00 -1.26 -4.94 105.19 99.39 5r1r n GLY 295 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 2.15 -0.91 0.00 -0.02 0.00 -0.76 -4.98 105.19 100.67 5r1r n GLY 296 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.01 1.61 0.24 -1.26 -4.92 118.33 110.99 5r1r n VAL 297 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 5r1r n VAL 297 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.94 3.14 0.00 7.34 3.52 -1.26 -4.88 118.95 125.87 5r1r s ARG 298 Ca 0.00 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 5r1r s ARG 298 Cb 0.00 -4.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 5r1r s ARG 298 CO 0.00 -1.49 0.00 0.41 -0.81 0.00 0.00 175.30 173.41 5r1r n GLY 299 N 5.22 2.37 1.18 8.12 0.00 -1.26 -3.44 105.19 117.39 5r1r n GLY 299 Ca -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 1.28 -2.28 3.41 -0.02 0.00 -1.26 -4.78 105.19 101.54 5r1r n GLY 300 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 2.44 0.07 4.61 0.00 -1.26 -4.71 121.76 122.92 5r1r s ALA 301 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 5r1r s ALA 301 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.51 5r1r s ALA 301 CO 0.00 0.55 0.31 0.00 0.00 0.00 0.00 175.76 176.63 5r1r s ALA 302 N -0.85 -0.68 -0.08 0.00 0.00 -1.26 -1.52 121.76 117.37 5r1r s ALA 302 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.00 5r1r s ALA 302 Cb -0.10 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.49 5r1r s ALA 302 CO 0.03 -0.50 -0.13 0.99 0.00 0.00 0.00 175.76 176.16 5r1r s THR 303 N -3.14 1.23 -0.16 0.00 2.01 -0.38 -1.49 115.64 113.71 5r1r s THR 303 Ca -0.01 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 5r1r s THR 303 Cb 0.01 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 5r1r s THR 303 CO -0.07 0.38 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.02 5r1r s LEU 304 N 0.86 3.47 -0.10 4.42 0.20 -0.08 0.31 118.68 127.76 5r1r s LEU 304 Ca -0.11 -0.04 -0.02 0.00 0.69 0.00 0.00 54.13 54.66 5r1r s LEU 304 Cb -0.15 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 5r1r s LEU 304 CO 0.01 0.18 -0.01 -0.36 -0.29 0.00 0.00 176.35 175.88 5r1r s PHE 305 N 0.29 3.10 0.00 5.38 0.40 0.15 0.35 117.98 127.66 5r1r s PHE 305 Ca -0.01 0.09 -0.13 0.00 -0.60 0.00 0.00 56.93 56.28 5r1r s PHE 305 Cb -0.13 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.60 5r1r s PHE 305 CO 0.02 0.36 0.26 1.52 0.70 0.00 0.00 175.22 178.08 5r1r s TYR 306 N -0.64 -0.10 0.55 0.36 -0.85 -0.75 -2.25 117.35 113.67 5r1r s TYR 306 Ca 0.10 0.09 -0.20 0.00 -0.52 0.00 0.00 57.07 56.54 5r1r s TYR 306 Cb -0.12 0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.23 5r1r s TYR 306 CO 0.02 -0.39 1.24 -1.25 -1.52 0.00 0.00 175.55 173.65 5r1r s PRO 307 N -1.65 3.16 0.35 -3.49 0.04 -1.26 -0.10 135.00 132.05 5r1r s PRO 307 Ca -0.12 1.94 0.06 0.00 0.04 0.00 0.00 61.00 62.92 5r1r s PRO 307 Cb -0.05 -2.11 0.65 0.00 0.04 0.00 0.00 34.50 33.03 5r1r s PRO 307 CO 0.02 -1.08 1.87 1.98 0.04 0.00 0.00 177.00 179.83 5r1r h MET 308 N 1.27 0.42 -0.03 4.56 4.05 -1.40 -2.52 114.93 121.28 5r1r h MET 308 Ca -0.50 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 58.82 5r1r h MET 308 Cb 1.29 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 5r1r h MET 308 CO 0.57 0.51 0.00 -2.67 0.23 0.00 0.00 176.91 175.54 5r1r n TRP 309 N -4.26 0.03 -1.59 1.39 4.27 -1.26 -4.75 117.44 111.27 5r1r n TRP 309 Ca 0.01 -0.02 -0.44 0.00 -3.89 0.00 0.00 57.50 53.16 5r1r n TRP 309 Cb 0.27 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.21 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 -0.42 1.18 -0.24 -2.67 -0.00 -0.95 -1.58 115.22 110.54 5r1r n HIS 310 Ca 0.19 0.68 0.13 0.00 0.46 0.00 0.00 57.72 59.19 5r1r n HIS 310 Cb 0.20 -2.24 0.42 0.00 -0.12 0.00 0.00 29.99 28.26 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 1.88 0.57 -3.20 0.27 5.85 -1.57 -1.58 115.31 117.52 5r1r h LEU 311 Ca -0.40 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 5r1r h LEU 311 Cb 1.34 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 5r1r h LEU 311 CO 0.60 0.29 0.09 -0.62 -0.34 0.00 0.00 178.44 178.45 5r1r n GLU 312 N -4.54 3.84 -0.35 1.25 1.02 -1.26 -4.68 120.64 115.93 5r1r n GLU 312 Ca 0.17 -2.57 0.12 0.00 -0.02 0.00 0.00 57.16 54.86 5r1r n GLU 312 Cb 0.50 -2.11 0.32 0.00 -0.02 0.00 0.00 31.44 30.13 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 2.86 0.74 0.00 2.62 3.04 -1.58 0.34 116.25 124.28 5r1r h VAL 313 Ca 0.09 -0.27 -0.07 0.00 -1.01 0.00 0.00 66.70 65.45 5r1r h VAL 313 Cb 1.86 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 5r1r h VAL 313 CO 0.49 0.14 -0.32 -0.33 -1.01 0.00 0.00 177.57 176.55 5r1r h GLU 314 N 0.78 0.00 0.20 4.17 5.08 -1.85 0.12 114.58 123.08 5r1r h GLU 314 Ca 0.56 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.60 5r1r h GLU 314 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.11 5r1r h GLU 314 CO -0.34 0.32 -1.46 0.77 -1.00 0.00 0.00 179.01 177.29 5r1r h SER 315 N 0.00 0.65 0.01 1.42 0.02 -1.38 -3.36 113.55 110.91 5r1r h SER 315 Ca -0.00 -0.74 -0.00 0.00 -0.84 0.00 0.00 61.79 60.20 5r1r h SER 315 Cb 0.74 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.07 5r1r h SER 315 CO 0.04 1.59 -0.00 -0.07 -1.14 0.00 0.00 176.83 177.25 5r1r h LEU 316 N 0.11 -0.01 -2.03 5.07 3.38 -0.76 -3.17 115.31 117.91 5r1r h LEU 316 Ca -0.23 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.53 5r1r h LEU 316 Cb 2.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 5r1r h LEU 316 CO 0.23 0.24 0.35 -0.07 0.09 0.00 0.00 178.44 179.27 5r1r h LEU 317 N -0.26 0.00 -3.27 1.67 4.07 -0.92 -1.75 115.31 114.86 5r1r h LEU 317 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 5r1r h LEU 317 Cb 0.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 5r1r h LEU 317 CO 0.00 0.00 -0.00 1.33 -1.08 0.00 0.00 178.44 178.69 5r1r n VAL 318 N -3.18 2.32 0.21 1.22 0.24 -1.20 -4.71 118.33 113.25 5r1r n VAL 318 Ca 0.01 -2.06 0.05 0.00 -2.04 0.00 0.00 64.34 60.30 5r1r n VAL 318 Cb 0.44 -0.27 0.48 0.00 -1.47 0.00 0.00 33.84 33.02 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 1.53 0.01 -1.41 1.34 3.38 -1.38 -2.19 115.31 116.60 5r1r h LEU 319 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 5r1r h LEU 319 Cb 1.48 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 5r1r h LEU 319 CO 0.25 0.21 0.00 0.29 0.09 0.00 0.00 178.44 179.28 5r1r n LYS 320 N -4.30 1.96 -2.10 1.13 5.02 -1.26 -2.32 118.16 116.29 5r1r n LYS 320 Ca -0.02 -1.41 -0.43 0.00 -2.02 0.00 0.00 58.31 54.43 5r1r n LYS 320 Cb 0.26 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.94 6.17 0.32 4.39 2.47 -0.83 -4.89 114.94 120.63 5r1r s ASN 321 Ca 0.34 1.36 0.01 0.00 0.42 0.00 0.00 52.86 54.98 5r1r s ASN 321 Cb 0.20 -2.53 0.55 0.00 -1.45 0.00 0.00 41.25 38.02 5r1r s ASN 321 CO 0.32 -1.48 1.96 -0.55 -3.72 0.00 0.00 177.10 173.63 5r1r h ASN 322 N 11.63 0.85 -1.62 -4.21 -1.07 -1.89 -3.37 115.58 115.90 5r1r h ASN 322 Ca -0.33 -0.01 -0.50 0.00 0.07 0.00 0.00 56.30 55.53 5r1r h ASN 322 Cb 1.15 -0.20 -0.07 0.00 -2.07 0.00 0.00 38.32 37.13 5r1r h ASN 322 CO 1.03 0.59 1.19 -0.60 0.07 0.00 0.00 177.43 179.71 5r1r s ARG 323 N -5.84 3.08 0.00 4.14 3.52 -1.26 -4.88 118.95 117.70 5r1r s ARG 323 Ca -0.11 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 5r1r s ARG 323 Cb 0.19 -4.73 0.00 0.00 -1.56 0.00 0.00 34.95 28.85 5r1r s ARG 323 CO 0.79 -2.51 0.00 0.41 -0.81 0.00 0.00 175.30 173.18 5r1r n GLY 324 N 6.15 0.22 3.71 8.12 0.00 -1.26 -5.13 105.19 117.00 5r1r n GLY 324 Ca 0.22 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 3.27 0.32 1.61 0.11 -1.26 -4.92 120.40 117.53 5r1r s VAL 325 Ca 0.00 0.86 0.10 0.00 -2.93 0.00 0.00 61.98 60.02 5r1r s VAL 325 Cb 0.00 -3.55 0.32 0.00 -1.53 0.00 0.00 36.38 31.61 5r1r s VAL 325 CO 0.00 0.05 1.69 -0.33 -3.33 0.00 0.00 175.10 173.18 5r1r h GLU 326 N 7.12 0.39 0.00 1.54 4.39 -1.95 0.85 114.58 126.92 5r1r h GLU 326 Ca -0.42 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 5r1r h GLU 326 Cb 1.20 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 5r1r h GLU 326 CO 0.88 0.26 -0.11 0.78 -1.16 0.00 0.00 179.01 179.66 5r1r h GLY 327 N 0.41 0.00 -3.65 -3.84 0.00 -2.04 -3.02 103.07 90.92 5r1r h GLY 327 Ca 0.67 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.45 5r1r h GLY 327 CO -0.56 0.00 0.34 0.70 0.00 0.00 0.00 176.54 177.02 5r1r n ASN 328 N -4.34 5.67 -3.76 0.19 5.03 0.29 -4.92 115.26 113.43 5r1r n ASN 328 Ca -0.03 -3.75 -0.13 0.00 0.87 0.00 0.00 54.58 51.54 5r1r n ASN 328 Cb 0.19 -0.77 -0.14 0.00 -1.02 0.00 0.00 39.78 38.03 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 -3.61 0.10 -0.58 3.52 1.81 -1.14 -4.74 118.95 114.31 5r1r s ARG 329 Ca 0.58 0.33 0.04 0.00 -1.72 0.00 0.00 55.73 54.96 5r1r s ARG 329 Cb 0.47 -0.13 0.16 0.00 -0.45 0.00 0.00 34.95 35.00 5r1r s ARG 329 CO 0.02 -0.14 0.40 0.08 -0.68 0.00 0.00 175.30 174.98 5r1r s VAL 330 N 0.95 2.10 -0.66 3.52 1.01 -0.98 -4.98 120.40 121.36 5r1r s VAL 330 Ca -0.07 -3.57 0.25 0.00 0.00 0.00 0.00 61.98 58.59 5r1r s VAL 330 Cb -0.09 -2.41 0.23 0.00 0.00 0.00 0.00 36.38 34.11 5r1r s VAL 330 CO -0.05 -1.01 1.62 0.03 0.00 0.00 0.00 175.10 175.70 5r1r h ARG 331 N 5.78 0.00 -1.24 2.72 3.08 -1.90 -3.38 114.38 119.45 5r1r h ARG 331 Ca 0.12 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.48 5r1r h ARG 331 Cb 0.83 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.58 5r1r h ARG 331 CO 0.61 0.00 0.77 0.72 -1.07 0.00 0.00 179.97 181.00 5r1r n HIS 332 N -2.35 3.15 -3.73 3.04 8.25 -1.26 -4.82 115.22 117.49 5r1r n HIS 332 Ca 0.05 -2.81 -0.13 0.00 -0.26 0.00 0.00 57.72 54.56 5r1r n HIS 332 Cb 0.45 -1.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.17 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 0.32 -0.41 -1.94 -1.26 -4.76 119.30 107.85 5r1r s MET 333 Ca 0.61 0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 55.08 5r1r s MET 333 Cb 0.48 0.22 -0.06 0.00 2.01 0.00 0.00 34.83 37.48 5r1r s MET 333 CO -0.11 -0.06 0.64 -0.51 -0.01 0.00 0.00 175.02 174.97 5r1r s ASP 334 N 0.29 6.55 0.16 3.03 1.01 -0.56 -4.90 116.67 122.25 5r1r s ASP 334 Ca -0.01 0.96 0.07 0.00 0.71 0.00 0.00 52.55 54.28 5r1r s ASP 334 Cb -0.03 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 5r1r s ASP 334 CO -0.00 -0.23 -0.03 -0.31 0.21 0.00 0.00 175.17 174.81 5r1r s TYR 335 N -2.10 2.82 -0.28 4.23 2.02 -1.17 -0.90 117.35 121.97 5r1r s TYR 335 Ca 0.48 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 5r1r s TYR 335 Cb -0.11 -1.39 0.08 0.00 -0.40 0.00 0.00 41.96 40.14 5r1r s TYR 335 CO 0.27 0.50 0.01 0.20 -1.57 0.00 0.00 175.55 174.96 5r1r s GLY 336 N -2.76 1.46 -0.14 0.71 0.00 0.16 -0.85 107.32 105.90 5r1r s GLY 336 Ca 0.26 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 5r1r s GLY 336 CO 0.17 1.06 1.01 0.14 0.00 0.00 0.00 173.10 175.49 5r1r s VAL 337 N 1.28 4.76 -0.23 1.40 1.01 0.22 -1.81 120.40 127.03 5r1r s VAL 337 Ca 0.02 2.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.86 5r1r s VAL 337 Cb -0.19 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 5r1r s VAL 337 CO -0.11 -0.04 0.51 -1.10 0.00 0.00 0.00 175.10 174.36 5r1r s GLN 338 N 2.30 4.14 0.14 2.72 -0.21 0.85 -1.19 119.66 128.40 5r1r s GLN 338 Ca 0.47 0.36 0.08 0.00 0.02 0.00 0.00 55.36 56.29 5r1r s GLN 338 Cb -0.17 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 5r1r s GLN 338 CO 0.15 -0.23 -0.17 0.42 -2.12 0.00 0.00 175.29 173.34 5r1r s ILE 339 N 1.91 1.64 0.34 1.08 1.01 0.20 -0.96 121.20 126.41 5r1r s ILE 339 Ca 0.22 -1.78 0.05 0.00 0.00 0.00 0.00 60.65 59.15 5r1r s ILE 339 Cb -0.15 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 5r1r s ILE 339 CO 0.09 -0.30 0.21 0.54 0.00 0.00 0.00 174.94 175.49 5r1r s ASN 340 N -2.45 1.80 0.17 3.58 4.22 -1.26 -0.98 114.94 120.02 5r1r s ASN 340 Ca 0.12 -1.68 -0.24 0.00 -2.14 0.00 0.00 52.86 48.92 5r1r s ASN 340 Cb -0.06 0.51 0.07 0.00 1.28 0.00 0.00 41.25 43.05 5r1r s ASN 340 CO 0.05 -0.99 1.58 0.50 -2.04 0.00 0.00 177.10 176.20 5r1r h LYS 341 N 2.10 -0.21 -0.86 3.55 3.11 -2.00 -2.54 116.57 119.73 5r1r h LYS 341 Ca -0.29 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.69 5r1r h LYS 341 Cb 1.25 0.05 -0.09 0.00 -1.00 0.00 0.00 32.23 32.44 5r1r h LYS 341 CO 0.45 -0.14 0.47 1.25 -2.81 0.00 0.00 179.45 178.66 5r1r h LEU 342 N -0.22 0.63 0.13 5.20 5.85 -1.97 -0.04 115.31 124.88 5r1r h LEU 342 Ca 0.19 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.00 5r1r h LEU 342 Cb 0.56 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 5r1r h LEU 342 CO -0.65 0.31 -0.21 0.24 -0.34 0.00 0.00 178.44 177.79 5r1r h MET 343 N 0.72 -0.39 -0.39 1.25 2.86 -1.88 -1.10 114.93 116.01 5r1r h MET 343 Ca 0.44 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.16 5r1r h MET 343 Cb 0.53 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 5r1r h MET 343 CO -0.31 -0.26 0.14 1.88 1.06 0.00 0.00 176.91 179.42 5r1r h TYR 344 N -0.41 0.24 -0.66 -0.22 0.05 -1.23 -1.60 116.97 113.14 5r1r h TYR 344 Ca 0.02 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.88 5r1r h TYR 344 Cb 0.42 -0.05 -0.06 0.00 1.01 0.00 0.00 36.73 38.05 5r1r h TYR 344 CO -0.19 0.09 0.36 1.15 -1.05 0.00 0.00 178.16 178.52 5r1r h THR 345 N 0.29 0.96 -0.76 -2.88 2.02 -0.80 0.12 112.91 111.86 5r1r h THR 345 Ca 0.18 -0.23 0.11 0.00 0.77 0.00 0.00 66.41 67.25 5r1r h THR 345 Cb 0.16 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 66.73 5r1r h THR 345 CO -0.19 0.12 0.38 0.03 0.37 0.00 0.00 175.52 176.23 5r1r h ARG 346 N 0.66 0.58 0.31 6.66 2.47 -0.26 -0.33 114.38 124.48 5r1r h ARG 346 Ca 0.30 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 5r1r h ARG 346 Cb 0.20 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 5r1r h ARG 346 CO -0.19 0.39 -0.27 1.25 0.56 0.00 0.00 179.97 181.71 5r1r h LEU 347 N 0.60 -0.71 -0.80 3.04 5.85 -0.21 -1.79 115.31 121.29 5r1r h LEU 347 Ca 0.39 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.25 5r1r h LEU 347 Cb 0.47 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 5r1r h LEU 347 CO -0.31 -0.39 0.46 -0.07 -0.34 0.00 0.00 178.44 177.79 5r1r h LEU 348 N -0.59 0.68 -0.71 2.25 3.38 -0.01 -1.95 115.31 118.36 5r1r h LEU 348 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 5r1r h LEU 348 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 5r1r h LEU 348 CO -0.03 0.41 0.00 0.29 0.09 0.00 0.00 178.44 179.19 5r1r n LYS 349 N -4.73 1.45 -1.94 1.13 5.02 -0.24 -4.92 118.16 113.94 5r1r n LYS 349 Ca 0.12 -0.69 -0.20 0.00 -2.02 0.00 0.00 58.31 55.52 5r1r n LYS 349 Cb 0.24 -1.17 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.83 0.83 3.99 0.72 0.00 -0.73 -4.97 105.19 105.86 5r1r n GLY 350 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.28 1.69 0.48 1.61 2.02 -0.71 -4.83 118.70 114.69 5r1r s GLU 351 Ca 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 5r1r s GLU 351 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 5r1r s GLU 351 CO 0.00 -1.44 0.78 -0.51 0.02 0.00 0.00 175.26 174.12 5r1r s ASP 352 N -4.73 6.27 -0.09 -0.19 1.11 -1.26 -1.89 116.67 115.90 5r1r s ASP 352 Ca 0.66 0.94 0.03 0.00 0.18 0.00 0.00 52.55 54.35 5r1r s ASP 352 Cb -0.05 -2.25 -0.01 0.00 1.07 0.00 0.00 42.92 41.67 5r1r s ASP 352 CO 0.44 -0.57 -0.18 -0.63 1.18 0.00 0.00 175.17 175.41 5r1r s ILE 353 N -2.73 2.68 -0.22 0.77 1.01 0.20 -4.67 121.20 118.25 5r1r s ILE 353 Ca 0.47 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 5r1r s ILE 353 Cb -0.10 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 5r1r s ILE 353 CO 0.44 0.56 0.23 -0.89 0.00 0.00 0.00 174.94 175.28 5r1r s THR 354 N -0.05 5.32 -0.05 2.92 2.01 -1.26 -0.68 115.64 123.85 5r1r s THR 354 Ca -0.05 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 5r1r s THR 354 Cb -0.14 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 5r1r s THR 354 CO 0.04 0.34 0.27 -0.76 -0.69 0.00 0.00 174.62 173.82 5r1r s LEU 355 N 0.99 4.43 0.01 4.42 1.43 0.10 -4.84 118.68 125.23 5r1r s LEU 355 Ca 0.11 0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 5r1r s LEU 355 Cb -0.13 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 5r1r s LEU 355 CO 0.04 0.36 0.05 -0.36 0.23 0.00 0.00 176.35 176.68 5r1r s PHE 356 N -1.08 0.16 0.08 0.29 0.08 -0.61 -2.11 117.98 114.79 5r1r s PHE 356 Ca 0.20 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.63 5r1r s PHE 356 Cb -0.14 -0.12 -0.06 0.00 -0.57 0.00 0.00 43.02 42.12 5r1r s PHE 356 CO 0.09 -0.25 0.81 0.45 -0.10 0.00 0.00 175.22 176.23 5r1r s SER 357 N -1.48 7.30 0.39 1.36 0.15 -1.26 -1.52 113.70 118.63 5r1r s SER 357 Ca -0.15 1.56 0.14 0.00 0.70 0.00 0.00 55.95 58.20 5r1r s SER 357 Cb -0.08 -2.50 0.96 0.00 -1.71 0.00 0.00 66.02 62.69 5r1r s SER 357 CO -0.00 0.02 1.85 -0.65 1.20 0.00 0.00 173.24 175.66 5r1r h PRO 358 N 5.46 0.52 -0.83 5.44 0.11 -1.88 -1.23 132.00 139.58 5r1r h PRO 358 Ca -0.44 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.74 5r1r h PRO 358 Cb 1.21 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 5r1r h PRO 358 CO 0.70 0.34 0.54 0.66 -0.21 0.00 0.00 178.00 180.04 5r1r h SER 359 N 0.53 0.69 0.48 -2.05 4.64 -1.91 -3.01 113.55 112.92 5r1r h SER 359 Ca 0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 5r1r h SER 359 Cb 0.99 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 5r1r h SER 359 CO -0.21 0.40 -0.21 0.47 -0.87 0.00 0.00 176.83 176.41 5r1r n ASP 360 N -4.52 0.49 -3.79 4.97 8.00 -0.46 -4.68 116.55 116.55 5r1r n ASP 360 Ca 0.14 -0.36 -0.29 0.00 0.71 0.00 0.00 54.79 54.99 5r1r n ASP 360 Cb 0.35 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.70 2.05 -0.11 2.53 -7.23 -1.14 -4.94 120.40 108.86 5r1r s VAL 361 Ca 0.21 -3.35 -0.40 0.00 -1.81 0.00 0.00 61.98 56.62 5r1r s VAL 361 Cb 0.19 -2.39 -0.18 0.00 0.56 0.00 0.00 36.38 34.56 5r1r s VAL 361 CO 0.55 -0.96 1.36 -2.65 -0.31 0.00 0.00 175.10 173.08 5r1r n PRO 362 N 2.79 0.52 0.00 4.82 -0.02 -1.26 -1.89 135.00 139.96 5r1r n PRO 362 Ca 0.15 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 5r1r n PRO 362 Cb 0.36 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.71 2.56 0.20 -1.23 0.00 -1.26 -4.88 105.19 103.28 5r1r n GLY 363 Ca 0.23 0.00 -0.15 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 -0.38 -0.11 0.99 6.46 -1.75 -2.49 115.31 118.03 5r1r h LEU 364 Ca 0.00 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 5r1r h LEU 364 Cb 0.00 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 5r1r h LEU 364 CO 0.00 -0.26 -0.08 0.22 -0.62 0.00 0.00 178.44 177.70 5r1r h TYR 365 N -0.47 -0.20 -0.23 1.25 5.03 -1.90 -0.15 116.97 120.30 5r1r h TYR 365 Ca -0.05 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.31 5r1r h TYR 365 Cb 0.36 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 5r1r h TYR 365 CO -0.05 -0.13 0.04 -0.44 -1.32 0.00 0.00 178.16 176.26 5r1r h ASP 366 N -0.09 -0.01 -0.70 -2.11 3.32 -1.95 -2.33 116.42 112.55 5r1r h ASP 366 Ca 0.07 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.21 5r1r h ASP 366 Cb 0.19 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 5r1r h ASP 366 CO -0.17 0.03 0.41 0.00 -1.72 0.00 0.00 179.24 177.79 5r1r h ALA 367 N 1.18 0.93 -0.98 3.45 0.00 -1.05 -0.95 119.26 121.84 5r1r h ALA 367 Ca 0.11 -0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.33 5r1r h ALA 367 Cb 0.11 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 17.58 5r1r h ALA 367 CO -0.15 0.13 0.49 0.35 0.00 0.00 0.00 179.25 180.07 5r1r h PHE 368 N 0.78 0.78 0.05 0.00 3.57 -0.45 0.71 116.94 122.38 5r1r h PHE 368 Ca 0.30 0.04 -0.35 0.00 3.53 0.00 0.00 57.97 61.49 5r1r h PHE 368 Cb 0.12 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 5r1r h PHE 368 CO -0.06 -0.23 -2.01 1.19 -2.23 0.00 0.00 178.31 174.96 5r1r n PHE 369 N -5.13 0.76 0.03 0.41 3.01 -0.99 -4.57 117.46 110.98 5r1r n PHE 369 Ca 0.30 0.21 -0.14 0.00 1.01 0.00 0.00 57.45 58.84 5r1r n PHE 369 Cb 0.96 -1.09 -0.14 0.00 -0.01 0.00 0.00 39.48 39.20 5r1r n PHE 369 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 5r1r h ALA 370 N -0.21 0.46 -2.89 4.37 0.00 -0.64 -3.43 119.26 116.92 5r1r h ALA 370 Ca -0.48 -1.25 -0.37 0.00 0.00 0.00 0.00 54.91 52.81 5r1r h ALA 370 Cb 1.79 0.37 -0.38 0.00 0.00 0.00 0.00 17.79 19.57 5r1r h ALA 370 CO -0.09 1.32 -0.69 0.34 0.00 0.00 0.00 179.25 180.14 5r1r s ASP 371 N -6.69 1.63 0.17 0.00 -1.08 0.19 -4.81 116.67 106.09 5r1r s ASP 371 Ca -0.09 -0.26 -0.06 0.00 -0.52 0.00 0.00 52.55 51.62 5r1r s ASP 371 Cb 0.07 0.07 0.04 0.00 -1.46 0.00 0.00 42.92 41.65 5r1r s ASP 371 CO 0.83 -0.32 1.47 1.56 0.52 0.00 0.00 175.17 179.23 5r1r h GLN 372 N 8.37 0.68 -0.06 4.34 1.08 -1.90 -1.36 115.11 126.26 5r1r h GLN 372 Ca -0.15 -0.43 0.04 0.00 -1.45 0.00 0.00 58.65 56.66 5r1r h GLN 372 Cb 1.14 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.56 5r1r h GLN 372 CO 0.25 1.05 -0.35 0.93 -0.95 0.00 0.00 178.83 179.75 5r1r h GLU 373 N 0.52 -0.46 -0.24 1.46 4.39 -1.95 0.16 114.58 118.47 5r1r h GLU 373 Ca 0.01 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.77 5r1r h GLU 373 Cb 1.11 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 5r1r h GLU 373 CO 0.11 -0.30 0.09 1.49 -1.16 0.00 0.00 179.01 179.24 5r1r h GLU 374 N -0.47 0.20 -0.37 2.33 4.57 -1.90 -0.04 114.58 118.89 5r1r h GLU 374 Ca 0.07 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 5r1r h GLU 374 Cb 0.59 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.06 5r1r h GLU 374 CO -0.32 0.13 -0.11 0.35 -1.18 0.00 0.00 179.01 177.88 5r1r h PHE 375 N 0.20 -0.25 -0.33 0.92 3.57 -0.75 0.39 116.94 120.70 5r1r h PHE 375 Ca 0.10 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.68 5r1r h PHE 375 Cb 0.06 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 5r1r h PHE 375 CO -0.12 -0.18 0.08 1.49 -2.23 0.00 0.00 178.31 177.35 5r1r h GLU 376 N -0.02 0.20 0.54 1.11 4.81 -0.08 0.59 114.58 121.72 5r1r h GLU 376 Ca 0.18 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 5r1r h GLU 376 Cb 0.30 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 5r1r h GLU 376 CO -0.40 0.13 -0.31 -0.09 -0.73 0.00 0.00 179.01 177.61 5r1r h ARG 377 N 0.20 -0.77 -0.82 1.92 2.43 0.51 -0.17 114.38 117.69 5r1r h ARG 377 Ca 0.15 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 5r1r h ARG 377 Cb 0.16 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 5r1r h ARG 377 CO -0.19 -0.51 0.43 -0.07 -1.51 0.00 0.00 179.97 178.12 5r1r h LEU 378 N -0.80 1.03 0.33 3.80 3.38 -0.13 -0.49 115.31 122.44 5r1r h LEU 378 Ca -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 5r1r h LEU 378 Cb 0.64 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 5r1r h LEU 378 CO 0.08 0.84 -0.23 0.22 0.09 0.00 0.00 178.44 179.45 5r1r h TYR 379 N 1.15 -0.60 -0.45 1.13 3.20 0.38 -1.02 116.97 120.76 5r1r h TYR 379 Ca 0.29 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 5r1r h TYR 379 Cb 0.05 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 5r1r h TYR 379 CO 0.01 -0.35 0.17 1.79 -1.64 0.00 0.00 178.16 178.14 5r1r h THR 380 N -0.55 1.21 -0.19 1.81 1.35 -0.84 -1.52 112.91 114.18 5r1r h THR 380 Ca -0.03 -0.64 0.03 0.00 -0.55 0.00 0.00 66.41 65.22 5r1r h THR 380 Cb 0.47 0.79 -0.07 0.00 -1.73 0.00 0.00 68.15 67.61 5r1r h THR 380 CO 0.01 0.24 -0.54 0.50 -0.25 0.00 0.00 175.52 175.48 5r1r h LYS 381 N 0.58 -0.53 0.00 4.72 3.64 -0.96 -1.64 116.57 122.38 5r1r h LYS 381 Ca 0.15 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 5r1r h LYS 381 Cb 0.20 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 5r1r h LYS 381 CO -0.01 -0.35 -0.08 1.88 -2.27 0.00 0.00 179.45 178.62 5r1r h TYR 382 N -0.55 0.00 -0.46 1.91 0.05 -1.01 -1.49 116.97 115.41 5r1r h TYR 382 Ca 0.04 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 5r1r h TYR 382 Cb 0.67 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 5r1r h TYR 382 CO -0.61 0.08 -0.04 0.93 -1.05 0.00 0.00 178.16 177.47 5r1r h GLU 383 N 0.00 0.85 -0.11 4.88 5.08 -0.29 -3.22 114.58 121.76 5r1r h GLU 383 Ca -0.00 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 5r1r h GLU 383 Cb 0.24 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 5r1r h GLU 383 CO 0.01 0.91 -0.69 0.87 -1.00 0.00 0.00 179.01 179.12 5r1r h LYS 384 N 0.69 0.49 -5.97 2.33 6.56 -1.06 -3.43 116.57 116.17 5r1r h LYS 384 Ca 0.13 -0.37 -0.57 0.00 -1.06 0.00 0.00 60.65 58.77 5r1r h LYS 384 Cb 0.56 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.28 5r1r h LYS 384 CO 0.03 1.00 1.49 0.34 -2.06 0.00 0.00 179.45 180.25 5r1r s ASP 385 N -6.97 5.38 0.06 0.86 -1.08 -0.84 -4.87 116.67 109.20 5r1r s ASP 385 Ca -0.07 1.74 0.23 0.00 -0.52 0.00 0.00 52.55 53.93 5r1r s ASP 385 Cb 0.10 -2.51 0.94 0.00 -1.46 0.00 0.00 42.92 39.99 5r1r s ASP 385 CO 0.85 -2.05 1.72 0.47 0.52 0.00 0.00 175.17 176.69 5r1r n ASP 386 N 12.05 0.20 -0.22 -0.34 9.92 -1.26 -2.95 116.55 133.94 5r1r n ASP 386 Ca 0.30 0.53 -0.08 0.00 -0.53 0.00 0.00 54.79 55.01 5r1r n ASP 386 Cb 0.46 -0.58 0.05 0.00 -0.64 0.00 0.00 41.12 40.41 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 1.05 -2.88 -2.24 0.02 -1.95 -3.44 113.55 104.11 5r1r h SER 387 Ca 0.00 -0.27 -0.55 0.00 -0.84 0.00 0.00 61.79 60.13 5r1r h SER 387 Cb 0.43 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 5r1r h SER 387 CO 0.00 1.06 0.88 -0.63 -1.14 0.00 0.00 176.83 177.00 5r1r s ILE 388 N -5.12 3.88 0.16 3.27 1.01 -1.15 -4.98 121.20 118.27 5r1r s ILE 388 Ca -0.12 1.19 -0.32 0.00 0.00 0.00 0.00 60.65 61.40 5r1r s ILE 388 Cb 0.14 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.72 5r1r s ILE 388 CO 0.85 -0.04 1.73 -1.14 0.00 0.00 0.00 174.94 176.34 5r1r n ARG 389 N 5.92 2.61 -3.94 2.79 0.63 -1.26 -4.96 116.66 118.45 5r1r n ARG 389 Ca 0.14 0.94 -0.09 0.00 -0.92 0.00 0.00 57.85 57.92 5r1r n ARG 389 Cb 0.44 -2.79 -0.05 0.00 0.45 0.00 0.00 32.46 30.52 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 1.63 1.56 -0.01 -0.14 -2.85 -1.26 -4.60 119.74 114.07 5r1r s LYS 390 Ca 0.78 -1.15 -0.03 0.00 -1.00 0.00 0.00 55.97 54.58 5r1r s LYS 390 Cb -0.55 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 35.72 5r1r s LYS 390 CO 0.36 -0.66 0.05 -1.14 0.10 0.00 0.00 175.35 174.05 5r1r s GLN 391 N -3.98 0.22 -0.04 1.78 0.74 -0.90 -4.97 119.66 112.51 5r1r s GLN 391 Ca 0.18 -0.20 -0.00 0.00 0.05 0.00 0.00 55.36 55.39 5r1r s GLN 391 Cb -0.02 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 5r1r s GLN 391 CO 0.07 -0.04 0.01 1.03 -0.55 0.00 0.00 175.29 175.81 5r1r s ARG 392 N -0.66 2.90 -0.01 1.67 1.81 -1.26 0.03 118.95 123.43 5r1r s ARG 392 Ca -0.07 -0.50 -0.01 0.00 -1.72 0.00 0.00 55.73 53.42 5r1r s ARG 392 Cb -0.05 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 31.71 5r1r s ARG 392 CO 0.00 0.66 0.02 0.14 -0.68 0.00 0.00 175.30 175.45 5r1r s VAL 393 N -1.00 0.00 0.06 3.52 -7.23 0.14 -4.96 120.40 110.93 5r1r s VAL 393 Ca 0.17 -0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 60.02 5r1r s VAL 393 Cb -0.11 -0.05 -0.08 0.00 0.56 0.00 0.00 36.38 36.70 5r1r s VAL 393 CO 0.07 -0.01 1.66 -0.54 -0.31 0.00 0.00 175.10 175.97 5r1r s LYS 394 N -0.00 4.20 0.35 4.82 1.02 -1.26 0.62 119.74 129.48 5r1r s LYS 394 Ca -0.00 2.32 0.12 0.00 0.02 0.00 0.00 55.97 58.43 5r1r s LYS 394 Cb -0.00 -3.65 0.92 0.00 -0.52 0.00 0.00 37.83 34.58 5r1r s LYS 394 CO 0.00 -0.75 1.78 0.00 -0.92 0.00 0.00 175.35 175.46 5r1r h ALA 395 N 8.50 1.93 -0.63 5.17 0.00 -1.65 -0.68 119.26 131.91 5r1r h ALA 395 Ca -0.42 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.58 5r1r h ALA 395 Cb 1.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 5r1r h ALA 395 CO 0.93 -0.32 0.39 0.28 0.00 0.00 0.00 179.25 180.53 5r1r h VAL 396 N 0.57 1.09 -0.09 0.00 2.07 -1.87 -0.81 116.25 117.22 5r1r h VAL 396 Ca 0.58 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.83 5r1r h VAL 396 Cb 1.17 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 5r1r h VAL 396 CO -0.34 0.14 0.06 -0.33 0.02 0.00 0.00 177.57 177.11 5r1r h GLU 397 N 0.77 0.12 0.10 1.57 5.08 -1.51 -1.56 114.58 119.16 5r1r h GLU 397 Ca 0.25 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 5r1r h GLU 397 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 5r1r h GLU 397 CO -0.10 0.10 -0.06 1.25 -1.00 0.00 0.00 179.01 179.20 5r1r h LEU 398 N 0.10 -0.14 -0.11 1.33 5.85 -1.23 0.78 115.31 121.89 5r1r h LEU 398 Ca 0.03 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.79 5r1r h LEU 398 Cb 0.01 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 5r1r h LEU 398 CO -0.01 -0.10 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.68 5r1r h PHE 399 N -0.15 -0.14 -0.65 1.25 0.04 -1.14 -1.23 116.94 114.92 5r1r h PHE 399 Ca -0.01 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 5r1r h PHE 399 Cb 0.13 0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 5r1r h PHE 399 CO -0.08 -0.09 0.42 0.77 -0.60 0.00 0.00 178.31 178.72 5r1r h SER 400 N -0.05 0.71 -0.65 2.17 0.02 -1.10 0.35 113.55 114.99 5r1r h SER 400 Ca 0.06 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 5r1r h SER 400 Cb 0.15 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 5r1r h SER 400 CO -0.14 0.51 0.37 0.25 -1.14 0.00 0.00 176.83 176.67 5r1r h LEU 401 N 0.85 0.55 -0.09 5.07 5.85 -0.40 0.53 115.31 127.67 5r1r h LEU 401 Ca 0.24 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 5r1r h LEU 401 Cb -0.06 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 5r1r h LEU 401 CO -0.07 0.36 0.04 -0.03 -0.34 0.00 0.00 178.44 178.40 5r1r h MET 402 N 0.69 0.14 -0.31 1.25 4.05 -0.60 -2.07 114.93 118.07 5r1r h MET 402 Ca 0.29 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.61 5r1r h MET 402 Cb 0.16 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 5r1r h MET 402 CO -0.17 0.24 -0.12 0.52 0.23 0.00 0.00 176.91 177.61 5r1r h MET 403 N 0.00 0.53 0.80 0.39 2.86 -0.24 -0.17 114.93 119.11 5r1r h MET 403 Ca 0.03 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 5r1r h MET 403 Cb 0.15 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.76 5r1r h MET 403 CO -0.00 0.65 -0.40 0.37 1.06 0.00 0.00 176.91 178.59 5r1r h GLN 404 N 0.49 -1.06 -0.96 1.72 4.15 0.08 0.60 115.11 120.13 5r1r h GLN 404 Ca 0.09 0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.63 5r1r h GLN 404 Cb 0.51 0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.38 5r1r h GLN 404 CO 0.03 -0.71 0.63 0.93 -1.93 0.00 0.00 178.83 177.78 5r1r h GLU 405 N -1.10 1.14 -0.50 1.69 4.39 -1.23 0.24 114.58 119.21 5r1r h GLU 405 Ca -0.11 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.53 5r1r h GLU 405 Cb 0.85 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 5r1r h GLU 405 CO 0.17 0.76 0.33 -0.09 -1.16 0.00 0.00 179.01 179.02 5r1r h ARG 406 N 1.18 0.65 0.23 2.33 2.43 -0.83 -1.75 114.38 118.62 5r1r h ARG 406 Ca 0.40 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 5r1r h ARG 406 Cb 0.07 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 5r1r h ARG 406 CO -0.13 0.43 -0.11 0.00 -1.51 0.00 0.00 179.97 178.65 5r1r h ALA 407 N 1.19 -0.31 -0.28 2.80 0.00 0.21 0.33 119.26 123.20 5r1r h ALA 407 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 5r1r h ALA 407 Cb -0.07 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 5r1r h ALA 407 CO -0.04 -0.68 -0.08 0.66 0.00 0.00 0.00 179.25 179.11 5r1r h SER 408 N -0.31 0.55 0.28 0.00 4.64 -1.07 -3.33 113.55 114.31 5r1r h SER 408 Ca -0.03 -0.37 -0.33 0.00 -0.47 0.00 0.00 61.79 60.58 5r1r h SER 408 Cb 0.24 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 5r1r h SER 408 CO 0.05 0.80 -1.95 0.35 -0.87 0.00 0.00 176.83 175.21 5r1r n THR 409 N -4.50 1.60 -0.27 2.95 -2.24 -0.67 -4.98 114.28 106.18 5r1r n THR 409 Ca -0.03 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 5r1r n THR 409 Cb 0.32 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 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 1.74 1.82 0.62 3.38 0.00 0.12 -4.86 105.19 108.01 5r1r n GLY 410 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 1.63 -3.60 1.61 5.12 -1.26 -2.47 116.66 115.69 5r1r n ARG 411 Ca 0.00 -3.14 -0.40 0.00 -1.93 0.00 0.00 57.85 52.38 5r1r n ARG 411 Cb 0.00 -1.64 -0.10 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 -3.16 4.18 0.42 0.55 -1.09 -1.26 -3.04 121.20 117.79 5r1r s ILE 412 Ca 0.38 -1.50 -0.01 0.00 -2.23 0.00 0.00 60.65 57.29 5r1r s ILE 412 Cb 0.36 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 5r1r s ILE 412 CO -0.03 -0.56 0.66 -0.31 -1.23 0.00 0.00 174.94 173.46 5r1r s TYR 413 N 1.40 3.43 0.04 3.97 2.02 -0.03 -4.68 117.35 123.51 5r1r s TYR 413 Ca 0.04 0.45 0.06 0.00 -0.37 0.00 0.00 57.07 57.24 5r1r s TYR 413 Cb -0.24 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 5r1r s TYR 413 CO 0.01 -0.14 -0.14 0.42 -1.57 0.00 0.00 175.55 174.13 5r1r s ILE 414 N -2.52 3.09 -0.12 2.71 1.09 -0.90 0.71 121.20 125.27 5r1r s ILE 414 Ca 0.45 -1.07 -0.03 0.00 -1.10 0.00 0.00 60.65 58.90 5r1r s ILE 414 Cb -0.10 -2.33 0.04 0.00 -1.06 0.00 0.00 42.46 39.02 5r1r s ILE 414 CO 0.39 0.33 0.04 -1.58 -0.10 0.00 0.00 174.94 174.02 5r1r s GLN 415 N -1.50 0.39 -0.85 2.79 0.74 -0.33 -1.75 119.66 119.15 5r1r s GLN 415 Ca 0.16 -0.03 -0.22 0.00 0.05 0.00 0.00 55.36 55.31 5r1r s GLN 415 Cb -0.11 -1.38 0.07 0.00 1.10 0.00 0.00 33.01 32.69 5r1r s GLN 415 CO 0.07 -0.48 1.21 -0.80 -0.55 0.00 0.00 175.29 174.74 5r1r s ASN 416 N 2.01 6.39 0.34 6.67 0.01 0.16 -0.63 114.94 129.88 5r1r s ASN 416 Ca 0.03 -1.31 0.14 0.00 -0.71 0.00 0.00 52.86 51.01 5r1r s ASN 416 Cb -0.14 -2.48 0.59 0.00 0.41 0.00 0.00 41.25 39.62 5r1r s ASN 416 CO -0.06 -1.43 1.72 -0.37 -1.51 0.00 0.00 177.10 175.44 5r1r h VAL 417 N 6.19 1.21 0.34 1.60 -1.51 -1.33 -1.26 116.25 121.48 5r1r h VAL 417 Ca -0.02 -1.66 -0.02 0.00 -1.23 0.00 0.00 66.70 63.77 5r1r h VAL 417 Cb 1.04 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 5r1r h VAL 417 CO 1.25 0.46 -0.16 -2.24 -1.23 0.00 0.00 177.57 175.65 5r1r h ASP 418 N 0.00 -0.39 -0.64 4.19 3.04 -1.81 -2.82 116.42 118.00 5r1r h ASP 418 Ca -0.00 -0.15 0.13 0.00 -3.24 0.00 0.00 57.03 53.77 5r1r h ASP 418 Cb 0.89 0.10 -0.11 0.00 -1.04 0.00 0.00 39.33 39.17 5r1r h ASP 418 CO 0.06 -0.04 -0.02 0.45 -2.04 0.00 0.00 179.24 177.65 5r1r h HIS 419 N -0.77 -0.08 0.00 4.15 3.86 -1.86 0.57 115.15 121.02 5r1r h HIS 419 Ca -0.05 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 5r1r h HIS 419 Cb 0.51 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.11 5r1r h HIS 419 CO 0.02 -0.19 0.05 0.00 0.86 0.00 0.00 177.93 178.67 5r1r n ASN 421 N -2.54 3.04 0.14 0.00 3.02 0.17 -4.48 115.26 114.61 5r1r n ASN 421 Ca -0.02 -0.02 -0.00 0.00 -0.03 0.00 0.00 54.58 54.50 5r1r n ASN 421 Cb 0.09 0.33 0.16 0.00 -0.61 0.00 0.00 39.78 39.75 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 1.32 -2.18 3.41 1.35 -0.70 -3.32 112.91 112.78 5r1r h THR 422 Ca -0.23 -2.18 -0.60 0.00 -0.55 0.00 0.00 66.41 62.85 5r1r h THR 422 Cb 1.45 2.22 -0.42 0.00 -1.73 0.00 0.00 68.15 69.67 5r1r h THR 422 CO -0.01 0.60 -0.63 1.57 -0.25 0.00 0.00 175.52 176.80 5r1r n HIS 423 N -3.63 3.41 -4.12 4.73 -0.00 -0.83 -4.87 115.22 109.91 5r1r n HIS 423 Ca -0.01 -4.12 -0.10 0.00 -0.00 0.00 0.00 57.72 53.50 5r1r n HIS 423 Cb 0.65 -0.54 -0.10 0.00 -0.00 0.00 0.00 29.99 30.00 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 -2.44 0.27 0.00 0.26 1.04 -1.25 -4.79 113.70 106.80 5r1r s SER 424 Ca 0.40 -1.14 0.28 0.00 0.48 0.00 0.00 55.95 55.96 5r1r s SER 424 Cb 0.16 0.31 1.40 0.00 0.10 0.00 0.00 66.02 67.98 5r1r s SER 424 CO -0.02 -0.75 1.95 -0.81 0.98 0.00 0.00 173.24 174.59 5r1r n PRO 425 N -0.10 0.40 -4.30 4.02 -0.04 -1.26 -4.68 135.00 129.03 5r1r n PRO 425 Ca -0.06 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.13 5r1r n PRO 425 Cb 0.63 -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 -2.56 2.61 -0.17 0.54 0.08 -1.26 0.02 117.98 117.24 5r1r s PHE 426 Ca 0.26 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.80 5r1r s PHE 426 Cb 0.18 -1.39 -0.00 0.00 -0.57 0.00 0.00 43.02 41.25 5r1r s PHE 426 CO 0.42 0.39 1.04 0.34 -0.10 0.00 0.00 175.22 177.31 5r1r s ASP 427 N -2.11 7.16 0.40 1.36 -1.08 -0.56 -4.58 116.67 117.25 5r1r s ASP 427 Ca 0.19 1.47 0.12 0.00 -0.52 0.00 0.00 52.55 53.80 5r1r s ASP 427 Cb -0.11 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.64 5r1r s ASP 427 CO 0.11 -0.57 1.91 -0.65 0.52 0.00 0.00 175.17 176.49 5r1r h PRO 428 N 7.32 0.10 -0.04 4.34 0.11 -1.86 0.30 132.00 142.28 5r1r h PRO 428 Ca -0.25 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 5r1r h PRO 428 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 5r1r h PRO 428 CO 0.92 0.32 -0.35 0.00 -0.21 0.00 0.00 178.00 178.68 5r1r h ALA 429 N 1.69 1.36 0.00 -0.75 0.00 -1.90 -3.26 119.26 116.40 5r1r h ALA 429 Ca 0.02 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 5r1r h ALA 429 Cb 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 5r1r h ALA 429 CO 0.03 0.47 -1.67 -0.89 0.00 0.00 0.00 179.25 177.19 5r1r n ILE 430 N -4.11 0.67 -2.90 0.00 5.41 -0.01 -4.88 119.36 113.54 5r1r n ILE 430 Ca -0.02 -0.39 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 5r1r n ILE 430 Cb 0.40 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 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 -2.43 -0.46 -1.44 -1.39 0.00 0.86 -5.04 120.51 110.61 5r1r n ALA 431 Ca -0.17 -1.81 -0.30 0.00 0.00 0.00 0.00 53.44 51.17 5r1r n ALA 431 Cb 0.80 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 19.12 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 0.37 1.94 -0.33 0.00 0.04 -1.23 -4.26 135.00 131.53 5r1r s PRO 432 Ca 0.32 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 5r1r s PRO 432 Cb 0.13 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.80 5r1r s PRO 432 CO -0.16 -1.75 0.12 0.08 0.04 0.00 0.00 177.00 175.33 5r1r s VAL 433 N -3.07 4.10 -0.20 -0.36 1.01 -1.26 -4.17 120.40 116.45 5r1r s VAL 433 Ca 0.61 -0.83 0.12 0.00 0.00 0.00 0.00 61.98 61.89 5r1r s VAL 433 Cb -0.15 -3.21 0.43 0.00 0.00 0.00 0.00 36.38 33.44 5r1r s VAL 433 CO 0.55 -0.06 1.21 0.54 0.00 0.00 0.00 175.10 177.34 5r1r n ARG 434 N 4.89 1.68 0.00 2.72 1.74 -1.26 -4.79 116.66 121.63 5r1r n ARG 434 Ca -0.13 -3.29 0.00 0.00 -0.77 0.00 0.00 57.85 53.65 5r1r n ARG 434 Cb 0.47 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.93 -2.05 -0.80 5.56 10.64 -1.26 -4.94 117.38 123.60 5r1r n GLN 435 Ca 0.20 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 5r1r n GLN 435 Cb 0.76 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.14 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 1.06 -3.51 2.61 2.88 -1.26 -4.49 113.62 110.91 5r1r n SER 436 Ca 0.00 -0.40 -0.14 0.00 -1.33 0.00 0.00 58.87 57.00 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 -0.78 1.99 -0.23 -3.46 6.94 -1.21 -4.67 115.26 113.84 5r1r n ASN 437 Ca 0.00 -2.03 -0.10 0.00 -0.02 0.00 0.00 54.58 52.43 5r1r n ASN 437 Cb 0.00 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 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 -1.74 -3.10 -4.53 5.85 -1.87 -1.60 115.31 108.33 5r1r h LEU 438 Ca -0.19 0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 5r1r h LEU 438 Cb 0.68 0.76 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 5r1r h LEU 438 CO 0.30 -0.34 0.16 0.00 -0.34 0.00 0.00 178.44 178.22 5r1r n LEU 440 N 0.09 -2.99 0.00 0.00 7.99 -0.60 -4.46 117.00 117.02 5r1r n LEU 440 Ca 0.28 -0.76 0.00 0.00 -0.01 0.00 0.00 56.01 55.52 5r1r n LEU 440 Cb 1.10 -2.70 0.00 0.00 -0.11 0.00 0.00 43.42 41.71 5r1r n LEU 440 CO 0.31 0.46 -0.42 0.00 -1.51 0.00 0.00 177.39 176.23 5r1r n ALA 441 N -4.50 1.79 -2.37 -1.18 0.00 -1.26 -3.92 120.51 109.07 5r1r n ALA 441 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 5r1r n ALA 441 Cb 0.61 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.79 4.83 -0.30 0.00 -1.09 -1.26 -1.37 121.20 120.21 5r1r s ILE 442 Ca 0.00 1.19 -0.03 0.00 -2.23 0.00 0.00 60.65 59.57 5r1r s ILE 442 Cb 0.00 -3.89 0.11 0.00 -1.58 0.00 0.00 42.46 37.10 5r1r s ILE 442 CO 0.00 0.51 0.16 0.00 -1.23 0.00 0.00 174.94 174.38 5r1r s ALA 443 N -0.77 0.51 0.06 9.38 0.00 -1.26 -3.30 121.76 126.38 5r1r s ALA 443 Ca 0.29 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 5r1r s ALA 443 Cb -0.19 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 5r1r s ALA 443 CO 0.18 -1.71 0.04 -0.51 0.00 0.00 0.00 175.76 173.76 5r1r s LEU 444 N 2.02 2.15 0.35 0.00 1.43 -1.26 -4.78 118.68 118.60 5r1r s LEU 444 Ca 0.10 -0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 52.03 5r1r s LEU 444 Cb -0.16 0.46 -0.10 0.00 0.03 0.00 0.00 46.19 46.41 5r1r s LEU 444 CO -0.33 -0.64 1.34 -2.84 0.23 0.00 0.00 176.35 174.11 5r1r s PRO 445 N -3.90 4.23 0.02 1.29 0.02 -1.26 -4.45 135.00 130.95 5r1r s PRO 445 Ca 0.07 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 5r1r s PRO 445 Cb 0.07 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 5r1r s PRO 445 CO -0.10 -0.31 -0.02 0.95 -0.33 0.00 0.00 177.00 177.19 5r1r s THR 446 N -1.16 0.11 -0.02 0.99 -4.23 -1.26 -4.37 115.64 105.70 5r1r s THR 446 Ca 0.51 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 5r1r s THR 446 Cb -0.40 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.09 5r1r s THR 446 CO 0.54 -0.52 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.46 5r1r s LYS 447 N -1.59 0.98 0.64 3.99 1.02 -0.48 -4.89 119.74 119.41 5r1r s LYS 447 Ca -0.15 -0.35 -0.18 0.00 0.02 0.00 0.00 55.97 55.31 5r1r s LYS 447 Cb -0.09 -0.92 -0.01 0.00 -0.52 0.00 0.00 37.83 36.29 5r1r s LYS 447 CO -0.01 0.17 1.26 -2.14 -0.92 0.00 0.00 175.35 173.70 5r1r s PRO 448 N 0.02 2.62 -0.01 -1.68 0.02 -1.25 -0.89 135.00 133.83 5r1r s PRO 448 Ca -0.00 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 5r1r s PRO 448 Cb -0.07 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 5r1r s PRO 448 CO 0.00 -1.51 0.18 -0.51 -0.33 0.00 0.00 177.00 174.83 5r1r s LEU 449 N -4.38 4.36 0.00 -5.54 1.02 -1.26 -4.41 118.68 108.47 5r1r s LEU 449 Ca 0.80 0.35 0.21 0.00 0.02 0.00 0.00 54.13 55.50 5r1r s LEU 449 Cb -0.34 -2.59 -0.16 0.00 0.02 0.00 0.00 46.19 43.11 5r1r s LEU 449 CO 0.38 0.27 0.92 0.59 0.02 0.00 0.00 176.35 178.54 5r1r n ASN 450 N 0.98 1.26 -3.52 2.29 3.02 -1.26 -4.01 115.26 114.01 5r1r n ASN 450 Ca -0.11 -1.13 -0.10 0.00 -0.03 0.00 0.00 54.58 53.21 5r1r n ASN 450 Cb 0.53 0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.79 -0.39 0.39 6.41 -1.08 -1.26 -4.48 116.67 113.46 5r1r s ASP 451 Ca 0.11 0.16 0.07 0.00 -0.52 0.00 0.00 52.55 52.36 5r1r s ASP 451 Cb 0.16 0.38 0.82 0.00 -1.46 0.00 0.00 42.92 42.82 5r1r s ASP 451 CO 0.76 -0.56 2.00 1.62 0.52 0.00 0.00 175.17 179.51 5r1r h VAL 452 N 2.22 1.04 -0.57 1.11 3.04 -1.91 -2.22 116.25 118.96 5r1r h VAL 452 Ca -0.22 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 5r1r h VAL 452 Cb 1.22 0.34 -0.04 0.00 -2.01 0.00 0.00 31.29 30.80 5r1r h VAL 452 CO 0.32 0.12 0.08 0.59 -1.01 0.00 0.00 177.57 177.67 5r1r n ASN 453 N -4.47 5.06 -4.67 3.17 3.02 -1.26 -4.60 115.26 111.52 5r1r n ASN 453 Ca 0.08 -2.92 -0.42 0.00 -0.03 0.00 0.00 54.58 51.28 5r1r n ASN 453 Cb 0.18 -0.69 -0.03 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 0.35 4.11 0.05 6.41 -0.08 -0.84 -4.85 116.55 121.71 5r1r n ASP 454 Ca 0.29 0.93 0.13 0.00 -1.51 0.00 0.00 54.79 54.64 5r1r n ASP 454 Cb 1.17 -1.53 0.45 0.00 2.34 0.00 0.00 41.12 43.55 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 6.83 0.15 -0.62 -0.67 -0.58 -1.26 -3.31 120.64 121.17 5r1r n GLU 455 Ca 0.19 0.11 0.09 0.00 -0.42 0.00 0.00 57.16 57.13 5r1r n GLU 455 Cb 0.39 -1.66 0.36 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.90 4.80 -4.97 1.62 4.13 -1.26 -4.87 115.26 112.80 5r1r n ASN 456 Ca 0.06 -2.49 -0.21 0.00 1.68 0.00 0.00 54.58 53.62 5r1r n ASN 456 Cb 0.39 -0.58 -0.01 0.00 -1.54 0.00 0.00 39.78 38.04 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 -0.94 1.35 -0.05 7.41 0.00 -1.21 -4.88 107.32 109.01 5r1r s GLY 457 Ca 0.51 -1.24 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 5r1r s GLY 457 CO 0.24 -1.21 -0.01 1.85 0.00 0.00 0.00 173.10 173.97 5r1r s GLU 458 N -4.11 0.53 -0.13 2.90 2.12 -0.06 -4.42 118.70 115.52 5r1r s GLU 458 Ca 0.39 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.79 5r1r s GLU 458 Cb -0.09 -0.78 -0.01 0.00 0.26 0.00 0.00 34.13 33.51 5r1r s GLU 458 CO 0.31 -0.21 -0.14 0.42 -0.54 0.00 0.00 175.26 175.11 5r1r s ILE 459 N 1.48 2.96 0.21 -3.70 1.01 0.15 -1.38 121.20 121.93 5r1r s ILE 459 Ca -0.03 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 5r1r s ILE 459 Cb -0.13 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 5r1r s ILE 459 CO -0.03 0.53 0.60 0.00 0.00 0.00 0.00 174.94 176.03 5r1r s ALA 460 N 0.38 3.52 0.42 9.38 0.00 -1.01 -4.30 121.76 130.14 5r1r s ALA 460 Ca -0.11 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 51.77 5r1r s ALA 460 Cb -0.16 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 5r1r s ALA 460 CO 0.06 0.44 0.02 -0.51 0.00 0.00 0.00 175.76 175.77 5r1r s LEU 461 N -2.47 2.68 -0.49 0.00 1.43 -1.26 -0.28 118.68 118.30 5r1r s LEU 461 Ca 0.45 -1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.01 5r1r s LEU 461 Cb -0.13 -0.79 0.12 0.00 0.03 0.00 0.00 46.19 45.42 5r1r s LEU 461 CO 0.20 -0.55 0.39 0.00 0.23 0.00 0.00 176.35 176.63 5r1r s THR 463 N 1.46 4.42 0.33 0.00 2.01 -1.26 -4.32 115.64 118.27 5r1r s THR 463 Ca 0.05 -1.69 0.09 0.00 0.31 0.00 0.00 61.69 60.44 5r1r s THR 463 Cb -0.27 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 5r1r s THR 463 CO 0.01 -0.77 0.10 -0.76 -0.69 0.00 0.00 174.62 172.51 5r1r s LEU 464 N 1.42 3.20 0.03 4.42 1.43 -1.26 -0.15 118.68 127.77 5r1r s LEU 464 Ca 0.05 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.07 5r1r s LEU 464 Cb -0.27 -1.67 0.10 0.00 0.03 0.00 0.00 46.19 44.39 5r1r s LEU 464 CO 0.00 -0.24 1.16 -0.55 0.23 0.00 0.00 176.35 176.95 5r1r s SER 465 N -3.80 -0.11 -0.04 2.29 0.15 -1.06 -4.48 113.70 106.64 5r1r s SER 465 Ca 0.36 -0.21 -0.16 0.00 0.70 0.00 0.00 55.95 56.64 5r1r s SER 465 Cb -0.03 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 5r1r s SER 465 CO 0.22 -0.51 0.36 0.00 1.20 0.00 0.00 173.24 174.51 5r1r s ALA 466 N -2.74 -0.92 0.02 5.45 0.00 -0.92 -0.81 121.76 121.83 5r1r s ALA 466 Ca 0.13 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 5r1r s ALA 466 Cb 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 5r1r s ALA 466 CO -0.02 -0.26 0.59 -0.06 0.00 0.00 0.00 175.76 176.01 5r1r s PHE 467 N -1.01 3.72 -0.58 0.00 0.08 0.12 0.50 117.98 120.81 5r1r s PHE 467 Ca -0.11 1.22 -0.23 0.00 0.12 0.00 0.00 56.93 57.93 5r1r s PHE 467 Cb -0.04 -2.57 0.05 0.00 -0.57 0.00 0.00 43.02 39.88 5r1r s PHE 467 CO 0.04 0.43 0.94 1.21 -0.10 0.00 0.00 175.22 177.73 5r1r s ASN 468 N -0.48 6.29 0.22 1.36 3.84 -0.23 -1.58 114.94 124.36 5r1r s ASN 468 Ca 0.30 -0.54 0.20 0.00 0.21 0.00 0.00 52.86 53.03 5r1r s ASN 468 Cb -0.19 -2.43 0.91 0.00 -0.55 0.00 0.00 41.25 39.00 5r1r s ASN 468 CO 0.18 -1.27 1.61 0.18 -2.79 0.00 0.00 177.10 175.01 5r1r n LEU 469 N 7.49 0.51 0.19 3.21 4.77 -0.66 -1.50 117.00 131.01 5r1r n LEU 469 Ca -0.00 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 5r1r n LEU 469 Cb 0.47 -0.63 0.22 0.00 -2.33 0.00 0.00 43.42 41.15 5r1r n LEU 469 CO 0.63 -0.62 0.82 1.23 -1.33 0.00 0.00 177.39 178.12 5r1r h GLY 470 N 1.55 0.00 -1.04 -0.72 0.00 -1.77 -3.34 103.07 97.75 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 -0.28 0.00 0.00 0.00 0.00 176.54 176.26 5r1r n ALA 471 N -2.03 3.08 -2.69 3.60 0.00 -0.56 -4.95 120.51 116.95 5r1r n ALA 471 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 5r1r n ALA 471 Cb 0.51 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.97 5.17 -0.24 0.00 -4.36 -1.22 -4.91 121.20 113.67 5r1r s ILE 472 Ca 0.17 -0.12 -0.11 0.00 -0.26 0.00 0.00 60.65 60.34 5r1r s ILE 472 Cb 0.15 -3.68 -0.17 0.00 1.25 0.00 0.00 42.46 40.02 5r1r s ILE 472 CO 0.40 -0.08 -0.10 0.59 0.24 0.00 0.00 174.94 175.99 5r1r n ASN 473 N -0.31 1.97 -4.25 4.36 3.02 -1.26 -4.99 115.26 113.79 5r1r n ASN 473 Ca -0.03 0.23 -0.14 0.00 -0.03 0.00 0.00 54.58 54.60 5r1r n ASN 473 Cb 0.53 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 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 -7.06 1.55 0.31 6.41 6.03 -1.26 -5.03 114.94 115.89 5r1r s ASN 474 Ca -0.33 -1.09 0.25 0.00 -1.03 0.00 0.00 52.86 50.65 5r1r s ASN 474 Cb 0.10 0.04 1.09 0.00 -3.03 0.00 0.00 41.25 39.46 5r1r s ASN 474 CO 0.58 -0.45 1.76 -0.07 -2.03 0.00 0.00 177.10 176.89 5r1r h LEU 475 N 2.72 0.00 0.00 3.54 3.38 -2.01 -1.91 115.31 121.04 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 -2.37 0.00 0.00 -0.43 8.00 -1.26 -1.50 116.55 118.99 5r1r n ASP 476 Ca 0.01 0.24 0.13 0.00 0.71 0.00 0.00 54.79 55.88 5r1r n ASP 476 Cb 0.21 -0.40 0.65 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.40 0.25 0.16 -1.24 1.02 -0.72 -3.14 120.64 115.57 5r1r n GLU 477 Ca 0.09 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 5r1r n GLU 477 Cb 0.26 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.00 0.00 -0.42 -4.62 3.38 -1.46 -3.00 115.31 109.19 5r1r h LEU 478 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 5r1r h LEU 478 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 5r1r h LEU 478 CO 0.00 0.48 0.25 -0.08 0.09 0.00 0.00 178.44 179.18 5r1r h GLU 479 N 0.00 0.48 -0.33 1.13 4.81 -1.74 0.88 114.58 119.82 5r1r h GLU 479 Ca -0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 5r1r h GLU 479 Cb 1.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 5r1r h GLU 479 CO 0.06 0.32 -0.17 1.49 -0.73 0.00 0.00 179.01 179.98 5r1r h GLU 480 N 0.50 0.70 -0.34 1.92 4.57 -1.78 -2.76 114.58 117.38 5r1r h GLU 480 Ca 0.17 -0.31 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 5r1r h GLU 480 Cb 0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 5r1r h GLU 480 CO -0.08 0.91 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.34 5r1r h LEU 481 N 0.47 0.71 -0.07 1.64 3.38 -1.28 -2.33 115.31 117.83 5r1r h LEU 481 Ca 0.07 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.79 5r1r h LEU 481 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 5r1r h LEU 481 CO 0.05 0.94 0.01 0.00 0.09 0.00 0.00 178.44 179.53 5r1r h ALA 482 N 1.11 0.06 -0.23 1.53 0.00 0.82 0.17 119.26 122.74 5r1r h ALA 482 Ca 0.08 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 5r1r h ALA 482 Cb 0.75 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 5r1r h ALA 482 CO 0.06 -0.46 -0.46 0.82 0.00 0.00 0.00 179.25 179.21 5r1r h ILE 483 N 0.04 0.00 -0.31 0.00 2.04 -1.27 0.65 117.51 118.67 5r1r h ILE 483 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 5r1r h ILE 483 Cb 0.02 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 5r1r h ILE 483 CO -0.04 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.10 5r1r h LEU 484 N -0.41 -0.00 0.31 1.44 4.07 -1.13 0.24 115.31 119.83 5r1r h LEU 484 Ca 0.04 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 5r1r h LEU 484 Cb 0.53 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 5r1r h LEU 484 CO -0.43 0.04 -0.23 0.00 -1.08 0.00 0.00 178.44 176.74 5r1r h ALA 485 N 1.23 -0.53 0.16 1.53 0.00 -0.37 -1.62 119.26 119.67 5r1r h ALA 485 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 5r1r h ALA 485 Cb 0.16 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 5r1r h ALA 485 CO -0.19 -0.81 -0.15 0.28 0.00 0.00 0.00 179.25 178.37 5r1r h VAL 486 N -0.54 0.67 -0.21 0.00 2.07 -0.76 -2.12 116.25 115.37 5r1r h VAL 486 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 5r1r h VAL 486 Cb 0.47 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 5r1r h VAL 486 CO 0.00 0.00 -0.10 0.03 0.02 0.00 0.00 177.57 177.52 5r1r h ARG 487 N -0.33 -0.08 -0.88 1.57 3.08 -0.51 -1.15 114.38 116.08 5r1r h ARG 487 Ca 0.00 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.07 5r1r h ARG 487 Cb 0.31 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 5r1r h ARG 487 CO -0.03 -0.05 0.58 0.00 -1.07 0.00 0.00 179.97 179.40 5r1r h ALA 488 N 1.10 1.13 -0.23 0.04 0.00 -1.17 -1.02 119.26 119.11 5r1r h ALA 488 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 5r1r h ALA 488 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 5r1r h ALA 488 CO -0.26 0.48 -0.20 -0.07 0.00 0.00 0.00 179.25 179.21 5r1r h LEU 489 N 1.16 0.57 -0.90 0.00 3.38 -1.12 -1.56 115.31 116.85 5r1r h LEU 489 Ca 0.33 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.94 5r1r h LEU 489 Cb -0.09 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 5r1r h LEU 489 CO -0.08 0.91 0.54 -0.78 0.09 0.00 0.00 178.44 179.12 5r1r h ASP 490 N 0.24 0.80 -0.43 -0.43 3.58 -0.97 0.11 116.42 119.31 5r1r h ASP 490 Ca 0.04 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 5r1r h ASP 490 Cb 0.74 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 5r1r h ASP 490 CO 0.05 0.46 0.22 0.00 -2.88 0.00 0.00 179.24 177.08 5r1r h ALA 491 N 1.47 0.56 -0.75 -0.78 0.00 -1.07 -2.80 119.26 115.88 5r1r h ALA 491 Ca 0.43 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.33 5r1r h ALA 491 Cb 0.36 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 5r1r h ALA 491 CO -0.24 0.10 0.39 1.25 0.00 0.00 0.00 179.25 180.75 5r1r h LEU 492 N 0.56 0.51 -0.86 0.00 5.85 0.21 -1.05 115.31 120.53 5r1r h LEU 492 Ca 0.15 0.06 0.22 0.00 0.84 0.00 0.00 57.88 59.15 5r1r h LEU 492 Cb 0.10 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 40.96 5r1r h LEU 492 CO -0.02 0.29 0.24 -0.07 -0.34 0.00 0.00 178.44 178.53 5r1r h LEU 493 N 0.65 0.02 0.00 2.25 3.38 -0.92 0.18 115.31 120.87 5r1r h LEU 493 Ca 0.37 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.53 5r1r h LEU 493 Cb 0.40 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.39 5r1r h LEU 493 CO -0.27 -0.13 -0.69 0.44 0.09 0.00 0.00 178.44 177.88 5r1r h ASP 494 N 0.23 0.00 -0.01 -0.43 3.32 -1.29 -3.37 116.42 114.87 5r1r h ASP 494 Ca 0.53 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.37 5r1r h ASP 494 Cb 1.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.61 5r1r h ASP 494 CO -0.63 0.01 -0.77 0.22 -1.72 0.00 0.00 179.24 176.35 5r1r h TYR 495 N 0.00 0.80 -4.45 4.55 3.20 0.49 -3.47 116.97 118.09 5r1r h TYR 495 Ca 0.00 -0.42 -0.48 0.00 3.14 0.00 0.00 58.73 60.97 5r1r h TYR 495 Cb 0.98 -0.09 0.09 0.00 1.54 0.00 0.00 36.73 39.25 5r1r h TYR 495 CO 0.00 1.25 0.38 1.14 -1.64 0.00 0.00 178.16 179.29 5r1r s GLN 496 N -3.30 2.36 0.09 1.82 -2.07 -0.37 -5.00 119.66 113.19 5r1r s GLN 496 Ca -0.12 0.20 0.02 0.00 -1.82 0.00 0.00 55.36 53.64 5r1r s GLN 496 Cb 0.05 -2.01 -0.04 0.00 -1.09 0.00 0.00 33.01 29.92 5r1r s GLN 496 CO 0.86 -1.32 0.19 -0.51 -1.32 0.00 0.00 175.29 173.19 5r1r s ASP 497 N -4.48 6.09 -0.28 12.60 1.01 0.08 -5.01 116.67 126.69 5r1r s ASP 497 Ca 0.60 0.15 0.01 0.00 0.71 0.00 0.00 52.55 54.02 5r1r s ASP 497 Cb -0.11 -1.80 0.05 0.00 1.01 0.00 0.00 42.92 42.08 5r1r s ASP 497 CO 0.49 0.14 -0.06 -0.31 0.21 0.00 0.00 175.17 175.65 5r1r s TYR 498 N -1.54 3.26 0.49 4.23 1.51 -1.26 -4.83 117.35 119.20 5r1r s TYR 498 Ca 0.33 -2.09 0.15 0.00 -1.01 0.00 0.00 57.07 54.46 5r1r s TYR 498 Cb -0.12 -2.02 1.16 0.00 -0.11 0.00 0.00 41.96 40.87 5r1r s TYR 498 CO 0.26 -0.84 2.09 -1.00 -1.11 0.00 0.00 175.55 174.95 5r1r h PRO 499 N 7.89 0.01 -4.71 -1.71 0.13 -1.98 -3.42 132.00 128.20 5r1r h PRO 499 Ca -0.21 -0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.34 5r1r h PRO 499 Cb 1.05 -0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.84 5r1r h PRO 499 CO 0.50 0.08 -0.83 0.42 -0.23 0.00 0.00 178.00 177.93 5r1r s ILE 500 N -4.90 1.46 0.30 -3.56 -1.09 -1.26 -5.04 121.20 107.11 5r1r s ILE 500 Ca -0.05 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 5r1r s ILE 500 Cb 0.16 -1.34 0.43 0.00 -1.58 0.00 0.00 42.46 40.13 5r1r s ILE 500 CO 0.68 0.43 1.56 -2.65 -1.23 0.00 0.00 174.94 173.74 5r1r n PRO 501 N 4.23 -0.08 0.31 2.79 -0.02 -1.26 0.05 135.00 141.01 5r1r n PRO 501 Ca -0.19 1.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.98 5r1r n PRO 501 Cb 0.51 -2.36 1.01 0.00 -0.02 0.00 0.00 33.50 32.64 5r1r n PRO 501 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 5r1r h ALA 502 N 1.99 1.37 0.17 3.55 0.00 -1.77 -1.48 119.26 123.08 5r1r h ALA 502 Ca 0.57 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.17 5r1r h ALA 502 Cb 1.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.91 5r1r h ALA 502 CO -0.96 -0.00 -1.47 0.00 0.00 0.00 0.00 179.25 176.82 5r1r h ALA 503 N 2.00 0.10 0.12 0.00 0.00 -0.57 0.48 119.26 121.39 5r1r h ALA 503 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 53.91 5r1r h ALA 503 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 5r1r h ALA 503 CO -0.00 0.97 -0.06 -0.22 0.00 0.00 0.00 179.25 179.94 5r1r h LYS 504 N 0.10 -0.16 -0.62 0.00 3.64 -1.16 -2.46 116.57 115.91 5r1r h LYS 504 Ca -0.23 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.26 5r1r h LYS 504 Cb 2.06 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 33.80 5r1r h LYS 504 CO 0.21 -0.08 -0.40 0.00 -2.27 0.00 0.00 179.45 176.90 5r1r h ARG 505 N -0.19 -0.18 -0.74 1.90 2.47 -1.38 -0.54 114.38 115.71 5r1r h ARG 505 Ca -0.02 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 5r1r h ARG 505 Cb 0.15 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 5r1r h ARG 505 CO 0.03 -0.12 0.34 0.78 0.56 0.00 0.00 179.97 181.56 5r1r h GLY 506 N -0.19 1.16 0.77 0.04 0.00 -1.45 0.15 103.07 103.56 5r1r h GLY 506 Ca 0.21 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 5r1r h GLY 506 CO -0.71 0.56 -0.16 0.00 0.00 0.00 0.00 176.54 176.24 5r1r h ALA 507 N 1.17 0.24 -0.12 3.60 0.00 -0.77 -0.25 119.26 123.13 5r1r h ALA 507 Ca 0.25 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 5r1r h ALA 507 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 5r1r h ALA 507 CO -0.03 0.14 -0.58 0.52 0.00 0.00 0.00 179.25 179.30 5r1r h MET 508 N 0.05 0.39 0.39 0.00 2.07 -1.14 0.38 114.93 117.07 5r1r h MET 508 Ca 0.03 -0.26 -0.02 0.00 -2.07 0.00 0.00 59.70 57.38 5r1r h MET 508 Cb 0.69 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.46 5r1r h MET 508 CO 0.04 0.86 -0.19 0.78 1.07 0.00 0.00 176.91 179.47 5r1r h GLY 509 N 1.26 -0.55 -0.38 8.32 0.00 -0.68 -3.38 103.07 107.66 5r1r h GLY 509 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 5r1r h GLY 509 CO 0.10 -0.20 -0.25 0.54 0.00 0.00 0.00 176.54 176.73 5r1r n ARG 510 N -5.19 2.39 -4.17 4.80 1.74 -0.11 -1.24 116.66 114.88 5r1r n ARG 510 Ca -0.10 -0.50 -0.29 0.00 -0.77 0.00 0.00 57.85 56.19 5r1r n ARG 510 Cb 0.28 -1.06 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 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 -0.42 -1.98 -2.75 5.56 1.74 0.13 -1.41 116.66 117.53 5r1r n ARG 511 Ca 0.04 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.93 5r1r n ARG 511 Cb 0.20 -4.04 -0.03 0.00 -1.02 0.00 0.00 32.46 27.56 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 -4.16 4.88 0.23 0.55 -4.23 -1.26 -3.81 115.64 107.84 5r1r s THR 512 Ca 0.04 1.98 0.11 0.00 -1.18 0.00 0.00 61.69 62.64 5r1r s THR 512 Cb -0.02 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 5r1r s THR 512 CO 0.95 0.15 -0.21 -0.76 -0.54 0.00 0.00 174.62 174.21 5r1r s LEU 513 N 1.12 2.51 -0.38 4.79 1.43 0.73 -4.36 118.68 124.52 5r1r s LEU 513 Ca 0.50 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 5r1r s LEU 513 Cb -0.20 -1.08 0.14 0.00 0.03 0.00 0.00 46.19 45.08 5r1r s LEU 513 CO 0.25 0.05 0.21 -0.83 0.23 0.00 0.00 176.35 176.27 5r1r s GLY 514 N -3.10 1.16 -0.16 -3.19 0.00 0.78 -3.05 107.32 99.76 5r1r s GLY 514 Ca 0.25 -2.11 -0.07 0.00 0.00 0.00 0.00 44.72 42.79 5r1r s GLY 514 CO 0.12 1.86 0.08 -0.42 0.00 0.00 0.00 173.10 174.74 5r1r s ILE 515 N 0.85 4.97 0.00 0.90 1.01 -0.25 -2.56 121.20 126.12 5r1r s ILE 515 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.85 5r1r s ILE 515 Cb -0.23 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.03 5r1r s ILE 515 CO -0.01 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.05 5r1r n GLY 516 N 2.99 5.65 3.55 6.18 0.00 0.01 -1.40 105.19 122.16 5r1r n GLY 516 Ca -0.18 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.62 2.21 0.05 1.61 -7.23 -1.26 0.11 120.40 115.27 5r1r s VAL 517 Ca 0.00 -2.19 -0.06 0.00 -1.81 0.00 0.00 61.98 57.92 5r1r s VAL 517 Cb 0.00 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 5r1r s VAL 517 CO 0.00 -0.18 0.10 0.27 -0.31 0.00 0.00 175.10 174.98 5r1r s ILE 518 N -2.62 0.14 -0.41 -0.62 -4.36 -0.61 -4.29 121.20 108.43 5r1r s ILE 518 Ca 0.33 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 5r1r s ILE 518 Cb 0.03 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.71 5r1r s ILE 518 CO 0.17 -0.65 0.00 -3.20 0.24 0.00 0.00 174.94 171.50 5r1r n ASN 519 N 0.56 -3.33 -0.04 4.36 4.05 -0.46 -1.66 115.26 118.73 5r1r n ASN 519 Ca -0.18 0.09 -0.09 0.00 0.45 0.00 0.00 54.58 54.85 5r1r n ASN 519 Cb 0.59 -1.32 -0.02 0.00 1.23 0.00 0.00 39.78 40.26 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 0.07 -0.34 1.20 3.57 -1.73 0.23 116.94 119.94 5r1r h PHE 520 Ca -0.08 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.49 5r1r h PHE 520 Cb 0.33 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 5r1r h PHE 520 CO 0.11 0.02 -0.02 0.00 -2.23 0.00 0.00 178.31 176.19 5r1r h ALA 521 N 1.15 0.29 -0.66 2.41 0.00 -1.79 0.15 119.26 120.80 5r1r h ALA 521 Ca 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 5r1r h ALA 521 Cb 0.09 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 5r1r h ALA 521 CO -0.12 -0.42 0.23 -0.92 0.00 0.00 0.00 179.25 178.02 5r1r h TYR 522 N 0.07 1.01 0.00 0.00 3.20 -1.84 -1.02 116.97 118.40 5r1r h TYR 522 Ca 0.17 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 5r1r h TYR 522 Cb 0.23 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.20 5r1r h TYR 522 CO -0.26 0.80 -0.00 -0.92 -1.64 0.00 0.00 178.16 176.13 5r1r h TYR 523 N 0.97 -0.00 -0.42 -3.82 3.20 0.83 -1.29 116.97 116.43 5r1r h TYR 523 Ca 0.22 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.13 5r1r h TYR 523 Cb 0.24 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 5r1r h TYR 523 CO 0.02 0.05 0.28 -0.07 -1.64 0.00 0.00 178.16 176.80 5r1r h LEU 524 N -0.06 0.34 -0.29 2.82 3.38 -0.18 -1.95 115.31 119.36 5r1r h LEU 524 Ca -0.00 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 5r1r h LEU 524 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 5r1r h LEU 524 CO 0.00 0.23 -0.72 0.00 0.09 0.00 0.00 178.44 178.04 5r1r h ALA 525 N 1.77 0.46 -0.28 1.53 0.00 -0.49 0.53 119.26 122.77 5r1r h ALA 525 Ca 0.18 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 5r1r h ALA 525 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 5r1r h ALA 525 CO -0.04 0.71 0.03 0.87 0.00 0.00 0.00 179.25 180.82 5r1r h LYS 526 N 0.46 0.42 -0.29 0.00 1.57 -0.50 -1.64 116.57 116.59 5r1r h LYS 526 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 5r1r h LYS 526 Cb 1.32 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.56 5r1r h LYS 526 CO 0.14 0.42 0.00 0.72 -0.57 0.00 0.00 179.45 180.16 5r1r n HIS 527 N -4.34 0.38 -2.97 -1.35 8.25 -0.99 -4.95 115.22 109.24 5r1r n HIS 527 Ca 0.01 -0.19 -0.20 0.00 -0.26 0.00 0.00 57.72 57.08 5r1r n HIS 527 Cb 0.19 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.34 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 1.24 -0.36 3.87 -1.41 0.00 -0.62 -5.02 105.19 102.89 5r1r n GLY 528 Ca 0.17 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.61 2.37 0.23 1.61 -0.14 0.09 -5.03 119.74 113.27 5r1r s LYS 529 Ca 0.29 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.13 5r1r s LYS 529 Cb -0.13 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.76 5r1r s LYS 529 CO 0.36 -0.36 0.11 1.03 -0.76 0.00 0.00 175.35 175.73 5r1r s ARG 530 N -4.17 1.31 -0.09 1.68 0.52 -1.26 -4.47 118.95 112.48 5r1r s ARG 530 Ca 0.42 -1.70 -0.02 0.00 -0.52 0.00 0.00 55.73 53.91 5r1r s ARG 530 Cb -0.02 -0.01 -0.26 0.00 0.52 0.00 0.00 34.95 35.18 5r1r s ARG 530 CO 0.25 -0.34 0.50 1.88 0.02 0.00 0.00 175.30 177.61 5r1r h TYR 531 N 2.50 0.39 0.00 -0.53 -1.99 -1.95 -3.33 116.97 112.06 5r1r h TYR 531 Ca -0.37 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.07 5r1r h TYR 531 Cb 1.25 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.96 5r1r h TYR 531 CO 0.41 1.57 -0.28 -1.13 -0.00 0.00 0.00 178.16 178.72 5r1r n SER 532 N -3.39 0.50 -0.23 3.88 3.41 -1.26 -3.14 113.62 113.38 5r1r n SER 532 Ca -0.27 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 58.69 5r1r n SER 532 Cb 1.05 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.85 1.43 0.00 4.04 5.68 -1.26 -4.07 116.55 120.53 5r1r n ASP 533 Ca 0.05 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 5r1r n ASP 533 Cb 0.39 0.75 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 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 1.42 0.75 0.27 6.12 0.00 -1.26 -4.95 105.19 107.54 5r1r n GLY 534 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 5r1r n GLY 534 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 5r1r h SER 535 N 0.00 0.00 -0.17 1.61 4.64 -1.89 -2.89 113.55 114.84 5r1r h SER 535 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5r1r h SER 535 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 5r1r h SER 535 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 5r1r n ALA 536 N -2.03 2.44 0.08 5.18 0.00 -1.25 -4.69 120.51 120.23 5r1r n ALA 536 Ca -0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 5r1r n ALA 536 Cb 0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 4.11 -1.50 -0.10 0.00 4.21 -1.85 0.21 115.58 120.65 5r1r h ASN 537 Ca 0.00 0.16 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 5r1r h ASN 537 Cb 0.90 0.56 -0.00 0.00 -1.12 0.00 0.00 38.32 38.66 5r1r h ASN 537 CO 0.00 -0.50 0.06 0.78 -1.29 0.00 0.00 177.43 176.48 5r1r h ASN 538 N -0.66 0.13 -0.79 5.81 2.35 -1.83 0.13 115.58 120.72 5r1r h ASN 538 Ca 0.00 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.75 5r1r h ASN 538 Cb 0.68 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.96 5r1r h ASN 538 CO -0.30 0.18 0.45 0.25 -1.65 0.00 0.00 177.43 176.36 5r1r h LEU 539 N 0.07 0.66 -0.14 1.61 5.85 -1.83 0.36 115.31 121.89 5r1r h LEU 539 Ca 0.04 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 5r1r h LEU 539 Cb 0.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 5r1r h LEU 539 CO -0.01 0.40 0.07 0.74 -0.34 0.00 0.00 178.44 179.31 5r1r h THR 540 N 0.79 1.00 -0.47 1.05 2.02 -0.11 0.15 112.91 117.34 5r1r h THR 540 Ca 0.37 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.57 5r1r h THR 540 Cb 0.28 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 5r1r h THR 540 CO -0.22 0.03 0.07 -0.74 0.37 0.00 0.00 175.52 175.03 5r1r h HIS 541 N 0.16 0.10 -0.33 3.16 -0.00 0.73 -0.21 115.15 118.75 5r1r h HIS 541 Ca 0.06 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.46 5r1r h HIS 541 Cb 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 5r1r h HIS 541 CO -0.09 -0.03 0.21 -0.22 -0.00 0.00 0.00 177.93 177.80 5r1r h LYS 542 N 0.19 0.42 -0.35 5.26 3.64 -0.07 -2.43 116.57 123.23 5r1r h LYS 542 Ca 0.23 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 5r1r h LYS 542 Cb 0.32 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 5r1r h LYS 542 CO -0.33 0.28 -0.21 1.15 -2.27 0.00 0.00 179.45 178.06 5r1r h THR 543 N 0.43 1.27 0.00 1.00 2.02 0.17 -2.22 112.91 115.58 5r1r h THR 543 Ca 0.13 -1.28 -0.21 0.00 0.77 0.00 0.00 66.41 65.82 5r1r h THR 543 Cb -0.03 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 5r1r h THR 543 CO -0.04 0.42 -1.11 -0.26 0.37 0.00 0.00 175.52 174.90 5r1r h PHE 544 N 0.59 0.00 -0.44 3.16 -1.00 -1.07 -2.13 116.94 116.04 5r1r h PHE 544 Ca 0.09 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.80 5r1r h PHE 544 Cb 0.68 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 5r1r h PHE 544 CO 0.03 0.88 0.00 1.49 -1.61 0.00 0.00 178.31 179.10 5r1r h GLU 545 N 0.00 0.78 0.02 1.51 4.81 -1.41 -0.06 114.58 120.24 5r1r h GLU 545 Ca -0.08 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 5r1r h GLU 545 Cb 1.74 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.05 5r1r h GLU 545 CO 0.10 0.84 -0.01 0.00 -0.73 0.00 0.00 179.01 179.21 5r1r h ALA 546 N 0.91 -0.03 -0.19 2.92 0.00 -1.36 0.12 119.26 121.62 5r1r h ALA 546 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 5r1r h ALA 546 Cb 0.49 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 5r1r h ALA 546 CO 0.02 -0.50 -0.18 0.82 0.00 0.00 0.00 179.25 179.42 5r1r h ILE 547 N -0.07 0.53 -0.37 0.00 2.04 -1.19 -2.04 117.51 116.41 5r1r h ILE 547 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 5r1r h ILE 547 Cb 0.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 5r1r h ILE 547 CO 0.01 0.00 -0.20 -0.61 0.00 0.00 0.00 178.15 177.35 5r1r h GLN 548 N -0.19 0.79 0.47 2.37 5.75 -0.80 -2.37 115.11 121.13 5r1r h GLN 548 Ca 0.12 -0.35 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 5r1r h GLN 548 Cb 0.37 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.90 5r1r h GLN 548 CO -0.30 0.98 -0.24 -0.92 -2.65 0.00 0.00 178.83 175.70 5r1r h TYR 549 N 0.58 -0.61 -0.21 3.99 3.20 -0.49 -1.45 116.97 121.98 5r1r h TYR 549 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 5r1r h TYR 549 Cb 0.75 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 5r1r h TYR 549 CO 0.06 -0.38 0.11 1.88 -1.64 0.00 0.00 178.16 178.19 5r1r h TYR 550 N -0.65 0.27 -0.34 -3.82 0.05 -1.44 0.23 116.97 111.28 5r1r h TYR 550 Ca -0.06 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 5r1r h TYR 550 Cb 0.50 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 5r1r h TYR 550 CO -0.05 0.20 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.16 5r1r h LEU 551 N 0.28 0.61 -0.50 3.88 3.38 -1.19 0.13 115.31 121.90 5r1r h LEU 551 Ca 0.07 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 5r1r h LEU 551 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 5r1r h LEU 551 CO -0.01 0.79 -0.26 -0.07 0.09 0.00 0.00 178.44 178.98 5r1r h LEU 552 N 0.42 0.98 -0.38 1.67 3.38 -0.59 -0.94 115.31 119.85 5r1r h LEU 552 Ca 0.09 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 5r1r h LEU 552 Cb 0.49 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 5r1r h LEU 552 CO 0.02 1.18 0.18 0.50 0.09 0.00 0.00 178.44 180.41 5r1r h LYS 553 N 0.81 0.55 -0.57 1.13 3.64 -0.38 0.10 116.57 121.85 5r1r h LYS 553 Ca 0.10 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 5r1r h LYS 553 Cb 0.83 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 5r1r h LYS 553 CO 0.07 0.49 0.34 0.00 -2.27 0.00 0.00 179.45 178.08 5r1r h ALA 554 N 1.03 0.74 -0.20 5.00 0.00 -0.49 0.12 119.26 125.46 5r1r h ALA 554 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 5r1r h ALA 554 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 5r1r h ALA 554 CO -0.02 0.06 -0.35 1.03 0.00 0.00 0.00 179.25 179.98 5r1r h SER 555 N 0.67 0.45 -0.14 0.00 0.87 -0.76 -1.02 113.55 113.62 5r1r h SER 555 Ca 0.23 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 5r1r h SER 555 Cb 0.04 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 5r1r h SER 555 CO -0.11 0.76 -0.06 -1.13 -0.53 0.00 0.00 176.83 175.77 5r1r h ASN 556 N 0.37 0.29 -0.94 6.23 -0.00 -0.20 -0.48 115.58 120.84 5r1r h ASN 556 Ca 0.04 -0.40 0.12 0.00 -0.00 0.00 0.00 56.30 56.06 5r1r h ASN 556 Cb 0.78 -0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 38.95 5r1r h ASN 556 CO 0.06 0.62 0.60 -0.33 -0.00 0.00 0.00 177.43 178.39 5r1r h GLU 557 N -0.05 0.86 -0.14 6.67 4.39 -0.61 -0.03 114.58 125.68 5r1r h GLU 557 Ca 0.03 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 5r1r h GLU 557 Cb 0.51 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 5r1r h GLU 557 CO 0.02 0.57 -0.57 1.25 -1.16 0.00 0.00 179.01 179.12 5r1r h LEU 558 N 0.89 0.47 -0.35 1.33 5.85 -0.83 -2.71 115.31 119.97 5r1r h LEU 558 Ca 0.46 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 5r1r h LEU 558 Cb 0.52 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 5r1r h LEU 558 CO -0.22 0.94 -0.17 0.00 -0.34 0.00 0.00 178.44 178.65 5r1r h ALA 559 N 1.07 0.49 -0.20 1.25 0.00 0.65 -0.19 119.26 122.32 5r1r h ALA 559 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.62 5r1r h ALA 559 Cb 1.09 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 5r1r h ALA 559 CO 0.10 0.42 -0.31 0.87 0.00 0.00 0.00 179.25 180.33 5r1r h LYS 560 N 0.51 -0.33 0.20 0.00 1.57 -1.40 0.73 116.57 117.85 5r1r h LYS 560 Ca 0.08 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 5r1r h LYS 560 Cb 0.72 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.10 5r1r h LYS 560 CO 0.05 -0.22 -0.09 1.49 -0.57 0.00 0.00 179.45 180.11 5r1r h GLU 561 N -0.35 -0.25 0.00 3.15 4.81 -1.30 -3.38 114.58 117.25 5r1r h GLU 561 Ca 0.12 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 5r1r h GLU 561 Cb 0.53 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.97 5r1r h GLU 561 CO -0.40 -0.03 -0.01 1.04 -0.73 0.00 0.00 179.01 178.89 5r1r n GLN 562 N -5.12 2.27 0.00 1.92 6.02 -0.10 -5.11 117.38 117.27 5r1r n GLN 562 Ca -0.09 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 5r1r n GLN 562 Cb 0.19 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.50 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 -0.49 0.10 3.71 1.08 0.00 0.25 -4.99 105.19 104.86 5r1r n GLY 563 Ca 0.01 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.89 1.86 0.44 4.61 0.00 -1.26 -4.63 121.76 121.89 5r1r s ALA 564 Ca 0.00 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 5r1r s ALA 564 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 5r1r s ALA 564 CO 0.00 -2.25 1.43 0.00 0.00 0.00 0.00 175.76 174.94 5r1r n PRO 566 N -0.12 -0.08 -1.06 0.00 -0.02 -1.22 -0.03 135.00 132.47 5r1r n PRO 566 Ca 0.05 1.50 -0.21 0.00 -2.02 0.00 0.00 63.50 62.81 5r1r n PRO 566 Cb 0.42 -2.28 0.14 0.00 -0.02 0.00 0.00 33.50 31.75 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 -5.54 2.62 -0.06 6.00 8.01 -0.38 -4.57 117.44 123.51 5r1r n TRP 567 Ca 0.18 -1.77 0.11 0.00 -1.31 0.00 0.00 57.50 54.71 5r1r n TRP 567 Cb 0.57 -0.90 0.50 0.00 -2.01 0.00 0.00 31.31 29.47 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 0.97 0.42 -0.03 -5.99 3.57 -0.69 0.13 116.94 115.32 5r1r h PHE 568 Ca 0.54 0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.06 5r1r h PHE 568 Cb 2.37 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.97 5r1r h PHE 568 CO 1.34 0.21 0.19 -2.95 -2.23 0.00 0.00 178.31 174.87 5r1r h ASN 569 N 0.41 0.00 0.03 0.41 7.08 -1.83 -0.78 115.58 120.91 5r1r h ASN 569 Ca 0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 5r1r h ASN 569 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.71 5r1r h ASN 569 CO -0.07 0.00 -0.04 -0.62 -2.08 0.00 0.00 177.43 174.62 5r1r n GLU 570 N -3.10 1.46 -2.83 4.14 1.02 0.45 -4.89 120.64 116.88 5r1r n GLU 570 Ca -0.02 -0.79 -0.29 0.00 -0.02 0.00 0.00 57.16 56.05 5r1r n GLU 570 Cb 0.26 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.08 4.87 0.19 2.62 -4.23 -0.30 -1.50 115.64 115.22 5r1r s THR 571 Ca 0.37 0.35 0.28 0.00 -1.18 0.00 0.00 61.69 61.51 5r1r s THR 571 Cb 0.21 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.55 5r1r s THR 571 CO 0.37 -0.64 1.93 0.71 -0.54 0.00 0.00 174.62 176.45 5r1r h THR 572 N 0.75 0.38 -0.45 3.99 1.35 -0.66 -2.39 112.91 115.89 5r1r h THR 572 Ca -0.47 -0.81 0.03 0.00 -0.55 0.00 0.00 66.41 64.61 5r1r h THR 572 Cb 1.20 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.17 5r1r h THR 572 CO 0.63 0.13 0.25 1.88 -0.25 0.00 0.00 175.52 178.16 5r1r h TYR 573 N 0.00 0.46 -0.33 4.73 0.05 -1.70 -1.22 116.97 118.95 5r1r h TYR 573 Ca -0.00 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.87 5r1r h TYR 573 Cb 0.58 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 5r1r h TYR 573 CO 0.00 0.25 0.23 0.00 -1.05 0.00 0.00 178.16 177.59 5r1r h ALA 574 N 1.22 2.14 -0.34 3.88 0.00 -1.63 -1.25 119.26 123.28 5r1r h ALA 574 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 5r1r h ALA 574 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 5r1r h ALA 574 CO -0.11 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.55 5r1r n LYS 575 N -4.47 2.72 -1.15 0.00 5.02 -0.91 -4.80 118.16 114.57 5r1r n LYS 575 Ca 0.04 -1.61 -0.05 0.00 -2.02 0.00 0.00 58.31 54.67 5r1r n LYS 575 Cb 0.31 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.60 0.77 3.75 0.72 0.00 -0.47 -5.03 105.19 105.52 5r1r n GLY 576 Ca 0.14 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.13 5.15 0.25 -0.61 1.01 -0.51 -5.01 121.20 119.35 5r1r s ILE 577 Ca 0.00 0.90 0.11 0.00 0.00 0.00 0.00 60.65 61.66 5r1r s ILE 577 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 5r1r s ILE 577 CO 0.00 0.39 -0.20 -0.76 0.00 0.00 0.00 174.94 174.37 5r1r s LEU 578 N 0.21 2.55 0.25 2.97 1.43 -1.26 -3.80 118.68 121.02 5r1r s LEU 578 Ca 0.25 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 5r1r s LEU 578 Cb -0.15 -1.06 0.48 0.00 0.03 0.00 0.00 46.19 45.49 5r1r s LEU 578 CO 0.10 0.03 1.71 -0.65 0.23 0.00 0.00 176.35 177.77 5r1r h PRO 579 N 2.52 0.36 0.00 1.29 0.10 -1.94 0.72 132.00 135.05 5r1r h PRO 579 Ca -0.41 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.67 5r1r h PRO 579 Cb 1.24 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 32.26 5r1r h PRO 579 CO 0.58 0.24 0.04 0.44 0.10 0.00 0.00 178.00 179.39 5r1r n ILE 580 N -5.06 1.55 -0.03 4.15 -5.35 -1.26 -0.97 119.36 112.39 5r1r n ILE 580 Ca 0.15 0.59 -0.01 0.00 -0.27 0.00 0.00 62.75 63.21 5r1r n ILE 580 Cb 0.45 -1.59 -0.13 0.00 -1.74 0.00 0.00 39.64 36.63 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 -1.74 0.32 -0.32 7.28 8.00 0.25 -4.63 116.55 125.70 5r1r n ASP 581 Ca -0.00 0.14 0.03 0.00 0.71 0.00 0.00 54.79 55.67 5r1r n ASP 581 Cb 0.05 0.95 0.07 0.00 -0.02 0.00 0.00 41.12 42.17 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 -2.67 0.73 -0.91 -3.53 -2.24 -0.15 -5.00 114.28 100.51 5r1r n THR 582 Ca -0.17 -0.86 -0.31 0.00 -2.27 0.00 0.00 64.05 60.44 5r1r n THR 582 Cb 0.88 0.67 0.14 0.00 -2.10 0.00 0.00 70.33 69.92 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 -0.87 1.98 -0.19 4.78 -0.85 -1.05 -4.40 117.35 116.75 5r1r s TYR 583 Ca 0.11 1.70 -0.29 0.00 -0.52 0.00 0.00 57.07 58.07 5r1r s TYR 583 Cb 0.06 -3.23 -0.03 0.00 0.38 0.00 0.00 41.96 39.14 5r1r s TYR 583 CO 0.08 -2.43 1.63 0.21 -1.52 0.00 0.00 175.55 173.53 5r1r s LYS 584 N -4.75 3.86 0.30 -3.49 2.47 -1.26 -4.91 119.74 111.96 5r1r s LYS 584 Ca 0.65 1.78 0.01 0.00 -1.56 0.00 0.00 55.97 56.84 5r1r s LYS 584 Cb -0.21 -4.03 0.72 0.00 -1.46 0.00 0.00 37.83 32.85 5r1r s LYS 584 CO 0.57 -1.22 1.57 1.57 0.16 0.00 0.00 175.35 178.01 5r1r h LYS 585 N 10.57 0.01 -0.19 4.03 -0.00 -1.92 -2.28 116.57 126.78 5r1r h LYS 585 Ca -0.35 -0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.36 5r1r h LYS 585 Cb 1.16 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.38 5r1r h LYS 585 CO 0.99 0.01 0.42 -0.44 -0.00 0.00 0.00 179.45 180.42 5r1r h ASP 586 N 0.01 0.00 -0.60 7.07 5.19 -1.91 -1.23 116.42 124.96 5r1r h ASP 586 Ca 0.58 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 57.09 5r1r h ASP 586 Cb 1.17 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 5r1r h ASP 586 CO -0.92 0.00 0.41 -0.07 -3.12 0.00 0.00 179.24 175.54 5r1r h LEU 587 N 0.00 0.35 -1.00 1.55 3.38 -1.72 -1.73 115.31 116.15 5r1r h LEU 587 Ca 0.09 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.24 5r1r h LEU 587 Cb 0.92 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 5r1r h LEU 587 CO -0.00 0.21 0.61 0.44 0.09 0.00 0.00 178.44 179.78 5r1r h ASP 588 N 0.39 0.80 0.29 -0.43 3.32 -1.45 -0.42 116.42 118.92 5r1r h ASP 588 Ca 0.28 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.42 5r1r h ASP 588 Cb 0.58 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.07 5r1r h ASP 588 CO -0.08 0.32 0.00 0.35 -1.72 0.00 0.00 179.24 178.11 5r1r n THR 589 N -4.74 0.77 -1.31 0.35 -2.24 -0.65 -3.47 114.28 102.99 5r1r n THR 589 Ca 0.22 0.19 0.06 0.00 -2.27 0.00 0.00 64.05 62.25 5r1r n THR 589 Cb 0.52 -0.98 0.09 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.34 1.20 -3.33 2.28 -5.35 -0.17 -5.04 119.36 107.62 5r1r n ILE 590 Ca 0.05 -1.43 0.02 0.00 -0.27 0.00 0.00 62.75 61.13 5r1r n ILE 590 Cb 0.11 0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 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 -1.80 -2.90 -2.13 -1.28 0.00 -1.19 -4.79 121.76 107.67 5r1r s ALA 591 Ca 0.19 1.94 0.23 0.00 0.00 0.00 0.00 51.96 54.33 5r1r s ALA 591 Cb 0.17 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 21.24 5r1r s ALA 591 CO 0.02 -1.00 1.16 0.27 0.00 0.00 0.00 175.76 176.21 5r1r n ASN 592 N 4.91 2.05 -4.60 0.00 6.94 -1.26 -4.73 115.26 118.58 5r1r n ASN 592 Ca -0.08 -1.52 -0.53 0.00 -0.02 0.00 0.00 54.58 52.44 5r1r n ASN 592 Cb 0.53 0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 38.28 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 0.08 1.12 -2.93 -3.83 4.07 -1.26 -4.93 120.64 112.96 5r1r n GLU 593 Ca 0.10 0.41 -0.33 0.00 -0.06 0.00 0.00 57.16 57.27 5r1r n GLU 593 Cb 0.47 -2.05 -0.07 0.00 -0.06 0.00 0.00 31.44 29.74 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 0.66 4.20 0.27 5.31 0.04 -1.26 -4.99 135.00 139.23 5r1r s PRO 594 Ca 0.85 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 5r1r s PRO 594 Cb -0.97 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 5r1r s PRO 594 CO 0.48 0.09 1.53 -0.51 0.04 0.00 0.00 177.00 178.64 5r1r s LEU 595 N -2.91 4.36 0.00 -3.56 1.43 -1.26 -4.89 118.68 111.85 5r1r s LEU 595 Ca 0.57 2.82 0.20 0.00 -1.03 0.00 0.00 54.13 56.69 5r1r s LEU 595 Cb -0.11 -3.63 0.16 0.00 0.03 0.00 0.00 46.19 42.64 5r1r s LEU 595 CO 0.16 -0.83 1.15 1.41 0.23 0.00 0.00 176.35 178.47 5r1r n HIS 596 N 2.37 0.00 -4.37 0.29 8.25 -1.26 -5.00 115.22 115.49 5r1r n HIS 596 Ca 0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 5r1r n HIS 596 Cb 0.38 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.70 2.43 -0.95 4.41 2.02 -1.26 -5.06 117.35 117.24 5r1r s TYR 597 Ca 0.24 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.40 5r1r s TYR 597 Cb 0.17 -1.19 0.06 0.00 -0.40 0.00 0.00 41.96 40.60 5r1r s TYR 597 CO 0.26 0.52 1.36 0.34 -1.57 0.00 0.00 175.55 176.45 5r1r s ASP 598 N -2.80 6.45 0.11 2.29 -1.08 -1.26 -4.75 116.67 115.62 5r1r s ASP 598 Ca 0.23 -1.35 0.07 0.00 -0.52 0.00 0.00 52.55 50.98 5r1r s ASP 598 Cb -0.08 -2.54 -0.21 0.00 -1.46 0.00 0.00 42.92 38.63 5r1r s ASP 598 CO 0.12 -1.50 1.25 -0.50 0.52 0.00 0.00 175.17 175.06 5r1r h TRP 599 N 9.70 0.03 -0.34 -5.34 4.06 -1.98 -3.04 115.95 119.03 5r1r h TRP 599 Ca 0.10 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.93 5r1r h TRP 599 Cb 1.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.17 5r1r h TRP 599 CO 1.23 1.02 -0.15 0.93 -3.56 0.00 0.00 178.44 177.91 5r1r h GLU 600 N 0.00 0.70 0.30 0.49 4.39 -1.99 0.67 114.58 119.14 5r1r h GLU 600 Ca -0.03 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.38 5r1r h GLU 600 Cb 1.79 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.39 5r1r h GLU 600 CO 0.13 0.90 -0.34 0.00 -1.16 0.00 0.00 179.01 178.54 5r1r h ALA 601 N 0.79 -0.70 -0.91 3.43 0.00 -1.97 -1.67 119.26 118.23 5r1r h ALA 601 Ca 0.08 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.00 5r1r h ALA 601 Cb 0.68 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 5r1r h ALA 601 CO 0.05 -0.94 0.54 1.25 0.00 0.00 0.00 179.25 180.15 5r1r h LEU 602 N -0.68 0.77 -0.05 0.00 5.85 -1.40 0.41 115.31 120.20 5r1r h LEU 602 Ca -0.01 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 5r1r h LEU 602 Cb 0.63 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 5r1r h LEU 602 CO -0.09 0.41 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.09 5r1r h ARG 603 N 0.86 -0.33 -0.35 1.25 2.43 0.13 0.18 114.38 118.55 5r1r h ARG 603 Ca 0.45 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.64 5r1r h ARG 603 Cb 0.46 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 5r1r h ARG 603 CO -0.27 -0.22 0.19 0.93 -1.51 0.00 0.00 179.97 179.09 5r1r h GLU 604 N -0.34 0.48 -0.90 0.20 4.39 -0.71 -0.33 114.58 117.36 5r1r h GLU 604 Ca 0.08 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.82 5r1r h GLU 604 Cb 0.45 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 5r1r h GLU 604 CO -0.24 0.39 0.58 1.03 -1.16 0.00 0.00 179.01 179.61 5r1r h SER 605 N 0.44 0.82 0.19 1.42 0.87 -0.34 0.25 113.55 117.20 5r1r h SER 605 Ca 0.12 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 5r1r h SER 605 Cb 0.05 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 5r1r h SER 605 CO -0.02 0.49 -0.09 0.40 -0.53 0.00 0.00 176.83 177.08 5r1r h ILE 606 N 0.91 0.91 -0.59 2.23 2.04 -0.22 -1.52 117.51 121.27 5r1r h ILE 606 Ca 0.41 -0.82 0.12 0.00 1.00 0.00 0.00 64.86 65.57 5r1r h ILE 606 Cb 0.39 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.75 5r1r h ILE 606 CO -0.18 0.18 0.08 0.50 0.00 0.00 0.00 178.15 178.73 5r1r h LYS 607 N -0.68 0.20 0.00 2.37 3.64 -0.26 0.77 116.57 122.62 5r1r h LYS 607 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 5r1r h LYS 607 Cb 0.48 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 5r1r h LYS 607 CO 0.04 0.13 0.00 2.41 -2.27 0.00 0.00 179.45 179.76 5r1r n THR 608 N -5.18 0.00 0.53 1.00 -1.04 0.00 -4.42 114.28 105.17 5r1r n THR 608 Ca 0.09 1.31 0.12 0.00 -2.04 0.00 0.00 64.05 63.52 5r1r n THR 608 Cb 0.33 -2.31 0.15 0.00 -1.82 0.00 0.00 70.33 66.68 5r1r n THR 608 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 5r1r h HIS 609 N 0.00 0.00 -0.17 -1.42 3.86 -1.25 -3.51 115.15 112.66 5r1r h HIS 609 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 5r1r h HIS 609 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 5r1r h HIS 609 CO 0.19 0.00 -0.00 0.41 0.86 0.00 0.00 177.93 179.38 5r1r n GLY 610 N 1.32 -2.04 3.32 2.45 0.00 0.27 -4.45 105.19 106.06 5r1r n GLY 610 Ca 0.03 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 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 2.21 0.17 0.99 1.43 -1.26 -4.44 118.68 117.79 5r1r s LEU 611 Ca 0.00 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 5r1r s LEU 611 Cb 0.00 -1.41 0.09 0.00 0.03 0.00 0.00 46.19 44.90 5r1r s LEU 611 CO 0.00 0.28 1.79 -0.09 0.23 0.00 0.00 176.35 178.56 5r1r h ARG 612 N 5.80 0.48 -6.07 1.70 9.65 -1.72 -2.48 114.38 121.74 5r1r h ARG 612 Ca -0.37 -0.03 -0.68 0.00 -1.10 0.00 0.00 59.98 57.79 5r1r h ARG 612 Cb 1.16 -0.11 -0.23 0.00 -1.39 0.00 0.00 29.97 29.40 5r1r h ARG 612 CO 0.48 0.32 -0.75 -0.80 2.80 0.00 0.00 179.97 182.02 5r1r s ASN 613 N -5.51 4.21 0.43 -3.80 -0.87 -1.26 -2.77 114.94 105.37 5r1r s ASN 613 Ca -0.13 -0.17 0.23 0.00 -1.57 0.00 0.00 52.86 51.22 5r1r s ASN 613 Cb 0.13 -1.09 0.47 0.00 -0.02 0.00 0.00 41.25 40.74 5r1r s ASN 613 CO 0.73 0.31 1.64 0.28 -2.57 0.00 0.00 177.10 177.50 5r1r h SER 614 N 5.60 0.00 -4.11 -1.22 0.02 -1.33 -3.44 113.55 109.06 5r1r h SER 614 Ca -0.43 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.33 5r1r h SER 614 Cb 1.17 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.46 5r1r h SER 614 CO 0.52 0.11 -0.58 0.42 -1.14 0.00 0.00 176.83 176.16 5r1r s THR 615 N -3.26 0.03 0.00 -2.27 -4.23 -1.26 -4.87 115.64 99.78 5r1r s THR 615 Ca 0.05 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 5r1r s THR 615 Cb 0.06 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.68 5r1r s THR 615 CO 0.66 -0.12 0.00 0.18 -0.54 0.00 0.00 174.62 174.81 5r1r n LEU 616 N 2.59 0.00 -4.27 4.79 4.32 -1.17 -0.19 117.00 123.07 5r1r n LEU 616 Ca -0.15 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.59 5r1r n LEU 616 Cb 0.58 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.25 5r1r n LEU 616 CO 0.22 0.00 -0.52 -0.94 -1.22 0.00 0.00 177.39 174.93 5r1r s SER 617 N -1.39 2.54 -0.29 -1.43 1.04 -1.24 -1.09 113.70 111.83 5r1r s SER 617 Ca 0.00 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.69 5r1r s SER 617 Cb 0.00 -0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.07 5r1r s SER 617 CO 0.00 0.13 0.86 0.00 0.98 0.00 0.00 173.24 175.20 5r1r s ALA 618 N -0.94 -2.22 -0.68 5.32 0.00 -0.50 -1.92 121.76 120.81 5r1r s ALA 618 Ca 0.07 2.25 -0.16 0.00 0.00 0.00 0.00 51.96 54.13 5r1r s ALA 618 Cb -0.09 -1.71 0.16 0.00 0.00 0.00 0.00 23.12 21.47 5r1r s ALA 618 CO 0.03 -0.55 0.69 -0.51 0.00 0.00 0.00 175.76 175.41 5r1r s LEU 619 N 1.84 6.15 0.30 0.00 1.43 -0.67 -3.14 118.68 124.59 5r1r s LEU 619 Ca -0.08 -2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 50.93 5r1r s LEU 619 Cb -0.06 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 5r1r s LEU 619 CO -0.17 -0.82 0.54 -0.04 0.23 0.00 0.00 176.35 176.08 5r1r s MET 620 N 1.39 3.57 0.90 1.70 -1.94 -1.26 -0.63 119.30 123.03 5r1r s MET 620 Ca 0.12 -0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 53.85 5r1r s MET 620 Cb -0.20 -2.67 0.14 0.00 2.01 0.00 0.00 34.83 34.11 5r1r s MET 620 CO -0.02 0.21 1.19 -1.25 -0.01 0.00 0.00 175.02 175.14 5r1r s PRO 621 N -3.76 1.24 -0.38 2.03 0.04 -1.26 -4.74 135.00 128.17 5r1r s PRO 621 Ca 0.42 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 5r1r s PRO 621 Cb -0.10 -1.87 0.20 0.00 0.04 0.00 0.00 34.50 32.76 5r1r s PRO 621 CO 0.32 -2.08 0.96 -1.54 0.04 0.00 0.00 177.00 174.70 5r1r s SER 622 N -4.43 -0.67 0.11 6.66 1.04 -1.26 -4.93 113.70 110.22 5r1r s SER 622 Ca 0.66 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 56.24 5r1r s SER 622 Cb -0.11 0.87 -0.10 0.00 0.10 0.00 0.00 66.02 66.78 5r1r s SER 622 CO 0.52 -0.04 1.72 -0.08 0.98 0.00 0.00 173.24 176.33 5r1r h GLU 623 N 5.00 -0.02 0.55 4.02 4.57 -1.97 -2.37 114.58 124.35 5r1r h GLU 623 Ca 0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 5r1r h GLU 623 Cb 1.17 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.78 5r1r h GLU 623 CO -0.05 -0.02 -0.27 1.15 -1.18 0.00 0.00 179.01 178.65 5r1r h THR 624 N -0.03 0.11 -1.01 0.32 2.02 -1.99 -2.15 112.91 110.18 5r1r h THR 624 Ca 0.04 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 66.84 5r1r h THR 624 Cb 0.08 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 66.59 5r1r h THR 624 CO -0.08 0.02 0.65 0.77 0.37 0.00 0.00 175.52 177.25 5r1r h SER 625 N -1.15 1.03 -0.54 4.18 4.64 -1.87 -1.62 113.55 118.22 5r1r h SER 625 Ca -0.08 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 5r1r h SER 625 Cb 0.60 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 5r1r h SER 625 CO 0.12 0.64 0.33 0.28 -0.87 0.00 0.00 176.83 177.34 5r1r h SER 626 N 1.16 0.54 -0.55 4.97 0.02 -1.42 -2.54 113.55 115.73 5r1r h SER 626 Ca 0.44 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.48 5r1r h SER 626 Cb 0.21 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 5r1r h SER 626 CO -0.19 0.38 0.20 1.56 -1.14 0.00 0.00 176.83 177.64 5r1r h GLN 627 N 0.66 0.36 -1.00 3.45 4.20 -0.61 -0.79 115.11 121.37 5r1r h GLN 627 Ca 0.22 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.99 5r1r h GLN 627 Cb 0.01 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.64 5r1r h GLN 627 CO -0.09 0.24 0.64 0.82 -0.67 0.00 0.00 178.83 179.77 5r1r h ILE 628 N 0.37 1.02 -0.14 2.54 1.08 -1.02 -1.90 117.51 119.46 5r1r h ILE 628 Ca 0.27 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 5r1r h ILE 628 Cb 0.31 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 5r1r h ILE 628 CO -0.28 0.20 0.00 -1.20 -0.69 0.00 0.00 178.15 176.18 5r1r n SER 629 N -4.55 1.44 -3.44 1.72 7.64 -0.90 -4.67 113.62 110.86 5r1r n SER 629 Ca 0.17 -1.67 -0.14 0.00 1.01 0.00 0.00 58.87 58.24 5r1r n SER 629 Cb 0.25 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.17 -6.26 -4.10 6.43 5.15 -0.71 -5.00 115.26 110.94 5r1r n ASN 630 Ca 0.16 -0.56 -0.14 0.00 -0.60 0.00 0.00 54.58 53.44 5r1r n ASN 630 Cb 0.29 -3.53 -0.11 0.00 -0.53 0.00 0.00 39.78 35.90 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 -3.04 0.74 0.63 5.20 0.00 -0.37 -4.68 121.76 120.24 5r1r s ALA 631 Ca 0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 5r1r s ALA 631 Cb -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 5r1r s ALA 631 CO 0.83 -0.00 1.17 0.95 0.00 0.00 0.00 175.76 178.71 5r1r s THR 632 N -1.57 2.78 -0.15 0.00 -4.23 -1.26 -4.41 115.64 106.80 5r1r s THR 632 Ca -0.06 0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 5r1r s THR 632 Cb -0.09 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 5r1r s THR 632 CO 0.00 -0.16 1.03 0.20 -0.54 0.00 0.00 174.62 175.15 5r1r s ASN 633 N -1.97 7.19 0.00 3.99 0.02 -1.26 -1.36 114.94 121.55 5r1r s ASN 633 Ca 0.73 1.49 0.00 0.00 -1.02 0.00 0.00 52.86 54.07 5r1r s ASN 633 Cb -0.27 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.45 5r1r s ASN 633 CO 0.37 -0.53 0.00 0.61 0.02 0.00 0.00 177.10 177.57 5r1r n GLY 634 N 3.18 2.24 0.96 0.66 0.00 -1.26 -0.73 105.19 110.25 5r1r n GLY 634 Ca 0.10 0.22 0.11 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 0.22 -2.74 -0.61 -5.35 -1.26 -2.49 119.36 107.13 5r1r n ILE 635 Ca 0.00 -0.61 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 5r1r n ILE 635 Cb 0.00 1.24 -0.05 0.00 -1.74 0.00 0.00 39.64 39.10 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 -1.64 4.70 0.34 6.28 0.41 0.09 -4.53 118.70 124.35 5r1r s GLU 636 Ca 0.30 1.44 -0.29 0.00 -0.41 0.00 0.00 54.97 56.01 5r1r s GLU 636 Cb 0.20 -3.37 -0.11 0.00 -1.78 0.00 0.00 34.13 29.07 5r1r s GLU 636 CO 0.28 0.25 1.55 -0.35 -0.49 0.00 0.00 175.26 176.50 5r1r n PRO 637 N 2.66 2.70 -1.86 0.39 -0.04 -1.26 -4.23 135.00 133.37 5r1r n PRO 637 Ca 0.02 0.95 -0.37 0.00 -0.04 0.00 0.00 63.50 64.06 5r1r n PRO 637 Cb 0.49 -2.72 0.05 0.00 -0.04 0.00 0.00 33.50 31.28 5r1r n PRO 637 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 5r1r s PRO 638 N -1.28 2.92 0.11 0.54 0.04 -1.26 -4.42 135.00 131.65 5r1r s PRO 638 Ca 0.59 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.53 5r1r s PRO 638 Cb -0.48 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 5r1r s PRO 638 CO 0.56 -1.30 1.45 -0.09 0.04 0.00 0.00 177.00 177.66 5r1r h ARG 639 N 1.01 0.78 -3.56 4.56 2.43 -1.95 0.19 114.38 117.86 5r1r h ARG 639 Ca -0.51 -0.40 -0.13 0.00 -0.81 0.00 0.00 59.98 58.13 5r1r h ARG 639 Cb 1.31 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 5r1r h ARG 639 CO 0.55 1.03 0.03 0.20 -1.51 0.00 0.00 179.97 180.27 5r1r s GLY 640 N -3.70 0.87 0.33 2.80 0.00 -1.26 -4.33 107.32 102.03 5r1r s GLY 640 Ca -0.12 -1.09 0.15 0.00 0.00 0.00 0.00 44.72 43.66 5r1r s GLY 640 CO 0.84 -0.64 1.70 -0.97 0.00 0.00 0.00 173.10 174.04 5r1r h TYR 641 N 2.07 0.00 -3.23 1.90 0.05 -1.95 -3.42 116.97 112.38 5r1r h TYR 641 Ca -0.29 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.85 5r1r h TYR 641 Cb 1.25 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.64 5r1r h TYR 641 CO 1.32 0.47 -0.85 0.08 -1.05 0.00 0.00 178.16 178.13 5r1r s VAL 642 N -3.69 1.79 -0.02 -2.88 1.01 -1.26 -1.25 120.40 114.10 5r1r s VAL 642 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 5r1r s VAL 642 Cb 0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 5r1r s VAL 642 CO 0.72 0.50 0.03 -0.94 0.00 0.00 0.00 175.10 175.41 5r1r s SER 643 N 0.90 5.38 -0.06 3.32 1.04 -0.64 -4.92 113.70 118.72 5r1r s SER 643 Ca -0.07 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.50 5r1r s SER 643 Cb -0.15 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 5r1r s SER 643 CO -0.02 0.30 -0.18 -0.63 0.98 0.00 0.00 173.24 173.70 5r1r s ILE 644 N -1.08 2.75 0.06 -1.02 1.01 -1.26 -1.91 121.20 119.75 5r1r s ILE 644 Ca 0.19 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.07 5r1r s ILE 644 Cb -0.12 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 5r1r s ILE 644 CO 0.10 0.58 -0.16 -0.75 0.00 0.00 0.00 174.94 174.70 5r1r s LYS 645 N -0.49 0.99 0.20 2.79 2.47 0.35 -4.99 119.74 121.06 5r1r s LYS 645 Ca 0.06 -0.93 -0.04 0.00 -1.56 0.00 0.00 55.97 53.50 5r1r s LYS 645 Cb -0.12 -1.06 -0.05 0.00 -1.46 0.00 0.00 37.83 35.14 5r1r s LYS 645 CO 0.01 0.25 0.43 0.00 0.16 0.00 0.00 175.35 176.20 5r1r s ALA 646 N -1.05 3.76 0.37 3.13 0.00 -1.26 -0.63 121.76 126.07 5r1r s ALA 646 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 5r1r s ALA 646 Cb -0.09 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.93 5r1r s ALA 646 CO 0.02 0.49 0.66 0.45 0.00 0.00 0.00 175.76 177.38 5r1r s SER 647 N -2.84 0.42 0.16 0.00 0.15 -1.08 -4.85 113.70 105.66 5r1r s SER 647 Ca 0.41 -1.31 0.20 0.00 0.70 0.00 0.00 55.95 55.95 5r1r s SER 647 Cb -0.11 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 5r1r s SER 647 CO 0.27 -1.54 1.01 0.11 1.20 0.00 0.00 173.24 174.29 5r1r h LYS 648 N 2.04 0.00 -0.39 5.44 6.56 -2.03 -3.31 116.57 124.88 5r1r h LYS 648 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 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 0.40 0.15 0.00 -0.25 -2.06 0.00 0.00 179.45 177.69 5r1r n ASP 649 N -2.82 2.07 0.00 0.86 8.00 -1.26 -5.03 116.55 118.37 5r1r n ASP 649 Ca -0.04 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.45 5r1r n ASP 649 Cb 0.68 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 1.09 -0.65 3.69 0.44 0.00 -1.25 -4.92 105.19 103.59 5r1r n GLY 650 Ca 0.13 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.19 4.57 -0.29 -0.61 1.01 -1.26 -2.64 121.20 121.79 5r1r s ILE 651 Ca 0.00 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 62.39 5r1r s ILE 651 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 5r1r s ILE 651 CO 0.00 0.02 0.23 -0.76 0.00 0.00 0.00 174.94 174.42 5r1r s LEU 652 N 1.96 4.12 0.09 2.97 1.43 0.19 -4.84 118.68 124.60 5r1r s LEU 652 Ca 0.52 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 5r1r s LEU 652 Cb -0.21 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 5r1r s LEU 652 CO 0.21 -0.11 -0.04 -0.13 0.23 0.00 0.00 176.35 176.51 5r1r s ARG 653 N 1.80 2.40 -0.04 1.70 0.52 -1.26 -0.49 118.95 123.57 5r1r s ARG 653 Ca 0.08 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.37 5r1r s ARG 653 Cb -0.16 -2.46 0.03 0.00 0.52 0.00 0.00 34.95 32.89 5r1r s ARG 653 CO 0.11 0.53 0.08 -1.14 0.02 0.00 0.00 175.30 174.90 5r1r s GLN 654 N -2.24 -0.02 -0.06 3.54 0.74 -0.80 -4.58 119.66 116.24 5r1r s GLN 654 Ca 0.24 0.34 -0.19 0.00 0.05 0.00 0.00 55.36 55.80 5r1r s GLN 654 Cb -0.11 -0.34 -0.05 0.00 1.10 0.00 0.00 33.01 33.61 5r1r s GLN 654 CO 0.16 -0.25 0.53 0.08 -0.55 0.00 0.00 175.29 175.27 5r1r s VAL 655 N 1.68 5.05 0.32 1.34 1.01 -1.26 -1.62 120.40 126.92 5r1r s VAL 655 Ca -0.02 1.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 5r1r s VAL 655 Cb -0.12 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 5r1r s VAL 655 CO -0.04 0.39 0.89 1.33 0.00 0.00 0.00 175.10 177.67 5r1r n VAL 656 N 3.10 2.04 -1.59 2.92 0.24 -0.38 -4.81 118.33 119.84 5r1r n VAL 656 Ca -0.07 -0.50 -0.50 0.00 -2.04 0.00 0.00 64.34 61.22 5r1r n VAL 656 Cb 0.51 -0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.63 1.25 -3.94 7.34 -0.02 -1.26 -2.58 135.00 136.42 5r1r n PRO 657 Ca 0.11 0.45 -0.28 0.00 -2.02 0.00 0.00 63.50 61.76 5r1r n PRO 657 Cb 0.34 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.43 -2.46 -0.12 2.55 2.03 -1.26 -4.85 116.55 114.87 5r1r n ASP 658 Ca 0.17 -0.90 -0.06 0.00 0.52 0.00 0.00 54.79 54.52 5r1r n ASP 658 Cb 0.22 -3.48 0.02 0.00 -0.72 0.00 0.00 41.12 37.16 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 -1.86 0.33 -0.82 -0.67 3.20 -1.85 0.59 116.97 115.89 5r1r h TYR 659 Ca -0.60 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.41 5r1r h TYR 659 Cb 1.37 -0.09 -0.13 0.00 1.54 0.00 0.00 36.73 39.42 5r1r h TYR 659 CO 0.54 0.16 -0.34 -1.91 -1.64 0.00 0.00 178.16 174.97 5r1r n GLU 660 N -4.95 -0.21 0.03 1.82 2.13 -1.26 -1.29 120.64 116.91 5r1r n GLU 660 Ca 0.02 1.27 0.11 0.00 0.66 0.00 0.00 57.16 59.22 5r1r n GLU 660 Cb 0.11 -1.88 -0.11 0.00 0.27 0.00 0.00 31.44 29.83 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 -5.20 0.30 -0.45 4.31 8.25 -1.03 -4.58 115.22 116.82 5r1r n HIS 661 Ca 0.08 0.09 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 5r1r n HIS 661 Cb 0.32 -0.63 0.14 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.36 2.84 -0.27 2.41 4.77 0.17 -4.74 117.00 119.82 5r1r n LEU 662 Ca -0.02 -2.39 0.05 0.00 -0.03 0.00 0.00 56.01 53.61 5r1r n LEU 662 Cb 0.56 -0.27 0.18 0.00 -2.33 0.00 0.00 43.42 41.56 5r1r n LEU 662 CO 0.44 0.66 1.07 1.12 -1.33 0.00 0.00 177.39 179.35 5r1r h HIS 663 N 1.19 0.66 0.00 -1.77 2.07 -1.39 0.42 115.15 116.33 5r1r h HIS 663 Ca 0.00 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.53 5r1r h HIS 663 Cb 0.88 -0.18 -0.00 0.00 2.57 0.00 0.00 27.41 30.68 5r1r h HIS 663 CO 0.20 0.17 -0.12 -0.44 -3.07 0.00 0.00 177.93 174.68 5r1r h ASP 664 N 0.58 0.00 0.39 3.10 3.32 -1.87 -3.19 116.42 118.74 5r1r h ASP 664 Ca 0.41 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.25 5r1r h ASP 664 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 5r1r h ASP 664 CO -0.34 0.12 -0.88 0.00 -1.72 0.00 0.00 179.24 176.42 5r1r h ALA 665 N 1.88 0.45 -2.76 3.45 0.00 -1.25 -3.45 119.26 117.59 5r1r h ALA 665 Ca -0.00 -0.69 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 5r1r h ALA 665 Cb 0.85 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 18.72 5r1r h ALA 665 CO 0.02 0.83 0.44 0.71 0.00 0.00 0.00 179.25 181.25 5r1r s TYR 666 N -3.32 2.34 -0.30 0.00 2.02 -0.78 -4.67 117.35 112.64 5r1r s TYR 666 Ca -0.05 1.54 0.03 0.00 -0.37 0.00 0.00 57.07 58.22 5r1r s TYR 666 Cb 0.09 -3.44 0.08 0.00 -0.40 0.00 0.00 41.96 38.29 5r1r s TYR 666 CO 0.85 -2.24 -0.03 -2.00 -1.57 0.00 0.00 175.55 170.56 5r1r s GLU 667 N -3.54 1.90 0.77 -0.62 2.12 -1.26 -5.03 118.70 113.03 5r1r s GLU 667 Ca 0.76 -1.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.38 5r1r s GLU 667 Cb -0.29 -3.05 0.06 0.00 0.26 0.00 0.00 34.13 31.10 5r1r s GLU 667 CO 0.37 -0.75 1.11 -0.51 -0.54 0.00 0.00 175.26 174.94 5r1r s LEU 668 N 1.02 3.09 0.20 2.70 1.43 -1.26 -4.64 118.68 121.22 5r1r s LEU 668 Ca 0.00 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.90 5r1r s LEU 668 Cb -0.20 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 41.69 5r1r s LEU 668 CO -0.06 -2.10 1.65 0.25 0.23 0.00 0.00 176.35 176.31 5r1r h LEU 669 N -0.95 -0.43 -0.60 1.79 5.85 -0.80 -0.15 115.31 120.02 5r1r h LEU 669 Ca -0.44 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.43 5r1r h LEU 669 Cb 1.24 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.58 5r1r h LEU 669 CO 0.51 -0.16 0.00 0.79 -0.34 0.00 0.00 178.44 179.24 5r1r n TRP 670 N -5.35 0.15 0.23 1.25 7.02 -1.26 -2.93 117.44 116.55 5r1r n TRP 670 Ca 0.06 -0.07 0.12 0.00 -1.02 0.00 0.00 57.50 56.58 5r1r n TRP 670 Cb 0.30 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.28 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 1.11 0.00 -6.53 -0.99 5.08 -1.37 -3.45 114.58 108.44 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 0.25 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.52 5r1r h GLU 671 CO 0.00 0.00 0.87 -1.64 -1.00 0.00 0.00 179.01 177.24 5r1r s MET 672 N -3.28 4.24 0.59 2.33 -1.94 -1.15 -4.87 119.30 115.22 5r1r s MET 672 Ca 0.03 2.25 0.37 0.00 -1.71 0.00 0.00 55.69 56.63 5r1r s MET 672 Cb 0.09 -3.34 1.79 0.00 2.01 0.00 0.00 34.83 35.38 5r1r s MET 672 CO 0.74 -0.60 2.15 -1.35 -0.01 0.00 0.00 175.02 175.95 5r1r h PRO 673 N 7.32 0.00 0.00 2.03 0.11 -1.91 -3.47 132.00 136.09 5r1r h PRO 673 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.91 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 5r1r n GLY 674 N -0.52 0.92 0.36 -0.55 0.00 -1.26 -5.06 105.19 99.07 5r1r n GLY 674 Ca -0.01 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.20 1.62 0.20 1.61 3.02 -1.26 -4.59 115.26 115.66 5r1r n ASN 675 Ca 0.00 -1.26 -0.15 0.00 -0.03 0.00 0.00 54.58 53.14 5r1r n ASN 675 Cb 0.00 0.47 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.75 -0.57 -0.46 6.41 3.32 -1.96 -0.86 116.42 124.06 5r1r h ASP 676 Ca 0.00 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.14 5r1r h ASP 676 Cb 0.66 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 5r1r h ASP 676 CO 0.00 -0.34 -0.56 1.23 -1.72 0.00 0.00 179.24 177.85 5r1r h GLY 677 N -0.52 -1.01 0.82 2.75 0.00 -1.76 -0.63 103.07 102.73 5r1r h GLY 677 Ca -0.02 0.73 0.01 0.00 0.00 0.00 0.00 47.33 48.05 5r1r h GLY 677 CO 0.00 -0.11 -0.05 -1.82 0.00 0.00 0.00 176.54 174.57 5r1r h TYR 678 N -0.36 -0.12 -0.98 5.60 5.03 -1.47 -1.86 116.97 122.81 5r1r h TYR 678 Ca 0.08 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.52 5r1r h TYR 678 Cb 0.57 0.06 -0.08 0.00 1.55 0.00 0.00 36.73 38.83 5r1r h TYR 678 CO -0.76 -0.08 0.61 -0.07 -1.32 0.00 0.00 178.16 176.54 5r1r h LEU 679 N -0.07 0.88 -0.16 2.82 3.38 -0.73 0.14 115.31 121.58 5r1r h LEU 679 Ca 0.03 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.09 5r1r h LEU 679 Cb 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 5r1r h LEU 679 CO -0.08 0.47 -0.09 1.56 0.09 0.00 0.00 178.44 180.39 5r1r h GLN 680 N 0.96 -0.08 -0.74 1.13 4.20 -0.66 0.17 115.11 120.09 5r1r h GLN 680 Ca 0.49 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.25 5r1r h GLN 680 Cb 0.49 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 5r1r h GLN 680 CO -0.27 -0.05 0.44 -0.07 -0.67 0.00 0.00 178.83 178.21 5r1r h LEU 681 N -0.08 0.69 -0.16 1.46 3.38 -0.02 -0.42 115.31 120.17 5r1r h LEU 681 Ca 0.09 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.10 5r1r h LEU 681 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 5r1r h LEU 681 CO -0.21 0.45 0.04 0.58 0.09 0.00 0.00 178.44 179.40 5r1r h VAL 682 N 0.83 0.95 -0.54 1.22 2.07 -0.21 -0.75 116.25 119.81 5r1r h VAL 682 Ca 0.32 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.91 5r1r h VAL 682 Cb 0.14 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 5r1r h VAL 682 CO -0.16 0.02 0.05 1.23 0.02 0.00 0.00 177.57 178.73 5r1r h GLY 683 N 0.11 0.61 0.93 2.17 0.00 0.24 0.35 103.07 107.49 5r1r h GLY 683 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 5r1r h GLY 683 CO -0.08 -0.14 0.15 -2.22 0.00 0.00 0.00 176.54 174.25 5r1r h ILE 684 N 0.17 1.18 -0.92 2.60 2.04 -0.79 -2.36 117.51 119.42 5r1r h ILE 684 Ca 0.28 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.60 5r1r h ILE 684 Cb 0.42 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 5r1r h ILE 684 CO -0.42 0.20 0.61 0.24 0.00 0.00 0.00 178.15 178.78 5r1r h MET 685 N 0.42 1.21 0.00 2.37 2.86 -0.15 -1.86 114.93 119.78 5r1r h MET 685 Ca 0.12 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 5r1r h MET 685 Cb 0.17 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 5r1r h MET 685 CO -0.01 0.80 -0.01 0.37 1.06 0.00 0.00 176.91 179.12 5r1r h GLN 686 N 1.24 0.00 -0.41 1.72 5.75 0.17 -2.04 115.11 121.55 5r1r h GLN 686 Ca 0.34 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.92 5r1r h GLN 686 Cb -0.13 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.35 5r1r h GLN 686 CO -0.08 0.01 -0.05 -0.22 -2.65 0.00 0.00 178.83 175.84 5r1r h LYS 687 N 0.00 0.05 0.00 1.69 3.64 -0.98 -3.00 116.57 117.97 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 0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 5r1r h LYS 687 CO 0.00 0.03 -1.00 1.19 -2.27 0.00 0.00 179.45 177.40 5r1r n PHE 688 N -5.25 0.34 -2.76 1.91 3.72 -0.80 -4.46 117.46 110.16 5r1r n PHE 688 Ca 0.03 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.12 5r1r n PHE 688 Cb 0.22 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 38.22 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 -3.21 4.60 0.17 4.37 -1.09 -0.99 -4.80 121.20 120.24 5r1r s ILE 689 Ca 0.03 2.02 -0.11 0.00 -2.23 0.00 0.00 60.65 60.36 5r1r s ILE 689 Cb 0.14 -4.30 0.06 0.00 -1.58 0.00 0.00 42.46 36.78 5r1r s ILE 689 CO 0.79 0.29 1.66 0.44 -1.23 0.00 0.00 174.94 176.90 5r1r h ASP 690 N 5.83 0.89 0.00 3.58 3.32 -1.88 -3.44 116.42 124.72 5r1r h ASP 690 Ca -0.43 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.37 5r1r h ASP 690 Cb 1.21 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.52 5r1r h ASP 690 CO 0.72 0.92 0.00 0.00 -1.72 0.00 0.00 179.24 179.16 5r1r n GLN 691 N -4.35 0.00 -3.77 3.56 6.02 -0.81 -4.38 117.38 113.65 5r1r n GLN 691 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 5r1r n GLN 691 Cb 0.26 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.47 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 2.00 -4.02 1.08 2.88 -0.47 -4.91 113.62 110.18 5r1r n SER 692 Ca 0.00 -2.54 -0.21 0.00 -1.33 0.00 0.00 58.87 54.79 5r1r n SER 692 Cb 0.00 0.50 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.46 0.87 -1.14 2.46 1.01 -1.26 -1.67 121.20 119.00 5r1r s ILE 693 Ca 0.08 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 5r1r s ILE 693 Cb 0.00 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 5r1r s ILE 693 CO 0.05 0.27 1.82 -0.44 0.00 0.00 0.00 174.94 176.64 5r1r s SER 694 N 0.14 5.76 -0.03 3.58 0.01 0.20 -4.66 113.70 118.69 5r1r s SER 694 Ca -0.03 -1.68 -0.10 0.00 1.31 0.00 0.00 55.95 55.46 5r1r s SER 694 Cb -0.09 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 5r1r s SER 694 CO 0.01 -2.27 0.28 0.00 0.41 0.00 0.00 173.24 171.66 5r1r s ALA 695 N 8.14 3.80 0.16 1.44 0.00 -1.26 -4.85 121.76 129.18 5r1r s ALA 695 Ca 0.62 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.16 5r1r s ALA 695 Cb -0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 5r1r s ALA 695 CO 0.06 0.58 0.09 -0.80 0.00 0.00 0.00 175.76 175.69 5r1r s ASN 696 N -1.29 5.33 -0.08 0.00 0.02 -1.26 0.13 114.94 117.78 5r1r s ASN 696 Ca 0.23 -0.18 0.02 0.00 -1.02 0.00 0.00 52.86 51.90 5r1r s ASN 696 Cb -0.14 -1.34 -0.02 0.00 0.02 0.00 0.00 41.25 39.77 5r1r s ASN 696 CO 0.11 0.09 -0.11 0.42 0.02 0.00 0.00 177.10 177.63 5r1r s THR 697 N -1.69 3.31 -0.03 1.60 -4.23 -0.58 -4.96 115.64 109.06 5r1r s THR 697 Ca 0.30 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 5r1r s THR 697 Cb -0.10 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 5r1r s THR 697 CO 0.22 0.57 -0.16 0.20 -0.54 0.00 0.00 174.62 174.91 5r1r s ASN 698 N -0.46 2.00 -0.02 3.99 -0.87 -1.26 -1.17 114.94 117.15 5r1r s ASN 698 Ca 0.06 -0.32 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 5r1r s ASN 698 Cb -0.12 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.25 40.63 5r1r s ASN 698 CO 0.02 0.15 -0.09 -0.31 -2.57 0.00 0.00 177.10 174.31 5r1r s TYR 699 N -0.03 0.85 -0.23 2.20 2.02 0.02 -4.69 117.35 117.49 5r1r s TYR 699 Ca -0.02 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 5r1r s TYR 699 Cb -0.10 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.89 5r1r s TYR 699 CO 0.01 -0.07 -0.09 0.34 -1.57 0.00 0.00 175.55 174.17 5r1r s ASP 700 N 0.06 4.07 0.39 2.29 -1.08 -1.26 -2.08 116.67 119.07 5r1r s ASP 700 Ca -0.01 -0.85 0.06 0.00 -0.52 0.00 0.00 52.55 51.24 5r1r s ASP 700 Cb -0.07 -1.62 0.81 0.00 -1.46 0.00 0.00 42.92 40.59 5r1r s ASP 700 CO 0.00 -0.10 2.04 -0.65 0.52 0.00 0.00 175.17 176.98 5r1r h PRO 701 N 7.98 0.62 -1.01 4.34 0.11 -1.86 -1.57 132.00 140.59 5r1r h PRO 701 Ca -0.35 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 65.98 5r1r h PRO 701 Cb 1.11 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 5r1r h PRO 701 CO 0.58 0.41 0.66 0.77 -0.21 0.00 0.00 178.00 180.21 5r1r h SER 702 N 0.63 0.41 0.26 -2.05 0.02 -1.92 0.04 113.55 110.94 5r1r h SER 702 Ca 0.19 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 5r1r h SER 702 Cb -0.01 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 5r1r h SER 702 CO -0.04 0.10 0.00 0.54 -1.14 0.00 0.00 176.83 176.29 5r1r n ARG 703 N -4.56 0.42 -5.06 3.45 1.74 -0.59 -4.82 116.66 107.23 5r1r n ARG 703 Ca 0.24 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 57.08 5r1r n ARG 703 Cb 0.85 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.64 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 -2.38 2.29 0.15 -1.55 0.40 0.00 -5.08 117.98 111.79 5r1r s PHE 704 Ca 0.24 -0.42 -0.34 0.00 -0.60 0.00 0.00 56.93 55.81 5r1r s PHE 704 Cb 0.14 -1.41 -0.14 0.00 0.51 0.00 0.00 43.02 42.12 5r1r s PHE 704 CO 0.29 0.05 1.60 -0.35 0.70 0.00 0.00 175.22 177.52 5r1r n PRO 705 N 2.06 2.18 -1.41 0.24 -0.04 -1.26 -0.53 135.00 136.24 5r1r n PRO 705 Ca -0.16 0.79 -0.14 0.00 -0.04 0.00 0.00 63.50 63.94 5r1r n PRO 705 Cb 0.52 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 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 3.66 -4.85 -1.93 3.54 7.64 -1.26 -3.09 113.62 117.32 5r1r n SER 706 Ca 0.17 0.35 -0.19 0.00 1.01 0.00 0.00 58.87 60.21 5r1r n SER 706 Cb 0.29 -3.59 -0.05 0.00 -1.01 0.00 0.00 64.21 59.85 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 -1.04 0.77 3.21 0.23 0.00 0.31 -4.98 105.19 103.69 5r1r n GLY 707 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.24 3.04 -0.13 1.61 -2.85 -1.18 -4.77 119.74 111.22 5r1r s LYS 708 Ca 0.00 -0.87 -0.29 0.00 -1.00 0.00 0.00 55.97 53.80 5r1r s LYS 708 Cb 0.00 -2.33 -0.02 0.00 -2.06 0.00 0.00 37.83 33.43 5r1r s LYS 708 CO 0.00 0.13 1.19 0.08 0.10 0.00 0.00 175.35 176.86 5r1r s VAL 709 N 0.45 4.36 0.33 1.79 1.01 -1.26 -4.60 120.40 122.48 5r1r s VAL 709 Ca -0.16 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 5r1r s VAL 709 Cb -0.17 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 5r1r s VAL 709 CO 0.06 -0.08 1.33 -2.16 0.00 0.00 0.00 175.10 174.25 5r1r s PRO 710 N 2.87 4.33 0.50 2.72 0.04 -1.26 -4.90 135.00 139.29 5r1r s PRO 710 Ca 0.53 2.26 0.22 0.00 0.04 0.00 0.00 61.00 64.05 5r1r s PRO 710 Cb -0.22 -3.06 1.31 0.00 0.04 0.00 0.00 34.50 32.57 5r1r s PRO 710 CO 0.17 -0.23 2.06 1.98 0.04 0.00 0.00 177.00 181.02 5r1r h MET 711 N 3.39 0.00 -0.19 4.56 1.85 -1.99 -1.39 114.93 121.16 5r1r h MET 711 Ca -0.49 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.60 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 0.66 0.13 0.11 0.37 -0.40 0.00 0.00 176.91 177.78 5r1r h GLN 712 N 0.00 0.23 -0.46 0.39 5.75 -1.99 -1.19 115.11 117.84 5r1r h GLN 712 Ca -0.00 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 5r1r h GLN 712 Cb 0.28 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 5r1r h GLN 712 CO 0.02 0.15 0.16 0.37 -2.65 0.00 0.00 178.83 176.87 5r1r h GLN 713 N 0.24 0.71 -0.50 1.69 5.75 -1.65 0.87 115.11 122.21 5r1r h GLN 713 Ca 0.07 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 5r1r h GLN 713 Cb -0.02 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.37 5r1r h GLN 713 CO -0.02 0.67 0.20 -0.07 -2.65 0.00 0.00 178.83 176.95 5r1r h LEU 714 N 0.61 0.22 -0.49 -2.39 3.38 -1.27 0.68 115.31 116.05 5r1r h LEU 714 Ca 0.15 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 5r1r h LEU 714 Cb 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 5r1r h LEU 714 CO -0.01 0.16 -0.55 -0.07 0.09 0.00 0.00 178.44 178.06 5r1r h LEU 715 N 0.39 0.66 -0.74 1.67 3.38 -0.98 -2.22 115.31 117.47 5r1r h LEU 715 Ca 0.24 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 5r1r h LEU 715 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 5r1r h LEU 715 CO -0.23 1.08 0.37 0.50 0.09 0.00 0.00 178.44 180.25 5r1r h LYS 716 N 0.46 1.06 -0.47 1.13 1.63 -0.12 0.46 116.57 120.73 5r1r h LYS 716 Ca 0.01 -0.15 -0.10 0.00 -0.85 0.00 0.00 60.65 59.56 5r1r h LYS 716 Cb 1.10 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 5r1r h LYS 716 CO 0.11 0.82 -0.12 -0.44 -3.45 0.00 0.00 179.45 176.37 5r1r h ASP 717 N 1.04 0.86 -0.00 4.20 3.32 -0.82 0.99 116.42 126.01 5r1r h ASP 717 Ca 0.26 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.03 5r1r h ASP 717 Cb 0.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 5r1r h ASP 717 CO -0.03 0.99 0.00 0.25 -1.72 0.00 0.00 179.24 178.73 5r1r h LEU 718 N 0.78 0.00 -0.14 1.55 5.85 -0.81 -0.03 115.31 122.51 5r1r h LEU 718 Ca 0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 5r1r h LEU 718 Cb 0.63 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 5r1r h LEU 718 CO 0.04 0.01 0.06 -0.07 -0.34 0.00 0.00 178.44 178.14 5r1r h LEU 719 N -0.00 0.19 -0.58 2.25 3.38 -0.67 -1.40 115.31 118.47 5r1r h LEU 719 Ca 0.00 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.94 5r1r h LEU 719 Cb 0.01 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.60 5r1r h LEU 719 CO -0.00 0.28 -0.19 0.74 0.09 0.00 0.00 178.44 179.36 5r1r h THR 720 N 0.08 0.35 -0.11 0.22 2.02 -0.59 0.34 112.91 115.22 5r1r h THR 720 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.27 5r1r h THR 720 Cb 0.15 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 5r1r h THR 720 CO -0.00 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.69 5r1r h ALA 721 N 1.45 -0.16 -0.54 6.16 0.00 -0.45 -2.38 119.26 123.33 5r1r h ALA 721 Ca 0.27 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.23 5r1r h ALA 721 Cb 0.47 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 5r1r h ALA 721 CO -0.62 -0.66 0.36 -0.92 0.00 0.00 0.00 179.25 177.41 5r1r h TYR 722 N -0.26 0.68 -0.56 0.00 5.03 0.05 -1.65 116.97 120.26 5r1r h TYR 722 Ca 0.09 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.52 5r1r h TYR 722 Cb 0.40 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 5r1r h TYR 722 CO -0.30 0.43 0.38 -0.22 -1.32 0.00 0.00 178.16 177.13 5r1r h LYS 723 N 0.74 0.32 -0.79 1.82 3.64 0.02 -1.73 116.57 120.59 5r1r h LYS 723 Ca 0.20 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.28 5r1r h LYS 723 Cb -0.08 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 31.50 5r1r h LYS 723 CO -0.04 0.21 0.35 1.19 -2.27 0.00 0.00 179.45 178.89 5r1r n PHE 724 N -4.46 2.59 -1.16 1.91 3.72 -0.93 -4.63 117.46 114.49 5r1r n PHE 724 Ca 0.09 -1.34 -0.05 0.00 -0.05 0.00 0.00 57.45 56.10 5r1r n PHE 724 Cb 0.39 -0.74 -0.02 0.00 -0.94 0.00 0.00 39.48 38.17 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 -0.36 0.75 3.70 1.37 0.00 -0.65 -4.47 105.19 105.53 5r1r n GLY 725 Ca 0.45 -0.33 -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 0.14 0.00 0.00 0.00 173.32 173.46 5r1r s VAL 726 N -2.00 2.41 -0.01 1.61 1.01 -0.64 -4.92 120.40 117.86 5r1r s VAL 726 Ca 0.00 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 5r1r s VAL 726 Cb 0.00 -3.01 -0.24 0.00 0.00 0.00 0.00 36.38 33.13 5r1r s VAL 726 CO 0.00 0.00 1.06 0.11 0.00 0.00 0.00 175.10 176.27 5r1r h LYS 727 N 8.34 0.34 -4.89 2.72 1.57 -1.89 -3.43 116.57 119.33 5r1r h LYS 727 Ca -0.46 -0.38 -0.33 0.00 -1.87 0.00 0.00 60.65 57.61 5r1r h LYS 727 Cb 1.22 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 5r1r h LYS 727 CO 0.95 1.07 -0.64 0.95 -0.57 0.00 0.00 179.45 181.21 5r1r s THR 728 N -3.11 0.71 -0.06 -0.16 -4.23 -1.26 0.36 115.64 107.88 5r1r s THR 728 Ca -0.14 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.35 5r1r s THR 728 Cb 0.03 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.55 5r1r s THR 728 CO 0.80 -0.28 0.06 -0.76 -0.54 0.00 0.00 174.62 173.90 5r1r s LEU 729 N -3.25 0.24 0.00 4.79 1.43 -0.71 -4.48 118.68 116.69 5r1r s LEU 729 Ca 0.30 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 5r1r s LEU 729 Cb 0.07 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.09 5r1r s LEU 729 CO 0.08 -0.26 0.00 0.00 0.23 0.00 0.00 176.35 176.40 5r1r n TYR 730 N 5.27 0.00 -1.38 0.29 9.36 0.34 -2.12 117.16 128.93 5r1r n TYR 730 Ca -0.04 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 -1.14 -4.20 2.98 4.01 -1.26 -4.72 117.16 112.83 5r1r n TYR 731 Ca 0.00 0.41 -0.34 0.00 -0.16 0.00 0.00 57.90 57.81 5r1r n TYR 731 Cb 0.00 -1.89 -0.15 0.00 -0.31 0.00 0.00 39.34 36.99 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 -2.09 3.20 -0.11 -0.72 0.74 -1.03 -1.52 119.66 118.13 5r1r s GLN 732 Ca 0.66 -0.74 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 5r1r s GLN 732 Cb -0.42 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 5r1r s GLN 732 CO 0.58 -0.12 0.08 -0.80 -0.55 0.00 0.00 175.29 174.47 5r1r s ASN 733 N 1.17 5.85 -0.06 6.67 0.01 -0.31 -4.54 114.94 123.74 5r1r s ASN 733 Ca 0.01 0.31 0.04 0.00 -0.71 0.00 0.00 52.86 52.52 5r1r s ASN 733 Cb -0.14 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.72 5r1r s ASN 733 CO -0.05 0.39 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.86 5r1r s THR 734 N -0.91 1.46 -5.00 1.60 2.01 -1.26 -0.80 115.64 112.74 5r1r s THR 734 Ca 0.14 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.43 5r1r s THR 734 Cb -0.12 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.12 5r1r s THR 734 CO 0.03 0.42 0.00 0.54 -0.69 0.00 0.00 174.62 174.92 5r1r n ARG 735 N 3.33 -0.66 0.00 4.92 1.74 -0.88 -5.00 116.66 120.11 5r1r n ARG 735 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 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 3.00 0.54 -2.69 0.55 5.68 -1.26 -4.13 116.55 118.23 5r1r n ASP 736 Ca 0.00 -1.23 -0.04 0.00 -0.50 0.00 0.00 54.79 53.02 5r1r n ASP 736 Cb 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.40 0.00 6.12 0.00 -1.26 -4.92 105.19 103.61 5r1r n GLY 737 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.02 5r1r n GLY 737 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32