#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smp h GLY 5 N 0.00 0.00 1.17 3.38 0.00 -1.98 -3.04 103.07 102.59 1smp h GLY 5 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1smp h GLY 5 CO 0.00 0.00 0.09 -1.82 0.00 0.00 0.00 176.54 174.81 1smp h TYR 6 N 0.00 1.08 -0.49 5.60 3.20 -1.98 -2.86 116.97 121.53 1smp h TYR 6 Ca -0.00 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.76 1smp h TYR 6 Cb 0.78 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1smp h TYR 6 CO 0.00 0.92 0.26 -0.44 -1.64 0.00 0.00 178.16 177.25 1smp h ASP 7 N 0.96 0.39 -0.34 -2.11 3.32 -1.97 -0.37 116.42 116.30 1smp h ASP 7 Ca 0.19 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1smp h ASP 7 Cb 0.42 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1smp h ASP 7 CO 0.01 0.27 0.04 0.00 -1.72 0.00 0.00 179.24 177.84 1smp h ALA 8 N 1.25 0.33 -0.69 3.45 0.00 -1.59 0.22 119.26 122.23 1smp h ALA 8 Ca 0.21 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1smp h ALA 8 Cb 0.09 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1smp h ALA 8 CO -0.13 -0.37 0.46 0.28 0.00 0.00 0.00 179.25 179.49 1smp h VAL 9 N 0.14 1.18 -0.47 0.00 2.07 -1.23 -2.33 116.25 115.61 1smp h VAL 9 Ca 0.16 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1smp h VAL 9 Cb 0.20 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1smp h VAL 9 CO -0.24 0.17 0.24 -0.78 0.02 0.00 0.00 177.57 176.99 1smp h ASP 10 N 0.94 0.60 -0.07 0.57 3.58 -0.09 -1.57 116.42 120.37 1smp h ASP 10 Ca 0.25 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.62 1smp h ASP 10 Cb -0.11 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1smp h ASP 10 CO -0.05 0.54 -0.06 0.44 -2.88 0.00 0.00 179.24 177.22 1smp h ASP 11 N 0.62 -0.19 -0.16 2.28 3.32 -0.73 -2.64 116.42 118.91 1smp h ASP 11 Ca 0.16 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1smp h ASP 11 Cb 0.08 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1smp h ASP 11 CO -0.02 -0.09 0.07 0.25 -1.72 0.00 0.00 179.24 177.73 1smp h LEU 12 N -0.08 0.26 -0.14 1.55 5.85 -1.20 -1.84 115.31 119.73 1smp h LEU 12 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1smp h LEU 12 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1smp h LEU 12 CO -0.12 0.26 0.00 0.18 -0.34 0.00 0.00 178.44 178.42 1smp n LEU 13 N -4.43 0.51 -0.42 2.25 4.77 -0.61 -3.17 117.00 115.90 1smp n LEU 13 Ca 0.00 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 1smp n LEU 13 Cb 0.13 -0.43 0.18 0.00 -2.33 0.00 0.00 43.42 40.97 1smp n LEU 13 CO 0.36 -0.22 0.62 1.41 -1.33 0.00 0.00 177.39 178.24 1smp n HIS 14 N -2.00 0.40 -2.59 -1.77 8.25 -0.72 -5.00 115.22 111.80 1smp n HIS 14 Ca 0.05 -0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 56.19 1smp n HIS 14 Cb 0.34 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1smp n HIS 14 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1smp s TYR 15 N -2.66 3.40 -1.17 4.41 5.04 -1.03 -4.05 117.35 121.30 1smp s TYR 15 Ca 0.34 1.44 -0.07 0.00 -2.44 0.00 0.00 57.07 56.34 1smp s TYR 15 Cb 0.28 -3.28 -0.02 0.00 0.35 0.00 0.00 41.96 39.28 1smp s TYR 15 CO 0.06 -0.68 0.83 0.72 -1.34 0.00 0.00 175.55 175.14 1smp n HIS 16 N 4.89 -2.13 -2.48 4.97 8.25 -1.26 -4.80 115.22 122.66 1smp n HIS 16 Ca 0.09 0.77 -0.34 0.00 -0.26 0.00 0.00 57.72 57.97 1smp n HIS 16 Cb 0.48 -4.17 -0.03 0.00 1.12 0.00 0.00 29.99 27.39 1smp n HIS 16 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1smp s GLU 17 N -5.38 3.72 0.20 -0.41 2.02 -1.26 -5.01 118.70 112.58 1smp s GLU 17 Ca 0.26 1.43 -0.06 0.00 0.02 0.00 0.00 54.97 56.62 1smp s GLU 17 Cb -0.06 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1smp s GLU 17 CO 0.79 -0.51 0.27 -0.98 0.02 0.00 0.00 175.26 174.84 1smp s ARG 18 N -3.21 1.28 2.44 1.61 1.70 -1.26 -5.09 118.95 116.43 1smp s ARG 18 Ca 0.68 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 1smp s ARG 18 Cb -0.18 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1smp s ARG 18 CO 0.22 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.38 1smp n GLY 19 N -0.28 -0.24 3.76 3.88 0.00 -1.23 -4.77 105.19 106.31 1smp n GLY 19 Ca -0.02 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1smp n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1smp n ASN 20 N -1.75 -1.80 -0.24 1.61 3.02 -1.26 -2.30 115.26 112.54 1smp n ASN 20 Ca 0.00 -0.91 -0.03 0.00 -0.03 0.00 0.00 54.58 53.61 1smp n ASN 20 Cb 0.00 -3.67 -0.01 0.00 -0.61 0.00 0.00 39.78 35.49 1smp n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1smp n GLY 21 N -1.71 0.33 3.78 7.41 0.00 -1.26 -4.96 105.19 108.78 1smp n GLY 21 Ca -0.26 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1smp n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smp s ILE 22 N -1.33 3.25 -0.09 -0.61 1.01 -0.97 -4.93 121.20 117.52 1smp s ILE 22 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.41 1smp s ILE 22 Cb 0.00 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.20 1smp s ILE 22 CO 0.00 -0.21 -0.16 -1.10 0.00 0.00 0.00 174.94 173.48 1smp s GLN 23 N -3.43 2.19 -0.02 2.79 -1.52 -1.26 -1.99 119.66 116.41 1smp s GLN 23 Ca 0.71 -0.56 0.01 0.00 -1.95 0.00 0.00 55.36 53.57 1smp s GLN 23 Cb -0.22 -1.81 0.01 0.00 -0.22 0.00 0.00 33.01 30.77 1smp s GLN 23 CO 0.29 0.00 -0.05 0.42 -0.25 0.00 0.00 175.29 175.70 1smp s ILE 24 N 0.80 0.48 -1.46 1.08 1.01 0.17 -4.77 121.20 118.50 1smp s ILE 24 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1smp s ILE 24 Cb -0.16 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.86 1smp s ILE 24 CO 0.02 0.17 0.00 0.59 0.00 0.00 0.00 174.94 175.72 1smp n ASN 25 N 3.45 -4.53 -0.05 3.58 3.02 -1.26 -0.05 115.26 119.42 1smp n ASN 25 Ca -0.19 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1smp n ASN 25 Cb 0.54 -3.91 -0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1smp n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1smp n GLY 26 N -0.69 0.47 3.37 7.41 0.00 -1.26 -5.02 105.19 109.48 1smp n GLY 26 Ca -0.18 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1smp n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smp s LYS 27 N -0.75 1.39 0.65 1.61 -0.14 0.93 -5.07 119.74 118.35 1smp s LYS 27 Ca 0.00 -1.50 -0.17 0.00 -1.36 0.00 0.00 55.97 52.94 1smp s LYS 27 Cb 0.00 -1.50 -0.01 0.00 -1.68 0.00 0.00 37.83 34.64 1smp s LYS 27 CO 0.00 0.30 1.19 -0.51 -0.76 0.00 0.00 175.35 175.57 1smp s ASP 28 N -2.83 4.88 -0.21 2.83 1.01 -1.26 -0.66 116.67 120.43 1smp s ASP 28 Ca 0.19 2.31 -0.09 0.00 0.71 0.00 0.00 52.55 55.67 1smp s ASP 28 Cb -0.06 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1smp s ASP 28 CO 0.08 -1.80 0.10 -0.55 0.21 0.00 0.00 175.17 173.22 1smp s SER 29 N -1.90 5.77 0.07 0.27 0.15 -0.84 -0.43 113.70 116.79 1smp s SER 29 Ca 0.75 0.06 0.02 0.00 0.70 0.00 0.00 55.95 57.47 1smp s SER 29 Cb -0.28 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1smp s SER 29 CO 0.38 0.10 0.15 -0.36 1.20 0.00 0.00 173.24 174.71 1smp s PHE 30 N 0.80 3.35 0.71 3.44 0.40 -1.26 -3.54 117.98 121.88 1smp s PHE 30 Ca 0.05 0.16 -0.07 0.00 -0.60 0.00 0.00 56.93 56.47 1smp s PHE 30 Cb -0.13 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.78 1smp s PHE 30 CO 0.02 0.55 1.02 -1.54 0.70 0.00 0.00 175.22 175.97 1smp s SER 31 N -2.48 4.80 0.24 1.36 1.04 -1.26 -3.67 113.70 113.73 1smp s SER 31 Ca 0.32 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 1smp s SER 31 Cb -0.12 -1.10 0.43 0.00 0.10 0.00 0.00 66.02 65.33 1smp s SER 31 CO 0.25 -1.61 1.74 -1.13 0.98 0.00 0.00 173.24 173.47 1smp h ASN 32 N -0.61 0.32 -0.43 7.02 -0.00 -1.99 0.29 115.58 120.17 1smp h ASN 32 Ca -0.44 0.10 -0.13 0.00 -0.00 0.00 0.00 56.30 55.82 1smp h ASN 32 Cb 1.32 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.69 1smp h ASN 32 CO 0.60 0.14 -0.24 -0.08 -0.00 0.00 0.00 177.43 177.84 1smp h GLU 33 N 0.47 0.93 -0.34 6.67 4.81 -1.98 -2.02 114.58 123.12 1smp h GLU 33 Ca 0.40 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1smp h GLU 33 Cb 0.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1smp h GLU 33 CO -0.37 1.08 -0.03 1.96 -0.73 0.00 0.00 179.01 180.92 1smp h GLN 34 N 0.77 0.63 -0.85 1.92 4.20 -1.69 -2.41 115.11 117.67 1smp h GLN 34 Ca 0.09 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1smp h GLN 34 Cb 0.82 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1smp h GLN 34 CO 0.07 0.76 0.55 0.00 -0.67 0.00 0.00 178.83 179.54 1smp h ALA 35 N 0.84 1.36 -0.52 3.87 0.00 -0.94 -0.72 119.26 123.15 1smp h ALA 35 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1smp h ALA 35 Cb 0.50 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1smp h ALA 35 CO 0.02 0.58 0.19 0.78 0.00 0.00 0.00 179.25 180.82 1smp h GLY 36 N 1.17 0.86 1.42 0.00 0.00 -1.18 -1.69 103.07 103.64 1smp h GLY 36 Ca 0.31 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 1smp h GLY 36 CO -0.06 0.45 -0.37 1.41 0.00 0.00 0.00 176.54 177.97 1smp h LEU 37 N 0.71 0.68 -0.79 3.11 3.38 -1.08 -3.15 115.31 118.16 1smp h LEU 37 Ca 0.17 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1smp h LEU 37 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1smp h LEU 37 CO -0.01 0.98 -0.16 0.15 0.09 0.00 0.00 178.44 179.49 1smp h PHE 38 N 0.54 0.82 0.00 1.13 3.57 -0.87 -2.14 116.94 119.99 1smp h PHE 38 Ca 0.05 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1smp h PHE 38 Cb 0.88 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1smp h PHE 38 CO 0.04 0.85 -0.05 0.82 -2.23 0.00 0.00 178.31 177.74 1smp h ILE 39 N 0.66 0.21 -0.54 1.41 2.04 -1.29 -2.41 117.51 117.58 1smp h ILE 39 Ca 0.10 -0.42 -0.22 0.00 1.00 0.00 0.00 64.86 65.32 1smp h ILE 39 Cb 0.64 1.34 -0.13 0.00 -0.74 0.00 0.00 36.82 37.93 1smp h ILE 39 CO 0.04 0.05 0.15 0.35 0.00 0.00 0.00 178.15 178.75 1smp n THR 40 N -3.27 2.71 0.33 -0.27 -2.24 -0.82 -1.03 114.28 109.68 1smp n THR 40 Ca -0.01 -2.20 0.20 0.00 -2.27 0.00 0.00 64.05 59.77 1smp n THR 40 Cb 0.23 -0.35 1.12 0.00 -2.10 0.00 0.00 70.33 69.24 1smp n THR 40 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1smp h ARG 41 N 1.48 0.00 0.00 -0.78 0.11 -1.26 -1.90 114.38 112.03 1smp h ARG 41 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1smp h ARG 41 Cb 2.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1smp h ARG 41 CO 0.57 0.00 0.00 1.49 0.10 0.00 0.00 179.97 182.13 1smp h GLU 42 N 0.00 0.00 -0.81 0.08 4.57 -1.86 -3.46 114.58 113.10 1smp h GLU 42 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 1smp h GLU 42 Cb 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.46 1smp h GLU 42 CO 0.00 0.00 -0.31 0.09 -1.18 0.00 0.00 179.01 177.61 1smp n ASN 43 N -2.85 -5.59 -4.56 1.04 5.03 -0.72 -4.94 115.26 102.67 1smp n ASN 43 Ca 0.01 0.42 -0.39 0.00 0.87 0.00 0.00 54.58 55.49 1smp n ASN 43 Cb 0.27 -4.58 -0.11 0.00 -1.02 0.00 0.00 39.78 34.34 1smp n ASN 43 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1smp s GLN 44 N -3.43 3.75 0.24 3.52 -1.52 -1.26 -0.31 119.66 120.64 1smp s GLN 44 Ca 0.00 -0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.01 1smp s GLN 44 Cb 0.00 -3.73 -0.05 0.00 -0.22 0.00 0.00 33.01 29.01 1smp s GLN 44 CO 0.00 -0.30 -0.04 0.95 -0.25 0.00 0.00 175.29 175.65 1smp s THR 45 N 1.76 1.28 -0.81 -0.19 -4.23 -1.14 -4.42 115.64 107.89 1smp s THR 45 Ca 0.07 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1smp s THR 45 Cb -0.17 -2.32 0.12 0.00 1.34 0.00 0.00 72.50 71.47 1smp s THR 45 CO 0.11 -0.37 1.39 0.79 -0.54 0.00 0.00 174.62 176.00 1smp n TRP 46 N -0.45 0.23 1.13 3.99 7.02 -1.26 -1.45 117.44 126.65 1smp n TRP 46 Ca -0.06 0.10 0.12 0.00 -1.02 0.00 0.00 57.50 56.65 1smp n TRP 46 Cb 0.63 -0.67 0.19 0.00 -2.42 0.00 0.00 31.31 29.05 1smp n TRP 46 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1smp n ASN 47 N -1.72 2.08 0.00 -0.99 5.03 -1.26 -5.06 115.26 113.33 1smp n ASN 47 Ca 0.02 -1.56 0.00 0.00 0.87 0.00 0.00 54.58 53.90 1smp n ASN 47 Cb 0.11 0.18 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1smp n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1smp n GLY 48 N 1.34 2.85 3.69 7.41 0.00 -0.53 -4.79 105.19 115.16 1smp n GLY 48 Ca 0.13 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1smp n GLY 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1smp s TYR 49 N -2.04 2.75 -1.90 1.61 5.04 -1.26 -2.87 117.35 118.67 1smp s TYR 49 Ca 0.00 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1smp s TYR 49 Cb 0.00 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.57 1smp s TYR 49 CO 0.00 -2.82 0.00 1.63 -1.34 0.00 0.00 175.55 173.02 1smp n LYS 50 N 5.40 -1.31 -3.30 4.97 5.02 0.58 -4.96 118.16 124.57 1smp n LYS 50 Ca 0.14 1.11 -0.45 0.00 -2.02 0.00 0.00 58.31 57.09 1smp n LYS 50 Cb 0.43 -5.43 -0.06 0.00 -0.02 0.00 0.00 35.03 29.95 1smp n LYS 50 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1smp s VAL 51 N -2.72 5.14 0.12 -0.18 1.01 -1.14 -5.05 120.40 117.59 1smp s VAL 51 Ca 0.00 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.81 1smp s VAL 51 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1smp s VAL 51 CO 0.00 -0.81 0.03 -0.36 0.00 0.00 0.00 175.10 173.96 1smp s PHE 52 N 1.84 3.01 -0.01 5.22 0.08 -1.26 -4.69 117.98 122.17 1smp s PHE 52 Ca 0.05 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.06 1smp s PHE 52 Cb -0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1smp s PHE 52 CO 0.05 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 176.08 1smp n GLY 53 N 0.22 0.42 3.90 4.36 0.00 0.41 -4.97 105.19 109.53 1smp n GLY 53 Ca -0.10 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1smp n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smp s GLN 54 N -0.35 3.46 0.93 1.61 -1.52 -1.23 -4.23 119.66 118.33 1smp s GLN 54 Ca 0.00 -0.25 -0.12 0.00 -1.95 0.00 0.00 55.36 53.04 1smp s GLN 54 Cb 0.00 -3.11 0.15 0.00 -0.22 0.00 0.00 33.01 29.83 1smp s GLN 54 CO 0.00 0.69 1.10 -1.25 -0.25 0.00 0.00 175.29 175.58 1smp s PRO 55 N -1.75 0.99 -0.02 2.91 0.04 -1.25 -4.22 135.00 131.70 1smp s PRO 55 Ca 0.25 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 1smp s PRO 55 Cb -0.13 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1smp s PRO 55 CO 0.16 -2.36 0.36 0.54 0.04 0.00 0.00 177.00 175.74 1smp s VAL 56 N -3.04 0.05 -0.15 -0.36 0.11 0.01 -5.00 120.40 112.03 1smp s VAL 56 Ca 0.64 -0.41 -0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1smp s VAL 56 Cb -0.17 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1smp s VAL 56 CO 0.56 -0.22 -0.09 -1.59 -3.33 0.00 0.00 175.10 170.43 1smp s LYS 57 N -1.34 1.79 0.22 1.54 -2.85 -1.26 0.29 119.74 118.13 1smp s LYS 57 Ca -0.13 -0.47 0.10 0.00 -1.00 0.00 0.00 55.97 54.47 1smp s LYS 57 Cb -0.04 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 1smp s LYS 57 CO 0.05 -0.32 -0.12 -0.51 0.10 0.00 0.00 175.35 174.56 1smp s LEU 58 N 1.59 2.86 0.22 2.77 1.43 0.41 -4.90 118.68 123.06 1smp s LEU 58 Ca 0.03 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 1smp s LEU 58 Cb -0.14 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1smp s LEU 58 CO -0.09 0.07 0.05 0.42 0.23 0.00 0.00 176.35 177.03 1smp s THR 59 N -2.01 3.85 0.06 5.49 -4.23 -1.26 -0.31 115.64 117.23 1smp s THR 59 Ca 0.27 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 1smp s THR 59 Cb -0.07 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1smp s THR 59 CO 0.15 -0.25 0.24 0.72 -0.54 0.00 0.00 174.62 174.94 1smp s PHE 60 N -2.01 0.01 0.23 3.99 -0.71 -0.74 -1.85 117.98 116.89 1smp s PHE 60 Ca 0.30 -0.25 -0.17 0.00 -1.04 0.00 0.00 56.93 55.76 1smp s PHE 60 Cb -0.08 0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.77 1smp s PHE 60 CO 0.21 -0.49 0.57 -1.54 -1.34 0.00 0.00 175.22 172.62 1smp s SER 61 N -2.28 -0.23 -0.59 1.98 1.04 -0.90 -0.90 113.70 111.82 1smp s SER 61 Ca -0.02 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.83 1smp s SER 61 Cb 0.00 0.62 0.15 0.00 0.10 0.00 0.00 66.02 66.89 1smp s SER 61 CO -0.06 -1.16 0.35 -0.36 0.98 0.00 0.00 173.24 173.00 1smp s PHE 62 N -3.92 3.30 0.74 5.02 0.40 -1.26 -2.58 117.98 119.67 1smp s PHE 62 Ca 0.13 -3.23 -0.15 0.00 -0.60 0.00 0.00 56.93 53.08 1smp s PHE 62 Cb -0.02 -2.75 0.04 0.00 0.51 0.00 0.00 43.02 40.80 1smp s PHE 62 CO 0.03 -0.66 1.21 -2.30 0.70 0.00 0.00 175.22 174.19 1smp n PRO 63 N 2.66 0.59 -2.87 0.24 -0.02 -1.26 -4.62 135.00 129.72 1smp n PRO 63 Ca 0.11 0.27 -0.44 0.00 -2.02 0.00 0.00 63.50 61.42 1smp n PRO 63 Cb 0.33 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1smp n PRO 63 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1smp n ASP 64 N -2.53 5.20 -4.75 2.55 -0.08 -1.26 -4.11 116.55 111.58 1smp n ASP 64 Ca 0.14 -2.99 -0.41 0.00 -1.51 0.00 0.00 54.79 50.02 1smp n ASP 64 Cb 0.49 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.36 1smp n ASP 64 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1smp s TYR 65 N 1.46 3.29 -0.00 -0.67 2.02 -1.26 -4.91 117.35 117.27 1smp s TYR 65 Ca 0.43 1.38 -0.20 0.00 -0.37 0.00 0.00 57.07 58.30 1smp s TYR 65 Cb -0.01 -3.54 -0.05 0.00 -0.40 0.00 0.00 41.96 37.96 1smp s TYR 65 CO 0.00 -1.54 0.59 -1.59 -1.57 0.00 0.00 175.55 171.45 1smp s LYS 66 N -0.75 4.31 0.33 -0.62 -2.85 -1.26 -4.11 119.74 114.78 1smp s LYS 66 Ca 0.52 0.73 0.12 0.00 -1.00 0.00 0.00 55.97 56.34 1smp s LYS 66 Cb -0.36 -3.34 1.04 0.00 -2.06 0.00 0.00 37.83 33.12 1smp s LYS 66 CO 0.42 0.37 1.62 0.35 0.10 0.00 0.00 175.35 178.21 1smp h PHE 67 N 5.62 0.63 -0.01 1.78 3.57 -1.93 -0.58 116.94 126.01 1smp h PHE 67 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1smp h PHE 67 Cb 1.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1smp h PHE 67 CO 0.66 -0.32 0.00 0.43 -2.23 0.00 0.00 178.31 176.85 1smp n SER 68 N -5.22 0.84 -4.47 0.41 7.64 -1.26 -1.06 113.62 110.50 1smp n SER 68 Ca 0.30 -1.30 -0.29 0.00 1.01 0.00 0.00 58.87 58.60 1smp n SER 68 Cb 0.99 -0.00 0.18 0.00 -1.01 0.00 0.00 64.21 64.37 1smp n SER 68 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1smp s SER 69 N -1.97 2.46 -0.02 6.43 0.01 -0.23 -4.86 113.70 115.52 1smp s SER 69 Ca 0.42 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.61 1smp s SER 69 Cb 0.21 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 65.03 1smp s SER 69 CO 0.34 -3.20 -0.04 -0.89 0.41 0.00 0.00 173.24 169.86 1smp s THR 70 N -3.13 0.39 0.73 1.44 2.01 -1.26 -4.02 115.64 111.80 1smp s THR 70 Ca 0.67 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1smp s THR 70 Cb -0.14 -0.37 0.12 0.00 0.01 0.00 0.00 72.50 72.11 1smp s THR 70 CO 0.56 0.14 1.01 0.54 -0.69 0.00 0.00 174.62 176.18 1smp s ASN 71 N 0.28 4.35 0.56 3.53 2.20 0.10 -4.91 114.94 121.03 1smp s ASN 71 Ca -0.03 -0.19 0.26 0.00 -0.94 0.00 0.00 52.86 51.96 1smp s ASN 71 Cb -0.07 -0.23 1.48 0.00 -2.00 0.00 0.00 41.25 40.43 1smp s ASN 71 CO -0.00 -1.86 2.02 -0.37 -2.94 0.00 0.00 177.10 173.95 1smp h VAL 72 N -0.59 0.62 -0.01 3.54 -1.51 -2.02 0.16 116.25 116.44 1smp h VAL 72 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1smp h VAL 72 Cb 1.27 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1smp h VAL 72 CO 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.77 1smp n ALA 73 N -2.50 2.65 -0.94 5.19 0.00 -1.26 -4.89 120.51 118.75 1smp n ALA 73 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1smp n ALA 73 Cb 0.50 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1smp n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smp n GLY 74 N 1.00 0.42 3.91 0.00 0.00 0.56 -5.05 105.19 106.04 1smp n GLY 74 Ca 0.21 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1smp n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smp s ASP 75 N -2.88 6.43 0.20 1.61 1.01 -1.26 -4.51 116.67 117.28 1smp s ASP 75 Ca 0.00 0.45 0.04 0.00 0.71 0.00 0.00 52.55 53.74 1smp s ASP 75 Cb 0.00 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 1smp s ASP 75 CO 0.00 0.13 0.14 1.07 0.21 0.00 0.00 175.17 176.71 1smp n THR 76 N 0.29 0.00 -2.76 -1.27 5.66 0.32 -0.73 114.28 115.79 1smp n THR 76 Ca -0.04 -1.37 -0.07 0.00 -3.05 0.00 0.00 64.05 59.51 1smp n THR 76 Cb 0.52 0.63 0.02 0.00 -1.55 0.00 0.00 70.33 69.95 1smp n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1smp n GLY 77 N -0.07 0.44 3.81 1.09 0.00 -0.23 -0.86 105.19 109.38 1smp n GLY 77 Ca 0.02 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1smp n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smp s LEU 78 N -3.00 2.27 -0.13 0.99 1.43 -1.00 -2.18 118.68 117.06 1smp s LEU 78 Ca 0.15 1.02 -0.32 0.00 -1.03 0.00 0.00 54.13 53.95 1smp s LEU 78 Cb -0.06 -3.46 0.13 0.00 0.03 0.00 0.00 46.19 42.82 1smp s LEU 78 CO 0.22 -2.26 1.08 -0.94 0.23 0.00 0.00 176.35 174.68 1smp s SER 79 N -4.10 -0.25 0.54 2.29 1.04 -1.07 -3.52 113.70 108.63 1smp s SER 79 Ca 0.63 0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 1smp s SER 79 Cb -0.14 0.24 -0.07 0.00 0.10 0.00 0.00 66.02 66.16 1smp s SER 79 CO 0.53 -0.36 1.01 -0.75 0.98 0.00 0.00 173.24 174.65 1smp s LYS 80 N -2.25 3.74 0.24 4.02 2.20 -1.26 -1.80 119.74 124.63 1smp s LYS 80 Ca 0.06 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 1smp s LYS 80 Cb -0.01 -2.10 -0.10 0.00 -1.51 0.00 0.00 37.83 34.11 1smp s LYS 80 CO -0.05 -0.45 1.47 -0.06 -0.36 0.00 0.00 175.35 175.90 1smp s PHE 81 N -2.52 3.02 1.17 4.03 0.40 -1.26 -4.77 117.98 118.05 1smp s PHE 81 Ca 0.61 0.95 -0.18 0.00 -0.60 0.00 0.00 56.93 57.72 1smp s PHE 81 Cb -0.12 -3.85 0.27 0.00 0.51 0.00 0.00 43.02 39.83 1smp s PHE 81 CO 0.32 -2.82 1.09 -1.54 0.70 0.00 0.00 175.22 172.97 1smp s SER 82 N 0.50 1.14 0.19 1.36 1.04 -1.26 -4.71 113.70 111.97 1smp s SER 82 Ca 0.61 0.79 -0.10 0.00 0.48 0.00 0.00 55.95 57.73 1smp s SER 82 Cb -0.42 -1.15 0.10 0.00 0.10 0.00 0.00 66.02 64.64 1smp s SER 82 CO 0.41 -4.00 1.73 0.00 0.98 0.00 0.00 173.24 172.37 1smp h ALA 83 N -2.50 0.86 -0.10 5.32 0.00 -1.98 -0.17 119.26 120.69 1smp h ALA 83 Ca -0.48 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1smp h ALA 83 Cb 1.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1smp h ALA 83 CO 0.40 0.51 0.05 1.49 0.00 0.00 0.00 179.25 181.69 1smp h GLU 84 N 0.95 0.15 -0.88 0.00 4.81 -1.94 -0.49 114.58 117.19 1smp h GLU 84 Ca 0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1smp h GLU 84 Cb 0.25 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1smp h GLU 84 CO -0.01 0.24 0.57 1.96 -0.73 0.00 0.00 179.01 181.03 1smp h GLN 85 N 0.03 1.17 -0.49 1.92 4.20 -1.81 -0.77 115.11 119.36 1smp h GLN 85 Ca 0.04 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1smp h GLN 85 Cb 0.14 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1smp h GLN 85 CO -0.00 0.79 -0.04 1.96 -0.67 0.00 0.00 178.83 180.86 1smp h GLN 86 N 1.20 0.84 0.44 1.46 4.20 -0.81 0.72 115.11 123.16 1smp h GLN 86 Ca 0.32 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1smp h GLN 86 Cb -0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1smp h GLN 86 CO -0.07 0.87 -0.21 0.37 -0.67 0.00 0.00 178.83 179.12 1smp h GLN 87 N 0.77 -0.57 -0.62 1.46 4.15 -0.31 -1.82 115.11 118.18 1smp h GLN 87 Ca 0.14 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1smp h GLN 87 Cb 0.52 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1smp h GLN 87 CO 0.03 -0.32 0.21 1.96 -1.93 0.00 0.00 178.83 178.78 1smp h GLN 88 N -0.71 0.94 -0.41 1.69 1.08 -1.11 -2.22 115.11 114.37 1smp h GLN 88 Ca -0.06 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 1smp h GLN 88 Cb 0.51 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1smp h GLN 88 CO 0.10 0.80 0.07 0.00 -0.95 0.00 0.00 178.83 178.85 1smp h ALA 89 N 1.32 1.36 0.00 3.87 0.00 -0.78 -1.57 119.26 123.45 1smp h ALA 89 Ca 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1smp h ALA 89 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1smp h ALA 89 CO -0.01 0.45 -0.43 0.87 0.00 0.00 0.00 179.25 180.14 1smp h LYS 90 N 0.60 0.00 -0.14 0.00 1.57 -0.74 -1.70 116.57 116.15 1smp h LYS 90 Ca 0.14 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 1smp h LYS 90 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1smp h LYS 90 CO 0.00 0.43 -0.75 -0.07 -0.57 0.00 0.00 179.45 178.49 1smp h LEU 91 N 0.00 0.82 -0.23 2.94 3.38 -0.84 -2.44 115.31 118.94 1smp h LEU 91 Ca -0.00 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1smp h LEU 91 Cb 0.90 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1smp h LEU 91 CO 0.06 1.31 -0.03 0.28 0.09 0.00 0.00 178.44 180.15 1smp h SER 92 N 0.48 0.43 -0.54 -0.43 0.02 -1.23 -2.44 113.55 109.84 1smp h SER 92 Ca -0.04 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1smp h SER 92 Cb 1.36 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1smp h SER 92 CO 0.15 0.67 0.20 -0.07 -1.14 0.00 0.00 176.83 176.64 1smp h LEU 93 N 0.18 0.22 -0.83 5.07 3.38 -1.32 -2.29 115.31 119.71 1smp h LEU 93 Ca 0.06 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1smp h LEU 93 Cb 0.46 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1smp h LEU 93 CO 0.02 0.15 0.55 -0.61 0.09 0.00 0.00 178.44 178.63 1smp h GLN 94 N 0.39 1.07 0.00 1.13 4.15 -1.29 -2.02 115.11 118.54 1smp h GLN 94 Ca 0.26 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1smp h GLN 94 Cb 0.28 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1smp h GLN 94 CO -0.25 0.71 -0.04 0.66 -1.93 0.00 0.00 178.83 177.98 1smp h SER 95 N 1.10 0.00 0.34 -0.69 4.64 -0.92 0.32 113.55 118.34 1smp h SER 95 Ca 0.31 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.31 1smp h SER 95 Cb -0.09 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1smp h SER 95 CO -0.08 0.04 -1.48 -0.50 -0.87 0.00 0.00 176.83 173.94 1smp h TRP 96 N 0.00 0.82 0.00 4.77 4.06 -1.26 -3.24 115.95 121.10 1smp h TRP 96 Ca -0.00 -0.60 -0.06 0.00 2.06 0.00 0.00 58.89 60.29 1smp h TRP 96 Cb 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1smp h TRP 96 CO 0.00 1.51 -0.27 0.00 -3.56 0.00 0.00 178.44 176.12 1smp h ALA 97 N 0.26 1.30 -0.74 1.49 0.00 -0.41 -2.38 119.26 118.78 1smp h ALA 97 Ca -0.25 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1smp h ALA 97 Cb 2.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 1smp h ALA 97 CO 0.24 0.34 0.25 -0.44 0.00 0.00 0.00 179.25 179.64 1smp h ASP 98 N 0.00 1.06 0.46 0.00 5.19 -0.48 -3.31 116.42 119.34 1smp h ASP 98 Ca -0.00 -0.20 -0.30 0.00 -0.62 0.00 0.00 57.03 55.91 1smp h ASP 98 Cb 0.57 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1smp h ASP 98 CO 0.04 0.98 -1.69 -0.37 -3.12 0.00 0.00 179.24 175.07 1smp h VAL 99 N 1.08 0.90 -2.26 -1.35 -1.51 -1.55 -3.43 116.25 108.13 1smp h VAL 99 Ca 0.24 -2.70 -0.56 0.00 -1.23 0.00 0.00 66.70 62.45 1smp h VAL 99 Cb 0.28 2.50 -0.14 0.00 -2.13 0.00 0.00 31.29 31.81 1smp h VAL 99 CO -0.01 0.63 -0.65 0.00 -1.23 0.00 0.00 177.57 176.31 1smp s ALA 100 N -2.60 2.70 -1.37 5.19 0.00 -0.92 -1.21 121.76 123.55 1smp s ALA 100 Ca -0.08 -2.07 -0.15 0.00 0.00 0.00 0.00 51.96 49.66 1smp s ALA 100 Cb 0.08 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 1smp s ALA 100 CO 0.82 -0.08 2.26 0.09 0.00 0.00 0.00 175.76 178.85 1smp n ASN 101 N -0.75 4.22 -4.35 0.00 5.03 -0.86 -4.55 115.26 114.01 1smp n ASN 101 Ca -0.05 -2.78 -0.32 0.00 0.87 0.00 0.00 54.58 52.31 1smp n ASN 101 Cb 0.65 -1.56 -0.15 0.00 -1.02 0.00 0.00 39.78 37.69 1smp n ASN 101 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1smp s ILE 102 N 3.34 2.36 -0.20 2.41 1.01 -1.26 -0.81 121.20 128.05 1smp s ILE 102 Ca 0.51 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1smp s ILE 102 Cb 0.14 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1smp s ILE 102 CO -0.06 0.58 -0.12 -0.89 0.00 0.00 0.00 174.94 174.46 1smp s THR 103 N -0.49 1.75 -0.12 2.92 2.01 0.14 -4.69 115.64 117.16 1smp s THR 103 Ca 0.06 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1smp s THR 103 Cb -0.11 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1smp s THR 103 CO 0.01 0.19 0.09 -0.36 -0.69 0.00 0.00 174.62 173.86 1smp s PHE 104 N 1.35 3.41 -0.04 4.92 0.08 -1.25 0.16 117.98 126.61 1smp s PHE 104 Ca -0.01 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.39 1smp s PHE 104 Cb -0.16 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1smp s PHE 104 CO -0.08 0.55 0.02 0.95 -0.10 0.00 0.00 175.22 176.55 1smp s THR 105 N -0.70 0.10 0.13 0.64 -4.23 0.58 -4.95 115.64 107.21 1smp s THR 105 Ca 0.12 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 1smp s THR 105 Cb -0.12 -0.24 -0.07 0.00 1.34 0.00 0.00 72.50 73.41 1smp s THR 105 CO 0.03 0.16 1.12 -0.70 -0.54 0.00 0.00 174.62 174.68 1smp s GLU 106 N 1.39 4.54 0.23 3.99 2.12 -1.26 -1.79 118.70 127.92 1smp s GLU 106 Ca -0.05 1.71 0.08 0.00 0.36 0.00 0.00 54.97 57.08 1smp s GLU 106 Cb -0.13 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1smp s GLU 106 CO -0.03 -0.04 0.02 0.14 -0.54 0.00 0.00 175.26 174.81 1smp s VAL 107 N 0.28 3.66 0.56 3.70 -7.23 -0.08 -4.88 120.40 116.41 1smp s VAL 107 Ca 0.53 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.83 1smp s VAL 107 Cb -0.29 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 1smp s VAL 107 CO 0.33 -0.27 1.23 0.00 -0.31 0.00 0.00 175.10 176.08 1smp s ALA 108 N -2.06 2.69 -0.11 1.32 0.00 -1.26 -4.53 121.76 117.81 1smp s ALA 108 Ca 0.30 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 1smp s ALA 108 Cb -0.08 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1smp s ALA 108 CO 0.20 -1.10 2.06 0.00 0.00 0.00 0.00 175.76 176.91 1smp n ALA 109 N -1.25 1.46 0.00 0.00 0.00 -1.26 -0.71 120.51 118.74 1smp n ALA 109 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1smp n ALA 109 Cb 0.48 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1smp n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smp n GLY 110 N 5.09 1.73 3.89 0.00 0.00 -1.26 -4.90 105.19 109.75 1smp n GLY 110 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1smp n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smp s GLN 111 N 0.00 3.69 -0.12 1.61 -1.52 0.11 -5.02 119.66 118.41 1smp s GLN 111 Ca 0.00 0.09 -0.29 0.00 -1.95 0.00 0.00 55.36 53.21 1smp s GLN 111 Cb 0.00 -2.68 -0.03 0.00 -0.22 0.00 0.00 33.01 30.08 1smp s GLN 111 CO 0.00 0.30 1.36 0.21 -0.25 0.00 0.00 175.29 176.91 1smp s LYS 112 N -3.12 4.23 0.16 2.91 2.36 -1.26 -4.90 119.74 120.13 1smp s LYS 112 Ca 0.45 1.81 0.10 0.00 -2.55 0.00 0.00 55.97 55.78 1smp s LYS 112 Cb -0.11 -3.80 -0.04 0.00 -1.05 0.00 0.00 37.83 32.83 1smp s LYS 112 CO 0.26 -0.72 -0.23 0.00 1.55 0.00 0.00 175.35 176.21 1smp s ALA 113 N 3.49 2.31 -0.04 3.13 0.00 -1.26 -4.98 121.76 124.40 1smp s ALA 113 Ca 0.60 -1.53 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1smp s ALA 113 Cb -0.25 -0.30 -0.21 0.00 0.00 0.00 0.00 23.12 22.36 1smp s ALA 113 CO 0.19 0.40 1.15 -0.91 0.00 0.00 0.00 175.76 176.59 1smp h ASN 114 N 3.44 -0.03 -3.50 0.00 4.21 -1.83 -3.44 115.58 114.43 1smp h ASN 114 Ca -0.46 -0.55 -0.66 0.00 1.21 0.00 0.00 56.30 55.83 1smp h ASN 114 Cb 1.20 0.01 -0.22 0.00 -1.12 0.00 0.00 38.32 38.18 1smp h ASN 114 CO 0.46 0.55 -0.71 -0.63 -1.29 0.00 0.00 177.43 175.81 1smp s ILE 115 N -3.85 3.57 0.10 2.81 1.01 -0.77 -4.19 121.20 119.87 1smp s ILE 115 Ca -0.16 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1smp s ILE 115 Cb 0.01 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1smp s ILE 115 CO 0.65 0.55 -0.09 0.42 0.00 0.00 0.00 174.94 176.47 1smp s THR 116 N -0.15 0.86 0.00 2.92 -4.23 -0.70 -2.11 115.64 112.23 1smp s THR 116 Ca 0.01 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1smp s THR 116 Cb -0.13 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1smp s THR 116 CO 0.03 -0.64 -0.17 -0.36 -0.54 0.00 0.00 174.62 172.94 1smp s PHE 117 N -2.71 1.49 0.06 3.99 0.40 -1.07 -1.97 117.98 118.17 1smp s PHE 117 Ca 0.06 -0.30 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 1smp s PHE 117 Cb -0.01 -0.93 0.07 0.00 0.51 0.00 0.00 43.02 42.66 1smp s PHE 117 CO -0.01 0.00 0.65 0.20 0.70 0.00 0.00 175.22 176.76 1smp s GLY 118 N -0.62 -0.59 0.28 4.36 0.00 -1.17 -4.07 107.32 105.50 1smp s GLY 118 Ca 0.06 0.88 0.06 0.00 0.00 0.00 0.00 44.72 45.72 1smp s GLY 118 CO 0.00 0.52 0.35 -1.31 0.00 0.00 0.00 173.10 172.67 1smp s ASN 119 N -2.05 5.98 0.05 1.64 0.01 -0.74 -1.80 114.94 118.03 1smp s ASN 119 Ca -0.04 -0.11 -0.09 0.00 -0.71 0.00 0.00 52.86 51.91 1smp s ASN 119 Cb -0.01 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.13 1smp s ASN 119 CO -0.03 -0.19 0.18 -0.72 -1.51 0.00 0.00 177.10 174.84 1smp s TYR 120 N -2.09 0.08 0.00 2.20 -0.85 -0.40 -2.59 117.35 113.70 1smp s TYR 120 Ca 0.37 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1smp s TYR 120 Cb -0.09 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.21 1smp s TYR 120 CO 0.29 -0.44 0.01 -1.13 -1.52 0.00 0.00 175.55 172.76 1smp n SER 121 N 0.59 0.02 -3.97 -0.18 3.41 -0.91 -2.05 113.62 110.53 1smp n SER 121 Ca -0.18 -0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.06 1smp n SER 121 Cb 0.59 0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.48 1smp n SER 121 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1smp s GLN 122 N -0.08 0.40 0.30 4.33 -0.21 -0.04 -0.99 119.66 123.38 1smp s GLN 122 Ca 0.00 -0.26 0.24 0.00 0.02 0.00 0.00 55.36 55.36 1smp s GLN 122 Cb 0.00 -0.36 0.37 0.00 1.00 0.00 0.00 33.01 34.02 1smp s GLN 122 CO 0.00 0.09 1.49 0.38 -2.12 0.00 0.00 175.29 175.14 1smp h ASP 123 N 5.80 0.00 -4.03 5.90 3.04 -1.65 0.92 116.42 126.40 1smp h ASP 123 Ca -0.29 -0.03 0.07 0.00 -3.24 0.00 0.00 57.03 53.55 1smp h ASP 123 Cb 1.19 0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 39.25 1smp h ASP 123 CO 0.49 0.01 0.51 0.00 -2.04 0.00 0.00 179.24 178.22 1smp s ARG 124 N -3.21 0.60 -0.18 4.15 1.70 -1.25 -4.59 118.95 116.17 1smp s ARG 124 Ca 0.06 0.22 -0.33 0.00 -0.47 0.00 0.00 55.73 55.21 1smp s ARG 124 Cb 0.08 0.29 -0.15 0.00 -0.57 0.00 0.00 34.95 34.60 1smp s ARG 124 CO 0.69 -0.17 0.99 -2.30 -1.08 0.00 0.00 175.30 173.42 1smp n PRO 125 N 0.96 0.00 -0.87 3.89 -0.02 -1.26 0.11 135.00 137.81 1smp n PRO 125 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1smp n PRO 125 Cb 0.58 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1smp n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smp n GLY 126 N 2.02 0.62 3.08 -1.23 0.00 -1.26 -4.97 105.19 103.46 1smp n GLY 126 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1smp n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1smp s HIS 127 N -2.81 3.41 0.14 1.61 3.76 0.12 -5.10 115.29 116.41 1smp s HIS 127 Ca 0.00 -2.41 -0.30 0.00 -0.15 0.00 0.00 55.06 52.20 1smp s HIS 127 Cb 0.00 -2.30 -0.07 0.00 1.11 0.00 0.00 32.58 31.32 1smp s HIS 127 CO 0.00 -0.89 1.20 0.71 -0.85 0.00 0.00 174.74 174.91 1smp s TYR 128 N 1.09 3.44 -0.53 1.40 2.02 -1.26 -1.91 117.35 121.60 1smp s TYR 128 Ca -0.02 1.37 -0.17 0.00 -0.37 0.00 0.00 57.07 57.88 1smp s TYR 128 Cb -0.20 -3.42 0.10 0.00 -0.40 0.00 0.00 41.96 38.04 1smp s TYR 128 CO -0.05 -1.23 0.52 0.34 -1.57 0.00 0.00 175.55 173.57 1smp s ASP 129 N 0.49 6.18 -0.05 2.29 -1.08 -0.16 -4.81 116.67 119.54 1smp s ASP 129 Ca 0.55 -1.52 0.19 0.00 -0.52 0.00 0.00 52.55 51.26 1smp s ASP 129 Cb -0.31 -2.23 0.64 0.00 -1.46 0.00 0.00 42.92 39.56 1smp s ASP 129 CO 0.33 -0.85 1.55 -1.22 0.52 0.00 0.00 175.17 175.50 1smp n TYR 130 N 5.52 1.14 -0.06 -5.34 4.01 -1.26 -4.57 117.16 116.60 1smp n TYR 130 Ca -0.12 -0.56 -0.06 0.00 -0.16 0.00 0.00 57.90 57.00 1smp n TYR 130 Cb 0.42 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.24 1smp n TYR 130 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1smp n GLY 131 N 1.26 -0.59 3.96 2.72 0.00 -1.26 -5.03 105.19 106.25 1smp n GLY 131 Ca 0.24 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1smp n GLY 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1smp s THR 132 N -2.29 2.51 0.03 2.61 -4.23 -1.26 -5.05 115.64 107.95 1smp s THR 132 Ca -0.06 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1smp s THR 132 Cb 0.04 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1smp s THR 132 CO 0.49 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 176.24 1smp n GLN 133 N -2.55 0.00 -3.67 3.99 -0.06 -1.26 -4.75 117.38 109.08 1smp n GLN 133 Ca 0.09 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.09 1smp n GLN 133 Cb 0.60 -0.46 -0.00 0.00 -4.06 0.00 0.00 30.24 26.31 1smp n GLN 133 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1smp s ALA 134 N -2.00 -2.16 0.09 1.69 0.00 -1.26 -0.95 121.76 117.18 1smp s ALA 134 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 1smp s ALA 134 Cb 0.00 0.44 0.08 0.00 0.00 0.00 0.00 23.12 23.64 1smp s ALA 134 CO 0.00 -1.06 0.91 1.52 0.00 0.00 0.00 175.76 177.13 1smp s TYR 135 N -2.51 -0.23 0.26 0.00 -0.85 -0.28 -5.00 117.35 108.73 1smp s TYR 135 Ca 0.15 -0.00 -0.19 0.00 -0.52 0.00 0.00 57.07 56.50 1smp s TYR 135 Cb 0.03 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.99 1smp s TYR 135 CO -0.03 -0.73 0.65 0.00 -1.52 0.00 0.00 175.55 173.93 1smp s ALA 136 N -3.25 -1.04 -0.08 9.51 0.00 -1.26 -0.63 121.76 125.01 1smp s ALA 136 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.75 1smp s ALA 136 Cb -0.01 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 1smp s ALA 136 CO -0.03 -0.97 -0.24 -0.06 0.00 0.00 0.00 175.76 174.47 1smp s PHE 137 N -3.92 2.43 0.80 0.00 0.08 -0.65 -4.95 117.98 111.76 1smp s PHE 137 Ca 0.12 -0.85 -0.11 0.00 0.12 0.00 0.00 56.93 56.21 1smp s PHE 137 Cb -0.04 -1.61 0.07 0.00 -0.57 0.00 0.00 43.02 40.87 1smp s PHE 137 CO 0.05 -0.31 1.12 -0.51 -0.10 0.00 0.00 175.22 175.47 1smp s LEU 138 N 0.09 3.04 0.73 -0.37 1.02 -1.26 -1.41 118.68 120.52 1smp s LEU 138 Ca -0.11 1.99 -0.16 0.00 0.02 0.00 0.00 54.13 55.88 1smp s LEU 138 Cb -0.16 -4.54 0.03 0.00 0.02 0.00 0.00 46.19 41.54 1smp s LEU 138 CO 0.06 -2.32 1.16 -0.81 0.02 0.00 0.00 176.35 174.46 1smp n PRO 139 N -3.54 0.57 -2.39 1.29 -0.04 -1.26 -3.13 135.00 126.50 1smp n PRO 139 Ca 0.10 0.26 -0.19 0.00 -0.04 0.00 0.00 63.50 63.63 1smp n PRO 139 Cb 0.52 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1smp n PRO 139 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1smp n ASN 140 N -2.35 -5.51 -4.48 3.54 3.02 -1.26 -4.80 115.26 103.42 1smp n ASN 140 Ca 0.14 -0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 1smp n ASN 140 Cb 0.49 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 1smp n ASN 140 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1smp s THR 141 N -2.96 4.40 -0.20 3.41 2.01 -1.18 -4.93 115.64 116.18 1smp s THR 141 Ca 0.01 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 1smp s THR 141 Cb -0.01 -4.81 -0.01 0.00 0.01 0.00 0.00 72.50 67.68 1smp s THR 141 CO 0.02 -1.59 0.84 -0.63 -0.69 0.00 0.00 174.62 172.57 1smp s ILE 142 N 3.70 4.85 -0.08 1.82 -1.09 -1.26 -0.08 121.20 129.06 1smp s ILE 142 Ca 0.32 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.35 1smp s ILE 142 Cb -0.08 -4.14 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1smp s ILE 142 CO -0.02 -0.03 0.00 0.86 -1.23 0.00 0.00 174.94 174.52 1smp s TRP 143 N 2.50 0.73 -1.35 3.97 -0.11 0.42 -4.85 118.94 120.24 1smp s TRP 143 Ca 0.37 -0.25 -0.01 0.00 1.22 0.00 0.00 56.10 57.43 1smp s TRP 143 Cb -0.16 -0.84 0.01 0.00 -1.50 0.00 0.00 33.47 30.98 1smp s TRP 143 CO 0.10 -0.36 0.65 1.04 -4.62 0.00 0.00 176.95 173.76 1smp n GLN 144 N 5.13 -4.55 -0.69 5.86 6.02 -1.26 -2.02 117.38 125.88 1smp n GLN 144 Ca -0.07 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1smp n GLN 144 Cb 0.50 -5.04 0.00 0.00 1.02 0.00 0.00 30.24 26.72 1smp n GLN 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1smp n GLY 145 N -1.68 1.59 3.18 1.08 0.00 -1.26 -5.01 105.19 103.09 1smp n GLY 145 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1smp n GLY 145 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1smp s GLN 146 N -0.01 0.93 -0.03 1.61 -2.07 -0.86 -5.13 119.66 114.11 1smp s GLN 146 Ca 0.00 -0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 52.35 1smp s GLN 146 Cb 0.00 -0.98 -0.03 0.00 -1.09 0.00 0.00 33.01 30.92 1smp s GLN 146 CO 0.00 0.23 1.02 0.34 -1.32 0.00 0.00 175.29 175.56 1smp s ASP 147 N -1.47 7.29 0.00 12.60 -1.08 -1.26 -0.44 116.67 132.31 1smp s ASP 147 Ca 0.01 1.66 0.09 0.00 -0.52 0.00 0.00 52.55 53.78 1smp s ASP 147 Cb -0.09 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 1smp s ASP 147 CO 0.02 -0.35 0.63 0.18 0.52 0.00 0.00 175.17 176.17 1smp n LEU 148 N 4.30 1.26 -4.67 -1.34 4.77 0.88 -4.96 117.00 117.23 1smp n LEU 148 Ca 0.07 -0.82 -0.45 0.00 -0.03 0.00 0.00 56.01 54.78 1smp n LEU 148 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1smp n LEU 148 CO 0.52 0.25 1.07 0.61 -1.33 0.00 0.00 177.39 178.51 1smp n GLY 149 N 0.76 0.88 0.74 -0.72 0.00 -1.25 -3.05 105.19 102.55 1smp n GLY 149 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1smp n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smp n GLY 150 N 2.49 0.70 3.75 -0.02 0.00 -0.50 -4.83 105.19 106.77 1smp n GLY 150 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1smp n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smp s GLN 151 N -0.75 4.64 -0.02 1.61 -0.21 -1.17 -1.72 119.66 122.04 1smp s GLN 151 Ca 0.00 1.29 0.04 0.00 0.02 0.00 0.00 55.36 56.71 1smp s GLN 151 Cb 0.00 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1smp s GLN 151 CO 0.00 0.36 -0.14 0.95 -2.12 0.00 0.00 175.29 174.35 1smp s THR 152 N -0.46 1.09 -0.01 -0.19 -4.23 -0.83 -1.64 115.64 109.36 1smp s THR 152 Ca 0.41 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1smp s THR 152 Cb -0.23 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 1smp s THR 152 CO 0.27 0.31 -0.12 0.26 -0.54 0.00 0.00 174.62 174.81 1smp s TRP 153 N -0.20 1.07 -0.00 3.99 0.52 0.20 -3.05 118.94 121.47 1smp s TRP 153 Ca 0.03 -0.22 0.04 0.00 0.02 0.00 0.00 56.10 55.97 1smp s TRP 153 Cb -0.07 -0.71 -0.01 0.00 -1.15 0.00 0.00 33.47 31.53 1smp s TRP 153 CO -0.00 -0.04 -0.14 0.71 0.02 0.00 0.00 176.95 177.50 1smp s TYR 154 N -0.16 1.23 -0.68 -1.98 1.51 -0.74 -1.13 117.35 115.39 1smp s TYR 154 Ca 0.02 -0.25 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 1smp s TYR 154 Cb -0.06 -0.78 0.05 0.00 -0.11 0.00 0.00 41.96 41.07 1smp s TYR 154 CO -0.00 -0.01 1.09 1.21 -1.11 0.00 0.00 175.55 176.73 1smp s ASN 155 N -0.47 6.19 0.00 2.29 3.84 -0.13 -1.28 114.94 125.38 1smp s ASN 155 Ca 0.05 -0.70 0.15 0.00 0.21 0.00 0.00 52.86 52.57 1smp s ASN 155 Cb -0.06 -2.48 0.90 0.00 -0.55 0.00 0.00 41.25 39.06 1smp s ASN 155 CO -0.00 -1.59 1.32 0.55 -2.79 0.00 0.00 177.10 174.59 1smp n VAL 156 N 6.15 0.02 0.39 -5.21 3.14 -0.87 -2.04 118.33 119.90 1smp n VAL 156 Ca -0.00 0.01 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 1smp n VAL 156 Cb 0.47 -0.77 0.36 0.00 -1.06 0.00 0.00 33.84 32.84 1smp n VAL 156 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1smp h ASN 157 N 0.00 0.00 -3.32 6.55 2.35 -1.87 -3.41 115.58 115.88 1smp h ASN 157 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1smp h ASN 157 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1smp h ASN 157 CO 0.00 0.00 0.35 -1.10 -1.65 0.00 0.00 177.43 175.03 1smp s GLN 158 N -3.25 4.33 0.30 0.81 -1.52 -0.87 -4.97 119.66 114.50 1smp s GLN 158 Ca 0.07 1.02 0.04 0.00 -1.95 0.00 0.00 55.36 54.53 1smp s GLN 158 Cb 0.09 -3.55 0.64 0.00 -0.22 0.00 0.00 33.01 29.97 1smp s GLN 158 CO 0.60 -0.26 1.82 0.66 -0.25 0.00 0.00 175.29 177.85 1smp h SER 159 N 7.23 0.86 0.53 5.90 4.64 -1.89 -0.68 113.55 130.13 1smp h SER 159 Ca -0.31 0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 1smp h SER 159 Cb 1.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1smp h SER 159 CO 0.82 0.41 -0.26 -0.55 -0.87 0.00 0.00 176.83 176.38 1smp h ASN 160 N 0.89 0.00 0.50 4.97 7.08 -1.92 0.42 115.58 127.53 1smp h ASN 160 Ca 0.52 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.51 1smp h ASN 160 Cb 0.65 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.89 1smp h ASN 160 CO -0.30 0.26 -1.01 0.58 -2.08 0.00 0.00 177.43 174.88 1smp h VAL 161 N 0.00 1.46 -0.02 6.14 2.07 -1.44 -2.31 116.25 122.15 1smp h VAL 161 Ca -0.00 -2.69 -0.19 0.00 0.82 0.00 0.00 66.70 64.64 1smp h VAL 161 Cb 0.59 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1smp h VAL 161 CO 0.03 0.79 -0.82 0.50 0.02 0.00 0.00 177.57 178.10 1smp h LYS 162 N 0.15 0.26 -2.20 1.57 3.64 -0.77 -3.36 116.57 115.86 1smp h LYS 162 Ca -0.08 -0.25 -0.57 0.00 -1.27 0.00 0.00 60.65 58.48 1smp h LYS 162 Cb 1.67 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 33.14 1smp h LYS 162 CO 0.17 0.94 -0.78 0.72 -2.27 0.00 0.00 179.45 178.23 1smp n HIS 163 N -3.73 2.95 0.14 1.91 8.25 0.14 -4.74 115.22 120.15 1smp n HIS 163 Ca -0.04 -3.96 0.14 0.00 -0.26 0.00 0.00 57.72 53.60 1smp n HIS 163 Cb 0.76 -0.48 0.67 0.00 1.12 0.00 0.00 29.99 32.07 1smp n HIS 163 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1smp h PRO 164 N 3.18 0.00 0.00 -0.41 0.13 -1.57 -2.02 132.00 131.32 1smp h PRO 164 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1smp h PRO 164 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1smp h PRO 164 CO 0.73 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.48 1smp h ALA 165 N 1.88 1.01 -0.00 -0.56 0.00 -1.87 -3.13 119.26 116.59 1smp h ALA 165 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1smp h ALA 165 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1smp h ALA 165 CO -0.00 0.03 -0.11 0.25 0.00 0.00 0.00 179.25 179.42 1smp n THR 166 N -3.14 0.00 -3.86 0.00 -2.24 -0.81 -4.89 114.28 99.35 1smp n THR 166 Ca 0.00 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 1smp n THR 166 Cb 0.30 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.42 1smp n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1smp s GLU 167 N -0.97 1.15 0.61 -0.78 2.02 -0.91 -5.01 118.70 114.81 1smp s GLU 167 Ca 0.03 -1.22 0.31 0.00 0.02 0.00 0.00 54.97 54.11 1smp s GLU 167 Cb 0.03 -2.47 1.74 0.00 0.10 0.00 0.00 34.13 33.53 1smp s GLU 167 CO 0.12 -0.85 2.09 0.38 0.02 0.00 0.00 175.26 177.02 1smp h ASP 168 N 7.94 0.00 0.07 -0.19 3.04 -1.89 -1.15 116.42 124.23 1smp h ASP 168 Ca -0.12 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.59 1smp h ASP 168 Cb 1.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.31 1smp h ASP 168 CO 0.46 0.00 -0.23 0.22 -2.04 0.00 0.00 179.24 177.65 1smp h TYR 169 N 0.00 0.31 -0.40 4.15 3.20 -1.89 -0.01 116.97 122.33 1smp h TYR 169 Ca 0.07 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 1smp h TYR 169 Cb 0.50 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1smp h TYR 169 CO 0.00 0.50 -0.23 0.78 -1.64 0.00 0.00 178.16 177.57 1smp h GLY 170 N 0.94 0.94 1.00 1.82 0.00 -1.33 0.71 103.07 107.15 1smp h GLY 170 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 46.45 1smp h GLY 170 CO 0.04 0.79 0.12 -0.09 0.00 0.00 0.00 176.54 177.39 1smp h ARG 171 N 0.67 0.88 -0.69 4.80 9.65 -1.42 -2.14 114.38 126.13 1smp h ARG 171 Ca 0.08 -0.22 -0.06 0.00 -1.10 0.00 0.00 59.98 58.68 1smp h ARG 171 Cb 0.80 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 1smp h ARG 171 CO 0.07 0.84 0.18 0.37 2.80 0.00 0.00 179.97 184.22 1smp h GLN 172 N 0.77 1.09 -0.99 0.20 4.15 -0.78 -2.58 115.11 116.98 1smp h GLN 172 Ca 0.17 -0.25 0.05 0.00 0.77 0.00 0.00 58.65 59.39 1smp h GLN 172 Cb 0.37 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1smp h GLN 172 CO 0.01 0.96 0.64 1.15 -1.93 0.00 0.00 178.83 179.65 1smp h THR 173 N 1.04 1.13 -0.32 2.39 2.02 -0.43 -0.56 112.91 118.19 1smp h THR 173 Ca 0.22 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1smp h THR 173 Cb 0.35 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1smp h THR 173 CO -0.00 0.22 0.12 -0.26 0.37 0.00 0.00 175.52 175.97 1smp h PHE 174 N 1.21 0.49 -0.67 3.16 -1.00 -1.03 -0.43 116.94 118.66 1smp h PHE 174 Ca 0.41 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 61.12 1smp h PHE 174 Cb 0.07 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 1smp h PHE 174 CO -0.00 0.47 0.30 1.15 -1.61 0.00 0.00 178.31 178.62 1smp h THR 175 N 0.36 1.23 0.53 -1.55 2.02 -1.09 -1.50 112.91 112.91 1smp h THR 175 Ca 0.10 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1smp h THR 175 Cb 0.20 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1smp h THR 175 CO -0.01 0.28 -0.25 -0.74 0.37 0.00 0.00 175.52 175.17 1smp h HIS 176 N 0.93 -0.66 -0.18 3.16 -0.00 -0.98 -0.78 115.15 116.65 1smp h HIS 176 Ca 0.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 1smp h HIS 176 Cb 0.15 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1smp h HIS 176 CO 0.01 -0.38 0.03 0.93 -0.00 0.00 0.00 177.93 178.52 1smp h GLU 177 N -0.77 0.25 -0.06 5.26 4.39 -1.03 -0.56 114.58 122.05 1smp h GLU 177 Ca -0.07 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1smp h GLU 177 Cb 0.57 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1smp h GLU 177 CO 0.12 0.25 -0.44 0.82 -1.16 0.00 0.00 179.01 178.60 1smp h ILE 178 N 0.25 1.32 -0.38 3.13 2.04 -1.11 -1.99 117.51 120.78 1smp h ILE 178 Ca 0.06 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.37 1smp h ILE 178 Cb 0.13 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1smp h ILE 178 CO -0.00 0.46 0.20 1.23 0.00 0.00 0.00 178.15 180.04 1smp h GLY 179 N 1.30 0.51 0.99 5.37 0.00 0.43 -1.00 103.07 110.67 1smp h GLY 179 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1smp h GLY 179 CO 0.06 0.12 0.02 0.45 0.00 0.00 0.00 176.54 177.20 1smp h HIS 180 N 0.41 0.05 -0.07 5.60 3.86 -1.15 -0.96 115.15 122.88 1smp h HIS 180 Ca 0.15 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1smp h HIS 180 Cb 0.04 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 1smp h HIS 180 CO -0.09 0.04 0.12 0.00 0.86 0.00 0.00 177.93 178.86 1smp h ALA 181 N 1.01 1.47 0.00 2.45 0.00 -0.97 0.43 119.26 123.65 1smp h ALA 181 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1smp h ALA 181 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1smp h ALA 181 CO -0.00 -0.15 -0.85 -0.07 0.00 0.00 0.00 179.25 178.18 1smp h LEU 182 N 0.00 0.00 0.00 0.00 3.38 -0.36 -3.35 115.31 114.97 1smp h LEU 182 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smp h LEU 182 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1smp h LEU 182 CO -0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1smp n GLY 183 N 1.19 -0.00 3.87 0.83 0.00 0.14 -4.49 105.19 106.73 1smp n GLY 183 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1smp n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smp s LEU 184 N 0.00 4.03 0.47 0.99 1.43 -0.44 -4.68 118.68 120.48 1smp s LEU 184 Ca 0.00 1.05 0.04 0.00 -1.03 0.00 0.00 54.13 54.19 1smp s LEU 184 Cb 0.00 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 1smp s LEU 184 CO 0.00 -0.22 0.10 -0.44 0.23 0.00 0.00 176.35 176.02 1smp s SER 185 N -2.67 4.21 0.63 2.29 0.01 -0.20 -3.89 113.70 114.08 1smp s SER 185 Ca 0.50 -1.41 -0.16 0.00 1.31 0.00 0.00 55.95 56.19 1smp s SER 185 Cb -0.11 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1smp s SER 185 CO 0.24 -0.73 1.12 -1.00 0.41 0.00 0.00 173.24 173.28 1smp s HIS 186 N -2.76 2.61 -1.46 2.43 0.09 -1.26 -4.86 115.29 110.07 1smp s HIS 186 Ca 0.24 1.55 0.13 0.00 -0.00 0.00 0.00 55.06 56.98 1smp s HIS 186 Cb 0.04 -3.22 0.67 0.00 -0.00 0.00 0.00 32.58 30.07 1smp s HIS 186 CO 0.13 -1.71 1.33 -2.30 -0.00 0.00 0.00 174.74 172.20 1smp n PRO 187 N -2.11 0.20 -4.21 8.40 -0.02 -1.26 -4.73 135.00 131.27 1smp n PRO 187 Ca 0.11 0.15 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1smp n PRO 187 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.40 1smp n PRO 187 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1smp s GLY 188 N -2.54 1.61 -1.08 -1.23 0.00 -1.26 -4.58 107.32 98.24 1smp s GLY 188 Ca 0.13 -1.76 -0.13 0.00 0.00 0.00 0.00 44.72 42.96 1smp s GLY 188 CO 0.20 -1.39 1.20 0.99 0.00 0.00 0.00 173.10 174.10 1smp s ASP 189 N -3.20 7.02 0.11 1.64 1.01 -1.26 -4.93 116.67 117.05 1smp s ASP 189 Ca 0.39 -2.94 -0.10 0.00 0.71 0.00 0.00 52.55 50.61 1smp s ASP 189 Cb 0.06 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1smp s ASP 189 CO 0.15 -0.66 0.26 -0.72 0.21 0.00 0.00 175.17 174.41 1smp s TYR 190 N 0.84 0.13 -0.14 4.23 -0.85 -1.26 -5.01 117.35 115.29 1smp s TYR 190 Ca 0.34 -0.53 -0.18 0.00 -0.52 0.00 0.00 57.07 56.19 1smp s TYR 190 Cb -0.06 0.01 0.04 0.00 0.38 0.00 0.00 41.96 42.34 1smp s TYR 190 CO -0.05 -0.62 0.47 1.21 -1.52 0.00 0.00 175.55 175.04 1smp s ASN 191 N -2.87 -0.46 0.28 -0.18 2.47 -1.26 -4.91 114.94 108.00 1smp s ASN 191 Ca 0.07 0.79 -0.30 0.00 0.42 0.00 0.00 52.86 53.85 1smp s ASN 191 Cb 0.04 0.83 -0.12 0.00 -1.45 0.00 0.00 41.25 40.54 1smp s ASN 191 CO -0.09 -0.25 1.51 0.00 -3.72 0.00 0.00 177.10 174.55 1smp n ALA 192 N 2.39 2.01 0.00 1.71 0.00 -1.26 -1.85 120.51 123.51 1smp n ALA 192 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1smp n ALA 192 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1smp n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smp n GLY 193 N 2.01 2.73 3.52 0.00 0.00 -1.26 -4.90 105.19 107.30 1smp n GLY 193 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1smp n GLY 193 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smp n GLU 194 N -1.93 3.24 0.00 1.61 -0.58 -0.77 -4.85 120.64 117.35 1smp n GLU 194 Ca 0.00 -3.41 0.00 0.00 -0.42 0.00 0.00 57.16 53.33 1smp n GLU 194 Cb 0.00 -3.38 0.00 0.00 -0.57 0.00 0.00 31.44 27.49 1smp n GLU 194 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1smp n GLY 195 N 5.02 -0.12 2.84 0.62 0.00 -1.26 -4.35 105.19 107.93 1smp n GLY 195 Ca 0.46 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1smp n GLY 195 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1smp n ASN 196 N 1.60 3.80 -4.76 1.61 5.15 -1.26 -5.07 115.26 116.32 1smp n ASN 196 Ca 0.00 -3.27 -0.40 0.00 -0.60 0.00 0.00 54.58 50.32 1smp n ASN 196 Cb 0.00 -0.85 -0.05 0.00 -0.53 0.00 0.00 39.78 38.35 1smp n ASN 196 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1smp s PRO 197 N -1.81 4.63 0.28 1.20 0.04 -1.26 -5.03 135.00 133.04 1smp s PRO 197 Ca 0.30 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1smp s PRO 197 Cb 0.01 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1smp s PRO 197 CO -0.10 0.23 0.18 0.95 0.04 0.00 0.00 177.00 178.30 1smp s THR 198 N -1.23 0.15 0.65 1.26 -4.23 -1.26 -5.01 115.64 105.98 1smp s THR 198 Ca 0.45 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.29 1smp s THR 198 Cb -0.30 -2.51 0.35 0.00 1.34 0.00 0.00 72.50 71.38 1smp s THR 198 CO 0.38 0.00 2.05 0.22 -0.54 0.00 0.00 174.62 176.72 1smp h TYR 199 N 2.32 0.00 0.00 3.99 3.20 -1.97 0.24 116.97 124.76 1smp h TYR 199 Ca -0.32 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1smp h TYR 199 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1smp h TYR 199 CO 0.98 0.00 0.00 -0.91 -1.64 0.00 0.00 178.16 176.59 1smp h ASN 200 N 0.00 0.00 -0.26 -2.11 2.35 -1.98 -2.59 115.58 110.99 1smp h ASN 200 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1smp h ASN 200 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1smp h ASN 200 CO -0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1smp n ASP 201 N -2.56 1.95 -4.81 5.81 8.00 0.07 -4.95 116.55 120.06 1smp n ASP 201 Ca 0.00 -1.83 -0.33 0.00 0.71 0.00 0.00 54.79 53.35 1smp n ASP 201 Cb 0.19 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1smp n ASP 201 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1smp s VAL 202 N -1.67 3.93 -0.03 2.53 -7.23 -0.98 -4.47 120.40 112.49 1smp s VAL 202 Ca 0.31 0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 61.30 1smp s VAL 202 Cb 0.17 -3.44 -0.30 0.00 0.56 0.00 0.00 36.38 33.37 1smp s VAL 202 CO 0.24 -0.55 0.74 0.74 -0.31 0.00 0.00 175.10 175.95 1smp h THR 203 N 0.45 1.01 -3.84 5.32 2.02 -1.91 -3.48 112.91 112.48 1smp h THR 203 Ca -0.47 -2.61 -0.34 0.00 0.77 0.00 0.00 66.41 63.76 1smp h THR 203 Cb 1.21 2.76 -0.20 0.00 -1.74 0.00 0.00 68.15 70.19 1smp h THR 203 CO 0.58 0.84 -0.75 -0.72 0.37 0.00 0.00 175.52 175.84 1smp s TYR 204 N -2.59 1.04 0.42 3.16 1.13 -1.26 -4.28 117.35 114.95 1smp s TYR 204 Ca -0.13 -0.56 0.11 0.00 -1.41 0.00 0.00 57.07 55.07 1smp s TYR 204 Cb 0.06 -0.58 0.94 0.00 -1.10 0.00 0.00 41.96 41.28 1smp s TYR 204 CO 0.85 0.00 1.99 0.00 -2.51 0.00 0.00 175.55 175.88 1smp h ALA 205 N 3.96 1.90 0.00 9.51 0.00 -0.97 -2.89 119.26 130.78 1smp h ALA 205 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1smp h ALA 205 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1smp h ALA 205 CO 0.47 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 180.09 1smp n GLU 206 N -4.48 0.80 -2.28 0.00 4.71 -1.26 -4.49 120.64 113.65 1smp n GLU 206 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.81 1smp n GLU 206 Cb 0.30 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 1smp n GLU 206 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1smp n ASP 207 N -0.22 4.74 -4.16 1.62 -0.08 -1.09 -4.50 116.55 112.85 1smp n ASP 207 Ca 0.00 -2.99 -0.11 0.00 -1.51 0.00 0.00 54.79 50.18 1smp n ASP 207 Cb 0.09 -1.58 -0.09 0.00 2.34 0.00 0.00 41.12 41.88 1smp n ASP 207 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1smp s THR 208 N 1.81 0.01 -1.03 5.18 -4.23 -1.26 -4.58 115.64 111.54 1smp s THR 208 Ca 0.44 -1.91 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1smp s THR 208 Cb 0.08 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.63 1smp s THR 208 CO -0.01 -0.06 1.36 0.54 -0.54 0.00 0.00 174.62 175.90 1smp n ARG 209 N -0.26 0.01 0.09 3.99 1.74 0.13 -1.89 116.66 120.47 1smp n ARG 209 Ca 0.00 0.29 -0.05 0.00 -0.77 0.00 0.00 57.85 57.33 1smp n ARG 209 Cb 0.65 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.71 1smp n ARG 209 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1smp h GLN 210 N 0.00 0.19 0.00 5.56 4.15 -1.84 -3.36 115.11 119.81 1smp h GLN 210 Ca 0.00 -0.14 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 1smp h GLN 210 Cb 0.19 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1smp h GLN 210 CO 0.00 0.76 -1.82 1.19 -1.93 0.00 0.00 178.83 177.04 1smp n PHE 211 N -3.83 0.00 -3.69 3.99 3.01 -0.81 -4.75 117.46 111.37 1smp n PHE 211 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 1smp n PHE 211 Cb 0.64 -0.52 -0.09 0.00 -0.01 0.00 0.00 39.48 39.50 1smp n PHE 211 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1smp s SER 212 N -4.23 -0.55 0.00 4.37 0.15 -0.79 -1.12 113.70 111.52 1smp s SER 212 Ca -0.06 1.05 0.23 0.00 0.70 0.00 0.00 55.95 57.87 1smp s SER 212 Cb 0.06 1.05 0.99 0.00 -1.71 0.00 0.00 66.02 66.42 1smp s SER 212 CO 0.58 -0.18 1.69 0.00 1.20 0.00 0.00 173.24 176.53 1smp n LEU 213 N 2.95 1.19 -0.04 3.45 -0.00 -1.26 -3.13 117.00 120.15 1smp n LEU 213 Ca -0.14 -0.46 0.13 0.00 -0.00 0.00 0.00 56.01 55.53 1smp n LEU 213 Cb 0.56 -0.05 0.43 0.00 -0.00 0.00 0.00 43.42 44.36 1smp n LEU 213 CO 0.09 0.23 0.69 0.23 -0.00 0.00 0.00 177.39 178.63 1smp n MET 214 N -0.03 0.20 -2.80 1.47 2.81 -1.26 -4.73 117.12 112.79 1smp n MET 214 Ca 0.17 -0.09 -0.29 0.00 -1.81 0.00 0.00 57.70 55.69 1smp n MET 214 Cb 0.27 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 1smp n MET 214 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1smp s SER 215 N -2.86 6.42 -0.01 7.83 0.15 -1.18 -4.28 113.70 119.76 1smp s SER 215 Ca 0.16 1.03 0.21 0.00 0.70 0.00 0.00 55.95 58.06 1smp s SER 215 Cb 0.19 -2.29 -0.28 0.00 -1.71 0.00 0.00 66.02 61.93 1smp s SER 215 CO 0.60 -0.45 0.69 -1.22 1.20 0.00 0.00 173.24 174.05 1smp n TYR 216 N -1.63 0.00 -3.54 3.44 4.02 -1.26 -4.77 117.16 113.42 1smp n TYR 216 Ca 0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.55 1smp n TYR 216 Cb 0.54 -0.25 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 1smp n TYR 216 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1smp s TRP 217 N -3.25 3.61 0.27 -0.72 0.52 -1.26 -4.95 118.94 113.15 1smp s TRP 217 Ca 0.00 0.85 -0.30 0.00 0.02 0.00 0.00 56.10 56.67 1smp s TRP 217 Cb 0.15 -2.20 -0.14 0.00 -1.15 0.00 0.00 33.47 30.13 1smp s TRP 217 CO 0.89 0.53 1.23 0.45 0.02 0.00 0.00 176.95 180.07 1smp n SER 218 N 1.06 2.17 0.30 2.95 2.88 -1.26 0.21 113.62 121.92 1smp n SER 218 Ca -0.09 1.17 0.17 0.00 -1.33 0.00 0.00 58.87 58.79 1smp n SER 218 Cb 0.52 -1.38 0.92 0.00 -0.75 0.00 0.00 64.21 63.52 1smp n SER 218 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1smp h GLU 219 N 3.03 0.00 0.00 -1.46 9.09 -1.88 -1.96 114.58 121.40 1smp h GLU 219 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1smp h GLU 219 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1smp h GLU 219 CO 0.67 0.04 0.00 1.79 0.05 0.00 0.00 179.01 181.56 1smp h THR 220 N 0.00 0.00 0.00 -1.06 1.35 -1.88 -1.02 112.91 110.30 1smp h THR 220 Ca -0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.63 1smp h THR 220 Cb 0.17 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1smp h THR 220 CO 0.01 0.00 -0.16 0.78 -0.25 0.00 0.00 175.52 175.89 1smp h ASN 221 N 0.00 0.00 -0.16 5.36 2.35 -1.66 -2.28 115.58 119.20 1smp h ASN 221 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1smp h ASN 221 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1smp h ASN 221 CO 0.00 0.16 0.00 0.35 -1.65 0.00 0.00 177.43 176.29 1smp n THR 222 N -4.28 0.29 0.00 2.81 -2.24 -0.96 -4.97 114.28 104.94 1smp n THR 222 Ca -0.02 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1smp n THR 222 Cb 0.23 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1smp n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smp n GLY 223 N 0.90 0.57 3.76 3.38 0.00 -0.86 -5.04 105.19 107.90 1smp n GLY 223 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1smp n GLY 223 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smp s GLY 224 N -1.39 1.58 -0.30 -0.02 0.00 -0.43 -4.79 107.32 101.98 1smp s GLY 224 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.14 1smp s GLY 224 CO 0.00 0.04 0.63 -0.35 0.00 0.00 0.00 173.10 173.42 1smp s ASP 225 N -3.95 -1.34 -0.22 1.64 2.15 -0.43 -3.35 116.67 111.17 1smp s ASP 225 Ca 0.65 0.84 0.15 0.00 0.43 0.00 0.00 52.55 54.62 1smp s ASP 225 Cb -0.15 2.12 0.70 0.00 -0.30 0.00 0.00 42.92 45.29 1smp s ASP 225 CO 0.54 -0.25 1.62 0.59 -0.17 0.00 0.00 175.17 177.50 1smp n ASN 226 N 5.43 4.92 -1.61 -0.34 3.02 -1.26 -0.99 115.26 124.43 1smp n ASN 226 Ca -0.01 -2.99 -0.15 0.00 -0.03 0.00 0.00 54.58 51.39 1smp n ASN 226 Cb 0.51 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1smp n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1smp n GLY 227 N 0.10 1.15 0.33 7.41 0.00 -1.26 -1.01 105.19 111.91 1smp n GLY 227 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1smp n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smp n GLY 228 N -0.38 0.89 3.84 -0.02 0.00 -1.26 -5.08 105.19 103.19 1smp n GLY 228 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1smp n GLY 228 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1smp s HIS 229 N -2.02 2.85 -0.05 1.61 4.02 -0.18 -5.02 115.29 116.50 1smp s HIS 229 Ca 0.00 -0.34 0.02 0.00 1.02 0.00 0.00 55.06 55.76 1smp s HIS 229 Cb 0.00 -1.83 0.01 0.00 -1.02 0.00 0.00 32.58 29.74 1smp s HIS 229 CO 0.00 0.16 -0.10 0.71 1.02 0.00 0.00 174.74 176.53 1smp s TYR 230 N -2.34 1.13 0.52 1.40 2.02 -1.26 -4.76 117.35 114.06 1smp s TYR 230 Ca 0.42 -0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 56.55 1smp s TYR 230 Cb -0.05 -0.85 -0.07 0.00 -0.40 0.00 0.00 41.96 40.59 1smp s TYR 230 CO 0.26 -0.19 1.10 0.00 -1.57 0.00 0.00 175.55 175.15 1smp n ALA 231 N 3.66 0.62 -0.03 3.71 0.00 -1.26 -4.83 120.51 122.38 1smp n ALA 231 Ca -0.22 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1smp n ALA 231 Cb 0.52 -2.17 -0.16 0.00 0.00 0.00 0.00 19.45 17.63 1smp n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smp n ALA 232 N -1.08 2.54 -2.49 0.00 0.00 -1.26 -4.41 120.51 113.81 1smp n ALA 232 Ca 0.11 -0.67 -0.24 0.00 0.00 0.00 0.00 53.44 52.65 1smp n ALA 232 Cb 0.44 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 1smp n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smp s ALA 233 N -3.29 2.66 0.03 0.00 0.00 -1.26 -4.72 121.76 115.18 1smp s ALA 233 Ca -0.08 -2.02 -0.37 0.00 0.00 0.00 0.00 51.96 49.48 1smp s ALA 233 Cb 0.12 0.13 -0.16 0.00 0.00 0.00 0.00 23.12 23.21 1smp s ALA 233 CO 0.88 -0.03 1.44 -0.35 0.00 0.00 0.00 175.76 177.70 1smp n PRO 234 N -0.71 1.29 -2.04 0.00 -0.04 -1.26 -4.90 135.00 127.35 1smp n PRO 234 Ca -0.05 0.47 -0.25 0.00 -0.04 0.00 0.00 63.50 63.62 1smp n PRO 234 Cb 0.64 -2.14 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1smp n PRO 234 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1smp n LEU 235 N 3.18 0.00 -0.25 1.53 4.77 -1.26 -4.42 117.00 120.55 1smp n LEU 235 Ca 0.20 -1.61 -0.10 0.00 -0.03 0.00 0.00 56.01 54.47 1smp n LEU 235 Cb 0.20 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 1smp n LEU 235 CO 0.65 -1.23 0.53 0.25 -1.33 0.00 0.00 177.39 176.27 1smp h LEU 236 N 0.00 -1.73 -1.23 2.23 5.85 -1.85 -0.51 115.31 118.07 1smp h LEU 236 Ca -0.37 0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1smp h LEU 236 Cb 1.13 0.77 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 1smp h LEU 236 CO 0.30 -0.33 -0.24 0.44 -0.34 0.00 0.00 178.44 178.28 1smp h ASP 237 N -0.20 0.00 -0.32 1.25 3.32 -1.47 -2.84 116.42 116.16 1smp h ASP 237 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1smp h ASP 237 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1smp h ASP 237 CO -0.75 0.24 -0.01 0.44 -1.72 0.00 0.00 179.24 177.45 1smp h ASP 238 N 0.00 0.57 -0.74 6.45 3.32 -1.30 -1.20 116.42 123.52 1smp h ASP 238 Ca -0.00 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.75 1smp h ASP 238 Cb 0.70 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1smp h ASP 238 CO 0.03 0.75 0.48 0.40 -1.72 0.00 0.00 179.24 179.18 1smp h ILE 239 N 0.37 1.17 -0.42 0.35 2.04 -0.92 -0.02 117.51 120.08 1smp h ILE 239 Ca 0.09 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1smp h ILE 239 Cb 0.46 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1smp h ILE 239 CO 0.02 0.18 0.16 0.00 0.00 0.00 0.00 178.15 178.51 1smp h ALA 240 N 1.28 0.54 0.24 1.87 0.00 -1.31 -0.52 119.26 121.37 1smp h ALA 240 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1smp h ALA 240 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1smp h ALA 240 CO -0.07 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.21 1smp h ALA 241 N 1.01 -0.32 -0.18 0.00 0.00 -0.67 -2.32 119.26 116.78 1smp h ALA 241 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1smp h ALA 241 Cb 0.20 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1smp h ALA 241 CO -0.01 -0.66 -0.35 0.97 0.00 0.00 0.00 179.25 179.20 1smp h ILE 242 N -0.38 1.29 0.00 0.00 6.09 -0.96 -2.31 117.51 121.24 1smp h ILE 242 Ca -0.03 -1.44 -0.08 0.00 -1.37 0.00 0.00 64.86 61.94 1smp h ILE 242 Cb 0.29 1.54 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 1smp h ILE 242 CO 0.05 0.44 -0.38 1.56 -3.07 0.00 0.00 178.15 176.75 1smp h GLN 243 N 0.33 0.00 -0.51 2.19 4.20 -1.06 -1.66 115.11 118.59 1smp h GLN 243 Ca 0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1smp h GLN 243 Cb 0.78 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1smp h GLN 243 CO 0.06 0.38 -0.09 1.25 -0.67 0.00 0.00 178.83 179.76 1smp h HIS 244 N 0.00 1.08 -0.09 2.96 2.76 -0.86 0.25 115.15 121.25 1smp h HIS 244 Ca -0.00 -0.22 -0.07 0.00 -2.20 0.00 0.00 60.37 57.88 1smp h HIS 244 Cb 0.79 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1smp h HIS 244 CO 0.00 1.02 -0.20 -0.07 -1.30 0.00 0.00 177.93 177.37 1smp h LEU 245 N 0.83 0.33 -2.59 0.26 3.38 -1.17 -2.38 115.31 113.96 1smp h LEU 245 Ca 0.13 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1smp h LEU 245 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1smp h LEU 245 CO 0.04 0.85 -0.01 -1.22 0.09 0.00 0.00 178.44 178.19 1smp n TYR 246 N -4.53 0.00 0.00 1.13 4.01 -0.67 -0.44 117.16 116.66 1smp n TYR 246 Ca -0.08 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1smp n TYR 246 Cb 0.42 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1smp n TYR 246 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1smp n GLY 247 N -0.49 -1.04 3.74 2.72 0.00 0.88 -3.30 105.19 107.70 1smp n GLY 247 Ca 0.02 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1smp n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smp s ALA 248 N -3.11 3.30 -0.77 4.61 0.00 -1.26 -2.02 121.76 122.52 1smp s ALA 248 Ca 0.00 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1smp s ALA 248 Cb 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.98 1smp s ALA 248 CO 0.00 0.05 1.20 1.21 0.00 0.00 0.00 175.76 178.23 1smp s ASN 249 N -0.29 6.25 -0.00 0.00 3.84 -0.35 -4.62 114.94 119.76 1smp s ASN 249 Ca 0.43 -0.87 0.01 0.00 0.21 0.00 0.00 52.86 52.65 1smp s ASN 249 Cb -0.23 -2.51 0.04 0.00 -0.55 0.00 0.00 41.25 38.00 1smp s ASN 249 CO 0.29 -1.62 0.97 0.18 -2.79 0.00 0.00 177.10 174.12 1smp n LEU 250 N 8.63 0.37 -0.32 3.21 4.77 -1.26 -3.02 117.00 129.38 1smp n LEU 250 Ca 0.07 -0.19 0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1smp n LEU 250 Cb 0.48 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1smp n LEU 250 CO 0.67 0.09 0.24 -1.20 -1.33 0.00 0.00 177.39 175.86 1smp n SER 251 N -0.32 1.49 -4.70 -1.43 7.64 -1.26 -4.83 113.62 110.21 1smp n SER 251 Ca 0.01 -1.24 -0.42 0.00 1.01 0.00 0.00 58.87 58.23 1smp n SER 251 Cb 0.07 0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1smp n SER 251 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1smp s THR 252 N -1.72 4.36 -1.33 0.44 2.01 -1.17 -4.18 115.64 114.06 1smp s THR 252 Ca 0.12 1.68 -0.24 0.00 0.31 0.00 0.00 61.69 63.56 1smp s THR 252 Cb 0.11 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1smp s THR 252 CO 0.35 0.06 0.45 0.54 -0.69 0.00 0.00 174.62 175.34 1smp n ARG 253 N 4.55 -0.46 0.00 4.92 1.74 -1.26 -0.61 116.66 125.53 1smp n ARG 253 Ca 0.09 0.07 0.14 0.00 -0.77 0.00 0.00 57.85 57.38 1smp n ARG 253 Cb 0.47 -2.84 0.85 0.00 -1.02 0.00 0.00 32.46 29.92 1smp n ARG 253 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1smp n THR 254 N -4.93 0.00 -2.23 0.55 -2.24 -1.26 -3.63 114.28 100.54 1smp n THR 254 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1smp n THR 254 Cb 0.61 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1smp n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smp n GLY 255 N 0.89 1.22 3.56 3.38 0.00 -1.24 -2.94 105.19 110.06 1smp n GLY 255 Ca 0.22 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1smp n GLY 255 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smp s ASP 256 N -1.00 6.38 -0.06 1.61 1.11 -1.26 -4.01 116.67 119.43 1smp s ASP 256 Ca 0.00 -0.12 -0.03 0.00 0.18 0.00 0.00 52.55 52.59 1smp s ASP 256 Cb 0.00 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1smp s ASP 256 CO 0.00 -1.44 0.07 -0.89 1.18 0.00 0.00 175.17 174.09 1smp s THR 257 N 4.70 4.79 -0.12 -1.27 2.01 -1.24 -4.91 115.64 119.59 1smp s THR 257 Ca 0.38 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1smp s THR 257 Cb -0.09 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1smp s THR 257 CO 0.22 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.80 1smp s VAL 258 N -1.05 2.72 0.06 3.82 1.01 -1.26 -0.67 120.40 125.03 1smp s VAL 258 Ca 0.18 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1smp s VAL 258 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1smp s VAL 258 CO 0.07 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.31 1smp s TYR 259 N 0.41 2.78 0.00 5.22 1.51 -0.00 -2.77 117.35 124.50 1smp s TYR 259 Ca -0.13 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1smp s TYR 259 Cb -0.16 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1smp s TYR 259 CO 0.06 0.39 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 1smp n GLY 260 N 1.07 1.20 3.82 0.71 0.00 0.03 -0.76 105.19 111.25 1smp n GLY 260 Ca -0.14 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1smp n GLY 260 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1smp s PHE 261 N 0.00 3.25 -1.43 1.61 0.40 0.01 -1.71 117.98 120.11 1smp s PHE 261 Ca 0.00 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 57.78 1smp s PHE 261 Cb 0.00 -2.90 0.06 0.00 0.51 0.00 0.00 43.02 40.70 1smp s PHE 261 CO 0.00 -0.44 0.68 0.09 0.70 0.00 0.00 175.22 176.25 1smp n ASN 262 N -1.11 -4.57 -4.78 1.36 5.03 -1.26 -4.66 115.26 105.26 1smp n ASN 262 Ca 0.08 -0.50 -0.35 0.00 0.87 0.00 0.00 54.58 54.67 1smp n ASN 262 Cb 0.54 -3.71 -0.01 0.00 -1.02 0.00 0.00 39.78 35.57 1smp n ASN 262 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1smp s SER 263 N -2.91 6.02 -0.18 6.41 0.15 -1.24 -4.80 113.70 117.16 1smp s SER 263 Ca 0.47 2.12 0.14 0.00 0.70 0.00 0.00 55.95 59.38 1smp s SER 263 Cb -0.24 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 61.92 1smp s SER 263 CO 0.58 -1.01 1.21 -0.46 1.20 0.00 0.00 173.24 174.76 1smp n ASN 264 N -1.02 1.73 -0.00 5.45 6.94 -1.12 -4.71 115.26 122.53 1smp n ASN 264 Ca 0.10 -3.55 -0.12 0.00 -0.02 0.00 0.00 54.58 50.99 1smp n ASN 264 Cb 0.51 -0.48 -0.14 0.00 -2.36 0.00 0.00 39.78 37.31 1smp n ASN 264 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1smp h THR 265 N 2.14 0.89 -2.22 5.53 1.35 -1.93 -3.46 112.91 115.22 1smp h THR 265 Ca -0.02 -2.69 -0.23 0.00 -0.55 0.00 0.00 66.41 62.92 1smp h THR 265 Cb 1.18 2.50 0.01 0.00 -1.73 0.00 0.00 68.15 70.11 1smp h THR 265 CO 0.05 0.63 -0.32 0.61 -0.25 0.00 0.00 175.52 176.24 1smp n GLY 266 N 1.64 -0.05 3.00 5.82 0.00 -1.26 -5.00 105.19 109.33 1smp n GLY 266 Ca -0.19 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1smp n GLY 266 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smp s ARG 267 N -4.89 1.72 0.40 1.61 1.81 -1.26 -5.04 118.95 113.30 1smp s ARG 267 Ca 0.09 -0.39 0.10 0.00 -1.72 0.00 0.00 55.73 53.81 1smp s ARG 267 Cb -0.04 -1.51 0.83 0.00 -0.45 0.00 0.00 34.95 33.78 1smp s ARG 267 CO 0.11 -0.06 1.95 0.38 -0.68 0.00 0.00 175.30 177.00 1smp h ASP 268 N 7.34 0.24 1.60 0.23 2.03 -1.94 -2.73 116.42 123.18 1smp h ASP 268 Ca -0.31 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 1smp h ASP 268 Cb 1.17 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1smp h ASP 268 CO 0.46 0.35 -0.05 2.19 -1.03 0.00 0.00 179.24 181.15 1smp h PHE 269 N 0.25 0.00 -0.70 4.15 -0.00 -1.96 -3.18 116.94 115.50 1smp h PHE 269 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.02 1smp h PHE 269 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.24 1smp h PHE 269 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.59 1smp n LEU 270 N -2.52 4.25 -4.10 2.10 4.77 -1.04 -4.35 117.00 116.11 1smp n LEU 270 Ca 0.05 -2.16 -0.11 0.00 -0.03 0.00 0.00 56.01 53.76 1smp n LEU 270 Cb 0.46 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1smp n LEU 270 CO 0.32 0.93 -0.39 -0.44 -1.33 0.00 0.00 177.39 176.48 1smp s SER 271 N -0.97 0.87 0.02 -1.43 0.01 -1.19 -0.79 113.70 110.21 1smp s SER 271 Ca 0.50 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 1smp s SER 271 Cb 0.28 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1smp s SER 271 CO 0.30 -0.35 0.24 0.28 0.41 0.00 0.00 173.24 174.13 1smp s THR 272 N -2.46 0.08 0.00 1.44 -1.32 -0.70 -4.90 115.64 107.79 1smp s THR 272 Ca -0.01 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1smp s THR 272 Cb -0.03 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1smp s THR 272 CO -0.03 -0.38 0.46 0.35 -2.21 0.00 0.00 174.62 172.82 1smp n THR 273 N 0.97 0.13 -3.70 5.08 -2.24 -1.26 -4.21 114.28 109.05 1smp n THR 273 Ca -0.20 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1smp n THR 273 Cb 0.57 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 1smp n THR 273 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1smp s SER 274 N -0.13 -0.26 0.47 3.42 1.04 -1.26 -5.01 113.70 111.96 1smp s SER 274 Ca 0.00 -0.42 0.15 0.00 0.48 0.00 0.00 55.95 56.16 1smp s SER 274 Cb 0.00 0.55 1.07 0.00 0.10 0.00 0.00 66.02 67.74 1smp s SER 274 CO 0.00 -0.99 2.04 -1.13 0.98 0.00 0.00 173.24 174.14 1smp h ASN 275 N 2.24 0.02 1.41 7.02 -1.24 -1.99 -2.33 115.58 120.72 1smp h ASN 275 Ca -0.31 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1smp h ASN 275 Cb 1.26 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 1smp h ASN 275 CO 0.40 0.14 0.00 0.28 -1.29 0.00 0.00 177.43 176.96 1smp h SER 276 N 0.02 0.00 -2.97 1.15 0.02 -1.95 -3.40 113.55 106.42 1smp h SER 276 Ca 0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 1smp h SER 276 Cb 0.22 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.55 1smp h SER 276 CO 0.02 0.00 0.06 -1.58 -1.14 0.00 0.00 176.83 174.19 1smp s GLN 277 N -3.19 3.07 0.41 3.45 0.74 -0.88 -5.04 119.66 118.23 1smp s GLN 277 Ca 0.08 -1.47 -0.21 0.00 0.05 0.00 0.00 55.36 53.81 1smp s GLN 277 Cb 0.10 -4.30 -0.11 0.00 1.10 0.00 0.00 33.01 29.81 1smp s GLN 277 CO 0.57 -1.49 0.94 0.15 -0.55 0.00 0.00 175.29 174.91 1smp s LYS 278 N 2.33 4.27 0.15 1.67 -0.14 -1.26 -4.70 119.74 122.06 1smp s LYS 278 Ca 0.10 1.13 0.06 0.00 -1.36 0.00 0.00 55.97 55.91 1smp s LYS 278 Cb -0.24 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 1smp s LYS 278 CO 0.04 0.03 0.01 0.14 -0.76 0.00 0.00 175.35 174.81 1smp s VAL 279 N -2.08 3.87 -0.21 3.17 -7.23 -1.26 -5.03 120.40 111.63 1smp s VAL 279 Ca 0.60 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1smp s VAL 279 Cb -0.11 -2.91 0.10 0.00 0.56 0.00 0.00 36.38 34.03 1smp s VAL 279 CO 0.15 -0.04 0.30 -0.63 -0.31 0.00 0.00 175.10 174.57 1smp s ILE 280 N -1.59 -0.46 0.14 -0.62 1.01 -1.26 -4.79 121.20 113.62 1smp s ILE 280 Ca 0.27 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.65 1smp s ILE 280 Cb -0.10 -0.70 0.06 0.00 0.01 0.00 0.00 42.46 41.74 1smp s ILE 280 CO 0.19 -0.11 0.81 0.72 0.00 0.00 0.00 174.94 176.55 1smp s PHE 281 N 2.44 -0.28 -0.21 3.97 -0.12 -0.56 -4.59 117.98 118.63 1smp s PHE 281 Ca 0.08 0.00 0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1smp s PHE 281 Cb -0.15 0.61 0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1smp s PHE 281 CO -0.13 -0.86 -0.12 0.00 -0.05 0.00 0.00 175.22 174.07 1smp s ALA 282 N -3.48 2.14 0.04 1.99 0.00 -1.26 -1.75 121.76 119.44 1smp s ALA 282 Ca 0.08 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 1smp s ALA 282 Cb -0.02 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 1smp s ALA 282 CO -0.03 -0.82 1.25 0.00 0.00 0.00 0.00 175.76 176.17 1smp s ALA 283 N 1.33 3.46 -0.15 0.00 0.00 -0.17 -4.83 121.76 121.40 1smp s ALA 283 Ca -0.02 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1smp s ALA 283 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1smp s ALA 283 CO -0.08 -0.57 -0.18 -0.46 0.00 0.00 0.00 175.76 174.47 1smp s TRP 284 N 1.42 2.44 -0.08 0.00 -0.11 -1.26 -1.77 118.94 119.58 1smp s TRP 284 Ca 0.60 -1.35 -0.05 0.00 1.22 0.00 0.00 56.10 56.52 1smp s TRP 284 Cb -0.30 -1.72 0.03 0.00 -1.50 0.00 0.00 33.47 29.98 1smp s TRP 284 CO 0.28 -0.68 0.19 0.34 -4.62 0.00 0.00 176.95 172.46 1smp s ASP 285 N 1.21 -0.19 0.00 5.86 -1.08 -1.26 -4.85 116.67 116.37 1smp s ASP 285 Ca 0.01 0.39 0.23 0.00 -0.52 0.00 0.00 52.55 52.67 1smp s ASP 285 Cb -0.14 0.32 0.13 0.00 -1.46 0.00 0.00 42.92 41.77 1smp s ASP 285 CO -0.08 -0.12 1.20 0.00 0.52 0.00 0.00 175.17 176.68 1smp n ALA 286 N 3.79 2.77 0.00 3.66 0.00 0.22 -4.68 120.51 126.27 1smp n ALA 286 Ca -0.21 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1smp n ALA 286 Cb 0.55 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1smp n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smp n GLY 287 N 1.36 0.99 0.38 0.00 0.00 -1.24 -4.84 105.19 101.84 1smp n GLY 287 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1smp n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smp n GLY 288 N -0.37 -3.42 3.32 -0.02 0.00 -1.15 -3.59 105.19 99.96 1smp n GLY 288 Ca 0.00 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 1smp n GLY 288 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1smp s ASN 289 N -1.29 6.03 0.25 1.61 3.84 -1.26 -4.90 114.94 119.22 1smp s ASN 289 Ca 0.00 -1.57 0.05 0.00 0.21 0.00 0.00 52.86 51.56 1smp s ASN 289 Cb 0.00 -2.14 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 1smp s ASN 289 CO 0.00 -0.70 0.34 -1.81 -2.79 0.00 0.00 177.10 172.14 1smp s ASP 290 N 2.85 6.18 -0.02 -4.21 1.01 -1.26 -3.59 116.67 117.63 1smp s ASP 290 Ca 0.04 0.00 -0.00 0.00 0.71 0.00 0.00 52.55 53.30 1smp s ASP 290 Cb -0.26 -1.75 0.02 0.00 1.01 0.00 0.00 42.92 41.94 1smp s ASP 290 CO 0.04 -0.09 0.02 -0.89 0.21 0.00 0.00 175.17 174.46 1smp s THR 291 N -2.02 -0.05 -0.64 -1.27 2.01 0.15 -1.12 115.64 112.70 1smp s THR 291 Ca 0.35 0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.34 1smp s THR 291 Cb -0.09 -0.07 0.12 0.00 0.01 0.00 0.00 72.50 72.47 1smp s THR 291 CO 0.29 0.07 0.75 -0.36 -0.69 0.00 0.00 174.62 174.67 1smp s PHE 292 N 0.87 3.09 -0.56 4.92 0.40 -0.07 -0.82 117.98 125.80 1smp s PHE 292 Ca -0.07 -1.11 -0.20 0.00 -0.60 0.00 0.00 56.93 54.95 1smp s PHE 292 Cb -0.10 -4.02 0.07 0.00 0.51 0.00 0.00 43.02 39.48 1smp s PHE 292 CO -0.02 -1.28 0.71 0.34 0.70 0.00 0.00 175.22 175.66 1smp s ASP 293 N 3.49 6.21 -0.23 1.36 -1.08 0.06 -1.57 116.67 124.91 1smp s ASP 293 Ca 0.14 -1.08 0.11 0.00 -0.52 0.00 0.00 52.55 51.20 1smp s ASP 293 Cb -0.21 -2.32 0.45 0.00 -1.46 0.00 0.00 42.92 39.38 1smp s ASP 293 CO 0.03 -1.05 1.30 0.49 0.52 0.00 0.00 175.17 176.46 1smp n PHE 294 N 6.47 0.36 0.18 -5.34 3.72 -0.54 -0.81 117.46 121.50 1smp n PHE 294 Ca -0.07 -1.52 0.06 0.00 -0.05 0.00 0.00 57.45 55.87 1smp n PHE 294 Cb 0.44 -0.33 0.53 0.00 -0.94 0.00 0.00 39.48 39.18 1smp n PHE 294 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1smp h SER 295 N 0.98 0.12 0.77 4.37 4.64 -1.59 -2.92 113.55 119.91 1smp h SER 295 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1smp h SER 295 Cb 1.22 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1smp h SER 295 CO 0.13 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 1smp n GLY 296 N -1.28 -1.29 3.79 -0.77 0.00 -1.26 -4.11 105.19 100.28 1smp n GLY 296 Ca -0.01 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1smp n GLY 296 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1smp s TYR 297 N -2.96 3.83 -1.21 1.61 2.02 -1.10 -4.17 117.35 115.37 1smp s TYR 297 Ca 0.13 1.48 0.22 0.00 -0.37 0.00 0.00 57.07 58.53 1smp s TYR 297 Cb 0.15 -2.66 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 1smp s TYR 297 CO 0.42 0.50 1.00 0.25 -1.57 0.00 0.00 175.55 176.15 1smp n THR 298 N 1.45 0.00 -1.70 -0.71 -2.24 -1.26 -1.90 114.28 107.92 1smp n THR 298 Ca -0.06 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1smp n THR 298 Cb 0.50 0.97 0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1smp n THR 298 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smp s ALA 299 N -2.89 2.85 0.15 6.98 0.00 -1.26 -3.44 121.76 124.15 1smp s ALA 299 Ca 0.11 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1smp s ALA 299 Cb 0.17 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 1smp s ALA 299 CO 0.79 -1.00 1.18 -0.80 0.00 0.00 0.00 175.76 175.92 1smp s ASN 300 N -3.93 7.13 0.24 0.00 0.01 -1.26 -3.83 114.94 113.29 1smp s ASN 300 Ca 0.57 2.14 0.08 0.00 -0.71 0.00 0.00 52.86 54.95 1smp s ASN 300 Cb -0.13 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.88 1smp s ASN 300 CO 0.54 -0.36 -0.13 -1.10 -1.51 0.00 0.00 177.10 174.53 1smp s GLN 301 N 0.08 1.46 -0.17 -0.60 -0.21 -1.23 -4.57 119.66 114.43 1smp s GLN 301 Ca 0.54 -1.68 -0.02 0.00 0.02 0.00 0.00 55.36 54.22 1smp s GLN 301 Cb -0.31 -1.28 0.05 0.00 1.00 0.00 0.00 33.01 32.47 1smp s GLN 301 CO 0.34 0.18 0.01 1.03 -2.12 0.00 0.00 175.29 174.73 1smp s ARG 302 N -3.63 0.85 -0.16 2.91 0.52 -0.62 -1.28 118.95 117.53 1smp s ARG 302 Ca 0.26 -0.37 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1smp s ARG 302 Cb -0.00 -1.89 -0.00 0.00 0.52 0.00 0.00 34.95 33.57 1smp s ARG 302 CO 0.10 -0.53 -0.14 0.42 0.02 0.00 0.00 175.30 175.17 1smp s ILE 303 N 1.81 2.78 -0.16 1.52 1.01 0.61 -0.50 121.20 128.27 1smp s ILE 303 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1smp s ILE 303 Cb -0.16 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.14 1smp s ILE 303 CO -0.07 0.50 -0.21 0.21 0.00 0.00 0.00 174.94 175.37 1smp s ASN 304 N 0.88 3.10 -0.10 3.58 3.84 -1.26 -0.67 114.94 124.31 1smp s ASN 304 Ca -0.04 -0.62 0.11 0.00 0.21 0.00 0.00 52.86 52.53 1smp s ASN 304 Cb -0.15 -1.45 0.50 0.00 -0.55 0.00 0.00 41.25 39.60 1smp s ASN 304 CO -0.01 0.04 1.34 0.18 -2.79 0.00 0.00 177.10 175.86 1smp n LEU 305 N 4.33 3.55 -4.80 3.21 4.77 -0.46 -4.82 117.00 122.78 1smp n LEU 305 Ca -0.20 -1.79 -0.38 0.00 -0.03 0.00 0.00 56.01 53.60 1smp n LEU 305 Cb 0.51 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1smp n LEU 305 CO 0.26 0.56 0.39 0.20 -1.33 0.00 0.00 177.39 177.47 1smp s ASN 306 N -0.70 7.19 0.56 -1.43 0.01 -1.26 -4.55 114.94 114.77 1smp s ASN 306 Ca 0.35 1.46 -0.21 0.00 -0.71 0.00 0.00 52.86 53.74 1smp s ASN 306 Cb 0.23 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1smp s ASN 306 CO 0.15 0.19 1.36 -1.83 -1.51 0.00 0.00 177.10 175.46 1smp s GLU 307 N -1.35 3.03 -0.51 -0.60 -1.05 -1.26 -2.28 118.70 114.68 1smp s GLU 307 Ca 0.35 2.23 0.00 0.00 -0.15 0.00 0.00 54.97 57.40 1smp s GLU 307 Cb -0.20 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 1smp s GLU 307 CO 0.23 -1.27 0.00 1.63 0.95 0.00 0.00 175.26 176.79 1smp n LYS 308 N -1.18 -1.27 -3.78 -4.83 5.02 0.27 -4.95 118.16 107.44 1smp n LYS 308 Ca 0.11 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 1smp n LYS 308 Cb 0.45 -4.64 -0.02 0.00 -0.02 0.00 0.00 35.03 30.80 1smp n LYS 308 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1smp s SER 309 N -2.28 5.79 0.06 4.39 1.04 -0.97 -4.87 113.70 116.86 1smp s SER 309 Ca 0.00 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1smp s SER 309 Cb 0.00 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.75 1smp s SER 309 CO 0.00 -0.26 -0.03 -0.36 0.98 0.00 0.00 173.24 173.57 1smp s PHE 310 N -2.16 2.95 0.15 5.02 0.40 -1.26 -2.99 117.98 120.09 1smp s PHE 310 Ca 0.39 -0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1smp s PHE 310 Cb -0.08 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 1smp s PHE 310 CO 0.28 0.45 -0.15 -1.12 0.70 0.00 0.00 175.22 175.38 1smp s SER 311 N -1.96 2.25 -0.43 1.36 0.01 -0.11 -4.54 113.70 110.28 1smp s SER 311 Ca 0.22 -0.89 -0.08 0.00 1.31 0.00 0.00 55.95 56.51 1smp s SER 311 Cb -0.11 -0.10 0.10 0.00 0.21 0.00 0.00 66.02 66.12 1smp s SER 311 CO 0.14 -0.15 0.27 -1.81 0.41 0.00 0.00 173.24 172.10 1smp s ASP 312 N -2.77 5.55 -0.04 2.44 1.01 0.34 -2.94 116.67 120.26 1smp s ASP 312 Ca 0.14 -1.74 0.04 0.00 0.71 0.00 0.00 52.55 51.70 1smp s ASP 312 Cb -0.03 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 1smp s ASP 312 CO 0.04 -0.58 -0.15 -0.69 0.21 0.00 0.00 175.17 174.00 1smp s VAL 313 N 1.34 3.01 -2.00 -1.27 1.01 -1.22 -1.59 120.40 119.68 1smp s VAL 313 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1smp s VAL 313 Cb -0.24 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1smp s VAL 313 CO -0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1smp n GLY 314 N 2.22 0.85 0.57 4.51 0.00 -1.26 -1.99 105.19 110.09 1smp n GLY 314 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1smp n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smp n GLY 315 N -0.70 0.59 4.00 -0.02 0.00 -1.26 -4.87 105.19 102.92 1smp n GLY 315 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1smp n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smp s LEU 316 N 0.00 3.38 -0.05 0.99 1.43 -0.84 -4.98 118.68 118.61 1smp s LEU 316 Ca 0.00 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 1smp s LEU 316 Cb 0.00 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1smp s LEU 316 CO 0.00 -0.98 -0.17 -0.54 0.23 0.00 0.00 176.35 174.89 1smp s LYS 317 N -4.44 1.88 -1.35 1.70 1.02 -0.16 -3.38 119.74 115.01 1smp s LYS 317 Ca 0.56 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.89 1smp s LYS 317 Cb -0.07 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 1smp s LYS 317 CO 0.34 0.22 0.31 0.41 -0.92 0.00 0.00 175.35 175.72 1smp n GLY 318 N 3.22 -0.50 0.04 -3.33 0.00 -1.15 -1.31 105.19 102.16 1smp n GLY 318 Ca -0.19 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1smp n GLY 318 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1smp n ASN 319 N -2.17 0.63 -4.16 1.61 6.94 -1.16 -4.85 115.26 112.09 1smp n ASN 319 Ca -0.11 -0.17 -0.26 0.00 -0.02 0.00 0.00 54.58 54.02 1smp n ASN 319 Cb 0.60 0.69 -0.16 0.00 -2.36 0.00 0.00 39.78 38.55 1smp n ASN 319 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1smp s VAL 320 N -3.19 1.46 0.18 3.53 1.01 -1.21 -1.50 120.40 120.68 1smp s VAL 320 Ca 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1smp s VAL 320 Cb 0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1smp s VAL 320 CO 0.79 0.42 0.24 -0.94 0.00 0.00 0.00 175.10 175.60 1smp s SER 321 N -0.14 0.09 -0.13 3.32 1.04 -0.72 -0.93 113.70 116.24 1smp s SER 321 Ca 0.00 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.39 1smp s SER 321 Cb -0.10 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1smp s SER 321 CO 0.01 -0.89 -0.19 -0.63 0.98 0.00 0.00 173.24 172.52 1smp s ILE 322 N -4.03 1.82 0.97 -1.02 1.01 -1.16 -1.00 121.20 117.79 1smp s ILE 322 Ca 0.24 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1smp s ILE 322 Cb 0.04 -1.63 0.17 0.00 0.01 0.00 0.00 42.46 41.05 1smp s ILE 322 CO 0.04 0.50 1.11 0.00 0.00 0.00 0.00 174.94 176.60 1smp s ALA 323 N 0.92 1.04 0.25 9.38 0.00 -0.73 0.96 121.76 133.57 1smp s ALA 323 Ca -0.06 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1smp s ALA 323 Cb -0.15 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 1smp s ALA 323 CO -0.02 -2.93 1.30 0.00 0.00 0.00 0.00 175.76 174.11 1smp s ALA 324 N -2.64 3.52 0.00 0.00 0.00 -1.26 -2.90 121.76 118.47 1smp s ALA 324 Ca 0.66 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1smp s ALA 324 Cb -0.23 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1smp s ALA 324 CO 0.59 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1smp n GLY 325 N 1.82 0.69 3.69 0.00 0.00 -1.26 -5.02 105.19 105.11 1smp n GLY 325 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1smp n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smp s VAL 326 N -2.30 4.49 -0.27 1.61 1.01 -1.14 -5.03 120.40 118.76 1smp s VAL 326 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1smp s VAL 326 Cb 0.00 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.53 1smp s VAL 326 CO 0.00 0.59 -0.08 -0.89 0.00 0.00 0.00 175.10 174.72 1smp s THR 327 N -0.73 2.30 -0.17 3.92 2.01 -1.26 -4.42 115.64 117.29 1smp s THR 327 Ca 0.12 -1.67 -0.10 0.00 0.31 0.00 0.00 61.69 60.35 1smp s THR 327 Cb -0.12 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 1smp s THR 327 CO 0.02 -0.10 0.15 -0.63 -0.69 0.00 0.00 174.62 173.38 1smp s ILE 328 N 1.10 5.42 -0.17 1.82 -1.09 -1.26 -4.70 121.20 122.32 1smp s ILE 328 Ca -0.07 0.23 0.11 0.00 -2.23 0.00 0.00 60.65 58.70 1smp s ILE 328 Cb -0.20 -3.47 -0.23 0.00 -1.58 0.00 0.00 42.46 36.98 1smp s ILE 328 CO -0.05 0.49 0.15 -0.62 -1.23 0.00 0.00 174.94 173.68 1smp n GLU 329 N 3.06 0.68 -4.35 2.79 4.71 -0.97 -4.88 120.64 121.67 1smp n GLU 329 Ca -0.17 0.11 -0.20 0.00 -0.01 0.00 0.00 57.16 56.90 1smp n GLU 329 Cb 0.53 -1.59 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 1smp n GLU 329 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1smp s ASN 330 N -5.96 2.69 -0.08 1.62 0.01 -0.28 -3.29 114.94 109.65 1smp s ASN 330 Ca -0.15 -0.99 -0.11 0.00 -0.71 0.00 0.00 52.86 50.89 1smp s ASN 330 Cb 0.07 -0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.60 1smp s ASN 330 CO 0.77 -0.12 0.29 0.00 -1.51 0.00 0.00 177.10 176.53 1smp s ALA 331 N -2.74 -0.72 -0.14 0.60 0.00 -0.92 -0.89 121.76 116.95 1smp s ALA 331 Ca 0.22 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1smp s ALA 331 Cb -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1smp s ALA 331 CO 0.08 -0.18 -0.04 0.42 0.00 0.00 0.00 175.76 176.03 1smp s ILE 332 N -0.39 0.90 1.12 0.00 1.01 -0.61 -1.99 121.20 121.25 1smp s ILE 332 Ca -0.05 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 1smp s ILE 332 Cb -0.03 -1.06 0.26 0.00 0.01 0.00 0.00 42.46 41.63 1smp s ILE 332 CO 0.02 0.18 1.20 -0.83 0.00 0.00 0.00 174.94 175.51 1smp s GLY 333 N 1.74 1.67 0.00 6.18 0.00 0.57 -1.47 107.32 116.02 1smp s GLY 333 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1smp s GLY 333 CO -0.07 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1smp n GLY 334 N -2.12 4.34 0.13 0.20 0.00 -1.23 -3.53 105.19 102.98 1smp n GLY 334 Ca 0.15 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.37 1smp n GLY 334 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smp n SER 335 N 0.00 0.44 -4.54 1.61 3.41 -0.80 -3.50 113.62 110.24 1smp n SER 335 Ca 0.00 -0.90 -0.25 0.00 -0.26 0.00 0.00 58.87 57.45 1smp n SER 335 Cb 0.00 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.03 1smp n SER 335 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1smp s GLY 336 N -2.19 1.76 -0.41 5.00 0.00 -1.22 -3.52 107.32 106.75 1smp s GLY 336 Ca 0.39 -1.59 -0.26 0.00 0.00 0.00 0.00 44.72 43.25 1smp s GLY 336 CO 0.40 -0.98 0.97 -1.31 0.00 0.00 0.00 173.10 172.18 1smp s ASN 337 N -4.77 6.64 0.34 1.64 0.01 -1.26 -4.43 114.94 113.11 1smp s ASN 337 Ca 0.68 0.47 0.08 0.00 -0.71 0.00 0.00 52.86 53.38 1smp s ASN 337 Cb -0.05 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1smp s ASN 337 CO 0.46 -0.97 0.13 -1.81 -1.51 0.00 0.00 177.10 173.40 1smp s ASP 338 N 2.05 4.60 -0.14 -1.22 1.01 -1.25 -3.52 116.67 118.21 1smp s ASP 338 Ca 0.40 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.84 1smp s ASP 338 Cb -0.11 -0.69 0.02 0.00 1.01 0.00 0.00 42.92 43.16 1smp s ASP 338 CO 0.22 -0.30 -0.13 -0.69 0.21 0.00 0.00 175.17 174.48 1smp s VAL 339 N -2.45 1.44 -0.13 -1.27 1.01 -0.41 -0.95 120.40 117.64 1smp s VAL 339 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1smp s VAL 339 Cb -0.02 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1smp s VAL 339 CO 0.22 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 175.00 1smp s ILE 340 N 1.53 1.41 -0.12 2.22 1.01 -0.50 -0.29 121.20 126.46 1smp s ILE 340 Ca 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1smp s ILE 340 Cb -0.13 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1smp s ILE 340 CO -0.10 0.43 -0.17 -0.69 0.00 0.00 0.00 174.94 174.41 1smp s VAL 341 N 1.42 2.68 0.12 2.92 1.01 0.16 -1.70 120.40 127.02 1smp s VAL 341 Ca 0.02 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1smp s VAL 341 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1smp s VAL 341 CO -0.08 0.53 0.17 0.61 0.00 0.00 0.00 175.10 176.34 1smp n GLY 342 N 3.59 0.70 0.00 4.51 0.00 0.27 -1.35 105.19 112.91 1smp n GLY 342 Ca -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1smp n GLY 342 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1smp n ASN 343 N -2.99 1.68 0.00 1.61 0.23 -1.26 -4.60 115.26 109.94 1smp n ASN 343 Ca 0.03 -0.27 0.13 0.00 -0.53 0.00 0.00 54.58 53.93 1smp n ASN 343 Cb 0.10 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.54 1smp n ASN 343 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1smp n ALA 344 N -3.00 2.44 -1.97 -2.53 0.00 -1.26 -3.17 120.51 111.02 1smp n ALA 344 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1smp n ALA 344 Cb 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 19.45 18.13 1smp n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smp s ALA 345 N -2.00 3.53 -0.34 0.00 0.00 -1.25 -3.84 121.76 117.86 1smp s ALA 345 Ca 0.38 -1.43 -0.27 0.00 0.00 0.00 0.00 51.96 50.63 1smp s ALA 345 Cb 0.17 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1smp s ALA 345 CO 0.29 -1.32 0.99 -0.80 0.00 0.00 0.00 175.76 174.92 1smp s ASN 346 N -4.63 6.81 0.22 0.00 0.01 -1.26 -4.46 114.94 111.62 1smp s ASN 346 Ca 0.63 0.84 0.09 0.00 -0.71 0.00 0.00 52.86 53.71 1smp s ASN 346 Cb -0.08 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1smp s ASN 346 CO 0.44 -0.85 -0.05 0.20 -1.51 0.00 0.00 177.10 175.33 1smp s ASN 347 N 1.74 4.41 -0.24 -1.22 -0.87 -1.26 -4.86 114.94 112.64 1smp s ASN 347 Ca 0.41 -0.60 0.02 0.00 -1.57 0.00 0.00 52.86 51.13 1smp s ASN 347 Cb -0.12 -0.79 0.05 0.00 -0.02 0.00 0.00 41.25 40.36 1smp s ASN 347 CO 0.16 0.06 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.95 1smp s VAL 348 N -1.98 2.29 -0.09 1.60 1.01 -1.21 -0.89 120.40 121.14 1smp s VAL 348 Ca 0.28 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.89 1smp s VAL 348 Cb -0.08 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1smp s VAL 348 CO 0.17 0.11 -0.20 -0.76 0.00 0.00 0.00 175.10 174.43 1smp s LEU 349 N 1.18 2.35 -0.08 3.92 1.43 -0.76 -2.16 118.68 124.56 1smp s LEU 349 Ca -0.05 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1smp s LEU 349 Cb -0.18 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1smp s LEU 349 CO -0.06 0.22 -0.09 -0.54 0.23 0.00 0.00 176.35 176.10 1smp s LYS 350 N 0.02 1.47 0.30 1.70 1.02 -0.84 -0.92 119.74 122.49 1smp s LYS 350 Ca -0.07 -0.29 0.16 0.00 0.02 0.00 0.00 55.97 55.79 1smp s LYS 350 Cb -0.15 -1.36 0.14 0.00 -0.52 0.00 0.00 37.83 35.93 1smp s LYS 350 CO 0.05 -0.10 1.48 0.78 -0.92 0.00 0.00 175.35 176.64 1smp h GLY 351 N 7.46 0.00 0.00 -3.33 0.00 -0.88 0.16 103.07 106.48 1smp h GLY 351 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1smp h GLY 351 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.59 1smp n GLY 352 N 1.14 -0.84 3.62 4.60 0.00 -1.24 -3.96 105.19 108.51 1smp n GLY 352 Ca 0.02 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1smp n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smp s ALA 353 N -1.37 0.64 0.00 4.61 0.00 -1.23 -3.38 121.76 121.03 1smp s ALA 353 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1smp s ALA 353 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1smp s ALA 353 CO 0.00 -3.22 0.00 0.41 0.00 0.00 0.00 175.76 172.95 1smp n GLY 354 N -0.83 -1.38 3.40 0.00 0.00 -1.23 -4.07 105.19 101.09 1smp n GLY 354 Ca 0.07 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 1smp n GLY 354 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1smp s ASN 355 N -3.91 6.19 0.39 1.61 0.01 -1.26 -4.26 114.94 113.71 1smp s ASN 355 Ca 0.00 -1.23 0.08 0.00 -0.71 0.00 0.00 52.86 51.00 1smp s ASN 355 Cb 0.00 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 1smp s ASN 355 CO 0.00 -1.10 0.47 -1.81 -1.51 0.00 0.00 177.10 173.15 1smp s ASP 356 N 3.39 5.56 -0.10 -1.22 1.01 -1.25 -3.90 116.67 120.16 1smp s ASP 356 Ca 0.14 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.98 1smp s ASP 356 Cb -0.22 -0.82 0.01 0.00 1.01 0.00 0.00 42.92 42.91 1smp s ASP 356 CO 0.08 -0.61 -0.14 -0.69 0.21 0.00 0.00 175.17 174.03 1smp s VAL 357 N -2.33 1.35 -0.03 -1.27 1.01 -0.13 -0.99 120.40 118.02 1smp s VAL 357 Ca 0.50 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1smp s VAL 357 Cb -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1smp s VAL 357 CO 0.31 0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.85 1smp s LEU 358 N 0.95 2.01 -0.14 3.92 1.02 0.22 -1.41 118.68 125.26 1smp s LEU 358 Ca -0.08 -0.41 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 1smp s LEU 358 Cb -0.15 -1.13 0.05 0.00 0.02 0.00 0.00 46.19 44.98 1smp s LEU 358 CO -0.00 0.23 0.06 0.12 0.02 0.00 0.00 176.35 176.77 1smp s PHE 359 N -0.28 0.49 -0.26 0.29 5.36 -0.69 -0.56 117.98 122.33 1smp s PHE 359 Ca 0.02 -0.35 0.19 0.00 -0.96 0.00 0.00 56.93 55.83 1smp s PHE 359 Cb -0.10 -0.77 0.14 0.00 -0.34 0.00 0.00 43.02 41.94 1smp s PHE 359 CO 0.01 -0.46 1.41 0.78 -1.46 0.00 0.00 175.22 175.50 1smp h GLY 360 N 8.36 0.00 0.00 13.12 0.00 -1.86 0.79 103.07 123.48 1smp h GLY 360 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1smp h GLY 360 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.43 1smp n GLY 361 N 1.19 1.09 3.92 4.60 0.00 -1.26 -4.00 105.19 110.73 1smp n GLY 361 Ca 0.01 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1smp n GLY 361 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smp s GLY 362 N -0.36 1.64 0.00 -0.02 0.00 -1.19 -4.57 107.32 102.83 1smp s GLY 362 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1smp s GLY 362 CO 0.00 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.31 1smp n GLY 363 N -2.81 -2.44 3.38 0.20 0.00 -1.25 -3.97 105.19 98.30 1smp n GLY 363 Ca 0.06 -1.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 1smp n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smp s ALA 364 N -1.03 3.41 0.29 4.61 0.00 -1.26 -4.62 121.76 123.16 1smp s ALA 364 Ca 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 51.96 49.85 1smp s ALA 364 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1smp s ALA 364 CO 0.00 -2.29 0.43 -0.51 0.00 0.00 0.00 175.76 173.39 1smp s ASP 365 N 3.47 6.21 -0.15 0.00 1.01 -1.26 -4.08 116.67 121.87 1smp s ASP 365 Ca 0.12 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.45 1smp s ASP 365 Cb -0.23 -1.72 0.02 0.00 1.01 0.00 0.00 42.92 42.00 1smp s ASP 365 CO 0.07 -0.21 -0.12 -0.70 0.21 0.00 0.00 175.17 174.41 1smp s GLU 366 N -4.10 2.12 -0.02 8.23 2.12 -0.07 -1.36 118.70 125.63 1smp s GLU 366 Ca 0.38 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 55.24 1smp s GLU 366 Cb -0.09 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.23 1smp s GLU 366 CO 0.31 -0.26 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.06 1smp s LEU 367 N 1.52 2.44 -0.11 2.70 1.43 -0.07 -1.84 118.68 124.75 1smp s LEU 367 Ca 0.04 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1smp s LEU 367 Cb -0.13 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1smp s LEU 367 CO -0.10 0.32 -0.04 0.26 0.23 0.00 0.00 176.35 177.02 1smp s TRP 368 N -0.72 1.18 -0.12 0.29 0.52 -0.10 -0.98 118.94 119.02 1smp s TRP 368 Ca 0.11 -0.59 0.14 0.00 0.02 0.00 0.00 56.10 55.78 1smp s TRP 368 Cb -0.10 -1.07 0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1smp s TRP 368 CO 0.01 -0.47 1.42 0.78 0.02 0.00 0.00 176.95 178.71 1smp h GLY 369 N 8.23 0.00 0.00 0.98 0.00 -1.86 0.13 103.07 110.54 1smp h GLY 369 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1smp h GLY 369 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1smp n GLY 370 N 1.24 -0.22 3.78 4.60 0.00 -1.26 -3.69 105.19 109.64 1smp n GLY 370 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1smp n GLY 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smp s ALA 371 N -1.46 2.22 0.00 4.61 0.00 -1.22 -4.90 121.76 121.01 1smp s ALA 371 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1smp s ALA 371 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1smp s ALA 371 CO 0.00 -1.73 0.00 0.41 0.00 0.00 0.00 175.76 174.44 1smp n GLY 372 N -1.63 0.31 3.41 0.00 0.00 -1.26 -3.57 105.19 102.46 1smp n GLY 372 Ca 0.08 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 1smp n GLY 372 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smp s LYS 373 N -1.38 3.08 0.26 1.61 1.02 -1.26 -4.78 119.74 118.29 1smp s LYS 373 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 55.97 54.95 1smp s LYS 373 Cb 0.00 -4.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 1smp s LYS 373 CO 0.00 -1.37 0.31 -0.51 -0.92 0.00 0.00 175.35 172.87 1smp s ASP 374 N 3.12 5.98 -0.06 2.83 1.01 -1.26 -3.96 116.67 124.33 1smp s ASP 374 Ca 0.13 -0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.34 1smp s ASP 374 Cb -0.22 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.11 1smp s ASP 374 CO 0.09 -0.11 -0.17 -0.63 0.21 0.00 0.00 175.17 174.56 1smp s ILE 375 N -2.06 1.47 -0.23 0.77 1.01 -0.16 -1.48 121.20 120.52 1smp s ILE 375 Ca 0.35 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1smp s ILE 375 Cb -0.09 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1smp s ILE 375 CO 0.28 0.43 -0.01 -0.36 0.00 0.00 0.00 174.94 175.28 1smp s PHE 376 N 0.34 3.00 -0.12 3.97 0.40 -0.43 -0.61 117.98 124.53 1smp s PHE 376 Ca -0.11 -0.73 -0.05 0.00 -0.60 0.00 0.00 56.93 55.43 1smp s PHE 376 Cb -0.15 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1smp s PHE 376 CO 0.04 -0.46 0.06 0.08 0.70 0.00 0.00 175.22 175.65 1smp s VAL 377 N 1.45 4.82 0.03 -0.44 1.01 0.28 0.21 120.40 127.76 1smp s VAL 377 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1smp s VAL 377 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1smp s VAL 377 CO -0.01 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.19 1smp s PHE 378 N -0.59 0.97 0.00 5.22 0.08 -0.82 -4.38 117.98 118.47 1smp s PHE 378 Ca 0.11 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1smp s PHE 378 Cb -0.12 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 1smp s PHE 378 CO 0.02 -0.00 0.00 -1.13 -0.10 0.00 0.00 175.22 174.01 1smp n SER 379 N 2.08 0.00 -3.85 1.36 3.41 -1.26 -4.51 113.62 110.85 1smp n SER 379 Ca -0.18 -0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.14 1smp n SER 379 Cb 0.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 1smp n SER 379 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smp s ALA 380 N 0.00 -0.27 0.21 7.33 0.00 -1.26 -4.77 121.76 122.99 1smp s ALA 380 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 1smp s ALA 380 Cb 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.17 1smp s ALA 380 CO 0.00 -0.10 1.84 0.00 0.00 0.00 0.00 175.76 177.51 1smp h ALA 381 N 5.52 0.99 0.00 0.00 0.00 -1.91 -1.48 119.26 122.36 1smp h ALA 381 Ca -0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1smp h ALA 381 Cb 1.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1smp h ALA 381 CO 0.42 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 179.02 1smp n SER 382 N -4.47 0.00 -0.24 0.00 3.41 -1.26 -2.36 113.62 108.69 1smp n SER 382 Ca 0.07 0.38 -0.03 0.00 -0.26 0.00 0.00 58.87 59.03 1smp n SER 382 Cb 0.07 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 63.66 1smp n SER 382 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1smp h ASP 383 N 0.00 0.70 -2.35 4.04 5.19 -1.51 -3.37 116.42 119.11 1smp h ASP 383 Ca 0.00 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.95 1smp h ASP 383 Cb 0.24 -0.15 -0.36 0.00 0.18 0.00 0.00 39.33 39.24 1smp h ASP 383 CO 0.00 0.48 -0.75 -0.94 -3.12 0.00 0.00 179.24 174.91 1smp s SER 384 N -5.73 2.30 0.24 6.45 1.04 -1.00 -3.98 113.70 113.03 1smp s SER 384 Ca -0.13 -1.58 -0.10 0.00 0.48 0.00 0.00 55.95 54.62 1smp s SER 384 Cb 0.15 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.26 1smp s SER 384 CO 0.77 -0.33 0.58 0.00 0.98 0.00 0.00 173.24 175.23 1smp s ALA 385 N 1.60 3.53 0.19 5.32 0.00 -1.20 -1.79 121.76 129.42 1smp s ALA 385 Ca 0.14 -0.23 -0.33 0.00 0.00 0.00 0.00 51.96 51.55 1smp s ALA 385 Cb -0.18 -2.48 -0.13 0.00 0.00 0.00 0.00 23.12 20.33 1smp s ALA 385 CO -0.13 0.48 1.63 -2.30 0.00 0.00 0.00 175.76 175.44 1smp n PRO 386 N -0.16 2.42 -0.03 0.00 -0.02 -1.26 -0.67 135.00 135.28 1smp n PRO 386 Ca 0.01 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1smp n PRO 386 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1smp n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smp n GLY 387 N 3.48 0.36 2.55 -1.23 0.00 -1.26 -4.81 105.19 104.28 1smp n GLY 387 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1smp n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smp n ALA 388 N -1.83 0.58 -1.88 4.61 0.00 0.16 -5.16 120.51 116.99 1smp n ALA 388 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 1smp n ALA 388 Cb 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.61 1smp n ALA 388 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1smp s SER 389 N -0.84 5.12 0.59 0.00 1.04 -0.69 -3.85 113.70 115.08 1smp s SER 389 Ca 0.12 1.03 -0.12 0.00 0.48 0.00 0.00 55.95 57.46 1smp s SER 389 Cb 0.30 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.64 1smp s SER 389 CO -0.07 -1.54 1.01 -1.81 0.98 0.00 0.00 173.24 171.80 1smp s ASP 390 N -4.41 6.32 -0.06 7.02 1.11 -1.26 -4.48 116.67 120.91 1smp s ASP 390 Ca 0.59 1.43 0.03 0.00 0.18 0.00 0.00 52.55 54.78 1smp s ASP 390 Cb -0.11 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1smp s ASP 390 CO 0.51 -0.79 -0.15 0.26 1.18 0.00 0.00 175.17 176.18 1smp s TRP 391 N -3.03 1.67 -0.38 4.23 0.52 -0.46 -2.45 118.94 119.04 1smp s TRP 391 Ca 0.56 -0.59 -0.11 0.00 0.02 0.00 0.00 56.10 55.97 1smp s TRP 391 Cb -0.11 -1.17 0.03 0.00 -1.15 0.00 0.00 33.47 31.07 1smp s TRP 391 CO 0.48 -0.27 0.22 0.42 0.02 0.00 0.00 176.95 177.82 1smp s ILE 392 N 0.46 4.65 -1.88 2.03 1.01 -0.41 -0.89 121.20 126.17 1smp s ILE 392 Ca -0.12 -0.85 0.30 0.00 0.00 0.00 0.00 60.65 59.98 1smp s ILE 392 Cb -0.15 -3.60 0.69 0.00 0.01 0.00 0.00 42.46 39.40 1smp s ILE 392 CO 0.04 -0.25 2.05 0.54 0.00 0.00 0.00 174.94 177.32 1smp n ARG 393 N 5.02 0.91 -2.70 2.79 5.12 -0.15 -0.28 116.66 127.37 1smp n ARG 393 Ca -0.12 -0.18 -0.02 0.00 -1.93 0.00 0.00 57.85 55.60 1smp n ARG 393 Cb 0.46 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.38 1smp n ARG 393 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1smp n ASP 394 N -0.89 -0.89 -4.77 0.55 5.68 -1.26 -4.77 116.55 110.20 1smp n ASP 394 Ca 0.19 -2.20 -0.41 0.00 -0.50 0.00 0.00 54.79 51.87 1smp n ASP 394 Cb 0.20 0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 40.65 1smp n ASP 394 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1smp s PHE 395 N -0.64 2.71 -0.32 2.11 2.19 -1.07 -4.79 117.98 118.16 1smp s PHE 395 Ca 0.13 1.06 -0.03 0.00 0.33 0.00 0.00 56.93 58.43 1smp s PHE 395 Cb 0.42 -3.99 0.06 0.00 -1.31 0.00 0.00 43.02 38.20 1smp s PHE 395 CO -0.11 -3.06 0.04 -0.65 1.83 0.00 0.00 175.22 173.28 1smp s GLN 396 N -1.46 2.39 0.11 10.12 -0.21 -1.26 -4.58 119.66 124.77 1smp s GLN 396 Ca 0.56 -1.33 -0.34 0.00 0.02 0.00 0.00 55.36 54.27 1smp s GLN 396 Cb -0.46 -3.28 -0.13 0.00 1.00 0.00 0.00 33.01 30.14 1smp s GLN 396 CO 0.56 -0.69 1.64 1.17 -2.12 0.00 0.00 175.29 175.85 1smp n LYS 397 N 4.64 2.16 -1.00 2.91 4.81 -1.20 -1.14 118.16 129.35 1smp n LYS 397 Ca -0.11 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1smp n LYS 397 Cb 0.43 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1smp n LYS 397 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smp n GLY 398 N 3.61 0.87 1.26 3.14 0.00 -1.26 -4.78 105.19 108.02 1smp n GLY 398 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1smp n GLY 398 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1smp n ILE 399 N -2.24 0.57 -1.87 -0.61 5.41 -0.40 -5.03 119.36 115.20 1smp n ILE 399 Ca 0.00 0.19 -0.29 0.00 1.00 0.00 0.00 62.75 63.65 1smp n ILE 399 Cb 0.00 -1.31 0.08 0.00 -0.71 0.00 0.00 39.64 37.71 1smp n ILE 399 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1smp s ASP 400 N -5.46 4.61 0.02 4.38 1.01 -0.29 -4.48 116.67 116.46 1smp s ASP 400 Ca 0.00 0.86 -0.05 0.00 0.71 0.00 0.00 52.55 54.07 1smp s ASP 400 Cb 0.00 -1.42 -0.01 0.00 1.01 0.00 0.00 42.92 42.50 1smp s ASP 400 CO 0.00 -1.85 0.09 -0.54 0.21 0.00 0.00 175.17 173.08 1smp s LYS 401 N -5.51 0.49 -0.19 8.23 1.02 -0.55 -4.66 119.74 118.56 1smp s LYS 401 Ca 0.61 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 1smp s LYS 401 Cb -0.11 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.38 1smp s LYS 401 CO 0.50 -0.11 -0.05 0.42 -0.92 0.00 0.00 175.35 175.18 1smp s ILE 402 N -1.85 3.45 -0.43 2.17 1.01 -0.30 -1.32 121.20 123.92 1smp s ILE 402 Ca -0.11 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 1smp s ILE 402 Cb -0.06 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.90 1smp s ILE 402 CO -0.01 0.45 0.49 -0.62 0.00 0.00 0.00 174.94 175.25 1smp s ASP 403 N 1.08 6.22 0.00 3.58 -1.08 0.13 -0.96 116.67 125.65 1smp s ASP 403 Ca 0.01 -0.67 0.08 0.00 -0.52 0.00 0.00 52.55 51.45 1smp s ASP 403 Cb -0.15 -2.24 0.10 0.00 -1.46 0.00 0.00 42.92 39.17 1smp s ASP 403 CO -0.00 -0.65 0.86 0.18 0.52 0.00 0.00 175.17 176.07 1smp n LEU 404 N 5.75 1.91 -0.37 -1.34 4.77 0.87 -1.95 117.00 126.64 1smp n LEU 404 Ca -0.06 -1.22 0.30 0.00 -0.03 0.00 0.00 56.01 55.00 1smp n LEU 404 Cb 0.47 -0.04 0.59 0.00 -2.33 0.00 0.00 43.42 42.12 1smp n LEU 404 CO 0.48 0.41 1.24 0.77 -1.33 0.00 0.00 177.39 178.96 1smp h SER 405 N 1.61 0.31 -0.30 -1.43 4.64 -1.58 -2.00 113.55 114.80 1smp h SER 405 Ca 0.00 0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1smp h SER 405 Cb 0.42 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.49 1smp h SER 405 CO 0.00 -0.02 -0.13 0.15 -0.87 0.00 0.00 176.83 175.96 1smp h PHE 406 N 0.23 -0.31 -0.52 4.77 3.57 -1.86 -0.69 116.94 122.13 1smp h PHE 406 Ca 0.68 0.03 0.13 0.00 3.53 0.00 0.00 57.97 62.34 1smp h PHE 406 Cb 2.02 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.92 1smp h PHE 406 CO -0.00 -0.20 0.37 0.74 -2.23 0.00 0.00 178.31 176.98 1smp h PHE 407 N -0.08 0.16 0.12 0.41 0.04 -1.64 0.17 116.94 116.12 1smp h PHE 407 Ca 0.15 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1smp h PHE 407 Cb 0.31 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1smp h PHE 407 CO -0.33 0.07 -0.06 -0.91 -0.60 0.00 0.00 178.31 176.48 1smp h ASN 408 N 0.14 -0.14 -0.59 2.17 2.35 -1.28 -0.85 115.58 117.40 1smp h ASN 408 Ca 0.25 -0.43 0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1smp h ASN 408 Cb 0.79 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.13 1smp h ASN 408 CO -0.03 0.43 0.21 0.11 -1.65 0.00 0.00 177.43 176.50 1smp h LYS 409 N -0.79 0.38 -0.50 0.81 1.57 -0.43 0.10 116.57 117.72 1smp h LYS 409 Ca -0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1smp h LYS 409 Cb 0.55 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1smp h LYS 409 CO 0.03 0.25 0.13 1.49 -0.57 0.00 0.00 179.45 180.77 1smp h GLU 410 N 0.39 0.76 -0.00 3.15 4.81 -0.75 -0.17 114.58 122.77 1smp h GLU 410 Ca 0.29 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1smp h GLU 410 Cb 0.35 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1smp h GLU 410 CO -0.30 0.68 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 1smp n ALA 411 N -2.46 2.67 -1.95 2.92 0.00 0.02 -4.88 120.51 116.82 1smp n ALA 411 Ca 0.04 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 1smp n ALA 411 Cb 0.21 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1smp n ALA 411 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1smp n ASN 412 N -0.79 -5.13 -3.76 0.00 4.13 0.14 -4.95 115.26 104.90 1smp n ASN 412 Ca 0.23 0.26 -0.13 0.00 1.68 0.00 0.00 54.58 56.62 1smp n ASN 412 Cb 0.15 -4.44 -0.11 0.00 -1.54 0.00 0.00 39.78 33.84 1smp n ASN 412 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1smp s SER 413 N -2.32 -0.34 0.12 6.41 0.15 -0.80 -5.01 113.70 111.91 1smp s SER 413 Ca 0.00 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.29 1smp s SER 413 Cb 0.00 0.63 -0.13 0.00 -1.71 0.00 0.00 66.02 64.81 1smp s SER 413 CO 0.00 -0.12 1.28 0.77 1.20 0.00 0.00 173.24 176.37 1smp h SER 414 N 5.86 0.34 -0.22 5.45 4.64 -1.93 -3.23 113.55 124.46 1smp h SER 414 Ca -0.28 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1smp h SER 414 Cb 1.19 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1smp h SER 414 CO 0.31 1.16 0.00 -0.90 -0.87 0.00 0.00 176.83 176.53 1smp n ASP 415 N -3.60 1.76 0.25 4.97 5.75 -1.26 -4.25 116.55 120.16 1smp n ASP 415 Ca -0.05 -2.12 -0.15 0.00 -0.01 0.00 0.00 54.79 52.46 1smp n ASP 415 Cb 0.90 -0.32 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 1smp n ASP 415 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1smp h PHE 416 N 1.34 -0.57 -3.14 2.11 3.57 -1.92 -3.39 116.94 114.93 1smp h PHE 416 Ca 0.00 -0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.94 1smp h PHE 416 Cb 0.58 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1smp h PHE 416 CO 0.23 -0.27 0.64 0.42 -2.23 0.00 0.00 178.31 177.10 1smp s ILE 417 N -5.24 4.29 -0.13 1.41 -1.09 -1.26 -4.32 121.20 114.86 1smp s ILE 417 Ca -0.15 1.62 -0.07 0.00 -2.23 0.00 0.00 60.65 59.81 1smp s ILE 417 Cb 0.03 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1smp s ILE 417 CO 0.56 0.03 0.32 -1.38 -1.23 0.00 0.00 174.94 173.25 1smp s HIS 418 N 1.87 -0.45 -0.02 3.97 -3.43 0.19 -5.01 115.29 112.42 1smp s HIS 418 Ca 0.56 1.01 -0.30 0.00 -0.80 0.00 0.00 55.06 55.53 1smp s HIS 418 Cb -0.25 0.15 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 1smp s HIS 418 CO 0.24 -0.28 1.03 -0.06 -2.00 0.00 0.00 174.74 173.67 1smp s PHE 419 N 1.24 3.57 0.27 0.38 0.08 -1.26 0.16 117.98 122.43 1smp s PHE 419 Ca -0.09 1.59 0.09 0.00 0.12 0.00 0.00 56.93 58.64 1smp s PHE 419 Cb -0.09 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.11 1smp s PHE 419 CO -0.10 -0.31 -0.12 0.14 -0.10 0.00 0.00 175.22 174.74 1smp s VAL 420 N 1.33 1.96 -0.98 -0.44 -7.23 0.64 -4.87 120.40 110.81 1smp s VAL 420 Ca 0.52 -2.22 0.23 0.00 -1.81 0.00 0.00 61.98 58.70 1smp s VAL 420 Cb -0.22 -2.36 -0.13 0.00 0.56 0.00 0.00 36.38 34.23 1smp s VAL 420 CO 0.25 -0.37 1.11 -0.90 -0.31 0.00 0.00 175.10 174.89 1smp n ASP 421 N -0.58 0.78 -3.70 4.85 5.68 -1.26 -4.48 116.55 117.83 1smp n ASP 421 Ca -0.06 -0.66 -0.12 0.00 -0.50 0.00 0.00 54.79 53.45 1smp n ASP 421 Cb 0.62 0.69 -0.09 0.00 -1.14 0.00 0.00 41.12 41.19 1smp n ASP 421 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1smp s HIS 422 N -3.01 -0.58 0.31 2.11 -3.43 -1.26 -5.08 115.29 104.35 1smp s HIS 422 Ca 0.09 1.36 -0.28 0.00 -0.80 0.00 0.00 55.06 55.43 1smp s HIS 422 Cb 0.17 0.23 -0.09 0.00 -1.43 0.00 0.00 32.58 31.45 1smp s HIS 422 CO 0.80 -0.29 1.07 -0.06 -2.00 0.00 0.00 174.74 174.26 1smp s PHE 423 N 0.56 3.53 -0.08 0.38 0.08 -1.26 -4.93 117.98 116.25 1smp s PHE 423 Ca -0.02 1.70 0.04 0.00 0.12 0.00 0.00 56.93 58.77 1smp s PHE 423 Cb -0.04 -3.21 -0.06 0.00 -0.57 0.00 0.00 43.02 39.13 1smp s PHE 423 CO -0.03 -0.48 0.13 0.43 -0.10 0.00 0.00 175.22 175.17 1smp n SER 424 N 0.86 2.51 0.00 1.36 7.64 -1.26 -4.98 113.62 119.75 1smp n SER 424 Ca 0.01 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1smp n SER 424 Cb 0.46 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.79 1smp n SER 424 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1smp n GLY 425 N 1.80 0.44 3.78 0.23 0.00 -1.26 -5.07 105.19 105.11 1smp n GLY 425 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1smp n GLY 425 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1smp s THR 426 N -2.00 3.71 0.46 2.61 2.01 -1.26 -3.80 115.64 117.36 1smp s THR 426 Ca 0.00 1.26 -0.22 0.00 0.31 0.00 0.00 61.69 63.04 1smp s THR 426 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 1smp s THR 426 CO 0.00 -0.04 1.10 0.00 -0.69 0.00 0.00 174.62 174.99 1smp s ALA 427 N -1.71 2.95 0.00 7.40 0.00 -1.26 -3.41 121.76 125.72 1smp s ALA 427 Ca 0.60 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1smp s ALA 427 Cb -0.21 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1smp s ALA 427 CO 0.26 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1smp n GLY 428 N 0.23 0.53 3.67 0.00 0.00 0.22 -4.92 105.19 104.92 1smp n GLY 428 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1smp n GLY 428 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smp s GLU 429 N -0.17 4.33 -0.07 1.61 2.02 -1.22 0.56 118.70 125.76 1smp s GLU 429 Ca 0.00 1.19 0.03 0.00 0.02 0.00 0.00 54.97 56.21 1smp s GLU 429 Cb 0.00 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 1smp s GLU 429 CO 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 175.26 174.78 1smp s ALA 430 N 2.25 2.68 -0.10 5.21 0.00 0.12 -1.34 121.76 130.59 1smp s ALA 430 Ca 0.42 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1smp s ALA 430 Cb -0.17 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.95 1smp s ALA 430 CO 0.13 0.50 -0.01 -1.17 0.00 0.00 0.00 175.76 175.21 1smp s LEU 431 N -0.53 0.84 -0.22 0.00 2.96 0.24 -0.26 118.68 121.71 1smp s LEU 431 Ca 0.07 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1smp s LEU 431 Cb -0.12 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 1smp s LEU 431 CO 0.02 -0.19 0.08 -0.76 -1.32 0.00 0.00 176.35 174.17 1smp s LEU 432 N 1.88 3.65 -0.01 -0.68 1.43 -1.26 -1.49 118.68 122.21 1smp s LEU 432 Ca 0.04 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1smp s LEU 432 Cb -0.13 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1smp s LEU 432 CO -0.06 0.06 -0.06 -0.94 0.23 0.00 0.00 176.35 175.58 1smp s SER 433 N 1.04 0.78 -0.13 2.29 1.04 -0.86 -4.99 113.70 112.88 1smp s SER 433 Ca 0.04 -0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 1smp s SER 433 Cb -0.14 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1smp s SER 433 CO 0.03 0.06 0.06 -0.47 0.98 0.00 0.00 173.24 173.90 1smp s TYR 434 N -0.02 3.31 -0.53 5.02 5.04 -1.26 -0.73 117.35 128.18 1smp s TYR 434 Ca 0.01 0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 1smp s TYR 434 Cb -0.04 -1.93 0.14 0.00 0.35 0.00 0.00 41.96 40.47 1smp s TYR 434 CO -0.00 0.42 0.42 1.21 -1.34 0.00 0.00 175.55 176.26 1smp s ASN 435 N -0.47 5.82 0.46 4.32 3.84 0.88 -4.95 114.94 124.83 1smp s ASN 435 Ca 0.10 -2.09 0.21 0.00 0.21 0.00 0.00 52.86 51.29 1smp s ASN 435 Cb -0.12 -2.04 1.10 0.00 -0.55 0.00 0.00 41.25 39.65 1smp s ASN 435 CO 0.02 -0.66 1.95 0.00 -2.79 0.00 0.00 177.10 175.61 1smp h ALA 436 N 8.27 1.29 -0.70 1.71 0.00 -1.96 0.39 119.26 128.26 1smp h ALA 436 Ca -0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1smp h ALA 436 Cb 1.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1smp h ALA 436 CO 0.85 0.28 0.31 1.03 0.00 0.00 0.00 179.25 181.72 1smp h SER 437 N 0.00 0.94 -0.00 0.00 0.87 -1.96 -3.24 113.55 110.16 1smp h SER 437 Ca -0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1smp h SER 437 Cb 0.51 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1smp h SER 437 CO 0.03 0.83 -0.55 -1.20 -0.53 0.00 0.00 176.83 175.41 1smp n SER 438 N -4.41 0.92 -2.91 6.23 7.64 -1.12 -5.00 113.62 114.97 1smp n SER 438 Ca 0.06 -0.96 -0.14 0.00 1.01 0.00 0.00 58.87 58.83 1smp n SER 438 Cb 0.15 0.84 0.07 0.00 -1.01 0.00 0.00 64.21 64.26 1smp n SER 438 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1smp n ASN 439 N -0.97 -2.56 -4.08 6.43 5.15 0.13 -4.91 115.26 114.45 1smp n ASN 439 Ca 0.04 -0.48 -0.26 0.00 -0.60 0.00 0.00 54.58 53.28 1smp n ASN 439 Cb 0.24 -4.13 -0.16 0.00 -0.53 0.00 0.00 39.78 35.20 1smp n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1smp s VAL 440 N -3.28 1.34 -0.17 3.44 1.01 -0.78 -1.16 120.40 120.81 1smp s VAL 440 Ca 0.07 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1smp s VAL 440 Cb -0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1smp s VAL 440 CO 0.57 0.40 0.12 -0.89 0.00 0.00 0.00 175.10 175.30 1smp s THR 441 N 0.41 5.30 -0.22 3.92 2.01 0.13 -0.08 115.64 127.10 1smp s THR 441 Ca -0.12 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 1smp s THR 441 Cb -0.15 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1smp s THR 441 CO 0.04 0.50 0.04 -1.81 -0.69 0.00 0.00 174.62 172.70 1smp s ASP 442 N -0.07 5.01 -0.30 3.53 1.01 0.09 -0.67 116.67 125.27 1smp s ASP 442 Ca 0.09 -0.19 -0.07 0.00 0.71 0.00 0.00 52.55 53.09 1smp s ASP 442 Cb -0.11 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.95 1smp s ASP 442 CO 0.00 0.02 0.09 -0.22 0.21 0.00 0.00 175.17 175.28 1smp s LEU 443 N 1.27 3.96 -0.08 1.23 2.96 0.05 -2.02 118.68 126.05 1smp s LEU 443 Ca 0.04 -0.75 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 1smp s LEU 443 Cb -0.15 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1smp s LEU 443 CO 0.02 -0.21 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.32 1smp s SER 444 N 1.50 4.55 -0.01 3.68 0.01 -0.55 -0.87 113.70 122.01 1smp s SER 444 Ca 0.02 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1smp s SER 444 Cb -0.17 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.81 1smp s SER 444 CO 0.03 0.32 -0.04 -0.69 0.41 0.00 0.00 173.24 173.27 1smp s VAL 445 N -0.57 0.37 -0.81 3.43 1.01 -0.11 -0.59 120.40 123.12 1smp s VAL 445 Ca 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1smp s VAL 445 Cb -0.12 -0.34 0.21 0.00 0.00 0.00 0.00 36.38 36.13 1smp s VAL 445 CO 0.02 0.12 0.70 0.21 0.00 0.00 0.00 175.10 176.15 1smp s ASN 446 N 0.10 6.15 -0.00 3.32 2.47 -0.45 -1.92 114.94 124.61 1smp s ASN 446 Ca -0.01 -3.08 -0.24 0.00 0.42 0.00 0.00 52.86 49.95 1smp s ASN 446 Cb -0.04 -2.03 -0.16 0.00 -1.45 0.00 0.00 41.25 37.57 1smp s ASN 446 CO -0.00 -0.38 1.14 0.40 -3.72 0.00 0.00 177.10 174.53 1smp h ILE 447 N 4.65 0.65 -0.20 -5.21 1.08 -1.90 0.62 117.51 117.21 1smp h ILE 447 Ca 0.09 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 1smp h ILE 447 Cb 0.94 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1smp h ILE 447 CO 0.79 0.12 0.01 0.61 -0.69 0.00 0.00 178.15 178.99 1smp n GLY 448 N -0.15 2.04 3.81 5.37 0.00 -1.26 -4.07 105.19 110.94 1smp n GLY 448 Ca -0.09 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1smp n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smp n GLY 449 N 0.19 -0.58 4.02 -0.02 0.00 -1.23 -4.91 105.19 102.66 1smp n GLY 449 Ca 0.10 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 1smp n GLY 449 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1smp s HIS 450 N -3.71 1.44 0.18 1.61 3.76 -1.25 -4.77 115.29 112.55 1smp s HIS 450 Ca 0.22 -0.55 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 1smp s HIS 450 Cb -0.08 -2.53 0.08 0.00 1.11 0.00 0.00 32.58 31.16 1smp s HIS 450 CO 0.87 -1.40 1.69 -0.56 -0.85 0.00 0.00 174.74 174.49 1smp h GLN 451 N -0.12 1.00 -6.78 1.40 -0.00 -1.94 -3.41 115.11 105.27 1smp h GLN 451 Ca -0.32 -0.24 -0.69 0.00 -0.00 0.00 0.00 58.65 57.40 1smp h GLN 451 Cb 1.28 -0.13 -0.21 0.00 -0.00 0.00 0.00 27.48 28.41 1smp h GLN 451 CO 0.40 0.91 -0.84 0.00 -0.00 0.00 0.00 178.83 179.30 1smp s ALA 452 N -5.32 2.50 0.65 0.06 0.00 -1.26 -4.74 121.76 113.65 1smp s ALA 452 Ca -0.12 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 1smp s ALA 452 Cb 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1smp s ALA 452 CO 0.83 0.56 1.29 -2.14 0.00 0.00 0.00 175.76 176.30 1smp s PRO 453 N -1.91 2.55 0.00 0.00 0.02 -1.26 -4.95 135.00 129.45 1smp s PRO 453 Ca 0.15 2.05 0.10 0.00 0.02 0.00 0.00 61.00 63.32 1smp s PRO 453 Cb -0.10 -1.85 0.11 0.00 0.02 0.00 0.00 34.50 32.68 1smp s PRO 453 CO 0.07 -1.59 0.88 -0.40 -0.33 0.00 0.00 177.00 175.62 1smp n ASP 454 N -1.92 1.98 -3.95 2.53 5.68 -0.96 -4.82 116.55 115.10 1smp n ASP 454 Ca 0.16 -1.51 -0.20 0.00 -0.50 0.00 0.00 54.79 52.74 1smp n ASP 454 Cb 0.48 -0.03 -0.16 0.00 -1.14 0.00 0.00 41.12 40.27 1smp n ASP 454 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1smp s PHE 455 N -0.85 0.90 -0.10 2.11 5.36 -0.81 -4.37 117.98 120.22 1smp s PHE 455 Ca 0.13 -0.26 -0.05 0.00 -0.96 0.00 0.00 56.93 55.79 1smp s PHE 455 Cb 0.09 -0.71 0.05 0.00 -0.34 0.00 0.00 43.02 42.10 1smp s PHE 455 CO 0.12 -0.17 0.24 -1.17 -1.46 0.00 0.00 175.22 172.79 1smp s LEU 456 N 0.60 0.44 -0.10 6.12 2.96 -0.74 -0.93 118.68 127.03 1smp s LEU 456 Ca -0.09 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1smp s LEU 456 Cb -0.12 0.71 0.01 0.00 0.50 0.00 0.00 46.19 47.29 1smp s LEU 456 CO 0.01 -0.16 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.04 1smp s VAL 457 N 1.24 1.44 -0.25 1.68 1.01 -0.05 -4.13 120.40 121.34 1smp s VAL 457 Ca -0.09 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1smp s VAL 457 Cb -0.10 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1smp s VAL 457 CO -0.08 0.43 0.18 -0.54 0.00 0.00 0.00 175.10 175.09 1smp s LYS 458 N 0.89 4.03 -0.13 2.72 1.02 -1.03 -0.77 119.74 126.48 1smp s LYS 458 Ca -0.09 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1smp s LYS 458 Cb -0.15 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1smp s LYS 458 CO 0.00 -0.03 -0.17 0.42 -0.92 0.00 0.00 175.35 174.65 1smp s ILE 459 N 1.33 2.61 -0.47 2.17 1.01 0.16 -1.28 121.20 126.72 1smp s ILE 459 Ca 0.08 -0.81 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 1smp s ILE 459 Cb -0.14 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1smp s ILE 459 CO 0.07 0.53 0.93 -0.69 0.00 0.00 0.00 174.94 175.78 1smp s VAL 460 N 0.54 4.46 -1.96 2.92 1.01 0.62 0.19 120.40 128.18 1smp s VAL 460 Ca -0.11 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1smp s VAL 460 Cb -0.16 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1smp s VAL 460 CO 0.04 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1smp n GLY 461 N 4.96 0.57 3.62 4.51 0.00 -0.31 -2.61 105.19 115.93 1smp n GLY 461 Ca 0.06 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 1smp n GLY 461 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smp s GLN 462 N -0.81 2.27 -0.06 1.61 -0.21 -1.26 -3.16 119.66 118.04 1smp s GLN 462 Ca 0.00 -0.99 0.03 0.00 0.02 0.00 0.00 55.36 54.41 1smp s GLN 462 Cb 0.00 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.65 1smp s GLN 462 CO 0.00 0.51 -0.14 0.08 -2.12 0.00 0.00 175.29 173.62 1smp s VAL 463 N -1.33 1.24 -0.37 1.09 1.01 -1.26 -3.22 120.40 117.57 1smp s VAL 463 Ca 0.24 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1smp s VAL 463 Cb -0.11 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1smp s VAL 463 CO 0.16 0.38 0.40 -0.62 0.00 0.00 0.00 175.10 175.41 1smp s ASP 464 N 0.49 6.19 0.56 3.32 -1.08 -1.26 -4.95 116.67 119.95 1smp s ASP 464 Ca -0.12 -0.37 0.26 0.00 -0.52 0.00 0.00 52.55 51.80 1smp s ASP 464 Cb -0.15 -2.21 1.64 0.00 -1.46 0.00 0.00 42.92 40.74 1smp s ASP 464 CO 0.04 -0.43 2.20 0.58 0.52 0.00 0.00 175.17 178.08 1smp h VAL 465 N 5.61 0.65 0.00 1.11 2.07 -1.99 0.33 116.25 124.03 1smp h VAL 465 Ca -0.29 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1smp h VAL 465 Cb 1.13 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1smp h VAL 465 CO 0.73 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.34 1smp h ALA 466 N 1.98 1.00 0.00 1.67 0.00 -2.00 -3.39 119.26 118.52 1smp h ALA 466 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1smp h ALA 466 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1smp h ALA 466 CO 0.00 0.00 -0.03 0.25 0.00 0.00 0.00 179.25 179.48 1smp n THR 467 N -2.65 0.00 -0.65 0.00 -2.24 -0.56 -4.91 114.28 103.27 1smp n THR 467 Ca 0.03 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1smp n THR 467 Cb 0.34 0.59 0.33 0.00 -2.10 0.00 0.00 70.33 69.49 1smp n THR 467 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1smp n ASP 468 N -0.07 4.91 -4.19 3.42 9.92 0.11 -4.90 116.55 125.74 1smp n ASP 468 Ca 0.00 -2.86 -0.20 0.00 -0.53 0.00 0.00 54.79 51.20 1smp n ASP 468 Cb 0.00 -0.68 -0.12 0.00 -0.64 0.00 0.00 41.12 39.68 1smp n ASP 468 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1smp s PHE 469 N -2.54 1.32 -0.18 1.24 0.40 -1.26 -1.15 117.98 115.81 1smp s PHE 469 Ca 0.47 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1smp s PHE 469 Cb 0.36 -0.74 0.03 0.00 0.51 0.00 0.00 43.02 43.18 1smp s PHE 469 CO 0.13 0.08 -0.14 0.42 0.70 0.00 0.00 175.22 176.41 1smp s ILE 470 N -1.17 1.73 0.00 0.64 1.01 -0.13 -4.88 121.20 118.39 1smp s ILE 470 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1smp s ILE 470 Cb -0.10 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1smp s ILE 470 CO 0.02 0.35 0.23 1.33 0.00 0.00 0.00 174.94 176.88