#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m5p n ALA 0 N 0.00 0.00 -3.84 -2.53 0.00 -1.26 -5.18 120.51 107.70 3m5p n ALA 0 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3m5p n ALA 0 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3m5p n ALA 0 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m5p s LEU 2 N 0.00 1.10 -0.07 0.00 2.96 -1.26 -5.10 118.68 116.30 3m5p s LEU 2 Ca 0.00 -0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 53.32 3m5p s LEU 2 Cb 0.00 -0.70 -0.17 0.00 0.50 0.00 0.00 46.19 45.82 3m5p s LEU 2 CO 0.00 -0.18 0.79 0.15 -1.32 0.00 0.00 176.35 175.79 3m5p h PHE 3 N 8.22 -0.11 -1.69 5.38 3.04 -1.97 -3.39 116.94 126.42 3m5p h PHE 3 Ca -0.24 -0.00 -0.69 0.00 3.98 0.00 0.00 57.97 61.02 3m5p h PHE 3 Cb 1.12 0.04 -0.14 0.00 2.56 0.00 0.00 35.95 39.53 3m5p h PHE 3 CO 0.45 0.42 1.53 0.00 -2.02 0.00 0.00 178.31 178.68 3m5p s ASP 5 N 3.68 4.33 0.35 0.00 -4.77 -1.26 -5.01 116.67 113.99 3m5p s ASP 5 Ca 0.45 -1.57 0.03 0.00 -3.30 0.00 0.00 52.55 48.16 3m5p s ASP 5 Cb -0.01 0.65 0.64 0.00 -1.09 0.00 0.00 42.92 43.12 3m5p s ASP 5 CO -0.01 -1.02 1.99 0.44 0.70 0.00 0.00 175.17 177.27 3m5p h ASP 6 N 1.06 0.67 -0.50 2.11 3.32 -1.96 -2.50 116.42 118.62 3m5p h ASP 6 Ca -0.41 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 56.69 3m5p h ASP 6 Cb 1.32 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 3m5p h ASP 6 CO 0.67 0.53 0.09 -1.28 -1.72 0.00 0.00 179.24 177.53 3m5p h SER 7 N 0.77 -0.02 -0.62 6.45 0.87 -1.96 -2.24 113.55 116.81 3m5p h SER 7 Ca 0.20 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3m5p h SER 7 Cb -0.01 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3m5p h SER 7 CO -0.04 0.02 0.34 0.11 -0.53 0.00 0.00 176.83 176.73 3m5p h LYS 8 N 0.22 0.86 -0.29 2.24 1.79 -1.75 -2.47 116.57 117.18 3m5p h LYS 8 Ca 0.25 -0.10 0.02 0.00 -2.18 0.00 0.00 60.65 58.64 3m5p h LYS 8 Cb 0.34 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3m5p h LYS 8 CO -0.34 0.66 0.19 0.87 -1.08 0.00 0.00 179.45 179.75 3m5p h LYS 9 N 0.84 0.29 0.00 3.15 1.57 -1.29 -2.17 116.57 118.96 3m5p h LYS 9 Ca 0.22 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3m5p h LYS 9 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3m5p h LYS 9 CO -0.03 0.19 -0.34 1.88 -0.57 0.00 0.00 179.45 180.58 3m5p h TYR 10 N 0.30 0.00 -0.65 -1.35 0.99 -0.98 -3.31 116.97 111.98 3m5p h TYR 10 Ca 0.12 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.92 3m5p h TYR 10 Cb 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.78 3m5p h TYR 10 CO -0.00 0.12 0.43 -0.07 -0.00 0.00 0.00 178.16 178.64 3m5p h LEU 11 N 0.00 0.52 -1.99 3.88 3.38 -1.05 -1.24 115.31 118.80 3m5p h LEU 11 Ca -0.01 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3m5p h LEU 11 Cb 1.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3m5p h LEU 11 CO 0.01 0.33 0.31 0.50 0.09 0.00 0.00 178.44 179.68 3m5p h LYS 12 N 0.59 0.01 0.00 1.13 3.64 -1.67 -1.64 116.57 118.63 3m5p h LYS 12 Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3m5p h LYS 12 Cb 0.36 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3m5p h LYS 12 CO -0.09 0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.49 3m5p n GLU 13 N -4.41 0.46 0.33 1.90 -0.58 -0.47 -1.48 120.64 116.38 3m5p n GLU 13 Ca 0.07 0.05 0.22 0.00 -0.42 0.00 0.00 57.16 57.09 3m5p n GLU 13 Cb 0.50 -1.50 1.15 0.00 -0.57 0.00 0.00 31.44 31.02 3m5p n GLU 13 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3m5p h GLN 14 N 0.00 0.00 -6.31 3.49 1.08 -1.45 -3.47 115.11 108.46 3m5p h GLN 14 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 3m5p h GLN 14 Cb 0.10 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.57 3m5p h GLN 14 CO 0.00 0.00 -0.92 -1.71 -0.95 0.00 0.00 178.83 175.25 3m5p n ASN 15 N -3.08 -3.35 -4.71 1.46 5.15 -0.55 -4.84 115.26 105.34 3m5p n ASN 15 Ca -0.02 -1.00 -0.43 0.00 -0.60 0.00 0.00 54.58 52.53 3m5p n ASN 15 Cb 0.11 -3.31 -0.03 0.00 -0.53 0.00 0.00 39.78 36.02 3m5p n ASN 15 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3m5p n ILE 16 N -4.28 0.17 -3.99 -1.44 2.08 -1.26 -4.97 119.36 105.67 3m5p n ILE 16 Ca -0.18 -0.04 -0.33 0.00 0.56 0.00 0.00 62.75 62.75 3m5p n ILE 16 Cb 0.63 -1.89 -0.14 0.00 -0.75 0.00 0.00 39.64 37.48 3m5p n ILE 16 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3m5p s ASN 17 N 1.01 4.66 0.16 4.38 3.84 -1.26 -5.02 114.94 122.71 3m5p s ASN 17 Ca 0.74 -1.33 -0.15 0.00 0.21 0.00 0.00 52.86 52.33 3m5p s ASN 17 Cb -0.54 -1.63 0.06 0.00 -0.55 0.00 0.00 41.25 38.59 3m5p s ASN 17 CO 0.36 -0.22 1.79 -0.07 -2.79 0.00 0.00 177.10 176.16 3m5p h LEU 18 N 7.89 0.34 -0.59 3.21 3.38 -1.93 -1.36 115.31 126.24 3m5p h LEU 18 Ca -0.20 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3m5p h LEU 18 Cb 1.05 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3m5p h LEU 18 CO 0.50 0.25 0.29 0.50 0.09 0.00 0.00 178.44 180.06 3m5p h LYS 19 N 0.45 0.52 -0.66 1.13 3.64 -1.97 -1.58 116.57 118.10 3m5p h LYS 19 Ca 0.17 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3m5p h LYS 19 Cb 0.05 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3m5p h LYS 19 CO -0.10 0.34 0.14 -0.91 -2.27 0.00 0.00 179.45 176.66 3m5p h ASN 20 N 0.53 0.99 -0.46 4.20 2.35 -1.89 -1.63 115.58 119.67 3m5p h ASN 20 Ca 0.27 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3m5p h ASN 20 Cb 0.22 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3m5p h ASN 20 CO -0.21 0.96 0.05 -0.33 -1.65 0.00 0.00 177.43 176.26 3m5p h GLU 21 N 0.99 0.78 -0.16 0.81 4.39 -0.56 -1.88 114.58 118.96 3m5p h GLU 21 Ca 0.21 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 3m5p h GLU 21 Cb 0.37 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3m5p h GLU 21 CO 0.00 0.81 -0.39 0.74 -1.16 0.00 0.00 179.01 179.01 3m5p h PHE 22 N 0.64 0.42 -0.52 4.33 0.04 -1.27 0.20 116.94 120.79 3m5p h PHE 22 Ca 0.14 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3m5p h PHE 22 Cb 0.42 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3m5p h PHE 22 CO 0.03 0.71 -0.01 0.22 -0.60 0.00 0.00 178.31 178.66 3m5p h ASP 23 N 0.30 0.90 0.17 2.17 3.58 -1.13 -3.34 116.42 119.07 3m5p h ASP 23 Ca 0.03 -0.31 -0.08 0.00 0.42 0.00 0.00 57.03 57.09 3m5p h ASP 23 Cb 0.83 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3m5p h ASP 23 CO 0.07 0.99 -1.91 2.29 -2.88 0.00 0.00 179.24 177.80 3m5p n LYS 24 N -4.29 0.66 -3.63 0.28 2.85 -0.72 -4.78 118.16 108.53 3m5p n LYS 24 Ca 0.01 -0.10 -0.39 0.00 -1.05 0.00 0.00 58.31 56.78 3m5p n LYS 24 Cb 0.33 -1.58 -0.09 0.00 -0.65 0.00 0.00 35.03 33.04 3m5p n LYS 24 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3m5p s ASP 25 N -4.88 5.55 0.16 -5.58 2.15 0.70 -4.93 116.67 109.84 3m5p s ASP 25 Ca -0.07 -2.11 0.18 0.00 0.43 0.00 0.00 52.55 50.98 3m5p s ASP 25 Cb 0.12 -1.94 0.79 0.00 -0.30 0.00 0.00 42.92 41.58 3m5p s ASP 25 CO 0.87 -0.60 1.55 0.47 -0.17 0.00 0.00 175.17 177.29 3m5p n ASP 26 N 4.58 0.38 -0.79 -0.34 8.00 -1.26 -2.32 116.55 124.80 3m5p n ASP 26 Ca -0.03 0.62 0.07 0.00 0.71 0.00 0.00 54.79 56.15 3m5p n ASP 26 Cb 0.41 -0.69 0.20 0.00 -0.02 0.00 0.00 41.12 41.02 3m5p n ASP 26 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m5p n LYS 27 N -1.94 2.92 -0.18 -1.24 5.02 -1.26 -4.75 118.16 116.73 3m5p n LYS 27 Ca 0.02 -2.27 -0.01 0.00 -2.02 0.00 0.00 58.31 54.02 3m5p n LYS 27 Cb 0.15 -1.42 0.09 0.00 -0.02 0.00 0.00 35.03 33.83 3m5p n LYS 27 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3m5p h ARG 28 N 2.29 0.35 -0.34 1.97 2.43 -1.80 -0.35 114.38 118.93 3m5p h ARG 28 Ca 0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 3m5p h ARG 28 Cb 0.91 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3m5p h ARG 28 CO 0.05 0.23 -0.25 0.28 -1.51 0.00 0.00 179.97 178.77 3m5p h VAL 29 N 0.36 1.29 -0.96 0.20 2.07 -1.85 -1.85 116.25 115.51 3m5p h VAL 29 Ca 0.28 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3m5p h VAL 29 Cb 0.33 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3m5p h VAL 29 CO -0.29 0.46 0.58 -0.08 0.02 0.00 0.00 177.57 178.26 3m5p h GLU 30 N 0.55 1.30 -0.44 1.57 4.81 -1.78 -2.03 114.58 118.56 3m5p h GLU 30 Ca 0.07 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 3m5p h GLU 30 Cb 0.82 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3m5p h GLU 30 CO 0.07 0.90 -0.26 0.87 -0.73 0.00 0.00 179.01 179.86 3m5p h LYS 31 N 1.32 0.95 -1.09 1.92 1.57 -0.92 -3.32 116.57 117.00 3m5p h LYS 31 Ca 0.34 -0.43 -0.59 0.00 -1.87 0.00 0.00 60.65 58.11 3m5p h LYS 31 Cb -0.07 -0.02 -0.40 0.00 0.08 0.00 0.00 32.23 31.82 3m5p h LYS 31 CO -0.07 1.09 -0.48 1.19 -0.57 0.00 0.00 179.45 180.61 3m5p n PHE 32 N -4.09 3.02 -3.92 -1.35 3.72 -0.71 -4.96 117.46 109.17 3m5p n PHE 32 Ca -0.00 -2.59 -0.09 0.00 -0.05 0.00 0.00 57.45 54.72 3m5p n PHE 32 Cb 0.48 -0.44 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 3m5p n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3m5p s SER 33 N -3.22 0.17 0.04 4.37 1.04 -0.79 -1.31 113.70 114.00 3m5p s SER 33 Ca 0.52 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 3m5p s SER 33 Cb 0.42 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 3m5p s SER 33 CO -0.06 -0.56 0.00 -0.76 0.98 0.00 0.00 173.24 172.84 3m5p s LEU 34 N -2.31 2.26 -0.03 2.42 1.43 -0.17 -4.93 118.68 117.35 3m5p s LEU 34 Ca -0.02 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3m5p s LEU 34 Cb 0.01 0.28 -0.01 0.00 0.03 0.00 0.00 46.19 46.51 3m5p s LEU 34 CO -0.06 -0.52 -0.16 -0.54 0.23 0.00 0.00 176.35 175.30 3m5p s LYS 35 N -3.09 1.53 -0.24 1.70 1.02 -1.26 -0.36 119.74 119.04 3m5p s LYS 35 Ca -0.01 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.38 3m5p s LYS 35 Cb 0.02 -1.39 0.08 0.00 -0.52 0.00 0.00 37.83 36.01 3m5p s LYS 35 CO -0.07 0.28 0.06 -1.58 -0.92 0.00 0.00 175.35 173.12 3m5p s HIS 36 N -0.11 1.10 0.00 3.18 2.46 -0.17 -5.01 115.29 116.74 3m5p s HIS 36 Ca 0.00 -1.08 0.00 0.00 0.47 0.00 0.00 55.06 54.46 3m5p s HIS 36 Cb -0.09 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.18 3m5p s HIS 36 CO 0.01 -0.70 0.00 1.04 -2.47 0.00 0.00 174.74 172.61 3m5p n GLN 37 N 5.03 0.00 -1.25 2.88 6.02 -1.26 -0.67 117.38 128.13 3m5p n GLN 37 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.67 3m5p n GLN 37 Cb 0.45 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.85 3m5p n GLN 37 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3m5p n ASN 38 N 6.27 4.96 -4.35 1.08 3.02 -1.26 -4.83 115.26 120.14 3m5p n ASN 38 Ca 0.00 -3.70 -0.33 0.00 -0.03 0.00 0.00 54.58 50.52 3m5p n ASN 38 Cb 0.00 -0.83 -0.14 0.00 -0.61 0.00 0.00 39.78 38.19 3m5p n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3m5p s ILE 39 N -3.87 3.09 -0.23 2.41 1.01 0.16 -1.64 121.20 122.13 3m5p s ILE 39 Ca 0.58 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 3m5p s ILE 39 Cb 0.48 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3m5p s ILE 39 CO 0.05 0.51 0.02 -0.47 0.00 0.00 0.00 174.94 175.05 3m5p s TYR 40 N 0.58 3.03 -0.41 3.97 5.04 0.15 -1.00 117.35 128.72 3m5p s TYR 40 Ca -0.07 -0.62 -0.08 0.00 -2.44 0.00 0.00 57.07 53.87 3m5p s TYR 40 Cb -0.15 -2.17 0.08 0.00 0.35 0.00 0.00 41.96 40.07 3m5p s TYR 40 CO 0.03 -0.42 0.24 0.12 -1.34 0.00 0.00 175.55 174.18 3m5p s PHE 41 N 1.50 3.38 -0.41 4.97 5.36 0.51 -0.56 117.98 132.74 3m5p s PHE 41 Ca 0.06 -1.73 -0.08 0.00 -0.96 0.00 0.00 56.93 54.22 3m5p s PHE 41 Cb -0.15 -2.98 0.08 0.00 -0.34 0.00 0.00 43.02 39.63 3m5p s PHE 41 CO 0.01 -0.88 0.23 0.34 -1.46 0.00 0.00 175.22 173.46 3m5p s ASP 42 N 2.05 5.52 -0.20 6.13 2.15 -0.06 -1.00 116.67 131.27 3m5p s ASP 42 Ca 0.03 -1.55 0.16 0.00 0.43 0.00 0.00 52.55 51.62 3m5p s ASP 42 Cb -0.23 -1.94 0.62 0.00 -0.30 0.00 0.00 42.92 41.07 3m5p s ASP 42 CO 0.01 -0.51 1.53 0.00 -0.17 0.00 0.00 175.17 176.02 3m5p n TYR 43 N 4.85 1.30 0.24 -5.34 0.18 -0.43 -1.26 117.16 116.70 3m5p n TYR 43 Ca -0.09 -0.83 0.12 0.00 1.88 0.00 0.00 57.90 58.98 3m5p n TYR 43 Cb 0.43 -0.38 0.47 0.00 -0.38 0.00 0.00 39.34 39.48 3m5p n TYR 43 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3m5p h SER 44 N 2.50 0.00 -0.19 9.48 4.64 -1.69 -2.43 113.55 125.86 3m5p h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m5p h SER 44 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3m5p h SER 44 CO 0.31 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 3m5p n LYS 45 N -3.24 1.84 -2.63 4.77 5.02 -1.25 -4.90 118.16 117.78 3m5p n LYS 45 Ca 0.01 -0.86 -0.29 0.00 -2.02 0.00 0.00 58.31 55.15 3m5p n LYS 45 Cb 0.42 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 3m5p n LYS 45 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3m5p s ASN 46 N -0.60 6.37 -1.51 4.39 0.01 -0.92 -2.42 114.94 120.26 3m5p s ASN 46 Ca 0.15 1.08 -0.12 0.00 -0.71 0.00 0.00 52.86 53.26 3m5p s ASN 46 Cb 0.10 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.45 3m5p s ASN 46 CO 0.07 -0.54 2.47 0.18 -1.51 0.00 0.00 177.10 177.77 3m5p n LEU 47 N -1.92 7.54 -4.16 0.60 4.77 -1.26 -4.83 117.00 117.74 3m5p n LEU 47 Ca 0.02 -4.25 -0.10 0.00 -0.03 0.00 0.00 56.01 51.65 3m5p n LEU 47 Cb 0.54 -1.61 -0.10 0.00 -2.33 0.00 0.00 43.42 39.92 3m5p n LEU 47 CO 0.51 1.47 -0.36 0.27 -1.33 0.00 0.00 177.39 177.95 3m5p s ILE 48 N 2.65 0.53 0.16 -0.08 -4.36 -1.26 -4.90 121.20 113.94 3m5p s ILE 48 Ca 0.55 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 59.06 3m5p s ILE 48 Cb 0.15 -1.74 -0.01 0.00 1.25 0.00 0.00 42.46 42.11 3m5p s ILE 48 CO -0.08 -0.81 0.12 -0.46 0.24 0.00 0.00 174.94 173.95 3m5p n ASN 49 N -0.04 -0.11 -0.18 4.36 0.23 -1.26 -5.02 115.26 113.24 3m5p n ASN 49 Ca -0.11 -2.02 -0.01 0.00 -0.53 0.00 0.00 54.58 51.91 3m5p n ASN 49 Cb 0.61 0.73 0.09 0.00 -2.08 0.00 0.00 39.78 39.14 3m5p n ASN 49 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3m5p h ASP 50 N 0.92 0.06 -0.28 0.53 3.32 -2.02 -1.13 116.42 117.83 3m5p h ASP 50 Ca -0.12 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3m5p h ASP 50 Cb 0.56 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3m5p h ASP 50 CO 0.17 0.05 0.12 0.22 -1.72 0.00 0.00 179.24 178.08 3m5p h TYR 51 N 0.29 0.42 -0.30 4.55 3.20 -1.98 0.62 116.97 123.77 3m5p h TYR 51 Ca 0.29 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3m5p h TYR 51 Cb 0.39 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3m5p h TYR 51 CO -0.22 0.41 0.13 0.82 -1.64 0.00 0.00 178.16 177.66 3m5p h ILE 52 N 0.30 1.17 -0.31 1.81 2.04 -1.88 -0.86 117.51 119.79 3m5p h ILE 52 Ca 0.09 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3m5p h ILE 52 Cb 0.17 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3m5p h ILE 52 CO -0.01 0.17 0.01 0.25 0.00 0.00 0.00 178.15 178.58 3m5p h LEU 53 N 0.33 0.53 -1.20 1.44 5.85 -0.99 -1.20 115.31 120.06 3m5p h LEU 53 Ca 0.10 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3m5p h LEU 53 Cb 0.16 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3m5p h LEU 53 CO -0.01 0.70 0.22 0.11 -0.34 0.00 0.00 178.44 179.11 3m5p h LYS 54 N 0.34 0.77 -0.46 1.25 1.57 -0.79 0.17 116.57 119.43 3m5p h LYS 54 Ca 0.09 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3m5p h LYS 54 Cb 0.42 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3m5p h LYS 54 CO 0.01 0.63 0.18 0.77 -0.57 0.00 0.00 179.45 180.48 3m5p h SER 55 N 0.76 0.63 -0.48 0.86 0.02 -0.84 0.13 113.55 114.64 3m5p h SER 55 Ca 0.18 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3m5p h SER 55 Cb 0.15 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3m5p h SER 55 CO -0.02 0.63 0.17 -0.07 -1.14 0.00 0.00 176.83 176.40 3m5p h LEU 56 N 0.60 0.68 -0.94 5.07 3.38 -0.26 -2.31 115.31 121.53 3m5p h LEU 56 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3m5p h LEU 56 Cb 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3m5p h LEU 56 CO -0.01 0.69 0.39 -0.07 0.09 0.00 0.00 178.44 179.52 3m5p h LEU 57 N 0.63 1.04 -0.76 1.67 3.38 -0.46 -2.00 115.31 118.82 3m5p h LEU 57 Ca 0.16 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3m5p h LEU 57 Cb 0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3m5p h LEU 57 CO -0.01 0.87 0.47 -0.08 0.09 0.00 0.00 178.44 179.79 3m5p h GLU 58 N 1.14 0.87 -0.36 1.13 4.81 -0.81 -0.05 114.58 121.32 3m5p h GLU 58 Ca 0.28 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3m5p h GLU 58 Cb 0.11 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3m5p h GLU 58 CO -0.04 0.58 0.17 1.03 -0.73 0.00 0.00 179.01 180.02 3m5p h SER 59 N 0.90 0.23 -0.40 1.04 0.87 -0.81 -0.86 113.55 114.52 3m5p h SER 59 Ca 0.32 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 3m5p h SER 59 Cb 0.08 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3m5p h SER 59 CO -0.14 0.17 0.19 0.00 -0.53 0.00 0.00 176.83 176.53 3m5p h ALA 60 N 1.20 0.51 -0.92 6.23 0.00 -0.83 -1.52 119.26 123.94 3m5p h ALA 60 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m5p h ALA 60 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3m5p h ALA 60 CO -0.12 0.08 0.57 0.93 0.00 0.00 0.00 179.25 180.71 3m5p h GLU 61 N 0.50 1.23 0.00 0.00 4.39 -0.75 -2.52 114.58 117.44 3m5p h GLU 61 Ca 0.14 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3m5p h GLU 61 Cb 0.13 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3m5p h GLU 61 CO -0.02 0.84 -0.06 0.87 -1.16 0.00 0.00 179.01 179.49 3m5p h LYS 62 N 1.25 0.00 0.00 2.33 1.79 -0.98 -3.46 116.57 117.50 3m5p h LYS 62 Ca 0.33 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.41 3m5p h LYS 62 Cb -0.09 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 30.75 3m5p h LYS 62 CO -0.07 0.06 0.18 -1.13 -1.08 0.00 0.00 179.45 177.41 3m5p n SER 63 N -3.13 -1.62 -0.17 0.86 3.41 -0.59 -4.94 113.62 107.44 3m5p n SER 63 Ca 0.02 -1.22 0.05 0.00 -0.26 0.00 0.00 58.87 57.46 3m5p n SER 63 Cb 0.47 -0.98 0.24 0.00 -0.26 0.00 0.00 64.21 63.67 3m5p n SER 63 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3m5p n SER 64 N -4.62 0.50 -0.16 4.04 3.41 -1.26 -4.54 113.62 110.98 3m5p n SER 64 Ca 0.15 -1.79 -0.03 0.00 -0.26 0.00 0.00 58.87 56.95 3m5p n SER 64 Cb 0.57 -0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 3m5p n SER 64 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3m5p h LEU 65 N 0.59 0.12 -0.61 1.04 5.85 -1.91 -0.75 115.31 119.65 3m5p h LEU 65 Ca 0.00 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3m5p h LEU 65 Cb 0.13 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3m5p h LEU 65 CO 0.00 0.09 0.19 0.50 -0.34 0.00 0.00 178.44 178.89 3m5p h LYS 66 N 0.32 0.34 -0.42 1.25 3.64 -1.84 0.17 116.57 120.03 3m5p h LYS 66 Ca 0.25 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 3m5p h LYS 66 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3m5p h LYS 66 CO -0.28 0.22 -0.14 -0.44 -2.27 0.00 0.00 179.45 176.54 3m5p h ASP 67 N 0.35 0.85 -0.55 4.20 3.32 -1.65 -3.03 116.42 119.91 3m5p h ASP 67 Ca 0.32 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3m5p h ASP 67 Cb 0.44 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3m5p h ASP 67 CO -0.35 1.04 0.16 0.11 -1.72 0.00 0.00 179.24 178.47 3m5p h LYS 68 N 0.65 0.91 -0.40 3.56 1.79 -0.43 0.40 116.57 123.05 3m5p h LYS 68 Ca 0.10 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3m5p h LYS 68 Cb 0.69 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 3m5p h LYS 68 CO 0.05 0.80 0.26 0.82 -1.08 0.00 0.00 179.45 180.30 3m5p h ILE 69 N 0.87 1.11 -0.67 1.86 2.04 -0.96 -2.67 117.51 119.08 3m5p h ILE 69 Ca 0.19 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3m5p h ILE 69 Cb 0.29 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3m5p h ILE 69 CO -0.00 0.10 0.29 0.11 0.00 0.00 0.00 178.15 178.65 3m5p h LYS 70 N 0.54 1.00 -1.42 2.37 1.57 -1.32 -2.38 116.57 116.93 3m5p h LYS 70 Ca 0.15 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3m5p h LYS 70 Cb -0.05 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3m5p h LYS 70 CO -0.03 0.82 0.00 1.04 -0.57 0.00 0.00 179.45 180.71 3m5p n GLN 71 N -4.42 0.23 0.00 3.15 6.02 0.09 -0.91 117.38 121.55 3m5p n GLN 71 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3m5p n GLN 71 Cb 0.16 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3m5p n GLN 71 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3m5p n PHE 73 N 0.77 0.00 1.24 1.08 3.72 -0.90 -1.05 117.46 122.32 3m5p n PHE 73 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3m5p n PHE 73 Cb 0.10 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.02 3m5p n PHE 73 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3m5p n ASN 74 N 0.00 1.67 0.00 4.37 2.04 -0.08 -4.93 115.26 118.33 3m5p n ASN 74 Ca 0.00 -1.70 0.00 0.00 -0.44 0.00 0.00 54.58 52.44 3m5p n ASN 74 Cb 0.00 -0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.15 3m5p n ASN 74 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3m5p n GLY 75 N 1.14 0.55 3.75 4.83 0.00 -1.04 -4.91 105.19 109.50 3m5p n GLY 75 Ca 0.16 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 3m5p n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m5p s ALA 76 N -2.00 2.30 -1.43 4.61 0.00 -0.22 -4.64 121.76 120.39 3m5p s ALA 76 Ca 0.00 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 3m5p s ALA 76 Cb 0.00 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.79 3m5p s ALA 76 CO 0.00 -1.55 2.36 1.63 0.00 0.00 0.00 175.76 178.20 3m5p n LYS 77 N -2.55 3.67 0.10 0.00 5.02 -1.26 -4.24 118.16 118.91 3m5p n LYS 77 Ca 0.12 -2.93 0.12 0.00 -2.02 0.00 0.00 58.31 53.59 3m5p n LYS 77 Cb 0.51 -2.92 0.45 0.00 -0.02 0.00 0.00 35.03 33.06 3m5p n LYS 77 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3m5p n ILE 78 N 3.47 0.71 -2.68 -0.18 -5.35 -1.18 -3.89 119.36 110.26 3m5p n ILE 78 Ca 0.58 0.05 -0.42 0.00 -0.27 0.00 0.00 62.75 62.69 3m5p n ILE 78 Cb 0.31 -0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 37.28 3m5p n ILE 78 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3m5p s ASN 79 N -4.11 6.65 0.25 7.28 3.84 -0.66 -4.83 114.94 123.35 3m5p s ASN 79 Ca 0.07 -1.92 0.24 0.00 0.21 0.00 0.00 52.86 51.47 3m5p s ASN 79 Cb 0.11 -2.52 0.38 0.00 -0.55 0.00 0.00 41.25 38.67 3m5p s ASN 79 CO 0.45 -1.28 1.45 0.77 -2.79 0.00 0.00 177.10 175.71 3m5p h SER 80 N 8.91 0.00 1.02 -4.21 4.64 -1.83 0.35 113.55 122.44 3m5p h SER 80 Ca 0.25 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 3m5p h SER 80 Cb 0.97 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 3m5p h SER 80 CO 1.35 0.03 -1.02 0.71 -0.87 0.00 0.00 176.83 177.02 3m5p h THR 81 N 0.00 1.22 -0.01 2.95 1.35 -1.91 -3.31 112.91 113.20 3m5p h THR 81 Ca 0.00 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3m5p h THR 81 Cb 0.87 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3m5p h THR 81 CO 0.00 0.70 -0.46 -0.62 -0.25 0.00 0.00 175.52 174.88 3m5p n GLU 82 N -3.22 1.27 -3.58 4.72 1.02 -1.17 -5.00 120.64 114.68 3m5p n GLU 82 Ca -0.03 -0.97 -0.23 0.00 -0.02 0.00 0.00 57.16 55.90 3m5p n GLU 82 Cb 0.89 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 30.91 3m5p n GLU 82 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3m5p n HIS 83 N -0.04 -2.05 -4.15 -0.32 8.25 0.03 -5.02 115.22 111.92 3m5p n HIS 83 Ca 0.09 0.72 -0.17 0.00 -0.26 0.00 0.00 57.72 58.09 3m5p n HIS 83 Cb 0.45 -4.03 -0.12 0.00 1.12 0.00 0.00 29.99 27.42 3m5p n HIS 83 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3m5p s ARG 84 N -5.57 0.76 0.96 -0.41 0.52 -0.68 -5.01 118.95 109.52 3m5p s ARG 84 Ca 0.27 -0.91 -0.12 0.00 -0.52 0.00 0.00 55.73 54.45 3m5p s ARG 84 Cb -0.07 -0.71 0.16 0.00 0.52 0.00 0.00 34.95 34.85 3m5p s ARG 84 CO 0.81 0.15 1.10 0.00 0.02 0.00 0.00 175.30 177.39 3m5p s ALA 85 N -1.30 1.27 -0.37 2.13 0.00 -1.26 -1.66 121.76 120.58 3m5p s ALA 85 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.59 3m5p s ALA 85 Cb -0.10 -3.11 0.13 0.00 0.00 0.00 0.00 23.12 20.04 3m5p s ALA 85 CO 0.02 -2.60 0.19 0.08 0.00 0.00 0.00 175.76 173.45 3m5p s VAL 86 N -3.03 0.73 -0.14 0.00 1.01 -1.26 -4.35 120.40 113.35 3m5p s VAL 86 Ca 0.64 -1.85 0.18 0.00 0.00 0.00 0.00 61.98 60.95 3m5p s VAL 86 Cb -0.17 -1.53 0.44 0.00 0.00 0.00 0.00 36.38 35.11 3m5p s VAL 86 CO 0.56 -0.86 1.18 0.18 0.00 0.00 0.00 175.10 176.17 3m5p n LEU 87 N 4.16 2.13 -0.09 3.92 4.77 -0.54 -4.69 117.00 126.66 3m5p n LEU 87 Ca 0.06 -3.13 0.15 0.00 -0.03 0.00 0.00 56.01 53.06 3m5p n LEU 87 Cb 0.38 -0.18 0.55 0.00 -2.33 0.00 0.00 43.42 41.84 3m5p n LEU 87 CO 0.16 1.08 1.19 1.12 -1.33 0.00 0.00 177.39 179.61 3m5p h HIS 88 N 1.32 0.33 -0.85 -1.77 2.07 -1.87 -1.04 115.15 113.35 3m5p h HIS 88 Ca -0.07 0.01 0.10 0.00 -2.85 0.00 0.00 60.37 57.56 3m5p h HIS 88 Cb 1.45 -0.11 -0.06 0.00 2.57 0.00 0.00 27.41 31.27 3m5p h HIS 88 CO 0.51 0.14 0.55 1.79 -3.07 0.00 0.00 177.93 177.85 3m5p h THR 89 N 0.30 0.96 0.00 6.12 1.35 -1.94 -2.06 112.91 117.64 3m5p h THR 89 Ca 0.30 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 65.84 3m5p h THR 89 Cb 0.78 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3m5p h THR 89 CO -0.07 0.15 -0.19 0.00 -0.25 0.00 0.00 175.52 175.15 3m5p h ALA 90 N 1.57 1.38 0.00 6.62 0.00 -1.55 -2.55 119.26 124.74 3m5p h ALA 90 Ca 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3m5p h ALA 90 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m5p h ALA 90 CO -0.16 0.24 -0.02 -0.07 0.00 0.00 0.00 179.25 179.23 3m5p h LEU 91 N 0.00 0.00 -3.02 0.00 3.38 -1.39 -2.65 115.31 111.63 3m5p h LEU 91 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m5p h LEU 91 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3m5p h LEU 91 CO 0.02 0.02 0.00 -2.11 0.09 0.00 0.00 178.44 176.47 3m5p n ARG 92 N -4.18 2.59 -1.77 1.13 0.00 -0.97 -4.90 116.66 108.55 3m5p n ARG 92 Ca -0.03 -2.14 -0.41 0.00 -0.00 0.00 0.00 57.85 55.27 3m5p n ARG 92 Cb 0.11 -1.34 -0.01 0.00 -0.00 0.00 0.00 32.46 31.21 3m5p n ARG 92 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3m5p s ASP 93 N -1.57 6.36 0.00 2.89 2.15 -1.00 -4.47 116.67 121.02 3m5p s ASP 93 Ca 0.21 2.97 0.00 0.00 0.43 0.00 0.00 52.55 56.17 3m5p s ASP 93 Cb 0.16 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 3m5p s ASP 93 CO 0.07 -0.92 0.36 0.18 -0.17 0.00 0.00 175.17 174.70 3m5p n LEU 94 N 1.93 0.73 0.06 -1.34 4.77 -1.26 -4.76 117.00 117.14 3m5p n LEU 94 Ca 0.07 -0.84 -0.05 0.00 -0.03 0.00 0.00 56.01 55.16 3m5p n LEU 94 Cb 0.38 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.61 3m5p n LEU 94 CO 0.64 0.18 0.55 0.77 -1.33 0.00 0.00 177.39 178.20 3m5p h SER 95 N 0.00 0.36 -1.02 -1.43 4.64 -2.00 -3.47 113.55 110.64 3m5p h SER 95 Ca 0.00 -0.18 -0.43 0.00 -0.47 0.00 0.00 61.79 60.71 3m5p h SER 95 Cb 0.02 -0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 61.83 3m5p h SER 95 CO 0.00 0.80 -0.39 -1.20 -0.87 0.00 0.00 176.83 175.17 3m5p n SER 96 N -3.96 -5.49 -4.74 4.97 7.64 -1.26 -4.99 113.62 105.79 3m5p n SER 96 Ca -0.02 0.51 -0.32 0.00 1.01 0.00 0.00 58.87 60.05 3m5p n SER 96 Cb 0.55 -4.85 0.10 0.00 -1.01 0.00 0.00 64.21 59.00 3m5p n SER 96 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3m5p s THR 97 N -2.77 2.79 0.26 0.44 -4.23 -1.26 -4.92 115.64 105.95 3m5p s THR 97 Ca 0.00 0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 3m5p s THR 97 Cb 0.00 -2.72 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 3m5p s THR 97 CO 0.00 -0.28 1.42 -2.84 -0.54 0.00 0.00 174.62 172.38 3m5p s PRO 98 N -4.42 4.28 -0.26 3.99 0.02 -1.26 -4.92 135.00 132.43 3m5p s PRO 98 Ca 0.67 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 3m5p s PRO 98 Cb -0.22 -3.11 0.15 0.00 0.02 0.00 0.00 34.50 31.34 3m5p s PRO 98 CO 0.50 -0.39 0.40 -1.17 -0.33 0.00 0.00 177.00 176.01 3m5p s LEU 99 N -0.52 -0.73 -0.18 -5.54 2.96 -1.26 -5.10 118.68 108.31 3m5p s LEU 99 Ca 0.58 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3m5p s LEU 99 Cb -0.41 1.18 0.03 0.00 0.50 0.00 0.00 46.19 47.48 3m5p s LEU 99 CO 0.44 -0.31 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.37 3m5p s ILE 100 N 2.56 1.88 -0.03 6.68 1.01 -1.26 -0.88 121.20 131.16 3m5p s ILE 100 Ca 0.12 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3m5p s ILE 100 Cb -0.14 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3m5p s ILE 100 CO -0.20 0.40 -0.03 -0.69 0.00 0.00 0.00 174.94 174.42 3m5p s VAL 101 N 1.34 0.37 -1.52 2.92 1.01 -0.21 -4.83 120.40 119.48 3m5p s VAL 101 Ca 0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3m5p s VAL 101 Cb -0.14 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 35.90 3m5p s VAL 101 CO -0.11 0.18 0.86 -0.67 0.00 0.00 0.00 175.10 175.36 3m5p n ASP 102 N 3.95 -3.60 0.00 3.32 2.03 -1.26 -1.53 116.55 119.46 3m5p n ASP 102 Ca -0.25 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3m5p n ASP 102 Cb 0.51 -3.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.30 3m5p n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m5p n GLY 103 N -1.65 0.62 3.49 0.27 0.00 -1.26 -5.00 105.19 101.66 3m5p n GLY 103 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3m5p n GLY 103 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m5p s GLN 104 N -0.34 2.46 -0.60 1.61 -0.21 -0.58 -5.06 119.66 116.95 3m5p s GLN 104 Ca 0.00 -0.73 -0.28 0.00 0.02 0.00 0.00 55.36 54.37 3m5p s GLN 104 Cb 0.00 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.65 3m5p s GLN 104 CO 0.00 0.61 1.37 0.34 -2.12 0.00 0.00 175.29 175.49 3m5p s ASP 105 N -0.92 6.15 0.34 5.90 -1.08 -1.26 -1.04 116.67 124.76 3m5p s ASP 105 Ca 0.13 0.11 0.06 0.00 -0.52 0.00 0.00 52.55 52.33 3m5p s ASP 105 Cb -0.11 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.42 3m5p s ASP 105 CO 0.02 -1.73 1.85 0.40 0.52 0.00 0.00 175.17 176.23 3m5p h ILE 106 N 6.30 1.21 -0.27 4.11 1.08 -1.35 -0.20 117.51 128.39 3m5p h ILE 106 Ca -0.27 -0.91 -0.03 0.00 -0.39 0.00 0.00 64.86 63.26 3m5p h ILE 106 Cb 1.08 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3m5p h ILE 106 CO 1.20 0.30 0.03 0.03 -0.69 0.00 0.00 178.15 179.02 3m5p h ARG 107 N 0.39 0.45 -0.55 2.37 2.47 -1.90 -0.31 114.38 117.30 3m5p h ARG 107 Ca 0.08 -0.13 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 3m5p h ARG 107 Cb 0.43 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 3m5p h ARG 107 CO 0.02 0.58 0.05 -0.56 0.56 0.00 0.00 179.97 180.62 3m5p h GLN 108 N 0.26 0.94 -0.19 0.04 3.07 -1.77 -2.11 115.11 115.35 3m5p h GLN 108 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 58.65 58.54 3m5p h GLN 108 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.81 3m5p h GLN 108 CO 0.01 0.92 0.10 0.93 0.09 0.00 0.00 178.83 180.88 3m5p h GLU 109 N 0.82 0.27 -0.14 0.06 4.39 -0.79 -0.64 114.58 118.56 3m5p h GLU 109 Ca 0.16 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3m5p h GLU 109 Cb 0.47 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3m5p h GLU 109 CO 0.02 0.28 0.01 0.28 -1.16 0.00 0.00 179.01 178.44 3m5p h VAL 110 N 0.18 1.24 -0.57 3.13 2.07 -1.05 -2.44 116.25 118.81 3m5p h VAL 110 Ca 0.07 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3m5p h VAL 110 Cb 0.10 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3m5p h VAL 110 CO -0.01 0.22 0.34 0.74 0.02 0.00 0.00 177.57 178.89 3m5p h THR 111 N -0.01 1.17 -0.36 2.57 2.02 -1.27 -1.53 112.91 115.50 3m5p h THR 111 Ca 0.04 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3m5p h THR 111 Cb 0.33 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3m5p h THR 111 CO 0.00 0.18 0.16 0.50 0.37 0.00 0.00 175.52 176.73 3m5p h LYS 112 N 0.77 0.52 -0.42 6.66 3.64 -1.08 -0.96 116.57 125.71 3m5p h LYS 112 Ca 0.21 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 3m5p h LYS 112 Cb -0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3m5p h LYS 112 CO -0.04 0.49 -0.15 1.49 -2.27 0.00 0.00 179.45 178.97 3m5p h GLU 113 N 0.44 0.78 -0.60 1.90 4.57 -1.23 -1.64 114.58 118.80 3m5p h GLU 113 Ca 0.12 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3m5p h GLU 113 Cb 0.15 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3m5p h GLU 113 CO -0.01 0.88 0.39 0.87 -1.18 0.00 0.00 179.01 179.95 3m5p h LYS 114 N 0.69 0.76 -0.72 1.92 1.57 -1.02 -1.12 116.57 118.65 3m5p h LYS 114 Ca 0.11 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3m5p h LYS 114 Cb 0.64 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 3m5p h LYS 114 CO 0.04 0.50 0.42 1.96 -0.57 0.00 0.00 179.45 181.80 3m5p h GLN 115 N 0.78 0.74 -0.47 3.15 4.20 -0.74 0.40 115.11 123.16 3m5p h GLN 115 Ca 0.23 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3m5p h GLN 115 Cb -0.05 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3m5p h GLN 115 CO -0.07 0.49 0.14 0.00 -0.67 0.00 0.00 178.83 178.73 3m5p h ARG 116 N 0.76 0.72 -0.42 1.46 3.08 -0.74 -0.98 114.38 118.27 3m5p h ARG 116 Ca 0.32 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3m5p h ARG 116 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3m5p h ARG 116 CO -0.18 0.69 0.14 0.28 -1.07 0.00 0.00 179.97 179.83 3m5p h VAL 117 N 0.62 1.21 -0.52 2.04 2.07 -0.90 -1.37 116.25 119.40 3m5p h VAL 117 Ca 0.15 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3m5p h VAL 117 Cb 0.27 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3m5p h VAL 117 CO -0.00 0.24 0.26 0.50 0.02 0.00 0.00 177.57 178.59 3m5p h LYS 118 N 0.53 0.49 -0.66 1.57 3.64 -0.82 -0.22 116.57 121.09 3m5p h LYS 118 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3m5p h LYS 118 Cb 0.24 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3m5p h LYS 118 CO -0.01 0.32 0.29 1.49 -2.27 0.00 0.00 179.45 179.27 3m5p h GLU 119 N 0.51 0.97 0.20 1.90 4.81 -1.00 -0.96 114.58 121.01 3m5p h GLU 119 Ca 0.23 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3m5p h GLU 119 Cb 0.14 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3m5p h GLU 119 CO -0.16 0.80 -0.09 1.25 -0.73 0.00 0.00 179.01 180.07 3m5p h LEU 120 N 0.92 -0.22 -0.32 1.64 5.85 -0.59 -0.39 115.31 122.20 3m5p h LEU 120 Ca 0.22 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3m5p h LEU 120 Cb 0.17 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3m5p h LEU 120 CO -0.02 -0.12 0.12 0.58 -0.34 0.00 0.00 178.44 178.65 3m5p h VAL 121 N -0.30 0.92 -0.83 1.05 2.07 -0.90 -0.87 116.25 117.39 3m5p h VAL 121 Ca -0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3m5p h VAL 121 Cb 0.23 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3m5p h VAL 121 CO 0.04 0.05 0.39 -0.08 0.02 0.00 0.00 177.57 177.99 3m5p h GLU 122 N 0.26 1.21 -0.63 1.57 4.57 -1.08 0.81 114.58 121.29 3m5p h GLU 122 Ca 0.14 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 3m5p h GLU 122 Cb 0.11 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3m5p h GLU 122 CO -0.14 0.93 0.06 0.87 -1.18 0.00 0.00 179.01 179.55 3m5p h LYS 123 N 1.19 1.06 -0.06 1.92 1.57 -0.58 -0.66 116.57 121.01 3m5p h LYS 123 Ca 0.28 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3m5p h LYS 123 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3m5p h LYS 123 CO -0.03 1.00 -0.08 0.28 -0.57 0.00 0.00 179.45 180.04 3m5p h VAL 124 N 0.98 1.39 -0.34 0.50 2.07 -0.95 -0.32 116.25 119.59 3m5p h VAL 124 Ca 0.19 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 3m5p h VAL 124 Cb 0.48 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3m5p h VAL 124 CO 0.02 0.36 -0.18 0.58 0.02 0.00 0.00 177.57 178.37 3m5p h VAL 125 N -0.30 1.26 0.00 2.57 2.07 -0.77 -2.70 116.25 118.39 3m5p h VAL 125 Ca 0.01 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3m5p h VAL 125 Cb 0.62 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3m5p h VAL 125 CO 0.02 0.40 0.00 0.77 0.02 0.00 0.00 177.57 178.78 3m5p h SER 126 N 0.56 0.00 0.00 0.57 4.64 -1.19 -3.47 113.55 114.66 3m5p h SER 126 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3m5p h SER 126 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3m5p h SER 126 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3m5p n GLY 127 N 0.45 0.79 0.21 -0.77 0.00 -1.02 -4.97 105.19 99.88 3m5p n GLY 127 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3m5p n GLY 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3m5p h ARG 128 N 2.75 0.59 -6.30 1.61 2.43 -1.36 -3.41 114.38 110.69 3m5p h ARG 128 Ca 0.00 -0.43 -0.55 0.00 -0.81 0.00 0.00 59.98 58.19 3m5p h ARG 128 Cb 0.00 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3m5p h ARG 128 CO 0.00 1.05 0.61 -0.46 -1.51 0.00 0.00 179.97 179.66 3m5p s TRP 129 N -3.84 3.38 0.19 2.20 -0.11 -0.58 -5.01 118.94 115.18 3m5p s TRP 129 Ca -0.08 1.43 0.10 0.00 1.22 0.00 0.00 56.10 58.77 3m5p s TRP 129 Cb 0.10 -3.29 -0.04 0.00 -1.50 0.00 0.00 33.47 28.74 3m5p s TRP 129 CO 0.86 -0.71 -0.20 1.03 -4.62 0.00 0.00 176.95 173.31 3m5p s ARG 130 N 2.01 1.42 1.23 5.86 1.81 -1.26 -4.42 118.95 125.59 3m5p s ARG 130 Ca 0.52 -1.51 -0.19 0.00 -1.72 0.00 0.00 55.73 52.83 3m5p s ARG 130 Cb -0.22 -1.56 0.30 0.00 -0.45 0.00 0.00 34.95 33.02 3m5p s ARG 130 CO 0.21 0.32 1.06 0.20 -0.68 0.00 0.00 175.30 176.41 3m5p s GLY 131 N -2.82 1.54 0.45 -3.53 0.00 0.24 -4.84 107.32 98.35 3m5p s GLY 131 Ca 0.20 -0.81 0.16 0.00 0.00 0.00 0.00 44.72 44.27 3m5p s GLY 131 CO 0.09 0.07 1.98 -2.75 0.00 0.00 0.00 173.10 172.49 3m5p h PHE 132 N -2.71 0.00 -0.28 1.90 3.57 -1.84 -0.45 116.94 117.13 3m5p h PHE 132 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3m5p h PHE 132 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3m5p h PHE 132 CO -1.98 0.20 0.00 -1.13 -2.23 0.00 0.00 178.31 173.16 3m5p n SER 133 N -4.20 1.93 0.00 0.41 3.41 -1.26 -4.92 113.62 108.99 3m5p n SER 133 Ca -0.02 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3m5p n SER 133 Cb 0.26 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3m5p n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m5p n GLY 134 N 1.14 0.75 3.87 5.00 0.00 -0.18 -5.07 105.19 110.71 3m5p n GLY 134 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3m5p n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m5p s LYS 135 N -0.50 3.86 0.36 1.61 1.02 -1.26 -4.74 119.74 120.09 3m5p s LYS 135 Ca 0.00 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 3m5p s LYS 135 Cb 0.00 -2.57 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 3m5p s LYS 135 CO 0.00 0.25 1.20 0.21 -0.92 0.00 0.00 175.35 176.10 3m5p s LYS 136 N -2.92 4.25 0.24 1.68 2.20 -1.26 -0.60 119.74 123.33 3m5p s LYS 136 Ca 0.49 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.77 3m5p s LYS 136 Cb -0.11 -2.90 -0.09 0.00 -1.51 0.00 0.00 37.83 33.23 3m5p s LYS 136 CO 0.21 -0.19 1.13 0.42 -0.36 0.00 0.00 175.35 176.56 3m5p s ILE 137 N -1.28 3.54 0.00 5.43 -1.09 -1.26 -4.71 121.20 121.84 3m5p s ILE 137 Ca 0.52 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 3m5p s ILE 137 Cb -0.34 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3m5p s ILE 137 CO 0.44 0.30 0.00 0.35 -1.23 0.00 0.00 174.94 174.80 3m5p n THR 138 N 1.70 0.00 -3.89 2.92 -2.24 0.44 -4.94 114.28 108.27 3m5p n THR 138 Ca 0.01 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 3m5p n THR 138 Cb 0.45 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 3m5p n THR 138 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3m5p s ASP 139 N -1.82 0.03 -0.08 3.42 1.01 -0.99 -1.90 116.67 116.34 3m5p s ASP 139 Ca 0.00 -0.07 0.05 0.00 0.71 0.00 0.00 52.55 53.24 3m5p s ASP 139 Cb 0.00 0.06 -0.00 0.00 1.01 0.00 0.00 42.92 43.99 3m5p s ASP 139 CO 0.00 -0.08 -0.24 -0.63 0.21 0.00 0.00 175.17 174.43 3m5p s ILE 140 N -0.33 2.04 -0.21 0.77 -1.09 0.20 -1.22 121.20 121.37 3m5p s ILE 140 Ca -0.04 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 3m5p s ILE 140 Cb -0.02 -1.75 0.05 0.00 -1.58 0.00 0.00 42.46 39.15 3m5p s ILE 140 CO -0.00 0.56 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.47 3m5p s VAL 141 N 0.13 1.78 -0.10 2.92 1.01 -0.25 -0.78 120.40 125.10 3m5p s VAL 141 Ca -0.12 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 60.48 3m5p s VAL 141 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3m5p s VAL 141 CO 0.07 0.14 0.73 0.21 0.00 0.00 0.00 175.10 176.25 3m5p s ASN 142 N 1.33 6.97 -0.26 3.32 2.47 0.10 -0.47 114.94 128.39 3m5p s ASN 142 Ca -0.03 1.17 -0.00 0.00 0.42 0.00 0.00 52.86 54.42 3m5p s ASN 142 Cb -0.17 -2.42 0.04 0.00 -1.45 0.00 0.00 41.25 37.25 3m5p s ASN 142 CO -0.08 -0.19 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.42 3m5p s ILE 143 N 1.16 2.69 -0.13 -5.21 1.01 0.75 -0.53 121.20 120.94 3m5p s ILE 143 Ca 0.37 -1.26 -0.34 0.00 0.00 0.00 0.00 60.65 59.43 3m5p s ILE 143 Cb -0.17 -2.45 0.14 0.00 0.01 0.00 0.00 42.46 39.98 3m5p s ILE 143 CO 0.17 0.09 1.35 -0.83 0.00 0.00 0.00 174.94 175.71 3m5p s GLY 144 N 1.25 -0.37 0.03 6.18 0.00 -0.47 -0.29 107.32 113.65 3m5p s GLY 144 Ca -0.03 1.22 0.01 0.00 0.00 0.00 0.00 44.72 45.92 3m5p s GLY 144 CO -0.04 0.33 -0.05 -1.50 0.00 0.00 0.00 173.10 171.84 3m5p s ILE 145 N -2.21 0.28 0.00 0.90 2.07 -1.26 -3.84 121.20 117.14 3m5p s ILE 145 Ca 0.13 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 3m5p s ILE 145 Cb 0.03 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.21 3m5p s ILE 145 CO -0.05 -0.47 0.00 0.61 -1.91 0.00 0.00 174.94 173.13 3m5p n GLY 146 N 1.52 3.46 0.31 1.50 0.00 -1.26 -2.01 105.19 108.70 3m5p n GLY 146 Ca -0.23 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 45.87 3m5p n GLY 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m5p h GLY 147 N 0.00 0.00 -2.02 -0.02 0.00 -1.98 0.99 103.07 100.05 3m5p h GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m5p h GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3m5p n SER 148 N -3.56 2.99 0.07 0.19 7.64 -0.85 -4.52 113.62 115.58 3m5p n SER 148 Ca -0.03 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.69 3m5p n SER 148 Cb 0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 3m5p n SER 148 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3m5p n ASP 149 N 0.78 -0.05 -0.18 6.43 2.03 -0.47 -4.22 116.55 120.88 3m5p n ASP 149 Ca 0.17 0.24 -0.09 0.00 0.52 0.00 0.00 54.79 55.62 3m5p n ASP 149 Cb 0.53 0.18 0.01 0.00 -0.72 0.00 0.00 41.12 41.12 3m5p n ASP 149 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3m5p h LEU 150 N 0.00 0.84 0.13 -2.67 5.85 -1.09 -1.02 115.31 117.35 3m5p h LEU 150 Ca 0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3m5p h LEU 150 Cb 0.04 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3m5p h LEU 150 CO 0.00 0.91 -0.06 1.23 -0.34 0.00 0.00 178.44 180.18 3m5p h GLY 151 N 0.74 -0.18 0.89 3.75 0.00 -1.81 -3.05 103.07 103.41 3m5p h GLY 151 Ca 0.15 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.57 3m5p h GLY 151 CO 0.02 -0.07 0.48 -2.55 0.00 0.00 0.00 176.54 174.42 3m5p h PRO 152 N -0.40 0.91 -0.21 4.80 0.11 -1.86 -0.50 132.00 134.85 3m5p h PRO 152 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m5p h PRO 152 Cb 0.32 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3m5p h PRO 152 CO 0.03 0.60 0.00 1.17 -0.21 0.00 0.00 178.00 179.59 3m5p n LYS 153 N -4.62 0.14 0.00 1.05 4.81 -0.40 -0.84 118.16 118.31 3m5p n LYS 153 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3m5p n LYS 153 Cb 0.08 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.04 3m5p n LYS 153 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3m5p n VAL 155 N 0.45 0.00 -0.30 3.15 0.31 -0.20 -2.00 118.33 119.74 3m5p n VAL 155 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3m5p n VAL 155 Cb 0.04 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.09 3m5p n VAL 155 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3m5p h VAL 156 N 0.00 1.07 -0.10 2.52 2.07 -1.22 0.11 116.25 120.69 3m5p h VAL 156 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3m5p h VAL 156 Cb 0.00 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3m5p h VAL 156 CO 0.00 0.18 0.02 -0.09 0.02 0.00 0.00 177.57 177.70 3m5p h ARG 157 N 0.97 0.16 -0.01 1.57 9.65 -1.64 -2.83 114.38 122.26 3m5p h ARG 157 Ca 0.35 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.14 3m5p h ARG 157 Cb 0.11 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3m5p h ARG 157 CO -0.15 0.35 -0.22 0.00 2.80 0.00 0.00 179.97 182.75 3m5p h ALA 158 N 0.81 1.62 -0.55 2.80 0.00 -1.30 -2.48 119.26 120.16 3m5p h ALA 158 Ca 0.03 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 3m5p h ALA 158 Cb 0.26 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 3m5p h ALA 158 CO 0.00 0.29 0.16 1.28 0.00 0.00 0.00 179.25 180.98 3m5p n LEU 159 N -4.27 5.11 -0.30 0.00 4.77 -0.03 -4.71 117.00 117.56 3m5p n LEU 159 Ca -0.02 -3.38 0.12 0.00 -0.03 0.00 0.00 56.01 52.69 3m5p n LEU 159 Cb 0.28 -0.68 0.29 0.00 -2.33 0.00 0.00 43.42 40.98 3m5p n LEU 159 CO 0.37 0.94 1.05 -0.61 -1.33 0.00 0.00 177.39 177.80 3m5p h GLN 160 N 1.78 0.41 0.00 3.23 -0.00 -1.18 0.11 115.11 119.47 3m5p h GLN 160 Ca 0.24 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 3m5p h GLN 160 Cb 2.01 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 29.40 3m5p h GLN 160 CO 0.57 0.27 0.00 -1.35 0.00 0.00 0.00 178.83 178.32 3m5p h PRO 161 N 0.42 0.00 -0.30 -2.39 0.11 -1.86 -1.90 132.00 126.08 3m5p h PRO 161 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3m5p h PRO 161 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3m5p h PRO 161 CO -0.50 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.95 3m5p n TYR 162 N -2.57 0.38 -1.75 0.65 4.01 0.39 -4.95 117.16 113.32 3m5p n TYR 162 Ca -0.01 -0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.12 3m5p n TYR 162 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 3m5p n TYR 162 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3m5p s HIS 163 N -1.62 2.80 0.00 -0.72 3.76 -0.72 -4.55 115.29 114.24 3m5p s HIS 163 Ca 0.36 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 3m5p s HIS 163 Cb 0.22 -4.10 0.00 0.00 1.11 0.00 0.00 32.58 29.80 3m5p s HIS 163 CO 0.31 -3.88 0.18 0.00 -0.85 0.00 0.00 174.74 170.50 3m5p n THR 165 N 0.00 0.00 -1.31 0.00 -2.24 -1.24 -4.95 114.28 104.54 3m5p n THR 165 Ca 0.00 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 3m5p n THR 165 Cb 0.51 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 3m5p n THR 165 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3m5p n ASP 166 N -0.32 -5.35 -4.75 3.42 8.00 -1.26 -4.93 116.55 111.36 3m5p n ASP 166 Ca 0.08 0.26 -0.35 0.00 0.71 0.00 0.00 54.79 55.49 3m5p n ASP 166 Cb 0.41 -3.79 -0.08 0.00 -0.02 0.00 0.00 41.12 37.63 3m5p n ASP 166 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3m5p s LEU 167 N -2.43 3.81 -0.10 0.64 1.43 -1.26 -4.89 118.68 115.87 3m5p s LEU 167 Ca 0.00 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 3m5p s LEU 167 Cb 0.00 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3m5p s LEU 167 CO 0.00 0.35 0.31 -0.54 0.23 0.00 0.00 176.35 176.70 3m5p s LYS 168 N -1.20 4.02 -0.14 1.70 1.02 -0.80 -4.84 119.74 119.51 3m5p s LYS 168 Ca 0.17 0.18 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 3m5p s LYS 168 Cb -0.12 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3m5p s LYS 168 CO 0.06 0.46 -0.11 0.08 -0.92 0.00 0.00 175.35 174.93 3m5p s VAL 169 N -0.24 3.26 0.09 3.17 1.01 -1.26 -0.62 120.40 125.81 3m5p s VAL 169 Ca 0.19 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.68 3m5p s VAL 169 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3m5p s VAL 169 CO 0.07 0.51 -0.23 -1.00 0.00 0.00 0.00 175.10 174.45 3m5p s HIS 170 N 0.39 2.01 -0.17 5.22 0.09 0.04 -4.98 115.29 117.88 3m5p s HIS 170 Ca -0.09 -0.40 0.01 0.00 -0.00 0.00 0.00 55.06 54.58 3m5p s HIS 170 Cb -0.15 -1.13 0.02 0.00 -0.00 0.00 0.00 32.58 31.32 3m5p s HIS 170 CO 0.05 0.21 -0.16 -0.06 -0.00 0.00 0.00 174.74 174.78 3m5p s PHE 171 N -1.02 2.45 -0.12 1.40 0.08 -1.26 -0.72 117.98 118.78 3m5p s PHE 171 Ca 0.09 -1.44 -0.01 0.00 0.12 0.00 0.00 56.93 55.69 3m5p s PHE 171 Cb -0.10 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 3m5p s PHE 171 CO 0.04 -0.73 -0.08 0.08 -0.10 0.00 0.00 175.22 174.43 3m5p s VAL 172 N 1.40 3.57 0.10 -0.44 1.01 0.31 -4.94 120.40 121.40 3m5p s VAL 172 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3m5p s VAL 172 Cb -0.13 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3m5p s VAL 172 CO -0.11 0.53 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 3m5p n SER 173 N 3.12 -0.49 -4.65 3.32 3.41 -1.25 -1.37 113.62 115.71 3m5p n SER 173 Ca -0.18 0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.23 3m5p n SER 173 Cb 0.53 0.62 0.04 0.00 -0.26 0.00 0.00 64.21 65.14 3m5p n SER 173 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3m5p n ASN 174 N -2.78 1.43 0.22 4.04 2.85 -1.26 -4.68 115.26 115.07 3m5p n ASN 174 Ca 0.00 0.93 0.06 0.00 -0.11 0.00 0.00 54.58 55.46 3m5p n ASN 174 Cb 0.00 -1.43 0.49 0.00 1.24 0.00 0.00 39.78 40.08 3m5p n ASN 174 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3m5p h VAL 175 N 1.09 1.02 -1.52 3.44 3.04 -1.98 -3.43 116.25 117.92 3m5p h VAL 175 Ca -0.48 -0.94 -0.73 0.00 -1.01 0.00 0.00 66.70 63.54 3m5p h VAL 175 Cb 1.34 1.53 0.01 0.00 -2.01 0.00 0.00 31.29 32.16 3m5p h VAL 175 CO 0.54 0.25 0.95 -0.67 -1.01 0.00 0.00 177.57 177.64 3m5p n ASP 176 N -3.99 2.41 0.08 3.17 -0.08 -1.26 -4.78 116.55 112.10 3m5p n ASP 176 Ca -0.02 1.03 0.09 0.00 -1.51 0.00 0.00 54.79 54.38 3m5p n ASP 176 Cb 0.33 -1.15 0.39 0.00 2.34 0.00 0.00 41.12 43.02 3m5p n ASP 176 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3m5p n ALA 177 N 5.76 1.48 -0.28 -1.67 0.00 -1.26 -1.23 120.51 123.30 3m5p n ALA 177 Ca 0.28 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.91 3m5p n ALA 177 Cb 0.14 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 18.71 3m5p n ALA 177 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3m5p h ASP 178 N 0.00 0.62 0.49 0.00 3.58 -1.92 -0.19 116.42 118.99 3m5p h ASP 178 Ca 0.00 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3m5p h ASP 178 Cb 0.23 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3m5p h ASP 178 CO 0.00 0.27 -0.23 -1.28 -2.88 0.00 0.00 179.24 175.12 3m5p h SER 179 N 0.63 -0.55 -0.62 2.28 0.87 -1.45 -0.53 113.55 114.17 3m5p h SER 179 Ca 0.49 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 61.06 3m5p h SER 179 Cb 0.89 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 3m5p h SER 179 CO -0.24 -0.36 0.39 0.25 -0.53 0.00 0.00 176.83 176.34 3m5p h LEU 180 N -0.70 0.65 -1.09 2.23 5.85 -1.65 -2.94 115.31 117.67 3m5p h LEU 180 Ca -0.07 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 3m5p h LEU 180 Cb 0.52 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3m5p h LEU 180 CO 0.11 0.46 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.21 3m5p h LEU 181 N 0.78 0.12 -1.50 2.25 3.38 -0.86 -0.49 115.31 119.00 3m5p h LEU 181 Ca 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3m5p h LEU 181 Cb -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3m5p h LEU 181 CO -0.09 0.51 0.13 1.56 0.09 0.00 0.00 178.44 180.64 3m5p h GLN 182 N 0.10 0.46 0.06 1.13 1.08 -0.91 -0.53 115.11 116.50 3m5p h GLN 182 Ca 0.01 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3m5p h GLN 182 Cb 0.75 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3m5p h GLN 182 CO 0.06 0.38 -0.03 0.00 -0.95 0.00 0.00 178.83 178.29 3m5p h ALA 183 N 1.69 -0.08 0.00 3.87 0.00 -1.38 -3.37 119.26 119.99 3m5p h ALA 183 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3m5p h ALA 183 Cb 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m5p h ALA 183 CO -0.01 -0.11 -0.12 -0.07 0.00 0.00 0.00 179.25 178.94 3m5p h LEU 184 N -0.95 0.00 -2.14 0.00 3.38 -0.91 -1.76 115.31 112.92 3m5p h LEU 184 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3m5p h LEU 184 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3m5p h LEU 184 CO 0.01 0.12 -0.05 -0.74 0.09 0.00 0.00 178.44 177.87 3m5p h HIS 185 N 0.00 0.00 -0.03 1.13 2.76 -1.25 -3.10 115.15 114.66 3m5p h HIS 185 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3m5p h HIS 185 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3m5p h HIS 185 CO 0.00 0.05 0.00 1.33 -1.30 0.00 0.00 177.93 178.01 3m5p n VAL 186 N -3.37 0.97 -4.27 5.26 0.24 -0.68 -5.02 118.33 111.45 3m5p n VAL 186 Ca -0.02 -0.98 -0.20 0.00 -2.04 0.00 0.00 64.34 61.10 3m5p n VAL 186 Cb 0.20 0.52 -0.11 0.00 -1.47 0.00 0.00 33.84 32.97 3m5p n VAL 186 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3m5p s VAL 187 N -0.97 1.52 -0.22 3.34 -7.23 -1.10 -5.11 120.40 110.63 3m5p s VAL 187 Ca 0.02 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 3m5p s VAL 187 Cb 0.01 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 3m5p s VAL 187 CO 0.02 -0.36 0.16 -0.62 -0.31 0.00 0.00 175.10 173.99 3m5p s ASP 188 N -2.49 6.18 0.51 4.85 -1.08 -1.26 -4.90 116.67 118.47 3m5p s ASP 188 Ca 0.11 0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.50 3m5p s ASP 188 Cb -0.05 -2.11 1.24 0.00 -1.46 0.00 0.00 42.92 40.54 3m5p s ASP 188 CO 0.04 0.11 2.10 1.55 0.52 0.00 0.00 175.17 179.50 3m5p h PRO 189 N 7.12 0.07 0.00 4.34 0.13 -1.94 -1.48 132.00 140.25 3m5p h PRO 189 Ca -0.39 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3m5p h PRO 189 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3m5p h PRO 189 CO 0.71 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 3m5p n GLU 190 N -4.50 0.20 -0.44 0.86 1.02 -1.26 -3.62 120.64 112.90 3m5p n GLU 190 Ca 0.01 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.57 3m5p n GLU 190 Cb 0.19 -1.85 0.10 0.00 -0.02 0.00 0.00 31.44 29.87 3m5p n GLU 190 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3m5p n THR 191 N -2.22 1.23 -5.17 2.62 -2.24 -0.58 -4.36 114.28 103.57 3m5p n THR 191 Ca 0.03 -1.70 -0.31 0.00 -2.27 0.00 0.00 64.05 59.80 3m5p n THR 191 Cb 0.27 0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.43 3m5p n THR 191 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3m5p s THR 192 N -1.86 1.95 -0.24 4.28 2.01 -1.07 -0.42 115.64 120.30 3m5p s THR 192 Ca 0.25 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3m5p s THR 192 Cb 0.23 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 3m5p s THR 192 CO -0.02 0.54 0.09 -0.22 -0.69 0.00 0.00 174.62 174.32 3m5p s LEU 193 N 0.18 3.63 -0.14 4.42 2.96 -0.36 -4.72 118.68 124.64 3m5p s LEU 193 Ca -0.13 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 3m5p s LEU 193 Cb -0.16 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3m5p s LEU 193 CO 0.06 0.02 0.12 -0.76 -1.32 0.00 0.00 176.35 174.47 3m5p s LEU 194 N 1.29 4.21 -0.20 -0.68 1.02 0.36 -1.09 118.68 123.59 3m5p s LEU 194 Ca 0.05 0.35 -0.02 0.00 0.02 0.00 0.00 54.13 54.52 3m5p s LEU 194 Cb -0.15 -2.04 -0.00 0.00 0.02 0.00 0.00 46.19 44.02 3m5p s LEU 194 CO 0.04 0.33 -0.09 -0.63 0.02 0.00 0.00 176.35 176.03 3m5p s ILE 195 N -0.57 3.02 -0.45 -0.59 1.01 0.38 -1.12 121.20 122.88 3m5p s ILE 195 Ca 0.12 -0.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 3m5p s ILE 195 Cb -0.12 -2.35 0.04 0.00 0.01 0.00 0.00 42.46 40.04 3m5p s ILE 195 CO 0.02 0.46 0.52 -0.63 0.00 0.00 0.00 174.94 175.31 3m5p s ILE 196 N 1.33 5.01 -0.37 2.92 1.01 -0.06 -0.18 121.20 130.85 3m5p s ILE 196 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 3m5p s ILE 196 Cb -0.14 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.23 3m5p s ILE 196 CO -0.05 -0.58 0.19 0.00 0.00 0.00 0.00 174.94 174.50 3m5p s ALA 197 N 2.32 3.20 -0.29 9.38 0.00 0.61 -0.60 121.76 136.38 3m5p s ALA 197 Ca 0.13 -1.84 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 3m5p s ALA 197 Cb -0.18 -2.50 0.17 0.00 0.00 0.00 0.00 23.12 20.61 3m5p s ALA 197 CO 0.13 -1.44 0.56 0.45 0.00 0.00 0.00 175.76 175.45 3m5p s SER 198 N 1.65 -1.02 0.18 0.00 0.15 -0.33 -4.34 113.70 109.98 3m5p s SER 198 Ca 0.01 0.80 -0.17 0.00 0.70 0.00 0.00 55.95 57.29 3m5p s SER 198 Cb -0.20 1.95 0.12 0.00 -1.71 0.00 0.00 66.02 66.18 3m5p s SER 198 CO 0.04 -0.26 1.65 0.50 1.20 0.00 0.00 173.24 176.36 3m5p h LYS 199 N 8.04 -0.05 0.00 5.44 3.64 -1.94 -2.78 116.57 128.92 3m5p h LYS 199 Ca -0.22 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.02 3m5p h LYS 199 Cb 1.15 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3m5p h LYS 199 CO 0.25 -0.03 -0.70 0.66 -2.27 0.00 0.00 179.45 177.35 3m5p h SER 200 N -0.05 0.00 -3.05 4.20 4.64 -1.96 -0.60 113.55 116.73 3m5p h SER 200 Ca 0.22 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.22 3m5p h SER 200 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 3m5p h SER 200 CO -0.49 0.70 -0.38 0.33 -0.87 0.00 0.00 176.83 176.12 3m5p n PHE 201 N -3.32 -1.05 -0.72 4.77 7.35 -1.05 -4.72 117.46 118.72 3m5p n PHE 201 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3m5p n PHE 201 Cb 0.80 -3.16 0.00 0.00 0.35 0.00 0.00 39.48 37.46 3m5p n PHE 201 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3m5p n SER 202 N -1.66 0.74 -4.69 -2.13 3.41 -1.26 -4.94 113.62 103.08 3m5p n SER 202 Ca -0.18 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 3m5p n SER 202 Cb 0.62 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3m5p n SER 202 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3m5p s THR 203 N -0.42 4.39 0.19 6.66 2.01 -1.26 -4.92 115.64 122.29 3m5p s THR 203 Ca 0.01 1.70 -0.14 0.00 0.31 0.00 0.00 61.69 63.57 3m5p s THR 203 Cb 0.01 -4.09 0.14 0.00 0.01 0.00 0.00 72.50 68.57 3m5p s THR 203 CO 0.00 0.01 1.67 -0.08 -0.69 0.00 0.00 174.62 175.53 3m5p h GLU 204 N 7.34 0.08 -0.46 4.92 4.81 -1.99 -0.62 114.58 128.66 3m5p h GLU 204 Ca -0.34 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 3m5p h GLU 204 Cb 1.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3m5p h GLU 204 CO 0.87 0.05 0.12 0.93 -0.73 0.00 0.00 179.01 180.25 3m5p h GLU 205 N 0.08 0.73 -0.42 1.92 3.07 -1.91 -1.26 114.58 116.77 3m5p h GLU 205 Ca 0.25 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 3m5p h GLU 205 Cb 0.39 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3m5p h GLU 205 CO -0.45 0.71 -0.31 1.15 -1.40 0.00 0.00 179.01 178.72 3m5p h THR 206 N 0.61 1.27 -0.52 1.13 2.02 -1.73 -0.30 112.91 115.39 3m5p h THR 206 Ca 0.14 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.79 3m5p h THR 206 Cb 0.30 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3m5p h THR 206 CO -0.00 0.50 0.09 -0.07 0.37 0.00 0.00 175.52 176.41 3m5p h LEU 207 N 0.79 0.83 -0.41 2.58 3.38 -0.96 -0.19 115.31 121.32 3m5p h LEU 207 Ca 0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3m5p h LEU 207 Cb 0.89 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3m5p h LEU 207 CO 0.08 0.87 0.04 0.25 0.09 0.00 0.00 178.44 179.77 3m5p h LEU 208 N 0.75 0.68 -0.84 1.67 5.85 -1.05 0.15 115.31 122.52 3m5p h LEU 208 Ca 0.16 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3m5p h LEU 208 Cb 0.39 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3m5p h LEU 208 CO 0.01 0.79 0.55 0.78 -0.34 0.00 0.00 178.44 180.22 3m5p h ASN 209 N 0.55 0.93 -0.38 1.25 2.35 -0.96 -1.08 115.58 118.23 3m5p h ASN 209 Ca 0.12 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 3m5p h ASN 209 Cb 0.41 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3m5p h ASN 209 CO 0.01 0.65 -0.35 0.28 -1.65 0.00 0.00 177.43 176.37 3m5p h SER 210 N 1.09 0.99 -0.71 5.81 0.02 -0.67 0.04 113.55 120.12 3m5p h SER 210 Ca 0.32 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3m5p h SER 210 Cb -0.05 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 3m5p h SER 210 CO -0.09 1.23 0.33 0.40 -1.14 0.00 0.00 176.83 177.55 3m5p h ILE 211 N 0.77 1.24 -0.44 3.27 2.04 -0.76 -0.09 117.51 123.53 3m5p h ILE 211 Ca 0.07 -0.68 -0.12 0.00 1.00 0.00 0.00 64.86 65.13 3m5p h ILE 211 Cb 0.94 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3m5p h ILE 211 CO 0.09 0.28 -0.20 0.28 0.00 0.00 0.00 178.15 178.60 3m5p h SER 212 N 0.99 0.94 -0.57 1.72 0.02 -1.01 -0.59 113.55 115.05 3m5p h SER 212 Ca 0.24 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3m5p h SER 212 Cb 0.14 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3m5p h SER 212 CO -0.03 1.13 0.19 0.00 -1.14 0.00 0.00 176.83 176.98 3m5p h ALA 213 N 0.84 0.75 -0.74 3.77 0.00 -0.81 -1.20 119.26 121.87 3m5p h ALA 213 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3m5p h ALA 213 Cb 0.77 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3m5p h ALA 213 CO 0.06 0.40 0.40 -0.09 0.00 0.00 0.00 179.25 180.02 3m5p h ARG 214 N 0.80 1.04 -0.75 0.00 2.43 -0.80 -1.46 114.38 115.64 3m5p h ARG 214 Ca 0.19 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3m5p h ARG 214 Cb 0.27 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3m5p h ARG 214 CO -0.01 0.78 0.46 1.49 -1.51 0.00 0.00 179.97 181.18 3m5p h GLU 215 N 1.03 1.02 -0.43 0.20 4.81 -0.86 -0.59 114.58 119.75 3m5p h GLU 215 Ca 0.26 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3m5p h GLU 215 Cb 0.05 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3m5p h GLU 215 CO -0.04 0.72 0.27 2.35 -0.73 0.00 0.00 179.01 181.57 3m5p h TRP 216 N 1.03 0.57 -0.41 0.92 7.01 -0.83 0.81 115.95 125.04 3m5p h TRP 216 Ca 0.27 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.23 3m5p h TRP 216 Cb -0.04 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 3m5p h TRP 216 CO -0.01 0.39 0.09 1.25 -2.79 0.00 0.00 178.44 177.37 3m5p h LEU 217 N 0.58 0.64 -0.64 0.65 5.85 -0.92 -2.69 115.31 118.77 3m5p h LEU 217 Ca 0.16 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 3m5p h LEU 217 Cb -0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3m5p h LEU 217 CO -0.03 0.72 -0.57 -0.07 -0.34 0.00 0.00 178.44 178.15 3m5p h LEU 218 N 0.54 0.00 -1.21 2.25 3.38 -1.00 -1.34 115.31 117.92 3m5p h LEU 218 Ca 0.13 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3m5p h LEU 218 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3m5p h LEU 218 CO 0.00 0.57 0.54 -0.78 0.09 0.00 0.00 178.44 178.86 3m5p h ASP 219 N 0.00 0.90 0.13 -0.43 3.58 -0.66 0.42 116.42 120.36 3m5p h ASP 219 Ca -0.01 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 3m5p h ASP 219 Cb 1.15 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.98 3m5p h ASP 219 CO 0.07 0.63 -0.06 -0.74 -2.88 0.00 0.00 179.24 176.26 3m5p h HIS 220 N 1.05 -0.17 0.00 0.28 2.76 -1.11 -3.38 115.15 114.59 3m5p h HIS 220 Ca 0.31 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.29 3m5p h HIS 220 Cb -0.04 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3m5p h HIS 220 CO -0.00 0.30 -1.07 1.88 -1.30 0.00 0.00 177.93 177.74 3m5p h TYR 221 N -0.86 0.00 -4.72 5.26 0.05 -1.23 -3.48 116.97 111.99 3m5p h TYR 221 Ca -0.02 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.37 3m5p h TYR 221 Cb 0.54 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.30 3m5p h TYR 221 CO 0.10 0.81 -0.58 0.39 -1.05 0.00 0.00 178.16 177.82 3m5p n GLU 222 N -3.19 -4.35 -3.36 4.88 1.02 0.15 -4.95 120.64 110.83 3m5p n GLU 222 Ca -0.04 0.78 -0.08 0.00 -0.02 0.00 0.00 57.16 57.80 3m5p n GLU 222 Cb 0.89 -5.59 -0.07 0.00 -0.02 0.00 0.00 31.44 26.65 3m5p n GLU 222 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3m5p s ASP 223 N -2.68 0.01 0.41 1.62 -1.08 -1.26 -5.03 116.67 108.66 3m5p s ASP 223 Ca 0.32 0.38 0.23 0.00 -0.52 0.00 0.00 52.55 52.96 3m5p s ASP 223 Cb -0.15 1.26 1.24 0.00 -1.46 0.00 0.00 42.92 43.80 3m5p s ASP 223 CO 0.39 -0.29 1.71 -0.33 0.52 0.00 0.00 175.17 177.17 3m5p h GLU 224 N 8.16 0.25 0.00 4.34 5.08 -1.94 -1.24 114.58 129.23 3m5p h GLU 224 Ca -0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3m5p h GLU 224 Cb 1.15 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3m5p h GLU 224 CO 0.26 0.17 0.00 0.87 -1.00 0.00 0.00 179.01 179.30 3m5p h LYS 225 N 0.26 0.00 0.00 2.33 1.57 -2.00 -2.31 116.57 116.43 3m5p h LYS 225 Ca 0.69 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.45 3m5p h LYS 225 Cb 1.94 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 3m5p h LYS 225 CO -0.35 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.46 3m5p h ALA 226 N 2.03 1.12 -0.51 3.86 0.00 -1.64 -2.89 119.26 121.23 3m5p h ALA 226 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3m5p h ALA 226 Cb 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3m5p h ALA 226 CO 0.00 0.08 0.34 0.28 0.00 0.00 0.00 179.25 179.95 3m5p h VAL 227 N 0.00 1.03 -0.42 0.00 2.07 -1.63 -2.07 116.25 115.24 3m5p h VAL 227 Ca -0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3m5p h VAL 227 Cb 0.33 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3m5p h VAL 227 CO 0.01 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.97 3m5p h ALA 228 N 1.71 1.81 -0.01 1.67 0.00 -1.74 -2.40 119.26 120.30 3m5p h ALA 228 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3m5p h ALA 228 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3m5p h ALA 228 CO -0.05 0.14 -0.27 0.09 0.00 0.00 0.00 179.25 179.16 3m5p n ASN 229 N -4.48 1.68 0.00 0.00 4.13 -0.78 -4.50 115.26 111.30 3m5p n ASN 229 Ca 0.04 -1.33 0.00 0.00 1.68 0.00 0.00 54.58 54.97 3m5p n ASN 229 Cb 0.14 0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 3m5p n ASN 229 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3m5p n HIS 230 N -0.08 0.00 -4.34 3.10 8.25 -0.99 -4.60 115.22 116.56 3m5p n HIS 230 Ca 0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.39 3m5p n HIS 230 Cb 0.42 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.38 3m5p n HIS 230 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3m5p s PHE 231 N -0.12 0.83 0.25 4.41 0.08 -0.94 -0.49 117.98 121.99 3m5p s PHE 231 Ca 0.00 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.91 3m5p s PHE 231 Cb 0.00 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 3m5p s PHE 231 CO 0.00 -0.07 -0.03 0.14 -0.10 0.00 0.00 175.22 175.17 3m5p s VAL 232 N 0.07 1.29 0.03 -0.44 -7.23 -0.27 -4.86 120.40 108.99 3m5p s VAL 232 Ca -0.01 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 3m5p s VAL 232 Cb -0.07 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 3m5p s VAL 232 CO 0.00 -0.33 -0.08 0.00 -0.31 0.00 0.00 175.10 174.39 3m5p s ALA 233 N -3.25 0.59 -0.16 1.32 0.00 -0.46 -0.88 121.76 118.92 3m5p s ALA 233 Ca 0.28 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3m5p s ALA 233 Cb 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3m5p s ALA 233 CO 0.10 0.04 -0.12 0.42 0.00 0.00 0.00 175.76 176.20 3m5p s ILE 234 N -1.00 1.51 0.16 0.00 1.01 0.23 -0.28 121.20 122.82 3m5p s ILE 234 Ca -0.06 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 3m5p s ILE 234 Cb -0.08 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 40.96 3m5p s ILE 234 CO 0.00 0.34 0.77 -0.55 0.00 0.00 0.00 174.94 175.50 3m5p s SER 235 N 1.49 -0.36 0.00 3.58 0.15 -0.89 -1.19 113.70 116.48 3m5p s SER 235 Ca 0.03 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 56.68 3m5p s SER 235 Cb -0.14 0.57 0.50 0.00 -1.71 0.00 0.00 66.02 65.23 3m5p s SER 235 CO -0.10 -0.99 1.41 -1.54 1.20 0.00 0.00 173.24 173.22 3m5p n SER 236 N -0.39 1.59 -3.66 5.45 3.41 -0.23 -4.26 113.62 115.51 3m5p n SER 236 Ca -0.10 -1.27 -0.27 0.00 -0.26 0.00 0.00 58.87 56.97 3m5p n SER 236 Cb 0.62 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.69 3m5p n SER 236 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m5p n LYS 237 N -0.17 2.18 0.23 4.33 4.76 -1.23 -4.93 118.16 123.32 3m5p n LYS 237 Ca 0.12 -4.58 0.09 0.00 -2.87 0.00 0.00 58.31 51.08 3m5p n LYS 237 Cb 0.41 -2.27 0.54 0.00 -1.84 0.00 0.00 35.03 31.87 3m5p n LYS 237 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3m5p h LEU 238 N 4.78 0.00 -1.20 -0.35 3.38 -1.94 -1.63 115.31 118.35 3m5p h LEU 238 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3m5p h LEU 238 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3m5p h LEU 238 CO 0.78 0.22 0.02 0.44 0.09 0.00 0.00 178.44 179.99 3m5p h ASP 239 N 0.00 0.53 0.38 -0.43 3.32 -2.00 -1.35 116.42 116.88 3m5p h ASP 239 Ca -0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 3m5p h ASP 239 Cb 0.58 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3m5p h ASP 239 CO 0.03 0.59 -0.70 0.11 -1.72 0.00 0.00 179.24 177.55 3m5p h LYS 240 N 0.55 0.27 -0.28 3.56 1.57 -1.70 -2.19 116.57 118.35 3m5p h LYS 240 Ca 0.12 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3m5p h LYS 240 Cb 0.33 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3m5p h LYS 240 CO 0.01 0.86 0.05 0.28 -0.57 0.00 0.00 179.45 180.09 3m5p h VAL 241 N 0.19 1.23 -0.33 0.50 2.07 -1.12 -1.68 116.25 117.10 3m5p h VAL 241 Ca -0.02 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.79 3m5p h VAL 241 Cb 1.25 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 3m5p h VAL 241 CO 0.11 0.25 0.00 0.11 0.02 0.00 0.00 177.57 178.06 3m5p h LYS 242 N 0.29 0.10 -0.57 1.57 1.57 -1.21 -1.80 116.57 116.52 3m5p h LYS 242 Ca 0.09 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3m5p h LYS 242 Cb 0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3m5p h LYS 242 CO 0.00 0.06 0.38 1.49 -0.57 0.00 0.00 179.45 180.82 3m5p h GLU 243 N 0.10 0.44 0.00 3.15 4.81 -1.26 -1.20 114.58 120.63 3m5p h GLU 243 Ca 0.16 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3m5p h GLU 243 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3m5p h GLU 243 CO -0.26 0.29 -0.41 0.35 -0.73 0.00 0.00 179.01 178.25 3m5p h PHE 244 N 0.46 0.00 0.00 0.92 3.57 -0.45 -3.47 116.94 117.97 3m5p h PHE 244 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3m5p h PHE 244 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3m5p h PHE 244 CO -0.00 0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 3m5p n GLY 245 N 0.00 1.42 3.67 2.40 0.00 -0.45 -5.11 105.19 107.13 3m5p n GLY 245 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3m5p n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m5p s ILE 246 N -2.00 4.70 0.73 -0.61 1.01 -1.12 -4.98 121.20 118.93 3m5p s ILE 246 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 3m5p s ILE 246 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.44 3m5p s ILE 246 CO 0.00 0.53 1.11 1.51 0.00 0.00 0.00 174.94 178.08 3m5p s ASP 247 N -0.17 5.17 0.36 3.58 3.84 -1.26 -3.64 116.67 124.56 3m5p s ASP 247 Ca 0.07 0.99 0.04 0.00 -0.00 0.00 0.00 52.55 53.65 3m5p s ASP 247 Cb -0.12 -1.71 0.71 0.00 -1.38 0.00 0.00 42.92 40.42 3m5p s ASP 247 CO 0.01 -1.49 1.99 0.25 -0.00 0.00 0.00 175.17 175.94 3m5p h LEU 248 N -0.74 0.67 -2.07 2.11 5.85 -1.95 -1.14 115.31 118.04 3m5p h LEU 248 Ca -0.45 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3m5p h LEU 248 Cb 1.28 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3m5p h LEU 248 CO 0.64 0.46 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.12 3m5p h GLU 249 N 0.78 0.00 -0.62 1.25 4.57 -2.03 -1.89 114.58 116.64 3m5p h GLU 249 Ca 0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3m5p h GLU 249 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3m5p h GLU 249 CO -0.07 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.48 3m5p n HIS 250 N -3.09 1.25 -4.54 0.92 8.25 -0.44 -4.95 115.22 112.63 3m5p n HIS 250 Ca -0.01 -0.59 -0.34 0.00 -0.26 0.00 0.00 57.72 56.52 3m5p n HIS 250 Cb 0.21 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 3m5p n HIS 250 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m5p s TYR 252 N -0.63 2.66 0.00 0.00 2.02 0.61 -4.96 117.35 117.05 3m5p s TYR 252 Ca 0.10 -1.75 0.00 0.00 -0.37 0.00 0.00 57.07 55.05 3m5p s TYR 252 Cb -0.12 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 3m5p s TYR 252 CO 0.02 -0.78 0.00 0.36 -1.57 0.00 0.00 175.55 173.58 3m5p n LYS 253 N 4.62 0.53 -4.09 -0.62 2.85 -1.26 -2.09 118.16 118.10 3m5p n LYS 253 Ca -0.16 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.03 3m5p n LYS 253 Cb 0.46 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.74 3m5p n LYS 253 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3m5p s TRP 255 N -0.31 0.53 0.48 5.58 0.51 -1.26 -4.63 118.94 119.84 3m5p s TRP 255 Ca 0.00 -1.00 0.18 0.00 -2.12 0.00 0.00 56.10 53.16 3m5p s TRP 255 Cb 0.00 -0.38 1.19 0.00 -0.81 0.00 0.00 33.47 33.46 3m5p s TRP 255 CO 0.00 -0.34 2.00 -0.44 -0.51 0.00 0.00 176.95 177.66 3m5p h ASP 256 N 3.29 0.20 -0.04 2.95 5.19 -1.96 -2.09 116.42 123.95 3m5p h ASP 256 Ca -0.34 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3m5p h ASP 256 Cb 1.15 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.62 3m5p h ASP 256 CO 0.63 0.12 0.00 -2.67 -3.12 0.00 0.00 179.24 174.20 3m5p n TRP 257 N -4.45 0.06 -3.28 4.55 4.27 -1.26 -4.51 117.44 112.82 3m5p n TRP 257 Ca 0.09 -0.03 -0.45 0.00 -3.89 0.00 0.00 57.50 53.22 3m5p n TRP 257 Cb 0.44 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.33 3m5p n TRP 257 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3m5p s VAL 258 N -1.94 5.12 0.40 -1.67 1.01 -0.79 -1.46 120.40 121.07 3m5p s VAL 258 Ca 0.25 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 3m5p s VAL 258 Cb 0.12 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 3m5p s VAL 258 CO 0.20 -0.86 1.33 -0.83 0.00 0.00 0.00 175.10 174.94 3m5p s GLY 259 N 3.38 2.93 0.19 4.51 0.00 -1.26 -4.88 107.32 112.19 3m5p s GLY 259 Ca 0.05 1.29 -0.13 0.00 0.00 0.00 0.00 44.72 45.94 3m5p s GLY 259 CO 0.05 1.90 1.71 -1.33 0.00 0.00 0.00 173.10 175.42 3m5p h GLY 260 N 2.71 0.60 0.70 0.20 0.00 -1.95 0.30 103.07 105.63 3m5p h GLY 260 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3m5p h GLY 260 CO 0.63 -0.09 0.00 -0.96 0.00 0.00 0.00 176.54 176.11 3m5p n ARG 261 N -5.15 0.65 -0.95 4.80 1.85 -1.26 -2.23 116.66 114.38 3m5p n ARG 261 Ca 0.06 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.96 3m5p n ARG 261 Cb 0.26 -1.35 0.12 0.00 -1.05 0.00 0.00 32.46 30.44 3m5p n ARG 261 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3m5p n TYR 262 N -0.85 0.00 0.76 2.89 4.01 0.05 -4.68 117.16 119.34 3m5p n TYR 262 Ca 0.11 -0.98 0.08 0.00 -0.16 0.00 0.00 57.90 56.95 3m5p n TYR 262 Cb 0.05 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 3m5p n TYR 262 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3m5p n SER 263 N -0.40 1.41 0.31 7.72 3.41 -0.95 -4.49 113.62 120.63 3m5p n SER 263 Ca 0.13 -1.21 0.19 0.00 -0.26 0.00 0.00 58.87 57.72 3m5p n SER 263 Cb 0.88 0.63 1.00 0.00 -0.26 0.00 0.00 64.21 66.46 3m5p n SER 263 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 3m5p h LEU 264 N 1.33 0.00 -0.39 1.04 8.10 -1.84 -0.92 115.31 122.62 3m5p h LEU 264 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3m5p h LEU 264 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 3m5p h LEU 264 CO 0.00 0.02 0.00 -0.50 -4.11 0.00 0.00 178.44 173.85 3m5p h TRP 265 N 0.00 0.00 -2.46 0.17 4.06 -1.96 -2.96 115.95 112.80 3m5p h TRP 265 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3m5p h TRP 265 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3m5p h TRP 265 CO 0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 3m5p n SER 266 N -2.38 0.00 0.26 -3.49 3.41 -0.35 -4.78 113.62 106.29 3m5p n SER 266 Ca 0.04 -0.26 0.17 0.00 -0.26 0.00 0.00 58.87 58.56 3m5p n SER 266 Cb 0.35 0.00 0.88 0.00 -0.26 0.00 0.00 64.21 65.18 3m5p n SER 266 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3m5p h SER 267 N 0.00 0.00 -0.11 4.04 0.02 -1.82 -0.72 113.55 114.96 3m5p h SER 267 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3m5p h SER 267 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3m5p h SER 267 CO 0.00 0.00 0.09 0.40 -1.14 0.00 0.00 176.83 176.18 3m5p h ILE 268 N 0.00 0.75 -0.40 3.27 1.08 -1.85 -3.43 117.51 116.94 3m5p h ILE 268 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.21 3m5p h ILE 268 Cb 0.11 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3m5p h ILE 268 CO 0.00 0.00 0.82 -0.83 -0.69 0.00 0.00 178.15 177.45 3m5p s GLY 269 N -4.06 -0.14 0.00 5.37 0.00 -0.28 -4.74 107.32 103.48 3m5p s GLY 269 Ca -0.05 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.70 3m5p s GLY 269 CO 0.63 3.73 0.00 -1.14 0.00 0.00 0.00 173.10 176.31 3m5p n SER 271 N 15.62 0.00 0.04 1.64 3.41 -1.26 -2.10 113.62 130.98 3m5p n SER 271 Ca 0.44 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 3m5p n SER 271 Cb 0.47 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 3m5p n SER 271 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3m5p h ILE 272 N 0.00 1.09 -0.41 -1.33 2.04 -1.86 -2.78 117.51 114.25 3m5p h ILE 272 Ca 0.00 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3m5p h ILE 272 Cb 0.00 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3m5p h ILE 272 CO 0.00 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.45 3m5p h ALA 273 N 0.64 1.55 0.00 1.87 0.00 -1.68 -0.73 119.26 120.91 3m5p h ALA 273 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3m5p h ALA 273 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3m5p h ALA 273 CO 0.01 0.36 -0.10 0.74 0.00 0.00 0.00 179.25 180.27 3m5p h PHE 274 N 0.58 0.00 0.01 0.00 0.04 -1.81 0.17 116.94 115.93 3m5p h PHE 274 Ca 0.14 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.71 3m5p h PHE 274 Cb 0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3m5p h PHE 274 CO 0.00 0.10 -1.09 0.00 -0.60 0.00 0.00 178.31 176.72 3m5p h ALA 275 N 1.90 0.23 -0.02 2.45 0.00 -0.96 -3.43 119.26 119.44 3m5p h ALA 275 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3m5p h ALA 275 Cb 0.34 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3m5p h ALA 275 CO 0.01 0.61 -0.01 0.44 0.00 0.00 0.00 179.25 180.31 3m5p n ILE 276 N -4.42 0.00 0.00 0.00 -5.35 -0.40 -1.68 119.36 107.51 3m5p n ILE 276 Ca -0.29 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 3m5p n ILE 276 Cb 0.67 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.83 3m5p n ILE 276 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m5p n GLY 277 N 0.72 -1.27 0.12 3.28 0.00 0.60 -4.27 105.19 104.36 3m5p n GLY 277 Ca 0.07 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3m5p n GLY 277 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3m5p h TYR 278 N 0.00 0.14 -0.38 1.61 3.20 -1.94 -2.44 116.97 117.16 3m5p h TYR 278 Ca 0.00 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.81 3m5p h TYR 278 Cb 0.00 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3m5p h TYR 278 CO 0.00 0.85 0.22 -0.44 -1.64 0.00 0.00 178.16 177.15 3m5p h ASP 279 N 0.06 0.36 0.01 -2.11 3.32 -1.95 -0.20 116.42 115.89 3m5p h ASP 279 Ca -0.02 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3m5p h ASP 279 Cb 1.40 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 3m5p h ASP 279 CO 0.11 0.26 -0.21 0.78 -1.72 0.00 0.00 179.24 178.46 3m5p h ASN 280 N 0.45 0.35 -0.93 6.45 2.35 -1.72 -1.92 115.58 120.61 3m5p h ASN 280 Ca 0.15 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3m5p h ASN 280 Cb 0.01 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3m5p h ASN 280 CO -0.07 0.58 0.56 0.15 -1.65 0.00 0.00 177.43 177.00 3m5p h PHE 281 N 0.33 1.21 -0.62 1.19 3.57 -0.86 -1.30 116.94 120.46 3m5p h PHE 281 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3m5p h PHE 281 Cb 0.56 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3m5p h PHE 281 CO 0.01 0.80 0.30 0.93 -2.23 0.00 0.00 178.31 178.12 3m5p h GLU 282 N 1.27 0.88 -0.43 1.11 5.08 -0.49 -1.80 114.58 120.20 3m5p h GLU 282 Ca 0.33 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3m5p h GLU 282 Cb -0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3m5p h GLU 282 CO -0.06 0.68 -0.07 0.87 -1.00 0.00 0.00 179.01 179.42 3m5p h LYS 283 N 0.88 0.81 -0.24 2.33 1.57 -0.84 -0.13 116.57 120.95 3m5p h LYS 283 Ca 0.22 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3m5p h LYS 283 Cb 0.09 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 3m5p h LYS 283 CO -0.03 0.91 -0.12 1.25 -0.57 0.00 0.00 179.45 180.89 3m5p h LEU 284 N 0.64 -0.41 -0.93 2.94 5.85 -0.87 -0.91 115.31 121.61 3m5p h LEU 284 Ca 0.11 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3m5p h LEU 284 Cb 0.59 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3m5p h LEU 284 CO 0.04 -0.16 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.84 3m5p h LEU 285 N -0.10 0.69 -1.02 2.25 4.07 -1.11 -2.62 115.31 117.47 3m5p h LEU 285 Ca 0.13 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 3m5p h LEU 285 Cb 0.29 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 3m5p h LEU 285 CO -0.30 0.80 -0.14 0.00 -1.08 0.00 0.00 178.44 177.72 3m5p h ALA 286 N 1.27 1.18 -0.64 1.53 0.00 -0.55 -0.17 119.26 121.88 3m5p h ALA 286 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3m5p h ALA 286 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3m5p h ALA 286 CO 0.03 0.52 0.11 0.78 0.00 0.00 0.00 179.25 180.69 3m5p h GLY 287 N 0.95 1.14 0.95 0.00 0.00 -0.85 -1.46 103.07 103.81 3m5p h GLY 287 Ca 0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 3m5p h GLY 287 CO 0.03 0.70 0.19 0.00 0.00 0.00 0.00 176.54 177.46 3m5p h ALA 288 N 1.04 0.52 -0.79 3.60 0.00 -1.09 -2.60 119.26 119.92 3m5p h ALA 288 Ca 0.20 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.10 3m5p h ALA 288 Cb 0.43 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3m5p h ALA 288 CO 0.01 0.09 0.42 -0.92 0.00 0.00 0.00 179.25 178.85 3m5p h TYR 289 N 0.51 0.75 -0.95 0.00 3.20 -0.77 0.24 116.97 119.95 3m5p h TYR 289 Ca 0.14 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.09 3m5p h TYR 289 Cb 0.13 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 3m5p h TYR 289 CO -0.01 0.25 0.62 0.66 -1.64 0.00 0.00 178.16 178.04 3m5p h SER 290 N 0.67 0.99 -0.01 -2.11 4.64 -0.89 -0.45 113.55 116.38 3m5p h SER 290 Ca 0.40 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.51 3m5p h SER 290 Cb 0.46 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3m5p h SER 290 CO -0.29 0.65 -0.76 0.58 -0.87 0.00 0.00 176.83 176.13 3m5p h VAL 291 N 1.13 1.31 -0.45 0.95 2.07 -1.10 -2.02 116.25 118.13 3m5p h VAL 291 Ca 0.40 -2.03 0.07 0.00 0.82 0.00 0.00 66.70 65.96 3m5p h VAL 291 Cb 0.12 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3m5p h VAL 291 CO -0.14 0.63 0.09 0.44 0.02 0.00 0.00 177.57 178.61 3m5p h ASP 292 N 0.45 0.01 -0.35 0.57 3.32 -0.28 0.92 116.42 121.08 3m5p h ASP 292 Ca -0.05 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3m5p h ASP 292 Cb 1.38 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 3m5p h ASP 292 CO 0.15 0.04 0.17 0.50 -1.72 0.00 0.00 179.24 178.38 3m5p h LYS 293 N 0.23 0.50 -0.25 3.56 3.64 -1.07 0.04 116.57 123.21 3m5p h LYS 293 Ca 0.22 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3m5p h LYS 293 Cb 0.28 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3m5p h LYS 293 CO -0.29 0.45 -0.09 1.25 -2.27 0.00 0.00 179.45 178.50 3m5p h HIS 294 N 0.43 -0.20 -0.39 1.91 2.76 -1.02 -1.89 115.15 116.75 3m5p h HIS 294 Ca 0.12 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3m5p h HIS 294 Cb 0.11 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3m5p h HIS 294 CO -0.02 -0.14 0.10 0.35 -1.30 0.00 0.00 177.93 176.93 3m5p h PHE 295 N -0.04 0.65 -0.08 5.26 3.57 -0.55 -2.09 116.94 123.67 3m5p h PHE 295 Ca 0.13 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 3m5p h PHE 295 Cb 0.23 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3m5p h PHE 295 CO -0.27 0.62 -0.34 -0.22 -2.23 0.00 0.00 178.31 175.87 3m5p h LYS 296 N 0.49 0.15 0.00 1.11 1.63 -0.88 -3.35 116.57 115.73 3m5p h LYS 296 Ca 0.12 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3m5p h LYS 296 Cb 0.29 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3m5p h LYS 296 CO -0.00 0.48 -1.22 0.39 -3.45 0.00 0.00 179.45 175.65 3m5p n GLU 297 N -4.10 1.32 -3.55 1.90 1.02 -0.72 -5.00 120.64 111.51 3m5p n GLU 297 Ca -0.01 -0.07 -0.37 0.00 -0.02 0.00 0.00 57.16 56.68 3m5p n GLU 297 Cb 0.41 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 3m5p n GLU 297 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3m5p s THR 298 N -2.64 5.25 0.48 2.62 2.01 -0.79 -5.05 115.64 117.52 3m5p s THR 298 Ca -0.01 0.62 -0.22 0.00 0.31 0.00 0.00 61.69 62.39 3m5p s THR 298 Cb 0.09 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 3m5p s THR 298 CO 0.54 0.46 1.05 -1.84 -0.69 0.00 0.00 174.62 174.14 3m5p n GLU 299 N 2.92 1.32 -0.28 4.92 0.28 -1.26 -4.70 120.64 123.84 3m5p n GLU 299 Ca -0.13 0.48 0.04 0.00 -0.16 0.00 0.00 57.16 57.39 3m5p n GLU 299 Cb 0.52 -2.16 0.26 0.00 1.43 0.00 0.00 31.44 31.49 3m5p n GLU 299 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 3m5p h PHE 300 N 1.29 1.00 0.00 -1.84 0.04 -1.96 -1.34 116.94 114.12 3m5p h PHE 300 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3m5p h PHE 300 Cb 1.34 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.16 3m5p h PHE 300 CO 0.42 0.53 0.00 0.66 -0.60 0.00 0.00 178.31 179.32 3m5p h SER 301 N 0.99 0.00 0.00 2.17 4.64 -1.96 -2.50 113.55 116.88 3m5p h SER 301 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3m5p h SER 301 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3m5p h SER 301 CO -0.13 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 176.06 3m5p n LYS 302 N -2.44 1.57 -3.67 4.77 5.02 -0.53 -5.01 118.16 117.87 3m5p n LYS 302 Ca -0.02 -1.92 -0.39 0.00 -2.02 0.00 0.00 58.31 53.97 3m5p n LYS 302 Cb 0.05 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 33.79 3m5p n LYS 302 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3m5p s ASN 303 N -1.88 5.52 0.09 4.39 3.84 -0.94 -4.91 114.94 121.04 3m5p s ASN 303 Ca 0.16 -0.94 -0.21 0.00 0.21 0.00 0.00 52.86 52.08 3m5p s ASN 303 Cb 0.14 -1.96 -0.11 0.00 -0.55 0.00 0.00 41.25 38.77 3m5p s ASN 303 CO 0.02 -0.32 1.70 0.40 -2.79 0.00 0.00 177.10 176.10 3m5p h ILE 304 N 5.93 1.08 -0.54 -5.21 2.04 -1.93 -1.11 117.51 117.78 3m5p h ILE 304 Ca -0.26 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3m5p h ILE 304 Cb 1.11 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3m5p h ILE 304 CO 0.64 0.07 0.23 -0.65 0.00 0.00 0.00 178.15 178.44 3m5p h PRO 305 N 0.10 0.76 -0.33 2.37 0.11 -1.94 -2.52 132.00 130.55 3m5p h PRO 305 Ca 0.04 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3m5p h PRO 305 Cb 0.06 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3m5p h PRO 305 CO -0.01 0.61 0.09 0.28 -0.21 0.00 0.00 178.00 178.76 3m5p h VAL 306 N 0.76 1.21 0.00 3.15 2.07 -1.76 -0.89 116.25 120.78 3m5p h VAL 306 Ca 0.19 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3m5p h VAL 306 Cb 0.12 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3m5p h VAL 306 CO -0.02 0.24 0.00 -0.38 0.02 0.00 0.00 177.57 177.43 3m5p n ILE 307 N -4.65 0.04 0.00 4.57 2.08 -0.47 -1.26 119.36 119.67 3m5p n ILE 307 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3m5p n ILE 307 Cb 0.18 -0.40 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 3m5p n ILE 307 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m5p n ALA 309 N 0.86 0.00 -0.22 -1.39 0.00 -0.34 -1.28 120.51 118.14 3m5p n ALA 309 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3m5p n ALA 309 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.50 3m5p n ALA 309 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3m5p h LEU 310 N 0.00 0.81 -0.21 0.00 3.38 -1.44 -0.56 115.31 117.29 3m5p h LEU 310 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3m5p h LEU 310 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3m5p h LEU 310 CO 0.00 0.73 0.09 -0.07 0.09 0.00 0.00 178.44 179.28 3m5p h LEU 311 N 0.84 0.28 0.02 1.67 3.38 -1.45 0.43 115.31 120.48 3m5p h LEU 311 Ca 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3m5p h LEU 311 Cb 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3m5p h LEU 311 CO -0.02 0.35 -0.01 0.00 0.09 0.00 0.00 178.44 178.84 3m5p h ALA 312 N 0.95 -0.03 -0.08 1.53 0.00 -1.74 -1.32 119.26 118.57 3m5p h ALA 312 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3m5p h ALA 312 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3m5p h ALA 312 CO -0.01 -0.45 -0.35 0.77 0.00 0.00 0.00 179.25 179.21 3m5p h SER 313 N -0.16 0.16 -0.22 0.00 0.02 -1.09 -1.98 113.55 110.28 3m5p h SER 313 Ca -0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3m5p h SER 313 Cb 0.15 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3m5p h SER 313 CO 0.00 0.50 0.13 0.22 -1.14 0.00 0.00 176.83 176.55 3m5p h TYR 314 N 0.14 0.29 -0.14 3.45 3.20 -0.65 -1.45 116.97 121.80 3m5p h TYR 314 Ca 0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3m5p h TYR 314 Cb 0.69 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3m5p h TYR 314 CO 0.01 0.22 0.05 1.88 -1.64 0.00 0.00 178.16 178.68 3m5p h TYR 315 N 0.27 0.23 0.00 -3.82 0.05 -0.91 0.34 116.97 113.12 3m5p h TYR 315 Ca 0.08 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3m5p h TYR 315 Cb 0.02 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 3m5p h TYR 315 CO -0.05 0.33 -0.14 0.66 -1.05 0.00 0.00 178.16 177.90 3m5p h SER 316 N 0.06 0.00 0.12 3.88 4.64 -1.34 -0.30 113.55 120.63 3m5p h SER 316 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3m5p h SER 316 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3m5p h SER 316 CO -0.00 0.14 -0.06 0.00 -0.87 0.00 0.00 176.83 176.04 3m5p h THR 318 N -1.03 1.24 -0.02 0.00 2.02 -0.81 -3.22 112.91 111.10 3m5p h THR 318 Ca -0.02 -3.02 0.00 0.00 0.77 0.00 0.00 66.41 64.14 3m5p h THR 318 Cb 0.22 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3m5p h THR 318 CO 0.03 0.72 -0.40 -1.22 0.37 0.00 0.00 175.52 175.02 3m5p n TYR 319 N -3.20 0.00 -2.63 3.16 4.01 -0.13 -4.94 117.16 113.42 3m5p n TYR 319 Ca -0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 3m5p n TYR 319 Cb 1.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 40.02 3m5p n TYR 319 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3m5p n ASN 320 N 0.12 -4.72 -4.77 7.72 5.03 -1.17 -4.96 115.26 112.51 3m5p n ASN 320 Ca 0.10 -0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.20 3m5p n ASN 320 Cb 0.48 -3.94 0.01 0.00 -1.02 0.00 0.00 39.78 35.30 3m5p n ASN 320 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3m5p s SER 321 N -2.22 5.62 -0.01 6.41 1.04 -1.25 -4.96 113.70 118.34 3m5p s SER 321 Ca 0.09 2.15 0.02 0.00 0.48 0.00 0.00 55.95 58.70 3m5p s SER 321 Cb -0.05 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.53 3m5p s SER 321 CO 0.12 -1.28 0.87 0.00 0.98 0.00 0.00 173.24 173.93 3m5p n GLN 322 N -1.47 1.84 -3.76 4.02 6.02 -1.26 -4.58 117.38 118.19 3m5p n GLN 322 Ca 0.11 -1.30 -0.09 0.00 -0.01 0.00 0.00 57.00 55.71 3m5p n GLN 322 Cb 0.51 -0.88 -0.04 0.00 1.02 0.00 0.00 30.24 30.85 3m5p n GLN 322 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3m5p s SER 323 N -0.90 -0.25 -0.01 1.08 1.04 -1.26 -2.14 113.70 111.26 3m5p s SER 323 Ca 0.03 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.96 3m5p s SER 323 Cb 0.03 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 3m5p s SER 323 CO 0.00 -1.08 -0.05 -1.10 0.98 0.00 0.00 173.24 171.99 3m5p s GLN 324 N -3.89 0.47 -0.14 4.02 -0.21 0.07 -4.19 119.66 115.80 3m5p s GLN 324 Ca 0.10 -0.19 -0.06 0.00 0.02 0.00 0.00 55.36 55.23 3m5p s GLN 324 Cb -0.01 -0.46 -0.04 0.00 1.00 0.00 0.00 33.01 33.50 3m5p s GLN 324 CO -0.01 0.11 0.07 0.00 -2.12 0.00 0.00 175.29 173.34 3m5p s ALA 325 N -0.05 3.53 -0.14 6.09 0.00 -0.24 -1.82 121.76 129.14 3m5p s ALA 325 Ca 0.01 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3m5p s ALA 325 Cb -0.03 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.26 3m5p s ALA 325 CO -0.00 0.41 -0.15 -1.17 0.00 0.00 0.00 175.76 174.85 3m5p s LEU 326 N -0.34 1.70 -0.49 0.00 2.96 0.36 -0.93 118.68 121.94 3m5p s LEU 326 Ca 0.09 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3m5p s LEU 326 Cb -0.12 -1.16 0.14 0.00 0.50 0.00 0.00 46.19 45.55 3m5p s LEU 326 CO 0.02 -0.03 0.27 -0.76 -1.32 0.00 0.00 176.35 174.52 3m5p s LEU 327 N 1.34 3.50 -0.28 -0.68 1.43 0.24 -2.13 118.68 122.09 3m5p s LEU 327 Ca 0.02 -2.88 -0.26 0.00 -1.03 0.00 0.00 54.13 49.98 3m5p s LEU 327 Cb -0.13 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.77 3m5p s LEU 327 CO -0.08 -0.24 0.91 -2.84 0.23 0.00 0.00 176.35 174.33 3m5p s PRO 328 N -0.04 4.09 -1.07 1.29 0.02 -1.23 -1.70 135.00 136.36 3m5p s PRO 328 Ca 0.18 0.92 -0.05 0.00 0.02 0.00 0.00 61.00 62.07 3m5p s PRO 328 Cb -0.23 -3.70 0.07 0.00 0.02 0.00 0.00 34.50 30.66 3m5p s PRO 328 CO -0.01 -0.69 2.59 0.66 -0.33 0.00 0.00 177.00 179.22 3m5p n TYR 329 N 6.34 2.21 -3.64 6.54 4.02 0.93 -1.44 117.16 132.12 3m5p n TYR 329 Ca 0.08 -2.56 -0.06 0.00 -0.01 0.00 0.00 57.90 55.35 3m5p n TYR 329 Cb 0.47 -1.77 -0.07 0.00 -0.02 0.00 0.00 39.34 37.96 3m5p n TYR 329 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3m5p s ASP 330 N 0.60 -0.91 0.41 7.72 -1.08 -1.25 -4.57 116.67 117.59 3m5p s ASP 330 Ca 0.57 1.43 0.15 0.00 -0.52 0.00 0.00 52.55 54.19 3m5p s ASP 330 Cb 0.24 1.47 1.02 0.00 -1.46 0.00 0.00 42.92 44.19 3m5p s ASP 330 CO -0.12 -0.22 1.90 -0.33 0.52 0.00 0.00 175.17 176.92 3m5p h GLU 331 N 7.01 0.45 0.00 4.34 4.39 -1.86 -1.39 114.58 127.51 3m5p h GLU 331 Ca -0.28 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3m5p h GLU 331 Cb 1.21 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3m5p h GLU 331 CO 0.16 0.30 -0.02 0.00 -1.16 0.00 0.00 179.01 178.28 3m5p h ARG 332 N 0.46 0.00 -0.93 2.33 3.08 -1.90 -2.45 114.38 114.97 3m5p h ARG 332 Ca 0.40 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.16 3m5p h ARG 332 Cb 0.88 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.76 3m5p h ARG 332 CO -0.14 0.02 0.37 1.28 -1.07 0.00 0.00 179.97 180.43 3m5p n LEU 333 N -3.26 5.44 0.30 3.04 4.77 -0.52 -2.97 117.00 123.80 3m5p n LEU 333 Ca -0.02 -2.86 0.17 0.00 -0.03 0.00 0.00 56.01 53.28 3m5p n LEU 333 Cb 0.16 -0.72 0.92 0.00 -2.33 0.00 0.00 43.42 41.45 3m5p n LEU 333 CO 0.24 0.81 1.07 0.00 -1.33 0.00 0.00 177.39 178.19 3m5p n TYR 335 N -3.39 0.61 -0.08 0.00 4.01 -1.26 -4.65 117.16 112.40 3m5p n TYR 335 Ca -0.02 -0.39 -0.12 0.00 -0.16 0.00 0.00 57.90 57.21 3m5p n TYR 335 Cb 0.17 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 3m5p n TYR 335 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3m5p h PHE 336 N 3.52 0.56 -0.38 -0.72 3.57 -1.62 -0.80 116.94 121.06 3m5p h PHE 336 Ca 0.00 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.38 3m5p h PHE 336 Cb 0.87 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3m5p h PHE 336 CO 0.31 0.76 0.23 0.28 -2.23 0.00 0.00 178.31 177.65 3m5p h VAL 337 N 0.20 1.05 -0.82 1.41 2.07 -1.83 -1.39 116.25 116.94 3m5p h VAL 337 Ca 0.05 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3m5p h VAL 337 Cb 0.61 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3m5p h VAL 337 CO 0.03 0.08 0.51 0.44 0.02 0.00 0.00 177.57 178.66 3m5p h ASP 338 N 0.46 0.82 -0.06 0.57 3.32 -1.78 0.84 116.42 120.60 3m5p h ASP 338 Ca 0.15 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3m5p h ASP 338 Cb -0.00 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3m5p h ASP 338 CO -0.06 0.55 0.02 0.22 -1.72 0.00 0.00 179.24 178.24 3m5p h TYR 339 N 0.97 0.09 0.00 4.55 3.20 -0.90 -3.03 116.97 121.84 3m5p h TYR 339 Ca 0.34 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 3m5p h TYR 339 Cb 0.09 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3m5p h TYR 339 CO -0.03 0.25 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.46 3m5p h LEU 340 N -0.09 0.00 -0.69 2.82 3.38 -0.72 -2.41 115.31 117.59 3m5p h LEU 340 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3m5p h LEU 340 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3m5p h LEU 340 CO -0.00 0.21 0.40 1.56 0.09 0.00 0.00 178.44 180.69 3m5p h GLN 341 N 0.00 0.71 0.21 1.13 4.20 -0.72 0.19 115.11 120.83 3m5p h GLN 341 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3m5p h GLN 341 Cb 0.72 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3m5p h GLN 341 CO 0.03 0.47 -0.10 0.37 -0.67 0.00 0.00 178.83 178.93 3m5p h GLN 342 N 0.73 -0.27 -0.64 1.46 4.15 -1.45 -3.27 115.11 115.83 3m5p h GLN 342 Ca 0.30 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.84 3m5p h GLN 342 Cb 0.17 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.84 3m5p h GLN 342 CO -0.17 0.05 0.25 0.00 -1.93 0.00 0.00 178.83 177.03 3m5p h ALA 343 N 0.09 0.84 0.00 3.38 0.00 -1.15 -1.54 119.26 120.87 3m5p h ALA 343 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m5p h ALA 343 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3m5p h ALA 343 CO 0.05 -0.18 0.00 -3.47 0.00 0.00 0.00 179.25 175.65 3m5p n ASP 344 N -4.98 0.00 0.00 0.00 -0.08 0.64 -3.56 116.55 108.57 3m5p n ASP 344 Ca 0.10 -1.56 0.00 0.00 -1.51 0.00 0.00 54.79 51.82 3m5p n ASP 344 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 3m5p n ASP 344 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3m5p n GLU 346 N -0.71 0.00 -0.03 -0.67 2.13 -0.58 -0.95 120.64 119.82 3m5p n GLU 346 Ca 0.10 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.80 3m5p n GLU 346 Cb 0.05 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.65 3m5p n GLU 346 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3m5p h SER 347 N 0.00 -0.03 -0.15 4.31 0.02 -1.67 -3.41 113.55 112.62 3m5p h SER 347 Ca 0.00 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 3m5p h SER 347 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3m5p h SER 347 CO 0.00 0.72 0.00 0.59 -1.14 0.00 0.00 176.83 177.00 3m5p n ASN 348 N -4.74 2.32 -4.22 3.07 5.03 -0.13 -4.20 115.26 112.40 3m5p n ASN 348 Ca -0.09 -1.68 -0.43 0.00 0.87 0.00 0.00 54.58 53.26 3m5p n ASN 348 Cb 0.35 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 3m5p n ASN 348 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m5p n GLY 349 N 0.56 3.43 3.00 7.41 0.00 -1.26 -1.11 105.19 117.22 3m5p n GLY 349 Ca 0.08 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 3m5p n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m5p s LYS 350 N 3.53 0.52 -0.01 1.61 -0.14 -1.26 -4.98 119.74 119.01 3m5p s LYS 350 Ca 0.50 -0.39 0.14 0.00 -1.36 0.00 0.00 55.97 54.87 3m5p s LYS 350 Cb 0.08 -0.45 -0.18 0.00 -1.68 0.00 0.00 37.83 35.60 3m5p s LYS 350 CO 0.01 0.11 0.50 0.43 -0.76 0.00 0.00 175.35 175.64 3m5p n SER 351 N 2.49 1.02 -4.47 2.83 7.64 -1.26 -4.68 113.62 117.20 3m5p n SER 351 Ca -0.16 -0.54 -0.29 0.00 1.01 0.00 0.00 58.87 58.90 3m5p n SER 351 Cb 0.57 1.24 -0.12 0.00 -1.01 0.00 0.00 64.21 64.89 3m5p n SER 351 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3m5p s VAL 352 N -2.58 2.72 0.85 0.44 -7.23 -1.26 -1.55 120.40 111.79 3m5p s VAL 352 Ca 0.02 -1.59 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 3m5p s VAL 352 Cb 0.10 -2.25 0.19 0.00 0.56 0.00 0.00 36.38 34.99 3m5p s VAL 352 CO 0.59 0.08 1.16 -0.46 -0.31 0.00 0.00 175.10 176.16 3m5p n ASN 353 N 0.76 0.20 -0.22 4.85 0.23 -0.11 -4.63 115.26 116.34 3m5p n ASN 353 Ca -0.16 -1.49 0.11 0.00 -0.53 0.00 0.00 54.58 52.51 3m5p n ASN 353 Cb 0.53 -0.88 0.40 0.00 -2.08 0.00 0.00 39.78 37.75 3m5p n ASN 353 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3m5p h ILE 354 N -1.58 0.88 0.00 1.53 1.08 -1.47 0.28 117.51 118.23 3m5p h ILE 354 Ca -0.38 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 3m5p h ILE 354 Cb 1.07 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 3m5p h ILE 354 CO 0.28 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.85 3m5p n ALA 355 N -2.46 2.30 -0.52 1.87 0.00 -1.26 -4.91 120.51 115.53 3m5p n ALA 355 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3m5p n ALA 355 Cb 0.41 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3m5p n ALA 355 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m5p n GLY 356 N 0.98 0.74 3.79 0.00 0.00 0.09 -5.06 105.19 105.73 3m5p n GLY 356 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3m5p n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m5p s GLU 357 N -0.48 4.43 0.01 1.61 2.02 -1.26 -4.76 118.70 120.27 3m5p s GLU 357 Ca 0.00 0.99 -0.30 0.00 0.02 0.00 0.00 54.97 55.68 3m5p s GLU 357 Cb 0.00 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 3m5p s GLU 357 CO 0.00 0.57 1.49 0.99 0.02 0.00 0.00 175.26 178.33 3m5p s THR 358 N -1.02 3.52 0.36 3.63 2.01 -1.26 -0.94 115.64 121.94 3m5p s THR 358 Ca 0.33 0.89 -0.22 0.00 0.31 0.00 0.00 61.69 63.01 3m5p s THR 358 Cb -0.21 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 3m5p s THR 358 CO 0.23 -0.01 0.90 0.68 -0.69 0.00 0.00 174.62 175.73 3m5p s VAL 359 N 2.66 4.39 -0.30 3.82 -7.23 -0.60 -4.93 120.40 118.21 3m5p s VAL 359 Ca 0.67 1.51 0.11 0.00 -1.81 0.00 0.00 61.98 62.46 3m5p s VAL 359 Cb -0.34 -3.76 0.78 0.00 0.56 0.00 0.00 36.38 33.62 3m5p s VAL 359 CO 0.28 -0.10 1.80 -3.20 -0.31 0.00 0.00 175.10 173.57 3m5p n ASN 360 N -0.09 5.16 -4.09 4.85 4.05 -1.26 -4.91 115.26 118.96 3m5p n ASN 360 Ca 0.04 -3.14 -0.12 0.00 0.45 0.00 0.00 54.58 51.81 3m5p n ASN 360 Cb 0.52 -0.73 -0.11 0.00 1.23 0.00 0.00 39.78 40.69 3m5p n ASN 360 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 3m5p s TYR 361 N -2.94 0.73 0.40 1.20 -0.85 -1.26 -5.13 117.35 109.50 3m5p s TYR 361 Ca 0.55 -0.63 -0.25 0.00 -0.52 0.00 0.00 57.07 56.22 3m5p s TYR 361 Cb 0.44 -0.43 -0.08 0.00 0.38 0.00 0.00 41.96 42.26 3m5p s TYR 361 CO 0.14 -0.11 1.21 -1.14 -1.52 0.00 0.00 175.55 174.14 3m5p s GLN 362 N -2.26 4.01 0.00 -3.49 0.74 -1.26 -5.04 119.66 112.36 3m5p s GLN 362 Ca -0.04 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3m5p s GLN 362 Cb -0.05 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.36 3m5p s GLN 362 CO -0.01 -0.38 0.00 0.25 -0.55 0.00 0.00 175.29 174.60 3m5p n THR 363 N 0.07 0.00 -1.93 -0.34 -2.24 -1.26 -4.96 114.28 103.62 3m5p n THR 363 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 3m5p n THR 363 Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 3m5p n THR 363 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3m5p s GLY 364 N 0.00 2.96 0.46 3.38 0.00 -0.27 -5.02 107.32 108.83 3m5p s GLY 364 Ca 0.00 1.42 0.07 0.00 0.00 0.00 0.00 44.72 46.21 3m5p s GLY 364 CO 0.00 2.08 0.39 -1.34 0.00 0.00 0.00 173.10 174.22 3m5p s VAL 365 N -1.16 2.30 0.11 1.40 -7.23 -1.26 -4.73 120.40 109.84 3m5p s VAL 365 Ca 0.53 -1.40 -0.31 0.00 -1.81 0.00 0.00 61.98 58.99 3m5p s VAL 365 Cb -0.43 -2.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 3m5p s VAL 365 CO 0.57 0.00 1.36 -0.69 -0.31 0.00 0.00 175.10 176.03 3m5p s VAL 366 N -2.58 3.40 -0.19 1.32 1.01 -0.91 -4.89 120.40 117.55 3m5p s VAL 366 Ca 0.44 1.01 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 3m5p s VAL 366 Cb -0.02 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3m5p s VAL 366 CO 0.26 0.08 0.07 -0.22 0.00 0.00 0.00 175.10 175.29 3m5p s LEU 367 N 1.04 3.82 0.30 3.92 2.96 -1.26 -0.75 118.68 128.71 3m5p s LEU 367 Ca 0.63 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.54 3m5p s LEU 367 Cb -0.36 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.36 3m5p s LEU 367 CO 0.30 0.15 0.48 -1.66 -1.32 0.00 0.00 176.35 174.30 3m5p s TRP 368 N 0.49 0.76 -3.01 5.38 1.48 -0.75 -4.82 118.94 118.47 3m5p s TRP 368 Ca 0.04 -1.07 0.00 0.00 -1.06 0.00 0.00 56.10 54.00 3m5p s TRP 368 Cb -0.13 0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.23 3m5p s TRP 368 CO 0.01 -1.09 0.00 0.41 -4.06 0.00 0.00 176.95 172.22 3m5p n GLY 369 N -0.48 -0.46 0.00 3.67 0.00 -1.26 -0.49 105.19 106.18 3m5p n GLY 369 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3m5p n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m5p n GLY 370 N 0.00 1.93 3.77 -0.02 0.00 -0.91 -4.96 105.19 105.01 3m5p n GLY 370 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3m5p n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m5p s VAL 371 N -2.00 2.66 0.07 1.61 1.01 -1.26 -3.57 120.40 118.92 3m5p s VAL 371 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3m5p s VAL 371 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3m5p s VAL 371 CO 0.00 0.16 0.30 -0.83 0.00 0.00 0.00 175.10 174.72 3m5p s GLY 372 N -0.47 2.23 0.00 4.51 0.00 -0.52 -1.28 107.32 111.78 3m5p s GLY 372 Ca 0.50 -0.63 0.29 0.00 0.00 0.00 0.00 44.72 44.88 3m5p s GLY 372 CO 0.54 -0.53 1.93 -1.30 0.00 0.00 0.00 173.10 173.74 3m5p n THR 373 N 0.52 0.00 -0.27 0.90 -2.24 -1.26 -3.76 114.28 108.16 3m5p n THR 373 Ca -0.06 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 3m5p n THR 373 Cb 0.52 -0.04 0.20 0.00 -2.10 0.00 0.00 70.33 68.91 3m5p n THR 373 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3m5p h ASN 374 N 0.93 0.40 -0.24 3.42 4.21 -1.89 -0.96 115.58 121.44 3m5p h ASN 374 Ca 0.00 0.10 0.07 0.00 1.21 0.00 0.00 56.30 57.68 3m5p h ASN 374 Cb 0.29 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3m5p h ASN 374 CO 0.00 0.16 0.18 1.23 -1.29 0.00 0.00 177.43 177.71 3m5p h GLY 375 N 0.53 0.00 1.21 2.83 0.00 -1.48 0.09 103.07 106.24 3m5p h GLY 375 Ca 0.43 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.87 3m5p h GLY 375 CO -0.38 0.00 0.30 1.46 0.00 0.00 0.00 176.54 177.92 3m5p h GLN 376 N 0.00 0.00 -0.51 4.80 4.20 -1.46 -1.01 115.11 121.13 3m5p h GLN 376 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3m5p h GLN 376 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3m5p h GLN 376 CO -0.00 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.88 3m5p n HIS 377 N -4.15 1.02 0.07 2.96 8.25 0.01 -4.40 115.22 118.98 3m5p n HIS 377 Ca 0.06 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3m5p n HIS 377 Cb 0.47 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3m5p n HIS 377 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m5p n ALA 378 N 0.76 3.00 -0.43 -1.41 0.00 -0.53 -5.01 120.51 116.90 3m5p n ALA 378 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3m5p n ALA 378 Cb 0.71 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.31 3m5p n ALA 378 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3m5p n PHE 379 N -3.36 0.00 0.27 0.00 1.16 -0.50 -4.72 117.46 110.31 3m5p n PHE 379 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.71 3m5p n PHE 379 Cb 0.00 0.00 0.79 0.00 -1.61 0.00 0.00 39.48 38.66 3m5p n PHE 379 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3m5p h HIS 380 N 0.00 0.00 -0.84 2.97 3.86 -1.54 -1.18 115.15 118.42 3m5p h HIS 380 Ca 0.00 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.42 3m5p h HIS 380 Cb 0.21 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.54 3m5p h HIS 380 CO 0.00 0.08 0.07 0.37 0.86 0.00 0.00 177.93 179.31 3m5p h GLN 381 N 0.00 0.11 -0.33 2.45 5.75 -1.85 0.40 115.11 121.64 3m5p h GLN 381 Ca -0.00 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3m5p h GLN 381 Cb 0.22 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3m5p h GLN 381 CO 0.01 0.07 -0.39 1.25 -2.65 0.00 0.00 178.83 177.12 3m5p h LEU 382 N 0.11 0.84 -1.75 -2.39 6.46 -1.57 0.00 115.31 117.02 3m5p h LEU 382 Ca 0.49 -0.38 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3m5p h LEU 382 Cb 0.93 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 3m5p h LEU 382 CO -0.72 1.12 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.13 3m5p h LEU 383 N 0.64 0.11 0.12 2.25 3.38 -0.98 0.06 115.31 120.90 3m5p h LEU 383 Ca 0.05 -0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 3m5p h LEU 383 Cb 0.94 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3m5p h LEU 383 CO 0.09 0.16 -1.96 0.45 0.09 0.00 0.00 178.44 177.27 3m5p h HIS 384 N 0.13 0.47 0.00 1.13 3.86 -0.71 -3.43 115.15 116.60 3m5p h HIS 384 Ca 0.03 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 3m5p h HIS 384 Cb 0.13 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3m5p h HIS 384 CO 0.00 1.72 0.00 1.04 0.86 0.00 0.00 177.93 181.56 3m5p n GLN 385 N -3.46 2.15 -1.00 2.45 6.02 -0.04 -4.19 117.38 119.31 3m5p n GLN 385 Ca -0.30 -0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.21 3m5p n GLN 385 Cb 1.05 -0.61 0.24 0.00 1.02 0.00 0.00 30.24 31.94 3m5p n GLN 385 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3m5p s GLY 386 N -0.36 1.56 -0.27 1.08 0.00 0.00 -4.98 107.32 104.35 3m5p s GLY 386 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 44.72 43.99 3m5p s GLY 386 CO 0.00 0.03 1.19 1.16 0.00 0.00 0.00 173.10 175.48 3m5p n ASN 387 N -4.77 4.01 -4.46 1.64 0.23 -1.26 -4.97 115.26 105.67 3m5p n ASN 387 Ca 0.11 -3.65 -0.34 0.00 -0.53 0.00 0.00 54.58 50.18 3m5p n ASN 387 Cb 0.59 -0.39 -0.13 0.00 -2.08 0.00 0.00 39.78 37.78 3m5p n ASN 387 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3m5p s ILE 388 N -4.20 3.70 -0.25 1.53 -1.09 -1.26 -5.09 121.20 114.54 3m5p s ILE 388 Ca 0.47 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.17 3m5p s ILE 388 Cb 0.40 -2.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3m5p s ILE 388 CO 0.01 0.49 1.11 0.12 -1.23 0.00 0.00 174.94 175.44 3m5p s PHE 389 N 0.43 3.14 -0.17 3.97 5.36 -1.26 -5.00 117.98 124.45 3m5p s PHE 389 Ca -0.05 1.26 -0.05 0.00 -0.96 0.00 0.00 56.93 57.13 3m5p s PHE 389 Cb -0.15 -3.48 0.06 0.00 -0.34 0.00 0.00 43.02 39.11 3m5p s PHE 389 CO 0.03 -0.88 0.09 0.42 -1.46 0.00 0.00 175.22 173.42 3m5p s ILE 390 N 3.48 -0.08 0.43 3.12 1.01 -1.26 -4.57 121.20 123.33 3m5p s ILE 390 Ca 0.47 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 3m5p s ILE 390 Cb -0.16 -0.60 -0.08 0.00 0.01 0.00 0.00 42.46 41.64 3m5p s ILE 390 CO 0.12 -0.30 1.35 -2.84 0.00 0.00 0.00 174.94 173.27 3m5p s PRO 391 N 2.13 3.84 -0.07 2.79 0.02 -1.26 -4.81 135.00 137.64 3m5p s PRO 391 Ca 0.02 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.32 3m5p s PRO 391 Cb -0.16 -2.70 0.01 0.00 0.02 0.00 0.00 34.50 31.67 3m5p s PRO 391 CO -0.10 -0.63 -0.17 0.08 -0.33 0.00 0.00 177.00 175.85 3m5p s VAL 392 N -1.25 1.52 -0.16 3.83 1.01 -1.24 -1.08 120.40 123.04 3m5p s VAL 392 Ca 0.59 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3m5p s VAL 392 Cb -0.40 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3m5p s VAL 392 CO 0.51 0.44 -0.04 -1.81 0.00 0.00 0.00 175.10 174.20 3m5p s ASP 393 N 0.43 4.75 -0.13 3.32 1.01 -0.10 -1.02 116.67 124.92 3m5p s ASP 393 Ca -0.14 -0.15 -0.05 0.00 0.71 0.00 0.00 52.55 52.92 3m5p s ASP 393 Cb -0.16 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 3m5p s ASP 393 CO 0.05 0.16 0.05 -0.36 0.21 0.00 0.00 175.17 175.29 3m5p s PHE 394 N 0.41 3.29 -0.23 4.23 0.08 0.67 -0.59 117.98 125.84 3m5p s PHE 394 Ca -0.04 0.22 -0.05 0.00 0.12 0.00 0.00 56.93 57.18 3m5p s PHE 394 Cb -0.14 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 3m5p s PHE 394 CO 0.03 0.42 -0.00 0.42 -0.10 0.00 0.00 175.22 175.99 3m5p s ILE 395 N -0.49 3.76 0.02 0.64 -1.09 -0.69 -0.60 121.20 122.75 3m5p s ILE 395 Ca 0.10 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.23 3m5p s ILE 395 Cb -0.12 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3m5p s ILE 395 CO 0.02 0.40 -0.21 0.00 -1.23 0.00 0.00 174.94 173.92 3m5p s ALA 396 N 1.44 2.44 -0.21 9.38 0.00 0.11 -0.05 121.76 134.87 3m5p s ALA 396 Ca 0.05 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3m5p s ALA 396 Cb -0.15 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.33 3m5p s ALA 396 CO -0.00 0.55 -0.14 0.42 0.00 0.00 0.00 175.76 176.59 3m5p s ILE 397 N -0.81 2.30 0.17 0.00 -1.09 -1.26 -0.72 121.20 119.80 3m5p s ILE 397 Ca 0.13 -1.11 -0.12 0.00 -2.23 0.00 0.00 60.65 57.31 3m5p s ILE 397 Cb -0.10 -2.11 0.08 0.00 -1.58 0.00 0.00 42.46 38.75 3m5p s ILE 397 CO 0.03 0.33 1.76 0.00 -1.23 0.00 0.00 174.94 175.82 3m5p h ALA 398 N 7.92 0.77 -3.98 9.38 0.00 -0.70 -3.43 119.26 129.22 3m5p h ALA 398 Ca -0.37 -0.13 -0.43 0.00 0.00 0.00 0.00 54.91 53.98 3m5p h ALA 398 Cb 1.11 -0.24 -0.27 0.00 0.00 0.00 0.00 17.79 18.39 3m5p h ALA 398 CO 0.58 0.34 -0.79 0.95 0.00 0.00 0.00 179.25 180.33 3m5p s THR 399 N -5.70 0.93 0.00 0.00 -4.23 -0.82 -5.00 115.64 100.82 3m5p s THR 399 Ca -0.13 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3m5p s THR 399 Cb 0.13 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 73.16 3m5p s THR 399 CO 0.78 0.16 0.00 -0.24 -0.54 0.00 0.00 174.62 174.78 3m5p n SER 400 N 2.51 0.30 -0.80 3.99 2.88 -1.26 -4.32 113.62 116.92 3m5p n SER 400 Ca -0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3m5p n SER 400 Cb 0.56 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.18 3m5p n SER 400 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m5p n HIS 401 N 0.00 0.45 -4.39 0.66 1.44 -1.26 -5.00 115.22 107.12 3m5p n HIS 401 Ca 0.00 -0.35 -0.22 0.00 -2.01 0.00 0.00 57.72 55.14 3m5p n HIS 401 Cb 0.00 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.01 3m5p n HIS 401 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 3m5p s HIS 402 N -1.08 1.71 -0.19 -1.40 -3.43 -1.26 -5.08 115.29 104.56 3m5p s HIS 402 Ca 0.28 -1.43 0.16 0.00 -0.80 0.00 0.00 55.06 53.27 3m5p s HIS 402 Cb 0.15 -0.93 0.55 0.00 -1.43 0.00 0.00 32.58 30.93 3m5p s HIS 402 CO 0.21 -0.54 1.45 0.09 -2.00 0.00 0.00 174.74 173.95 3m5p n ASN 403 N -1.25 3.93 -3.89 7.38 3.02 -1.26 -4.77 115.26 118.42 3m5p n ASN 403 Ca 0.00 -3.06 -0.42 0.00 -0.03 0.00 0.00 54.58 51.07 3m5p n ASN 403 Cb 0.64 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3m5p n ASN 403 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3m5p n TYR 404 N -0.48 3.64 0.01 3.10 4.01 -1.26 -4.77 117.16 121.41 3m5p n TYR 404 Ca 0.23 -2.87 0.01 0.00 -0.16 0.00 0.00 57.90 55.11 3m5p n TYR 404 Cb 0.93 -2.53 0.34 0.00 -0.31 0.00 0.00 39.34 37.77 3m5p n TYR 404 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3m5p h ASP 405 N 6.44 0.45 -0.73 7.72 3.32 -1.99 -1.28 116.42 130.34 3m5p h ASP 405 Ca 0.54 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 3m5p h ASP 405 Cb 0.69 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3m5p h ASP 405 CO 1.81 0.49 0.38 -0.55 -1.72 0.00 0.00 179.24 179.65 3m5p h ASN 406 N 0.48 0.95 -0.25 6.45 -1.07 -1.99 -0.06 115.58 120.08 3m5p h ASN 406 Ca 0.11 -0.09 -0.05 0.00 0.07 0.00 0.00 56.30 56.34 3m5p h ASN 406 Cb 0.25 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 36.25 3m5p h ASN 406 CO 0.00 0.78 -0.02 0.45 0.07 0.00 0.00 177.43 178.71 3m5p h HIS 407 N 1.05 0.50 -0.74 4.14 3.86 -1.66 -1.85 115.15 120.45 3m5p h HIS 407 Ca 0.26 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3m5p h HIS 407 Cb 0.07 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3m5p h HIS 407 CO 0.01 0.64 0.35 0.37 0.86 0.00 0.00 177.93 180.16 3m5p h GLN 408 N 0.22 1.07 -0.42 2.45 5.75 -1.22 0.49 115.11 123.44 3m5p h GLN 408 Ca 0.07 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 3m5p h GLN 408 Cb 0.45 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3m5p h GLN 408 CO 0.02 0.84 0.10 0.37 -2.65 0.00 0.00 178.83 177.50 3m5p h GLN 409 N 1.04 0.67 -0.78 1.69 4.15 -0.95 -2.14 115.11 118.79 3m5p h GLN 409 Ca 0.25 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 3m5p h GLN 409 Cb 0.13 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3m5p h GLN 409 CO -0.03 0.69 0.41 0.00 -1.93 0.00 0.00 178.83 177.97 3m5p h ALA 410 N 0.95 1.01 -0.20 3.38 0.00 -1.08 0.01 119.26 123.34 3m5p h ALA 410 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3m5p h ALA 410 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3m5p h ALA 410 CO 0.00 0.53 0.05 1.25 0.00 0.00 0.00 179.25 181.08 3m5p h LEU 411 N 1.09 0.02 -0.33 0.00 5.85 -0.66 -1.02 115.31 120.27 3m5p h LEU 411 Ca 0.27 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 3m5p h LEU 411 Cb 0.06 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3m5p h LEU 411 CO -0.04 0.04 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.88 3m5p h LEU 412 N 0.13 0.70 -0.90 2.25 3.38 -1.25 -1.72 115.31 117.89 3m5p h LEU 412 Ca 0.09 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.77 3m5p h LEU 412 Cb 0.08 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 3m5p h LEU 412 CO -0.11 0.95 0.53 0.00 0.09 0.00 0.00 178.44 179.90 3m5p h ALA 413 N 0.78 1.33 -0.44 1.53 0.00 -0.77 -0.86 119.26 120.83 3m5p h ALA 413 Ca 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3m5p h ALA 413 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3m5p h ALA 413 CO 0.05 0.12 0.05 -0.91 0.00 0.00 0.00 179.25 178.56 3m5p h ASN 414 N 0.85 0.72 -0.12 0.00 2.35 -1.00 0.49 115.58 118.88 3m5p h ASN 414 Ca 0.45 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3m5p h ASN 414 Cb 0.46 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3m5p h ASN 414 CO -0.27 0.82 -0.04 0.00 -1.65 0.00 0.00 177.43 176.29 3m5p h PHE 416 N -0.01 0.35 -0.33 0.00 0.04 -1.09 -2.74 116.94 113.16 3m5p h PHE 416 Ca 0.06 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3m5p h PHE 416 Cb 0.10 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3m5p h PHE 416 CO -0.17 0.72 -0.07 0.00 -0.60 0.00 0.00 178.31 178.20 3m5p h ALA 417 N 1.26 1.28 -0.28 2.45 0.00 -0.58 -0.93 119.26 122.46 3m5p h ALA 417 Ca 0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3m5p h ALA 417 Cb 0.95 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3m5p h ALA 417 CO 0.08 0.48 -0.25 1.96 0.00 0.00 0.00 179.25 181.51 3m5p h GLN 418 N 0.50 0.67 -0.43 0.00 1.08 -0.85 0.15 115.11 116.22 3m5p h GLN 418 Ca 0.10 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 56.82 3m5p h GLN 418 Cb 0.43 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3m5p h GLN 418 CO 0.02 0.95 -0.25 0.66 -0.95 0.00 0.00 178.83 179.26 3m5p h SER 419 N 0.40 0.94 -0.67 1.46 4.64 -1.45 -1.24 113.55 117.63 3m5p h SER 419 Ca 0.05 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 3m5p h SER 419 Cb 0.82 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3m5p h SER 419 CO 0.06 1.13 0.34 -0.61 -0.87 0.00 0.00 176.83 176.88 3m5p h GLN 420 N 0.78 0.95 -0.54 4.77 4.15 -1.01 -2.96 115.11 121.26 3m5p h GLN 420 Ca 0.10 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 3m5p h GLN 420 Cb 0.81 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 3m5p h GLN 420 CO 0.07 0.75 0.21 0.00 -1.93 0.00 0.00 178.83 177.92 3m5p h ALA 421 N 1.16 0.70 0.00 3.38 0.00 -0.45 -0.41 119.26 123.64 3m5p h ALA 421 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m5p h ALA 421 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3m5p h ALA 421 CO -0.03 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.82 3m5p n LEU 422 N -4.51 0.00 0.00 0.00 4.77 -0.49 -1.01 117.00 115.76 3m5p n LEU 422 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3m5p n LEU 422 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3m5p n LEU 422 CO 0.38 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 176.93 3m5p n PHE 424 N 0.24 0.00 -4.94 -1.77 3.01 -0.16 -0.85 117.46 112.98 3m5p n PHE 424 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3m5p n PHE 424 Cb 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 3m5p n PHE 424 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m5p n GLY 425 N -0.12 -0.24 3.14 1.37 0.00 -0.18 -4.55 105.19 104.62 3m5p n GLY 425 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3m5p n GLY 425 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m5p s GLN 426 N 0.00 0.28 0.63 1.61 0.74 -0.18 -4.93 119.66 117.82 3m5p s GLN 426 Ca 0.00 0.65 -0.07 0.00 0.05 0.00 0.00 55.36 55.99 3m5p s GLN 426 Cb 0.00 -0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.06 3m5p s GLN 426 CO 0.00 -0.17 0.95 -1.54 -0.55 0.00 0.00 175.29 173.99 3m5p s SER 427 N 1.36 5.37 0.17 6.67 1.04 -1.26 -1.47 113.70 125.58 3m5p s SER 427 Ca -0.09 0.69 -0.15 0.00 0.48 0.00 0.00 55.95 56.87 3m5p s SER 427 Cb -0.10 -1.57 0.12 0.00 0.10 0.00 0.00 66.02 64.57 3m5p s SER 427 CO -0.10 -1.23 1.70 0.22 0.98 0.00 0.00 173.24 174.81 3m5p h TYR 428 N -0.33 0.03 0.00 5.02 3.20 -1.96 0.23 116.97 123.15 3m5p h TYR 428 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3m5p h TYR 428 Cb 1.27 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3m5p h TYR 428 CO 0.44 -0.05 0.00 -3.47 -1.64 0.00 0.00 178.16 173.43 3m5p n ASP 429 N -5.17 0.20 0.00 -2.11 2.03 -1.26 -0.12 116.55 110.12 3m5p n ASP 429 Ca 0.03 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.10 3m5p n ASP 429 Cb 0.21 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 3m5p n ASP 429 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3m5p n VAL 431 N 0.61 0.00 -0.13 5.18 0.31 0.07 -1.36 118.33 123.01 3m5p n VAL 431 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3m5p n VAL 431 Cb 0.04 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.99 3m5p n VAL 431 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3m5p h TYR 432 N 0.00 0.39 -0.64 3.52 3.20 -0.76 0.33 116.97 123.01 3m5p h TYR 432 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3m5p h TYR 432 Cb 0.00 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3m5p h TYR 432 CO 0.00 0.21 0.06 -0.91 -1.64 0.00 0.00 178.16 175.88 3m5p h ASN 433 N 0.43 1.05 -0.70 -2.11 2.35 -1.45 -1.45 115.58 113.70 3m5p h ASN 433 Ca 0.17 -0.27 0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3m5p h ASN 433 Cb 0.06 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.09 3m5p h ASN 433 CO -0.11 1.06 0.35 -0.08 -1.65 0.00 0.00 177.43 177.01 3m5p h GLU 434 N 1.00 0.59 -0.38 0.81 4.81 -1.71 -1.11 114.58 118.60 3m5p h GLU 434 Ca 0.19 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 3m5p h GLU 434 Cb 0.49 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3m5p h GLU 434 CO 0.02 0.39 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.23 3m5p h LEU 435 N 0.61 1.00 -0.34 1.64 3.38 -0.23 -0.45 115.31 120.93 3m5p h LEU 435 Ca 0.34 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3m5p h LEU 435 Cb 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3m5p h LEU 435 CO -0.26 1.26 0.21 -0.07 0.09 0.00 0.00 178.44 179.67 3m5p h LEU 436 N 0.76 0.35 -1.62 1.67 3.38 -1.17 -1.82 115.31 116.86 3m5p h LEU 436 Ca 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3m5p h LEU 436 Cb 0.99 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3m5p h LEU 436 CO 0.10 0.25 -0.21 0.11 0.09 0.00 0.00 178.44 178.78 3m5p h LYS 437 N 0.42 0.00 0.00 1.13 1.57 -0.90 -0.45 116.57 118.35 3m5p h LYS 437 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3m5p h LYS 437 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3m5p h LYS 437 CO -0.05 0.21 0.00 -1.13 -0.57 0.00 0.00 179.45 177.91 3m5p n SER 438 N -3.86 0.03 0.00 0.86 3.41 -0.20 -4.92 113.62 108.94 3m5p n SER 438 Ca -0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3m5p n SER 438 Cb 0.30 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3m5p n SER 438 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m5p n GLY 439 N 1.00 1.10 3.79 5.00 0.00 -0.18 -5.08 105.19 110.83 3m5p n GLY 439 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3m5p n GLY 439 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m5p s LEU 440 N 0.00 4.13 0.93 0.99 1.43 -0.71 -5.02 118.68 120.43 3m5p s LEU 440 Ca 0.00 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 3m5p s LEU 440 Cb 0.00 -4.21 0.15 0.00 0.03 0.00 0.00 46.19 42.16 3m5p s LEU 440 CO 0.00 -0.44 1.13 0.54 0.23 0.00 0.00 176.35 177.80 3m5p s ASN 441 N -1.64 3.35 0.17 2.29 2.20 -1.26 -4.40 114.94 115.66 3m5p s ASN 441 Ca 0.58 1.01 -0.14 0.00 -0.94 0.00 0.00 52.86 53.37 3m5p s ASN 441 Cb -0.20 -1.60 0.13 0.00 -2.00 0.00 0.00 41.25 37.57 3m5p s ASN 441 CO 0.26 -2.65 1.76 -0.33 -2.94 0.00 0.00 177.10 173.19 3m5p h GLU 442 N -1.57 0.36 -0.20 3.55 5.08 -1.98 0.68 114.58 120.50 3m5p h GLU 442 Ca -0.51 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 3m5p h GLU 442 Cb 1.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3m5p h GLU 442 CO 0.61 0.24 0.10 1.15 -1.00 0.00 0.00 179.01 180.11 3m5p h THR 443 N 0.37 1.13 -0.30 1.13 2.02 -1.99 0.04 112.91 115.31 3m5p h THR 443 Ca 0.21 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3m5p h THR 443 Cb 0.19 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3m5p h THR 443 CO -0.20 0.13 0.17 1.56 0.37 0.00 0.00 175.52 177.55 3m5p h GLN 444 N 0.20 0.42 -0.65 6.66 4.20 -1.87 -1.00 115.11 123.07 3m5p h GLN 444 Ca 0.07 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3m5p h GLN 444 Cb 0.11 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3m5p h GLN 444 CO -0.01 0.35 0.42 0.00 -0.67 0.00 0.00 178.83 178.92 3m5p h ALA 445 N 1.05 0.83 -0.48 3.87 0.00 -0.73 -1.82 119.26 121.98 3m5p h ALA 445 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3m5p h ALA 445 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3m5p h ALA 445 CO -0.02 0.21 -0.02 0.87 0.00 0.00 0.00 179.25 180.30 3m5p h LYS 446 N 0.84 0.81 -0.14 0.00 1.57 -0.77 -1.02 116.57 117.86 3m5p h LYS 446 Ca 0.25 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 3m5p h LYS 446 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3m5p h LYS 446 CO -0.07 0.82 -0.49 0.93 -0.57 0.00 0.00 179.45 180.07 3m5p h GLU 447 N 0.75 0.36 0.03 3.15 5.08 -0.90 -3.34 114.58 119.70 3m5p h GLU 447 Ca 0.14 -0.20 -0.31 0.00 -1.00 0.00 0.00 59.36 57.99 3m5p h GLU 447 Cb 0.48 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3m5p h GLU 447 CO 0.02 0.77 -1.80 -0.11 -1.00 0.00 0.00 179.01 176.89 3m5p n LEU 448 N -3.97 1.24 -0.24 1.33 7.94 -0.71 -4.61 117.00 117.98 3m5p n LEU 448 Ca -0.02 0.36 0.01 0.00 -1.11 0.00 0.00 56.01 55.24 3m5p n LEU 448 Cb 0.55 -0.10 0.13 0.00 0.53 0.00 0.00 43.42 44.52 3m5p n LEU 448 CO 0.44 0.50 1.06 0.00 -1.11 0.00 0.00 177.39 178.28 3m5p h ALA 449 N 0.80 0.94 -0.49 1.96 0.00 -1.31 0.32 119.26 121.48 3m5p h ALA 449 Ca -0.33 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3m5p h ALA 449 Cb 2.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 3m5p h ALA 449 CO 0.08 -0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.61 3m5p h ALA 450 N 1.41 1.98 0.00 0.00 0.00 -1.82 -1.15 119.26 119.69 3m5p h ALA 450 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3m5p h ALA 450 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3m5p h ALA 450 CO -0.26 -0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.37 3m5p h HIS 451 N 0.37 0.00 -0.00 0.00 -0.00 -1.22 -3.05 115.15 111.25 3m5p h HIS 451 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3m5p h HIS 451 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3m5p h HIS 451 CO -0.00 0.00 -0.75 1.63 -0.00 0.00 0.00 177.93 178.81 3m5p n LYS 452 N -3.04 0.34 -1.90 2.45 5.02 -0.46 -4.95 118.16 115.62 3m5p n LYS 452 Ca 0.02 -0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 55.62 3m5p n LYS 452 Cb 0.37 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 3m5p n LYS 452 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m5p s VAL 453 N -2.84 2.43 -0.22 -0.18 1.01 -1.03 -4.90 120.40 114.66 3m5p s VAL 453 Ca 0.12 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.45 3m5p s VAL 453 Cb 0.17 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3m5p s VAL 453 CO 0.75 0.04 -0.13 -0.63 0.00 0.00 0.00 175.10 175.13 3m5p s ILE 454 N 0.43 2.36 0.30 2.22 1.01 -0.54 -4.96 121.20 122.02 3m5p s ILE 454 Ca 0.65 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3m5p s ILE 454 Cb -0.45 -2.18 0.22 0.00 0.01 0.00 0.00 42.46 40.06 3m5p s ILE 454 CO 0.40 0.27 1.91 -0.65 0.00 0.00 0.00 174.94 176.87 3m5p h PRO 455 N 7.92 0.95 0.00 2.79 0.10 -1.82 -0.44 132.00 141.49 3m5p h PRO 455 Ca -0.34 -0.11 0.00 0.00 0.10 0.00 0.00 66.00 65.65 3m5p h PRO 455 Cb 1.10 -0.19 0.00 0.00 0.10 0.00 0.00 31.00 32.02 3m5p h PRO 455 CO 0.57 0.71 0.00 0.41 0.10 0.00 0.00 178.00 179.79 3m5p n GLY 456 N -1.18 -1.22 2.52 -0.55 0.00 -1.26 -4.65 105.19 98.84 3m5p n GLY 456 Ca 0.07 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 3m5p n GLY 456 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m5p n ASN 457 N -0.96 -5.64 -4.68 1.61 5.15 -0.92 -4.90 115.26 104.91 3m5p n ASN 457 Ca 0.00 -0.09 -0.35 0.00 -0.60 0.00 0.00 54.58 53.54 3m5p n ASN 457 Cb 0.00 -4.62 -0.09 0.00 -0.53 0.00 0.00 39.78 34.54 3m5p n ASN 457 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3m5p s ARG 458 N -5.14 3.49 0.48 1.20 0.52 -0.03 -4.94 118.95 114.52 3m5p s ARG 458 Ca 0.08 -0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 3m5p s ARG 458 Cb -0.03 -3.03 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 3m5p s ARG 458 CO 0.09 0.52 0.99 -1.25 0.02 0.00 0.00 175.30 175.68 3m5p s PRO 459 N -0.35 3.97 0.13 3.54 0.04 -1.26 -4.75 135.00 136.32 3m5p s PRO 459 Ca 0.08 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.12 3m5p s PRO 459 Cb -0.12 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.32 3m5p s PRO 459 CO 0.02 -0.26 0.40 -1.54 0.04 0.00 0.00 177.00 175.66 3m5p s SER 460 N -2.39 -0.22 -0.03 6.66 1.04 -1.01 -3.67 113.70 114.08 3m5p s SER 460 Ca 0.63 -0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.78 3m5p s SER 460 Cb -0.12 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3m5p s SER 460 CO 0.21 -0.86 -0.25 -0.89 0.98 0.00 0.00 173.24 172.43 3m5p s THR 461 N -3.81 1.98 -0.16 2.02 2.01 -0.19 -3.36 115.64 114.12 3m5p s THR 461 Ca 0.04 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 60.99 3m5p s THR 461 Cb 0.02 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3m5p s THR 461 CO -0.11 0.56 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.31 3m5p s THR 462 N -0.46 2.43 -0.33 -0.82 2.01 -0.39 -0.24 115.64 117.84 3m5p s THR 462 Ca 0.06 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 3m5p s THR 462 Cb -0.11 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.40 3m5p s THR 462 CO 0.00 0.52 0.14 -0.63 -0.69 0.00 0.00 174.62 173.97 3m5p s ILE 463 N 0.96 4.29 -0.22 1.82 1.01 0.23 -0.88 121.20 128.41 3m5p s ILE 463 Ca -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3m5p s ILE 463 Cb -0.15 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3m5p s ILE 463 CO -0.03 -0.08 0.03 -0.22 0.00 0.00 0.00 174.94 174.64 3m5p s LEU 464 N 1.53 3.29 0.02 2.97 2.96 0.28 -0.71 118.68 129.02 3m5p s LEU 464 Ca 0.02 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3m5p s LEU 464 Cb -0.18 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3m5p s LEU 464 CO 0.05 0.01 0.21 -0.76 -1.32 0.00 0.00 176.35 174.54 3m5p s LEU 465 N 1.33 4.36 0.24 -0.68 1.02 0.10 -0.67 118.68 124.38 3m5p s LEU 465 Ca 0.04 0.37 -0.05 0.00 0.02 0.00 0.00 54.13 54.52 3m5p s LEU 465 Cb -0.15 -2.76 0.26 0.00 0.02 0.00 0.00 46.19 43.56 3m5p s LEU 465 CO 0.02 0.22 1.78 -2.24 0.02 0.00 0.00 176.35 176.15 3m5p h ASP 466 N 3.58 0.94 -5.00 2.29 2.03 -1.63 0.15 116.42 118.77 3m5p h ASP 466 Ca -0.48 -0.18 0.04 0.00 -0.73 0.00 0.00 57.03 55.69 3m5p h ASP 466 Cb 1.18 -0.25 -0.08 0.00 -0.83 0.00 0.00 39.33 39.35 3m5p h ASP 466 CO 0.71 0.90 0.25 -1.83 -1.03 0.00 0.00 179.24 178.23 3m5p s GLU 467 N -5.31 1.52 -0.92 4.15 -1.05 -1.26 -1.95 118.70 113.88 3m5p s GLU 467 Ca -0.11 -0.74 -0.07 0.00 -0.15 0.00 0.00 54.97 53.90 3m5p s GLU 467 Cb 0.15 0.58 0.23 0.00 -0.44 0.00 0.00 34.13 34.66 3m5p s GLU 467 CO 0.82 -0.69 0.84 -1.17 0.95 0.00 0.00 175.26 176.02 3m5p s LEU 468 N -2.84 6.05 0.40 1.83 2.96 -1.26 -4.74 118.68 121.08 3m5p s LEU 468 Ca 0.07 -3.34 0.08 0.00 -0.22 0.00 0.00 54.13 50.72 3m5p s LEU 468 Cb -0.04 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3m5p s LEU 468 CO -0.02 -0.33 0.41 -0.94 -1.32 0.00 0.00 176.35 174.15 3m5p s SER 469 N 0.97 5.27 0.22 3.68 1.04 -1.26 -4.93 113.70 118.70 3m5p s SER 469 Ca 0.25 -0.60 -0.09 0.00 0.48 0.00 0.00 55.95 55.99 3m5p s SER 469 Cb -0.11 -0.70 0.34 0.00 0.10 0.00 0.00 66.02 65.65 3m5p s SER 469 CO -0.09 -0.61 1.69 -0.65 0.98 0.00 0.00 173.24 174.56 3m5p h PRO 470 N 0.98 0.21 -0.06 4.02 0.11 -1.92 -0.26 132.00 135.08 3m5p h PRO 470 Ca -0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3m5p h PRO 470 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3m5p h PRO 470 CO 0.55 0.14 0.03 -0.92 -0.21 0.00 0.00 178.00 177.58 3m5p h TYR 471 N 0.22 0.10 -0.11 0.65 3.20 -1.86 -1.39 116.97 117.77 3m5p h TYR 471 Ca 0.34 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 3m5p h TYR 471 Cb 0.54 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3m5p h TYR 471 CO -0.28 0.21 -0.39 0.77 -1.64 0.00 0.00 178.16 176.82 3m5p h SER 472 N -0.04 0.25 -0.52 -2.11 0.02 -1.79 -1.83 113.55 107.53 3m5p h SER 472 Ca 0.02 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3m5p h SER 472 Cb 0.15 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3m5p h SER 472 CO -0.00 0.63 0.11 0.25 -1.14 0.00 0.00 176.83 176.67 3m5p h LEU 473 N 0.21 0.80 -0.66 5.07 5.85 -0.95 -0.66 115.31 124.96 3m5p h LEU 473 Ca 0.02 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3m5p h LEU 473 Cb 0.79 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3m5p h LEU 473 CO 0.06 0.83 0.42 1.23 -0.34 0.00 0.00 178.44 180.65 3m5p h GLY 474 N 0.72 0.95 0.99 3.75 0.00 -0.87 -1.32 103.07 107.29 3m5p h GLY 474 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3m5p h GLY 474 CO 0.00 0.36 0.11 0.00 0.00 0.00 0.00 176.54 177.02 3m5p h ALA 475 N 1.22 0.22 -0.27 3.60 0.00 -1.17 -2.28 119.26 120.59 3m5p h ALA 475 Ca 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3m5p h ALA 475 Cb -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m5p h ALA 475 CO -0.05 -0.29 0.14 1.25 0.00 0.00 0.00 179.25 180.30 3m5p h LEU 476 N 0.23 0.20 -0.41 0.00 5.85 -0.67 -1.02 115.31 119.50 3m5p h LEU 476 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3m5p h LEU 476 Cb -0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3m5p h LEU 476 CO -0.01 0.15 0.22 0.40 -0.34 0.00 0.00 178.44 178.86 3m5p h ILE 477 N 0.29 1.16 -0.89 4.05 2.04 -1.20 -2.70 117.51 120.26 3m5p h ILE 477 Ca 0.11 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3m5p h ILE 477 Cb 0.03 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3m5p h ILE 477 CO -0.08 0.17 0.58 0.00 0.00 0.00 0.00 178.15 178.83 3m5p h ALA 478 N 1.07 1.43 -0.45 1.87 0.00 -1.11 -0.75 119.26 121.30 3m5p h ALA 478 Ca 0.14 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3m5p h ALA 478 Cb 0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3m5p h ALA 478 CO -0.02 0.50 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 3m5p h LEU 479 N 1.13 -0.10 -0.54 0.00 3.38 -0.86 -1.58 115.31 116.75 3m5p h LEU 479 Ca 0.35 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 3m5p h LEU 479 Cb -0.02 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3m5p h LEU 479 CO -0.10 -0.02 -0.36 1.88 0.09 0.00 0.00 178.44 179.93 3m5p h TYR 480 N 0.16 0.93 -0.74 1.13 0.05 -1.27 -1.26 116.97 115.97 3m5p h TYR 480 Ca 0.23 -0.26 0.11 0.00 0.05 0.00 0.00 58.73 58.85 3m5p h TYR 480 Cb 0.32 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 3m5p h TYR 480 CO -0.26 1.03 0.36 0.93 -1.05 0.00 0.00 178.16 179.18 3m5p h GLU 481 N 0.65 0.57 0.01 4.88 5.08 -0.70 -1.47 114.58 123.60 3m5p h GLU 481 Ca 0.06 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 3m5p h GLU 481 Cb 0.91 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3m5p h GLU 481 CO 0.08 0.38 -0.93 0.45 -1.00 0.00 0.00 179.01 177.99 3m5p h HIS 482 N 0.59 0.45 -0.36 4.33 3.86 -1.11 -2.32 115.15 120.58 3m5p h HIS 482 Ca 0.38 -0.25 0.06 0.00 -1.16 0.00 0.00 60.37 59.40 3m5p h HIS 482 Cb 0.45 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 3m5p h HIS 482 CO -0.11 1.07 -0.00 -0.22 0.86 0.00 0.00 177.93 179.53 3m5p h LYS 483 N 0.16 0.09 -0.56 2.45 3.64 -0.85 -0.55 116.57 120.96 3m5p h LYS 483 Ca -0.07 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3m5p h LYS 483 Cb 1.57 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.34 3m5p h LYS 483 CO 0.15 0.06 0.37 0.82 -2.27 0.00 0.00 179.45 178.58 3m5p h ILE 484 N 0.10 1.14 -0.14 2.00 2.04 -1.15 -0.72 117.51 120.79 3m5p h ILE 484 Ca 0.18 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3m5p h ILE 484 Cb 0.24 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3m5p h ILE 484 CO -0.30 0.14 -0.03 0.15 0.00 0.00 0.00 178.15 178.12 3m5p h PHE 485 N 0.75 -0.06 -0.57 1.37 3.57 -1.02 -1.53 116.94 119.45 3m5p h PHE 485 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3m5p h PHE 485 Cb -0.08 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3m5p h PHE 485 CO -0.04 -0.05 0.25 0.28 -2.23 0.00 0.00 178.31 176.52 3m5p h VAL 486 N 0.01 1.22 -0.46 1.41 2.07 -0.71 -1.49 116.25 118.31 3m5p h VAL 486 Ca 0.06 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3m5p h VAL 486 Cb 0.09 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3m5p h VAL 486 CO -0.13 0.25 0.25 1.56 0.02 0.00 0.00 177.57 179.52 3m5p h GLN 487 N 0.77 0.49 -0.54 1.57 4.20 -0.94 -0.86 115.11 119.80 3m5p h GLN 487 Ca 0.19 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 3m5p h GLN 487 Cb 0.16 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3m5p h GLN 487 CO -0.02 0.32 0.11 0.78 -0.67 0.00 0.00 178.83 179.36 3m5p h GLY 488 N 0.50 0.91 0.81 3.46 0.00 -0.79 -1.93 103.07 106.04 3m5p h GLY 488 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3m5p h GLY 488 CO -0.11 0.51 0.03 -2.08 0.00 0.00 0.00 176.54 174.89 3m5p h VAL 489 N 0.81 1.19 -0.35 4.60 2.07 -0.91 -0.62 116.25 123.05 3m5p h VAL 489 Ca 0.17 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3m5p h VAL 489 Cb 0.33 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3m5p h VAL 489 CO 0.00 0.17 0.13 -0.07 0.02 0.00 0.00 177.57 177.83 3m5p h LEU 490 N -0.04 0.45 -0.10 2.57 3.38 -0.97 -1.54 115.31 119.06 3m5p h LEU 490 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3m5p h LEU 490 Cb 0.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3m5p h LEU 490 CO 0.00 0.42 -0.05 0.79 0.09 0.00 0.00 178.44 179.69 3m5p n TRP 491 N -4.39 0.00 -3.53 1.13 8.01 -0.74 -4.15 117.44 113.77 3m5p n TRP 491 Ca 0.02 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.97 3m5p n TRP 491 Cb 0.15 -0.21 0.07 0.00 -2.01 0.00 0.00 31.31 29.31 3m5p n TRP 491 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3m5p n ASP 492 N -1.11 -6.27 -4.74 -0.99 2.03 -0.33 -4.89 116.55 100.25 3m5p n ASP 492 Ca 0.15 -0.51 -0.24 0.00 0.52 0.00 0.00 54.79 54.71 3m5p n ASP 492 Cb 0.24 -4.95 -0.07 0.00 -0.72 0.00 0.00 41.12 35.62 3m5p n ASP 492 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3m5p s ILE 493 N -3.30 2.53 -0.53 5.18 -4.36 -0.65 -1.20 121.20 118.87 3m5p s ILE 493 Ca 0.55 -1.68 -0.19 0.00 -0.26 0.00 0.00 60.65 59.07 3m5p s ILE 493 Cb -0.24 -2.98 0.07 0.00 1.25 0.00 0.00 42.46 40.56 3m5p s ILE 493 CO 0.68 -0.06 0.64 0.21 0.24 0.00 0.00 174.94 176.65 3m5p s ASN 494 N -3.90 6.21 0.00 4.36 2.47 -1.26 -4.53 114.94 118.28 3m5p s ASN 494 Ca 0.41 -1.09 0.16 0.00 0.42 0.00 0.00 52.86 52.76 3m5p s ASN 494 Cb 0.01 -2.29 0.79 0.00 -1.45 0.00 0.00 41.25 38.32 3m5p s ASN 494 CO 0.23 -0.95 1.48 -1.20 -3.72 0.00 0.00 177.10 172.94 3m5p n SER 495 N 6.18 0.00 -0.19 -4.21 7.64 -1.26 -4.04 113.62 117.74 3m5p n SER 495 Ca -0.08 0.13 0.03 0.00 1.01 0.00 0.00 58.87 59.96 3m5p n SER 495 Cb 0.44 -0.32 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 3m5p n SER 495 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3m5p n TYR 496 N -1.32 0.00 -3.21 1.43 4.01 -1.26 -4.31 117.16 112.49 3m5p n TYR 496 Ca 0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.61 3m5p n TYR 496 Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.20 3m5p n TYR 496 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3m5p s ASP 497 N -0.52 5.17 -0.47 7.72 1.47 -1.26 -4.99 116.67 123.79 3m5p s ASP 497 Ca 0.06 -0.79 0.06 0.00 1.18 0.00 0.00 52.55 53.06 3m5p s ASP 497 Cb 0.04 -0.02 0.29 0.00 -0.34 0.00 0.00 42.92 42.89 3m5p s ASP 497 CO 0.08 -1.08 1.01 0.00 0.68 0.00 0.00 175.17 175.85 3m5p n GLN 498 N -2.00 0.93 0.25 2.11 0.00 -1.26 -4.76 117.38 112.65 3m5p n GLN 498 Ca 0.10 -1.94 0.16 0.00 0.00 0.00 0.00 57.00 55.32 3m5p n GLN 498 Cb 0.61 -1.21 0.52 0.00 0.00 0.00 0.00 30.24 30.16 3m5p n GLN 498 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3m5p h TRP 499 N 3.38 0.00 0.00 2.61 4.06 -1.98 -3.26 115.95 120.76 3m5p h TRP 499 Ca -0.11 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 3m5p h TRP 499 Cb 1.07 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3m5p h TRP 499 CO 0.22 0.00 -0.02 0.78 -3.56 0.00 0.00 178.44 175.86 3m5p h GLY 500 N 2.68 0.00 1.77 1.49 0.00 -1.95 -2.43 103.07 104.63 3m5p h GLY 500 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m5p h GLY 500 CO 0.00 0.00 -0.16 3.33 0.00 0.00 0.00 176.54 179.71 3m5p n VAL 501 N -3.19 0.45 -0.29 4.60 0.24 -1.23 -4.19 118.33 114.72 3m5p n VAL 501 Ca -0.01 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.34 62.00 3m5p n VAL 501 Cb 0.20 -0.44 0.07 0.00 -1.47 0.00 0.00 33.84 32.20 3m5p n VAL 501 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3m5p h GLU 502 N 0.00 1.12 -0.35 7.34 5.08 -1.67 -3.19 114.58 122.90 3m5p h GLU 502 Ca 0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3m5p h GLU 502 Cb 0.70 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3m5p h GLU 502 CO 0.00 0.85 0.16 1.25 -1.00 0.00 0.00 179.01 180.27 3m5p h LEU 503 N 1.10 0.46 -1.41 1.33 5.85 -1.79 -2.42 115.31 118.43 3m5p h LEU 503 Ca 0.27 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3m5p h LEU 503 Cb 0.08 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3m5p h LEU 503 CO -0.04 0.47 0.47 1.23 -0.34 0.00 0.00 178.44 180.23 3m5p h GLY 504 N 0.42 0.91 0.86 3.75 0.00 -1.82 0.48 103.07 107.68 3m5p h GLY 504 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3m5p h GLY 504 CO -0.01 0.19 0.03 0.50 0.00 0.00 0.00 176.54 177.25 3m5p h LYS 505 N 0.69 0.42 -0.35 4.80 1.57 -1.46 -0.58 116.57 121.66 3m5p h LYS 505 Ca 0.32 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3m5p h LYS 505 Cb 0.34 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3m5p h LYS 505 CO -0.11 0.56 0.14 -0.22 -0.57 0.00 0.00 179.45 179.25 3m5p h LYS 506 N 0.22 0.53 -0.05 3.15 3.64 -0.94 -2.66 116.57 120.47 3m5p h LYS 506 Ca 0.07 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3m5p h LYS 506 Cb 0.35 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3m5p h LYS 506 CO 0.01 0.53 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.37 3m5p h LEU 507 N 0.43 0.08 -0.75 5.20 3.38 -0.85 -2.61 115.31 120.18 3m5p h LEU 507 Ca 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3m5p h LEU 507 Cb 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3m5p h LEU 507 CO -0.01 0.36 0.19 1.23 0.09 0.00 0.00 178.44 180.30 3m5p h GLY 508 N 0.90 1.22 1.03 0.83 0.00 -0.89 -0.08 103.07 106.08 3m5p h GLY 508 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 3m5p h GLY 508 CO 0.04 0.70 0.07 0.50 0.00 0.00 0.00 176.54 177.84 3m5p h LYS 509 N 1.08 0.98 -0.57 4.80 1.57 -1.13 -1.25 116.57 122.05 3m5p h LYS 509 Ca 0.23 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3m5p h LYS 509 Cb 0.35 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3m5p h LYS 509 CO -0.00 0.94 0.05 -0.91 -0.57 0.00 0.00 179.45 178.96 3m5p h ASN 510 N 0.87 0.94 -0.49 0.86 2.35 -1.18 -2.01 115.58 116.92 3m5p h ASN 510 Ca 0.17 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3m5p h ASN 510 Cb 0.45 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3m5p h ASN 510 CO 0.02 0.99 0.04 0.40 -1.65 0.00 0.00 177.43 177.23 3m5p h ILE 511 N 0.86 1.25 -0.59 2.81 2.04 -0.83 -1.30 117.51 121.74 3m5p h ILE 511 Ca 0.17 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3m5p h ILE 511 Cb 0.48 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3m5p h ILE 511 CO 0.02 0.36 0.31 -0.07 0.00 0.00 0.00 178.15 178.77 3m5p h LEU 512 N 0.84 0.76 -0.66 1.44 3.38 -0.96 -2.17 115.31 117.94 3m5p h LEU 512 Ca 0.17 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3m5p h LEU 512 Cb 0.43 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3m5p h LEU 512 CO 0.02 0.65 0.42 0.11 0.09 0.00 0.00 178.44 179.72 3m5p h LYS 513 N 0.80 0.80 -1.78 1.13 1.57 -1.10 -2.38 116.57 115.62 3m5p h LYS 513 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3m5p h LYS 513 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3m5p h LYS 513 CO -0.03 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 3m5p n ALA 514 N -2.30 1.77 0.00 3.86 0.00 -0.51 -2.03 120.51 121.30 3m5p n ALA 514 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3m5p n ALA 514 Cb 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3m5p n ALA 514 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m5p n ASN 516 N 0.97 0.00 -3.17 0.00 3.02 -0.90 -3.65 115.26 111.53 3m5p n ASN 516 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 3m5p n ASN 516 Cb 0.12 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3m5p n ASN 516 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m5p s ASP 517 N 0.00 -1.56 0.00 6.41 3.68 -0.86 -5.01 116.67 119.32 3m5p s ASP 517 Ca 0.00 -0.16 0.17 0.00 2.13 0.00 0.00 52.55 54.69 3m5p s ASP 517 Cb 0.00 1.98 0.88 0.00 -1.45 0.00 0.00 42.92 44.33 3m5p s ASP 517 CO 0.00 -0.25 1.49 -0.90 0.13 0.00 0.00 175.17 175.64 3m5p n ASP 518 N 5.04 0.00 -0.94 -0.34 5.68 -1.24 -1.56 116.55 123.19 3m5p n ASP 518 Ca 0.07 -0.06 0.10 0.00 -0.50 0.00 0.00 54.79 54.40 3m5p n ASP 518 Cb 0.55 -0.24 0.26 0.00 -1.14 0.00 0.00 41.12 40.56 3m5p n ASP 518 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3m5p n SER 519 N -1.24 2.76 -4.86 -1.12 3.41 -1.26 -4.69 113.62 106.62 3m5p n SER 519 Ca 0.09 -1.93 -0.31 0.00 -0.26 0.00 0.00 58.87 56.45 3m5p n SER 519 Cb 0.12 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3m5p n SER 519 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3m5p s SER 520 N -1.25 6.39 0.24 4.04 1.04 -0.60 -4.96 113.70 118.60 3m5p s SER 520 Ca 0.36 1.42 -0.07 0.00 0.48 0.00 0.00 55.95 58.14 3m5p s SER 520 Cb 0.19 -2.46 0.26 0.00 0.10 0.00 0.00 66.02 64.12 3m5p s SER 520 CO 0.27 -0.72 1.89 0.44 0.98 0.00 0.00 173.24 176.11 3m5p h ASP 521 N 0.27 0.99 -0.52 7.02 3.32 -1.94 -2.25 116.42 123.32 3m5p h ASP 521 Ca -0.45 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.69 3m5p h ASP 521 Cb 1.19 -0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 3m5p h ASP 521 CO 0.62 0.70 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.43 3m5p h GLU 522 N 1.17 0.04 -0.31 3.56 3.07 -1.91 -0.80 114.58 119.40 3m5p h GLU 522 Ca 0.35 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 3m5p h GLU 522 Cb -0.04 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3m5p h GLU 522 CO -0.10 0.03 0.05 -0.92 -1.40 0.00 0.00 179.01 176.67 3m5p h TYR 523 N 0.04 0.54 -0.06 4.33 3.20 -1.73 -2.87 116.97 120.42 3m5p h TYR 523 Ca 0.26 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 3m5p h TYR 523 Cb 0.40 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3m5p h TYR 523 CO -0.39 0.59 -0.09 0.37 -1.64 0.00 0.00 178.16 177.00 3m5p h GLN 524 N 0.33 0.09 -0.00 1.82 4.15 -1.09 -2.76 115.11 117.65 3m5p h GLN 524 Ca 0.09 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3m5p h GLN 524 Cb 0.34 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3m5p h GLN 524 CO 0.01 0.19 -0.23 0.09 -1.93 0.00 0.00 178.83 176.95 3m5p n ASN 525 N -4.38 0.35 -4.73 -0.69 3.02 -0.33 -4.93 115.26 103.57 3m5p n ASN 525 Ca -0.02 -0.10 -0.38 0.00 -0.03 0.00 0.00 54.58 54.05 3m5p n ASN 525 Cb 0.19 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.34 3m5p n ASN 525 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3m5p n LEU 526 N -1.34 5.75 -4.73 3.41 4.77 -1.04 -5.01 117.00 118.81 3m5p n LEU 526 Ca 0.08 0.89 -0.32 0.00 -0.03 0.00 0.00 56.01 56.63 3m5p n LEU 526 Cb 0.32 -1.56 0.11 0.00 -2.33 0.00 0.00 43.42 39.97 3m5p n LEU 526 CO 0.29 -0.86 0.71 1.51 -1.33 0.00 0.00 177.39 177.72 3m5p s ASP 527 N -1.18 3.97 0.41 -1.43 -4.77 -1.26 -4.88 116.67 107.53 3m5p s ASP 527 Ca 0.78 2.06 0.27 0.00 -3.30 0.00 0.00 52.55 52.36 3m5p s ASP 527 Cb -0.40 -2.55 0.83 0.00 -1.09 0.00 0.00 42.92 39.71 3m5p s ASP 527 CO 0.44 -2.40 1.77 -0.78 0.70 0.00 0.00 175.17 174.90 3m5p h ASP 528 N -1.12 0.00 -0.04 2.11 3.58 -1.98 -2.16 116.42 116.81 3m5p h ASP 528 Ca -0.44 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 3m5p h ASP 528 Cb 1.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 3m5p h ASP 528 CO 0.48 0.00 -0.04 -1.28 -2.88 0.00 0.00 179.24 175.52 3m5p h SER 529 N 0.00 0.10 -0.50 2.28 0.87 -1.99 -0.83 113.55 113.48 3m5p h SER 529 Ca 0.00 -0.49 0.03 0.00 -1.23 0.00 0.00 61.79 60.10 3m5p h SER 529 Cb 0.72 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 3m5p h SER 529 CO 0.00 0.57 0.29 0.74 -0.53 0.00 0.00 176.83 177.90 3m5p h THR 530 N -0.37 1.03 -0.43 2.23 2.02 -1.92 -1.17 112.91 114.31 3m5p h THR 530 Ca 0.01 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.03 3m5p h THR 530 Cb 0.54 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3m5p h THR 530 CO 0.01 0.10 0.21 -0.09 0.37 0.00 0.00 175.52 176.12 3m5p h ARG 531 N 0.57 0.41 0.00 6.66 2.43 -1.31 -1.63 114.38 121.51 3m5p h ARG 531 Ca 0.21 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3m5p h ARG 531 Cb 0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3m5p h ARG 531 CO -0.11 0.27 -0.43 1.96 -1.51 0.00 0.00 179.97 180.15 3m5p h GLN 532 N 0.42 0.00 -0.40 0.20 1.08 -0.74 -1.46 115.11 114.22 3m5p h GLN 532 Ca 0.19 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 3m5p h GLN 532 Cb 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3m5p h GLN 532 CO -0.14 0.43 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.07 3m5p h LEU 533 N 0.00 0.72 -0.66 1.46 3.38 -0.86 -0.63 115.31 118.73 3m5p h LEU 533 Ca -0.00 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3m5p h LEU 533 Cb 0.98 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3m5p h LEU 533 CO 0.06 0.88 0.33 0.40 0.09 0.00 0.00 178.44 180.19 3m5p h ILE 534 N 0.55 1.22 -0.69 1.22 2.04 -1.03 -2.32 117.51 118.49 3m5p h ILE 534 Ca 0.11 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3m5p h ILE 534 Cb 0.52 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3m5p h ILE 534 CO 0.03 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.66 3m5p h ALA 535 N 1.15 1.11 -0.19 1.87 0.00 -1.05 -2.31 119.26 119.85 3m5p h ALA 535 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3m5p h ALA 535 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m5p h ALA 535 CO -0.03 0.62 -0.26 0.87 0.00 0.00 0.00 179.25 180.44 3m5p h LYS 536 N 1.02 0.35 -0.32 0.00 1.79 -0.85 -2.55 116.57 116.01 3m5p h LYS 536 Ca 0.23 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.43 3m5p h LYS 536 Cb 0.26 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3m5p h LYS 536 CO -0.01 0.59 -0.34 0.28 -1.08 0.00 0.00 179.45 178.89 3m5p h VAL 537 N 0.31 1.29 0.00 0.50 2.07 -1.16 -3.08 116.25 116.18 3m5p h VAL 537 Ca 0.05 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 3m5p h VAL 537 Cb 0.63 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3m5p h VAL 537 CO 0.05 0.50 -0.14 0.11 0.02 0.00 0.00 177.57 178.10 3m5p h LYS 538 N 0.58 0.00 0.02 1.57 1.79 -1.20 -3.29 116.57 116.04 3m5p h LYS 538 Ca 0.05 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.27 3m5p h LYS 538 Cb 0.93 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 3m5p h LYS 538 CO 0.08 0.14 -1.38 -0.91 -1.08 0.00 0.00 179.45 176.31 3m5p h ASN 539 N 0.00 0.06 0.00 0.86 -0.26 -1.48 -3.51 115.58 111.24 3m5p h ASN 539 Ca -0.00 -0.57 0.00 0.00 -0.56 0.00 0.00 56.30 55.17 3m5p h ASN 539 Cb 0.33 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3m5p h ASN 539 CO 0.02 1.55 0.00 1.17 -1.06 0.00 0.00 177.43 179.11