#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0e n GLY 2 N 0.00 3.69 0.00 0.00 0.00 0.24 -4.90 105.19 104.22 1j0e n GLY 2 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.69 1j0e n GLY 2 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j0e n VAL 3 N 0.00 0.00 0.28 1.61 3.14 -1.26 -4.25 118.33 117.84 1j0e n VAL 3 Ca 0.00 -0.07 0.13 0.00 -2.96 0.00 0.00 64.34 61.44 1j0e n VAL 3 Cb 0.00 0.86 0.80 0.00 -1.06 0.00 0.00 33.84 34.44 1j0e n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1j0e h ALA 4 N 2.82 1.46 0.00 1.55 0.00 -1.98 -1.90 119.26 121.21 1j0e h ALA 4 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j0e h ALA 4 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j0e h ALA 4 CO 0.00 0.08 0.00 0.36 0.00 0.00 0.00 179.25 179.69 1j0e n LYS 5 N -3.83 0.10 -3.91 0.00 2.85 -1.26 -4.71 118.16 107.40 1j0e n LYS 5 Ca -0.02 0.34 -0.37 0.00 -1.05 0.00 0.00 58.31 57.20 1j0e n LYS 5 Cb 0.15 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 32.77 1j0e n LYS 5 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1j0e s PHE 6 N -3.16 3.53 0.39 5.58 0.40 -0.72 -5.07 117.98 118.94 1j0e s PHE 6 Ca 0.06 0.47 -0.27 0.00 -0.60 0.00 0.00 56.93 56.58 1j0e s PHE 6 Cb 0.10 -1.95 -0.10 0.00 0.51 0.00 0.00 43.02 41.58 1j0e s PHE 6 CO 0.34 0.66 1.39 0.00 0.70 0.00 0.00 175.22 178.30 1j0e s ALA 7 N -0.84 3.41 -0.06 5.36 0.00 -1.26 -5.02 121.76 123.35 1j0e s ALA 7 Ca 0.14 1.41 -0.00 0.00 0.00 0.00 0.00 51.96 53.50 1j0e s ALA 7 Cb -0.12 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1j0e s ALA 7 CO 0.03 -0.94 -0.02 0.21 0.00 0.00 0.00 175.76 175.03 1j0e s LYS 8 N -2.14 0.77 -0.25 0.00 2.20 -1.26 -4.53 119.74 114.53 1j0e s LYS 8 Ca 0.55 -0.01 -0.09 0.00 -0.36 0.00 0.00 55.97 56.05 1j0e s LYS 8 Cb -0.42 -0.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 1j0e s LYS 8 CO 0.56 -0.20 0.13 -0.47 -0.36 0.00 0.00 175.35 175.01 1j0e s TYR 9 N 1.49 3.21 0.17 4.03 6.14 0.72 -5.00 117.35 128.11 1j0e s TYR 9 Ca -0.02 0.00 -0.32 0.00 0.64 0.00 0.00 57.07 57.38 1j0e s TYR 9 Cb -0.13 -2.27 -0.10 0.00 0.42 0.00 0.00 41.96 39.88 1j0e s TYR 9 CO -0.03 -0.11 1.59 -1.25 0.64 0.00 0.00 175.55 176.39 1j0e s PRO 10 N 1.33 4.20 0.00 4.97 0.04 -1.26 -4.38 135.00 139.91 1j0e s PRO 10 Ca 0.06 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1j0e s PRO 10 Cb -0.15 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1j0e s PRO 10 CO 0.06 -0.63 0.15 1.28 0.04 0.00 0.00 177.00 177.90 1j0e n LEU 11 N 4.03 0.26 -4.61 -3.56 4.77 -1.26 -5.07 117.00 111.56 1j0e n LEU 11 Ca 0.14 -0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.58 1j0e n LEU 11 Cb 0.38 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1j0e n LEU 11 CO 0.62 0.06 -0.22 0.42 -1.33 0.00 0.00 177.39 176.94 1j0e s THR 12 N -0.01 0.86 -1.65 -5.08 -4.23 -1.26 -4.66 115.64 99.61 1j0e s THR 12 Ca 0.00 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1j0e s THR 12 Cb 0.00 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.86 1j0e s THR 12 CO 0.00 0.00 1.69 0.49 -0.54 0.00 0.00 174.62 176.26 1j0e n PHE 13 N -1.04 0.00 0.00 3.99 3.72 0.04 -4.98 117.46 119.20 1j0e n PHE 13 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1j0e n PHE 13 Cb 0.66 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1j0e n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0e n GLY 14 N 1.33 0.62 3.66 1.37 0.00 -1.26 -5.04 105.19 105.87 1j0e n GLY 14 Ca 0.13 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1j0e n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1j0e s PRO 15 N -1.05 4.12 0.25 1.61 0.02 -1.26 -4.91 135.00 133.78 1j0e s PRO 15 Ca 0.00 2.48 -0.31 0.00 0.02 0.00 0.00 61.00 63.19 1j0e s PRO 15 Cb 0.00 -4.12 -0.12 0.00 0.02 0.00 0.00 34.50 30.27 1j0e s PRO 15 CO 0.00 -0.96 1.58 -1.13 -0.33 0.00 0.00 177.00 176.16 1j0e n SER 16 N 7.56 3.55 -4.70 2.53 3.41 -1.26 -4.95 113.62 119.76 1j0e n SER 16 Ca 0.19 1.12 -0.30 0.00 -0.26 0.00 0.00 58.87 59.62 1j0e n SER 16 Cb 0.42 -1.53 0.14 0.00 -0.26 0.00 0.00 64.21 62.98 1j0e n SER 16 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1j0e s PRO 17 N 0.02 1.25 -0.20 4.33 0.04 -1.26 -4.63 135.00 134.55 1j0e s PRO 17 Ca 0.69 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1j0e s PRO 17 Cb -0.55 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1j0e s PRO 17 CO 0.44 -2.33 -0.17 0.42 0.04 0.00 0.00 177.00 175.40 1j0e s ILE 18 N -2.79 2.20 0.10 0.56 1.01 -1.26 0.14 121.20 121.15 1j0e s ILE 18 Ca 0.64 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 1j0e s ILE 18 Cb -0.20 -2.00 -0.07 0.00 0.01 0.00 0.00 42.46 40.20 1j0e s ILE 18 CO 0.58 0.42 0.58 -0.44 0.00 0.00 0.00 174.94 176.08 1j0e s SER 19 N 1.27 7.05 -0.60 3.58 0.01 0.93 -4.87 113.70 121.07 1j0e s SER 19 Ca 0.02 1.26 -0.18 0.00 1.31 0.00 0.00 55.95 58.37 1j0e s SER 19 Cb -0.14 -2.36 0.12 0.00 0.21 0.00 0.00 66.02 63.85 1j0e s SER 19 CO -0.11 0.24 0.65 0.21 0.41 0.00 0.00 173.24 174.64 1j0e s ASN 20 N -1.23 6.23 -1.53 2.44 3.04 -1.26 -0.66 114.94 121.98 1j0e s ASN 20 Ca 0.31 -1.66 -0.09 0.00 0.04 0.00 0.00 52.86 51.46 1j0e s ASN 20 Cb -0.19 -2.27 -0.02 0.00 -1.54 0.00 0.00 41.25 37.23 1j0e s ASN 20 CO 0.19 -0.99 2.73 0.18 -3.04 0.00 0.00 177.10 176.17 1j0e n LEU 21 N 5.81 8.36 0.05 3.21 4.77 -0.74 -4.70 117.00 133.76 1j0e n LEU 21 Ca -0.09 -4.47 -0.01 0.00 -0.03 0.00 0.00 56.01 51.41 1j0e n LEU 21 Cb 0.42 -1.52 0.28 0.00 -2.33 0.00 0.00 43.42 40.27 1j0e n LEU 21 CO 0.55 1.95 0.83 -0.55 -1.33 0.00 0.00 177.39 178.84 1j0e h ASN 22 N 5.04 0.39 -0.25 -1.43 -1.07 -1.93 -1.61 115.58 114.71 1j0e h ASN 22 Ca 0.79 -0.10 -0.16 0.00 0.07 0.00 0.00 56.30 56.90 1j0e h ASN 22 Cb 0.33 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.47 1j0e h ASN 22 CO 1.72 0.57 -0.45 0.03 0.07 0.00 0.00 177.43 179.37 1j0e h ARG 23 N 0.37 0.81 -0.33 4.14 3.08 -1.87 -1.36 114.38 119.22 1j0e h ARG 23 Ca 0.07 -0.46 -0.08 0.00 0.07 0.00 0.00 59.98 59.58 1j0e h ARG 23 Cb 0.50 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1j0e h ARG 23 CO 0.03 1.09 -0.14 1.25 -1.07 0.00 0.00 179.97 181.14 1j0e h LEU 24 N 0.65 0.56 0.00 3.04 5.85 -1.75 -1.68 115.31 121.98 1j0e h LEU 24 Ca 0.04 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1j0e h LEU 24 Cb 1.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1j0e h LEU 24 CO 0.10 0.73 -0.00 0.28 -0.34 0.00 0.00 178.44 179.20 1j0e h SER 25 N 0.52 -0.00 -0.17 1.25 0.02 -0.89 -1.45 113.55 112.83 1j0e h SER 25 Ca 0.09 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1j0e h SER 25 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1j0e h SER 25 CO 0.03 0.11 0.09 1.56 -1.14 0.00 0.00 176.83 177.49 1j0e h GLN 26 N -0.12 0.24 -0.73 3.45 4.20 -1.17 -0.16 115.11 120.82 1j0e h GLN 26 Ca -0.00 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.82 1j0e h GLN 26 Cb 0.12 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.76 1j0e h GLN 26 CO 0.00 0.25 0.25 1.25 -0.67 0.00 0.00 178.83 179.91 1j0e h HIS 27 N 0.17 0.42 0.00 2.96 2.76 -1.21 0.19 115.15 120.45 1j0e h HIS 27 Ca 0.06 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1j0e h HIS 27 Cb 0.08 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1j0e h HIS 27 CO -0.04 0.02 0.00 1.28 -1.30 0.00 0.00 177.93 177.89 1j0e n LEU 28 N -5.05 0.78 0.00 0.26 4.77 -0.55 -4.81 117.00 112.40 1j0e n LEU 28 Ca 0.14 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1j0e n LEU 28 Cb 0.42 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1j0e n LEU 28 CO 0.17 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1j0e n GLY 29 N 0.10 0.74 3.92 -0.72 0.00 0.67 -4.43 105.19 105.47 1j0e n GLY 29 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1j0e n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0e n SER 30 N 0.00 -4.52 0.00 1.61 7.64 -0.10 -4.86 113.62 113.39 1j0e n SER 30 Ca 0.00 -0.79 0.11 0.00 1.01 0.00 0.00 58.87 59.19 1j0e n SER 30 Cb 0.00 -3.85 -0.10 0.00 -1.01 0.00 0.00 64.21 59.25 1j0e n SER 30 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j0e n LYS 31 N -4.66 0.33 -3.82 1.43 5.02 -1.26 -4.80 118.16 110.40 1j0e n LYS 31 Ca 0.02 -0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 1j0e n LYS 31 Cb 0.53 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1j0e n LYS 31 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j0e s VAL 32 N -3.25 0.03 -0.35 -0.18 -7.23 -1.26 -2.11 120.40 106.05 1j0e s VAL 32 Ca 0.01 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.13 1j0e s VAL 32 Cb 0.15 -1.71 0.05 0.00 0.56 0.00 0.00 36.38 35.44 1j0e s VAL 32 CO 0.87 -0.15 0.12 0.20 -0.31 0.00 0.00 175.10 175.82 1j0e s ASN 33 N -2.91 5.27 0.07 4.85 0.01 0.18 -4.81 114.94 117.60 1j0e s ASN 33 Ca 0.12 -1.31 -0.24 0.00 -0.71 0.00 0.00 52.86 50.72 1j0e s ASN 33 Cb 0.00 -1.85 -0.06 0.00 0.41 0.00 0.00 41.25 39.75 1j0e s ASN 33 CO -0.01 -0.37 0.72 -0.69 -1.51 0.00 0.00 177.10 175.25 1j0e s VAL 34 N 1.35 4.67 0.09 1.60 1.01 -1.26 -0.79 120.40 127.07 1j0e s VAL 34 Ca -0.01 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1j0e s VAL 34 Cb -0.20 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1j0e s VAL 34 CO 0.01 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.15 1j0e s TYR 35 N -0.46 0.95 -0.06 5.22 1.51 -0.13 -1.78 117.35 122.60 1j0e s TYR 35 Ca 0.36 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1j0e s TYR 35 Cb -0.21 -0.53 0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1j0e s TYR 35 CO 0.22 -0.07 0.02 0.00 -1.11 0.00 0.00 175.55 174.62 1j0e s ALA 36 N -2.82 0.53 -0.30 3.71 0.00 0.17 0.08 121.76 123.13 1j0e s ALA 36 Ca 0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 1j0e s ALA 36 Cb -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1j0e s ALA 36 CO -0.02 -0.44 0.94 0.21 0.00 0.00 0.00 175.76 176.46 1j0e s LYS 37 N 1.96 4.05 -1.30 0.00 2.20 -0.23 -0.05 119.74 126.38 1j0e s LYS 37 Ca 0.04 0.90 -0.15 0.00 -0.36 0.00 0.00 55.97 56.40 1j0e s LYS 37 Cb -0.12 -3.72 0.10 0.00 -1.51 0.00 0.00 37.83 32.58 1j0e s LYS 37 CO -0.04 -0.76 1.76 0.54 -0.36 0.00 0.00 175.35 176.48 1j0e n ARG 38 N 6.49 3.23 0.21 4.03 5.12 0.12 -2.18 116.66 133.68 1j0e n ARG 38 Ca 0.08 -3.34 0.15 0.00 -1.93 0.00 0.00 57.85 52.81 1j0e n ARG 38 Cb 0.47 -3.29 0.52 0.00 -1.16 0.00 0.00 32.46 29.01 1j0e n ARG 38 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1j0e h GLU 39 N 7.01 0.00 0.00 5.56 4.39 -1.69 -2.58 114.58 127.28 1j0e h GLU 39 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1j0e h GLU 39 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1j0e h GLU 39 CO 1.49 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.94 1j0e n ASP 40 N -2.76 0.64 -2.04 1.42 5.75 -0.90 -3.30 116.55 115.36 1j0e n ASP 40 Ca 0.02 0.60 -0.24 0.00 -0.01 0.00 0.00 54.79 55.16 1j0e n ASP 40 Cb 0.33 -0.76 0.02 0.00 -1.03 0.00 0.00 41.12 39.68 1j0e n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j0e n ASN 42 N -0.70 0.32 -3.94 0.00 6.94 -1.21 -4.86 115.26 111.82 1j0e n ASN 42 Ca 0.44 0.14 -0.09 0.00 -0.02 0.00 0.00 54.58 55.05 1j0e n ASN 42 Cb 0.95 1.02 -0.09 0.00 -2.36 0.00 0.00 39.78 39.30 1j0e n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j0e s SER 43 N -5.26 0.22 0.00 0.53 0.15 -1.26 -0.78 113.70 107.29 1j0e s SER 43 Ca -0.07 -0.64 0.15 0.00 0.70 0.00 0.00 55.95 56.10 1j0e s SER 43 Cb 0.10 0.25 0.65 0.00 -1.71 0.00 0.00 66.02 65.31 1j0e s SER 43 CO 0.85 -0.58 1.46 0.61 1.20 0.00 0.00 173.24 176.78 1j0e n GLY 44 N 0.45 -0.15 3.44 9.45 0.00 -1.26 -4.03 105.19 113.08 1j0e n GLY 44 Ca -0.17 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 1j0e n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j0e s LEU 45 N -1.38 4.72 -1.50 0.99 1.43 -1.26 -4.60 118.68 117.08 1j0e s LEU 45 Ca 0.25 -1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.03 1j0e s LEU 45 Cb 0.13 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1j0e s LEU 45 CO 0.19 -1.30 0.27 0.00 0.23 0.00 0.00 176.35 175.74 1j0e n ALA 46 N 7.20 -1.95 0.00 4.21 0.00 -1.26 -0.87 120.51 127.84 1j0e n ALA 46 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1j0e n ALA 46 Cb 0.46 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1j0e n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j0e n PHE 47 N -4.47 0.00 -4.74 0.00 3.72 -1.26 -4.93 117.46 105.78 1j0e n PHE 47 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1j0e n PHE 47 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1j0e n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0e n GLY 48 N -2.00 -0.83 0.00 1.37 0.00 -0.05 -4.69 105.19 98.98 1j0e n GLY 48 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1j0e n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0e n GLY 49 N 0.00 -0.38 0.28 -0.02 0.00 -1.22 -4.74 105.19 99.12 1j0e n GLY 49 Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.39 1j0e n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1j0e h ASN 50 N 0.00 0.00 -0.79 1.61 -1.07 -1.55 -2.68 115.58 111.11 1j0e h ASN 50 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1j0e h ASN 50 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 1j0e h ASN 50 CO 0.00 0.00 0.43 0.11 0.07 0.00 0.00 177.43 178.04 1j0e h LYS 51 N 0.00 1.12 -0.58 4.14 1.79 -1.93 -2.50 116.57 118.61 1j0e h LYS 51 Ca 0.03 -0.13 0.07 0.00 -2.18 0.00 0.00 60.65 58.44 1j0e h LYS 51 Cb 0.14 -0.22 -0.06 0.00 -1.58 0.00 0.00 32.23 30.51 1j0e h LYS 51 CO -0.00 0.83 0.27 -0.07 -1.08 0.00 0.00 179.45 179.39 1j0e h LEU 52 N 1.12 0.34 -1.30 2.94 4.07 -1.85 0.41 115.31 121.04 1j0e h LEU 52 Ca 0.28 0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.35 1j0e h LEU 52 Cb 0.04 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1j0e h LEU 52 CO -0.04 0.22 0.51 -0.09 -1.08 0.00 0.00 178.44 177.95 1j0e h ARG 53 N 0.49 0.83 -0.28 1.13 2.43 -1.56 -1.49 114.38 115.94 1j0e h ARG 53 Ca 0.27 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1j0e h ARG 53 Cb 0.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1j0e h ARG 53 CO -0.23 0.55 -0.16 0.87 -1.51 0.00 0.00 179.97 179.50 1j0e h LYS 54 N 0.86 0.59 0.00 0.20 1.57 -1.01 -3.17 116.57 115.61 1j0e h LYS 54 Ca 0.33 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1j0e h LYS 54 Cb 0.20 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1j0e h LYS 54 CO -0.11 0.84 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.49 1j0e h LEU 55 N 0.33 0.00 -1.92 2.94 3.38 0.01 -2.77 115.31 117.28 1j0e h LEU 55 Ca 0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1j0e h LEU 55 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1j0e h LEU 55 CO 0.04 0.06 0.17 -0.33 0.09 0.00 0.00 178.44 178.48 1j0e h GLU 56 N 0.00 0.10 -0.19 1.13 5.08 -1.33 -0.57 114.58 118.79 1j0e h GLU 56 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j0e h GLU 56 Cb 0.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1j0e h GLU 56 CO 0.01 0.06 0.00 0.66 -1.00 0.00 0.00 179.01 178.74 1j0e n TYR 57 N -4.48 0.24 -0.01 4.33 4.01 -1.04 -0.20 117.16 120.00 1j0e n TYR 57 Ca 0.02 -0.12 0.02 0.00 -0.16 0.00 0.00 57.90 57.66 1j0e n TYR 57 Cb 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 1j0e n TYR 57 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1j0e n ILE 58 N 0.77 0.15 -0.25 -0.72 5.41 -0.34 -4.67 119.36 119.71 1j0e n ILE 58 Ca 0.17 -0.21 -0.07 0.00 1.00 0.00 0.00 62.75 63.64 1j0e n ILE 58 Cb 0.45 -0.02 0.04 0.00 -0.71 0.00 0.00 39.64 39.39 1j0e n ILE 58 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1j0e h VAL 59 N 0.00 1.26 -0.98 1.39 2.07 -1.39 -2.81 116.25 115.80 1j0e h VAL 59 Ca -0.06 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 66.66 1j0e h VAL 59 Cb 0.68 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1j0e h VAL 59 CO 0.00 0.35 0.62 -0.65 0.02 0.00 0.00 177.57 177.92 1j0e h PRO 60 N 1.02 0.96 0.00 1.57 0.11 -1.83 0.17 132.00 134.00 1j0e h PRO 60 Ca 0.22 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1j0e h PRO 60 Cb 0.33 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1j0e h PRO 60 CO -0.00 0.64 0.00 -3.47 -0.21 0.00 0.00 178.00 174.95 1j0e n ASP 61 N -4.58 0.45 -0.07 -2.05 2.03 -1.07 -0.84 116.55 110.42 1j0e n ASP 61 Ca 0.18 0.61 -0.19 0.00 0.52 0.00 0.00 54.79 55.90 1j0e n ASP 61 Cb 0.32 -0.70 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 1j0e n ASP 61 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1j0e n ILE 62 N -1.99 1.61 0.12 5.18 5.41 0.43 -3.44 119.36 126.67 1j0e n ILE 62 Ca 0.03 -0.62 -0.03 0.00 1.00 0.00 0.00 62.75 63.13 1j0e n ILE 62 Cb 0.22 -1.50 0.13 0.00 -0.71 0.00 0.00 39.64 37.78 1j0e n ILE 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1j0e h VAL 63 N 0.03 1.46 -0.05 1.39 2.07 -1.03 -3.22 116.25 116.89 1j0e h VAL 63 Ca -0.51 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 64.79 1j0e h VAL 63 Cb 1.97 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1j0e h VAL 63 CO -0.01 0.64 -0.00 -0.08 0.02 0.00 0.00 177.57 178.14 1j0e h GLU 64 N 0.04 0.10 0.00 1.57 4.81 -1.16 -3.45 114.58 116.48 1j0e h GLU 64 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1j0e h GLU 64 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1j0e h GLU 64 CO 0.09 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 1j0e n GLY 65 N -0.24 -0.77 3.14 1.92 0.00 -1.22 -5.04 105.19 102.98 1j0e n GLY 65 Ca -0.07 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1j0e n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0e s ASP 66 N -1.00 5.21 0.03 1.61 -1.08 -1.26 -4.95 116.67 115.22 1j0e s ASP 66 Ca 0.00 -1.84 0.04 0.00 -0.52 0.00 0.00 52.55 50.23 1j0e s ASP 66 Cb 0.00 -1.81 -0.02 0.00 -1.46 0.00 0.00 42.92 39.63 1j0e s ASP 66 CO 0.00 -0.48 -0.13 -0.31 0.52 0.00 0.00 175.17 174.77 1j0e s TYR 67 N 1.18 1.10 -0.14 -5.34 2.02 -1.26 -4.84 117.35 110.07 1j0e s TYR 67 Ca 0.05 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 1j0e s TYR 67 Cb -0.22 -0.66 -0.12 0.00 -0.40 0.00 0.00 41.96 40.55 1j0e s TYR 67 CO -0.03 0.01 -0.05 0.25 -1.57 0.00 0.00 175.55 174.16 1j0e n THR 68 N 2.10 0.85 -4.75 -0.71 -2.24 0.94 -4.96 114.28 105.51 1j0e n THR 68 Ca -0.17 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 1j0e n THR 68 Cb 0.55 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 1j0e n THR 68 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1j0e s HIS 69 N -2.30 1.49 -0.28 4.78 3.76 -0.97 -1.35 115.29 120.43 1j0e s HIS 69 Ca -0.13 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.30 1j0e s HIS 69 Cb 0.04 -0.99 -0.05 0.00 1.11 0.00 0.00 32.58 32.70 1j0e s HIS 69 CO 0.42 -0.09 0.23 -0.51 -0.85 0.00 0.00 174.74 173.94 1j0e s LEU 70 N -0.15 4.03 -0.17 0.89 1.43 -0.46 -0.04 118.68 124.22 1j0e s LEU 70 Ca 0.01 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1j0e s LEU 70 Cb -0.09 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 1j0e s LEU 70 CO 0.01 -0.08 -0.14 -0.69 0.23 0.00 0.00 176.35 175.68 1j0e s VAL 71 N 1.82 2.73 0.00 -1.59 1.01 -0.68 -1.84 120.40 121.85 1j0e s VAL 71 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1j0e s VAL 71 Cb -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1j0e s VAL 71 CO 0.11 0.50 0.00 -0.24 0.00 0.00 0.00 175.10 175.47 1j0e n SER 72 N 4.26 0.76 -3.49 3.32 2.88 -0.86 -0.55 113.62 119.95 1j0e n SER 72 Ca -0.19 -0.93 -0.09 0.00 -1.33 0.00 0.00 58.87 56.32 1j0e n SER 72 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1j0e n SER 72 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1j0e s ILE 73 N -1.53 0.00 -1.87 2.46 2.07 -1.25 -1.99 121.20 119.09 1j0e s ILE 73 Ca 0.00 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1j0e s ILE 73 Cb 0.00 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1j0e s ILE 73 CO 0.00 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1j0e n GLY 74 N -0.28 -0.86 3.97 1.50 0.00 -0.40 -4.28 105.19 104.83 1j0e n GLY 74 Ca -0.11 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1j0e n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0e s GLY 75 N 0.00 1.77 0.16 -0.02 0.00 -1.26 -0.30 107.32 107.67 1j0e s GLY 75 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 42.93 1j0e s GLY 75 CO 0.00 -0.89 1.63 3.21 0.00 0.00 0.00 173.10 177.04 1j0e h ARG 76 N -1.03 -0.21 -0.83 2.90 2.47 -1.79 -1.30 114.38 114.58 1j0e h ARG 76 Ca -0.39 0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.21 1j0e h ARG 76 Cb 1.25 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.54 1j0e h ARG 76 CO 0.37 -0.14 0.16 1.04 0.56 0.00 0.00 179.97 181.97 1j0e n GLN 77 N -5.38 2.91 -1.60 0.04 1.13 -1.26 -4.10 117.38 109.11 1j0e n GLN 77 Ca 0.00 -2.04 -0.50 0.00 -1.94 0.00 0.00 57.00 52.53 1j0e n GLN 77 Cb 0.30 -1.92 -0.05 0.00 0.11 0.00 0.00 30.24 28.68 1j0e n GLN 77 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1j0e n SER 78 N 0.04 1.76 0.10 1.08 2.88 -0.49 -4.73 113.62 114.25 1j0e n SER 78 Ca 0.26 1.13 -0.20 0.00 -1.33 0.00 0.00 58.87 58.73 1j0e n SER 78 Cb 1.03 -1.24 -0.15 0.00 -0.75 0.00 0.00 64.21 63.10 1j0e n SER 78 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1j0e h ASN 79 N 4.18 0.58 -0.10 -3.46 2.35 -1.94 -3.26 115.58 113.94 1j0e h ASN 79 Ca -0.45 -0.72 0.04 0.00 -0.55 0.00 0.00 56.30 54.62 1j0e h ASN 79 Cb 1.33 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.45 1j0e h ASN 79 CO 0.76 1.58 -0.30 -0.61 -1.65 0.00 0.00 177.43 177.20 1j0e h GLN 80 N 0.10 -0.38 -0.78 0.81 5.75 -1.93 -0.19 115.11 118.50 1j0e h GLN 80 Ca -0.25 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.33 1j0e h GLN 80 Cb 2.07 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 30.66 1j0e h GLN 80 CO 0.21 -0.25 0.51 1.79 -2.65 0.00 0.00 178.83 178.43 1j0e h THR 81 N -0.40 1.06 0.00 2.39 1.35 -1.82 -0.47 112.91 115.02 1j0e h THR 81 Ca 0.09 -0.30 -0.11 0.00 -0.55 0.00 0.00 66.41 65.54 1j0e h THR 81 Cb 0.53 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1j0e h THR 81 CO -0.32 0.16 -0.51 -0.09 -0.25 0.00 0.00 175.52 174.50 1j0e h ARG 82 N 0.86 0.00 0.12 4.72 1.12 -1.30 -2.05 114.38 117.86 1j0e h ARG 82 Ca 0.33 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.91 1j0e h ARG 82 Cb 0.19 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1j0e h ARG 82 CO -0.11 0.51 -1.35 0.52 -3.11 0.00 0.00 179.97 176.43 1j0e h MET 83 N 0.00 0.26 0.00 0.20 2.86 -0.09 -2.95 114.93 115.20 1j0e h MET 83 Ca -0.01 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 1j0e h MET 83 Cb 0.95 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1j0e h MET 83 CO 0.07 1.17 -0.22 0.28 1.06 0.00 0.00 176.91 179.27 1j0e h VAL 84 N 0.07 1.13 -0.11 -2.22 2.07 -1.04 0.77 116.25 116.92 1j0e h VAL 84 Ca -0.17 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1j0e h VAL 84 Cb 1.99 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1j0e h VAL 84 CO 0.19 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.93 1j0e h ALA 85 N 1.78 0.15 -0.18 1.67 0.00 -1.37 -0.96 119.26 120.35 1j0e h ALA 85 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1j0e h ALA 85 Cb 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1j0e h ALA 85 CO 0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 1j0e h ALA 86 N 0.64 1.40 0.08 0.00 0.00 -1.25 -2.42 119.26 117.71 1j0e h ALA 86 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j0e h ALA 86 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j0e h ALA 86 CO 0.02 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 180.89 1j0e h LEU 87 N 0.28 -0.09 -1.88 0.00 6.46 -0.72 -1.68 115.31 117.68 1j0e h LEU 87 Ca 0.05 -0.29 0.14 0.00 -0.12 0.00 0.00 57.88 57.67 1j0e h LEU 87 Cb 0.45 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1j0e h LEU 87 CO 0.03 0.24 0.39 0.00 -0.62 0.00 0.00 178.44 178.48 1j0e h ALA 88 N 0.43 2.36 0.01 1.25 0.00 -0.96 0.22 119.26 122.56 1j0e h ALA 88 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1j0e h ALA 88 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1j0e h ALA 88 CO 0.02 -0.51 -0.88 0.00 0.00 0.00 0.00 179.25 177.88 1j0e h ALA 89 N 1.72 0.54 -0.25 0.00 0.00 -1.15 0.33 119.26 120.45 1j0e h ALA 89 Ca 0.27 -0.75 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1j0e h ALA 89 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1j0e h ALA 89 CO -0.03 0.98 -0.55 -0.22 0.00 0.00 0.00 179.25 179.43 1j0e h LYS 90 N 0.06 0.82 -0.01 0.00 1.63 0.25 -3.14 116.57 116.18 1j0e h LYS 90 Ca -0.03 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 1j0e h LYS 90 Cb 1.52 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.22 1j0e h LYS 90 CO 0.13 1.17 -0.06 1.28 -3.45 0.00 0.00 179.45 178.51 1j0e n LEU 91 N -4.05 0.62 -1.84 5.20 4.77 0.34 -4.92 117.00 117.12 1j0e n LEU 91 Ca -0.05 -0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.66 1j0e n LEU 91 Cb 0.63 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1j0e n LEU 91 CO 0.50 0.11 -0.10 0.61 -1.33 0.00 0.00 177.39 177.17 1j0e n GLY 92 N 1.19 -0.18 3.84 -0.72 0.00 -0.56 -5.01 105.19 103.74 1j0e n GLY 92 Ca 0.18 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1j0e n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j0e s LYS 93 N -4.97 2.56 0.62 1.61 3.01 0.10 -5.02 119.74 117.64 1j0e s LYS 93 Ca 0.09 -1.47 -0.04 0.00 -1.01 0.00 0.00 55.97 53.54 1j0e s LYS 93 Cb -0.04 -2.36 0.04 0.00 -1.01 0.00 0.00 37.83 34.46 1j0e s LYS 93 CO 0.11 -0.04 0.90 0.15 0.51 0.00 0.00 175.35 176.98 1j0e s LYS 94 N -4.02 2.54 -0.12 1.68 1.02 -0.46 -4.43 119.74 115.94 1j0e s LYS 94 Ca 0.43 -0.35 -0.06 0.00 0.02 0.00 0.00 55.97 56.02 1j0e s LYS 94 Cb -0.04 -2.31 0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1j0e s LYS 94 CO 0.26 -0.89 0.28 0.00 -0.92 0.00 0.00 175.35 174.09 1j0e s VAL 96 N 1.39 2.44 -0.14 0.00 1.01 -0.77 0.27 120.40 124.61 1j0e s VAL 96 Ca -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1j0e s VAL 96 Cb -0.10 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1j0e s VAL 96 CO -0.10 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.56 1j0e s LEU 97 N 1.15 2.26 -0.32 3.92 1.43 -0.63 -2.02 118.68 124.48 1j0e s LEU 97 Ca 0.01 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1j0e s LEU 97 Cb -0.14 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1j0e s LEU 97 CO -0.07 0.10 0.27 -0.63 0.23 0.00 0.00 176.35 176.24 1j0e s ILE 98 N 0.73 5.26 -0.43 -0.59 1.01 -0.84 -1.02 121.20 125.31 1j0e s ILE 98 Ca -0.08 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 1j0e s ILE 98 Cb -0.16 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.73 1j0e s ILE 98 CO 0.01 0.06 0.28 -1.10 0.00 0.00 0.00 174.94 174.19 1j0e s GLN 99 N 1.83 2.44 0.56 2.79 -1.52 0.63 -1.28 119.66 125.12 1j0e s GLN 99 Ca 0.08 -1.64 -0.06 0.00 -1.95 0.00 0.00 55.36 51.79 1j0e s GLN 99 Cb -0.17 -3.78 -0.00 0.00 -0.22 0.00 0.00 33.01 28.84 1j0e s GLN 99 CO 0.11 -1.06 0.88 -1.21 -0.25 0.00 0.00 175.29 173.75 1j0e s GLU 100 N 1.34 3.08 -1.13 2.91 2.02 0.59 -1.07 118.70 126.44 1j0e s GLU 100 Ca 0.05 0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 1j0e s GLU 100 Cb -0.24 -2.29 0.10 0.00 0.10 0.00 0.00 34.13 31.80 1j0e s GLU 100 CO -0.00 -0.58 1.47 0.34 0.02 0.00 0.00 175.26 176.51 1j0e s ASP 101 N -4.25 6.76 0.01 -0.19 2.15 0.25 -2.64 116.67 118.77 1j0e s ASP 101 Ca 0.52 -2.23 0.23 0.00 0.43 0.00 0.00 52.55 51.50 1j0e s ASP 101 Cb -0.10 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 40.03 1j0e s ASP 101 CO 0.45 -1.14 1.03 0.79 -0.17 0.00 0.00 175.17 176.13 1j0e n TRP 102 N 7.50 0.09 -4.49 -5.34 7.02 -1.26 -3.84 117.44 117.11 1j0e n TRP 102 Ca 0.37 0.03 -0.22 0.00 -1.02 0.00 0.00 57.50 56.65 1j0e n TRP 102 Cb 0.47 -0.23 -0.16 0.00 -2.42 0.00 0.00 31.31 28.97 1j0e n TRP 102 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1j0e s VAL 103 N -3.10 0.94 -0.40 -0.99 1.01 -1.26 -4.48 120.40 112.13 1j0e s VAL 103 Ca 0.06 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1j0e s VAL 103 Cb 0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1j0e s VAL 103 CO 0.81 0.29 2.05 -2.84 0.00 0.00 0.00 175.10 175.42 1j0e s PRO 104 N 0.26 2.85 -0.10 2.72 0.02 -1.26 -4.91 135.00 134.58 1j0e s PRO 104 Ca -0.05 1.39 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 1j0e s PRO 104 Cb -0.10 -4.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.02 1j0e s PRO 104 CO 0.01 -2.44 1.34 0.42 -0.33 0.00 0.00 177.00 176.01 1j0e s ILE 105 N 8.94 4.07 0.82 2.83 1.01 -1.26 -4.95 121.20 132.66 1j0e s ILE 105 Ca 0.86 1.34 -0.14 0.00 0.00 0.00 0.00 60.65 62.71 1j0e s ILE 105 Cb -0.22 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.43 1j0e s ILE 105 CO 0.29 -0.08 0.85 -2.65 0.00 0.00 0.00 174.94 173.35 1j0e n PRO 106 N 6.30 0.10 -0.26 2.79 -0.02 -1.26 -4.80 135.00 137.85 1j0e n PRO 106 Ca 0.14 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1j0e n PRO 106 Cb 0.44 -2.15 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1j0e n PRO 106 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j0e h GLU 107 N -0.92 1.02 0.00 -0.52 4.57 -2.01 -2.38 114.58 114.34 1j0e h GLU 107 Ca -0.45 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1j0e h GLU 107 Cb 1.31 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1j0e h GLU 107 CO 0.42 0.79 0.00 0.00 -1.18 0.00 0.00 179.01 179.05 1j0e n ALA 108 N -2.37 2.34 -0.51 2.92 0.00 -1.26 -2.89 120.51 118.74 1j0e n ALA 108 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1j0e n ALA 108 Cb 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1j0e n ALA 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j0e n GLU 109 N -0.61 0.11 0.01 0.00 -0.58 -0.92 -4.82 120.64 113.83 1j0e n GLU 109 Ca 0.04 -0.47 0.13 0.00 -0.42 0.00 0.00 57.16 56.44 1j0e n GLU 109 Cb 0.02 -0.74 0.58 0.00 -0.57 0.00 0.00 31.44 30.72 1j0e n GLU 109 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1j0e h LYS 110 N 0.00 0.21 -0.58 3.49 2.10 -1.35 0.11 116.57 120.55 1j0e h LYS 110 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1j0e h LYS 110 Cb 0.41 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1j0e h LYS 110 CO 0.00 0.14 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 1j0e n ASP 111 N -4.46 4.58 0.00 7.07 8.00 -1.26 -4.44 116.55 126.05 1j0e n ASP 111 Ca 0.07 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 53.07 1j0e n ASP 111 Cb 0.37 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1j0e n ASP 111 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j0e n VAL 112 N 0.86 0.00 -0.15 2.53 0.31 -0.76 -4.79 118.33 116.33 1j0e n VAL 112 Ca 0.24 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.52 1j0e n VAL 112 Cb 0.87 -0.31 0.04 0.00 -0.91 0.00 0.00 33.84 33.53 1j0e n VAL 112 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1j0e h TYR 113 N 0.00 0.43 -0.21 3.52 3.20 -1.02 -1.92 116.97 120.96 1j0e h TYR 113 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1j0e h TYR 113 Cb 0.33 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1j0e h TYR 113 CO 0.00 0.21 0.00 0.09 -1.64 0.00 0.00 178.16 176.82 1j0e n ASN 114 N -4.90 1.23 0.00 -2.11 3.02 -1.26 -4.35 115.26 106.89 1j0e n ASN 114 Ca 0.03 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1j0e n ASN 114 Cb 0.12 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1j0e n ASN 114 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j0e n ARG 115 N 0.14 2.16 -1.84 3.52 1.74 -0.92 -4.90 116.66 116.57 1j0e n ARG 115 Ca 0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.08 1j0e n ARG 115 Cb 0.21 -0.83 0.03 0.00 -1.02 0.00 0.00 32.46 30.85 1j0e n ARG 115 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1j0e n VAL 116 N -1.61 0.00 -3.19 1.55 0.24 -0.77 -4.03 118.33 110.52 1j0e n VAL 116 Ca 0.00 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1j0e n VAL 116 Cb 0.33 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 1j0e n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j0e n GLY 117 N 1.74 2.85 0.20 7.63 0.00 -1.26 -3.61 105.19 112.73 1j0e n GLY 117 Ca 0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1j0e n GLY 117 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j0e h ASN 118 N 6.47 0.55 0.18 1.61 2.35 -1.85 -2.49 115.58 122.41 1j0e h ASN 118 Ca 0.00 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1j0e h ASN 118 Cb 0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1j0e h ASN 118 CO 0.00 0.47 -0.11 -0.29 -1.65 0.00 0.00 177.43 175.85 1j0e h ILE 119 N 0.59 0.82 0.04 2.81 2.10 -1.71 -1.79 117.51 120.38 1j0e h ILE 119 Ca 0.16 -0.40 -0.00 0.00 1.08 0.00 0.00 64.86 65.70 1j0e h ILE 119 Cb 0.03 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1j0e h ILE 119 CO -0.03 0.10 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.05 1j0e h GLU 120 N 0.00 -0.06 -0.92 2.19 4.81 -1.52 -2.81 114.58 116.28 1j0e h GLU 120 Ca -0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1j0e h GLU 120 Cb 0.22 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.53 1j0e h GLU 120 CO 0.01 0.34 0.54 -0.07 -0.73 0.00 0.00 179.01 179.11 1j0e h LEU 121 N -0.47 0.77 -0.94 1.64 3.38 -0.98 0.95 115.31 119.67 1j0e h LEU 121 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j0e h LEU 121 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1j0e h LEU 121 CO 0.01 0.40 0.38 0.28 0.09 0.00 0.00 178.44 179.60 1j0e h SER 122 N 0.85 1.04 -0.67 -0.43 0.02 -1.36 -1.58 113.55 111.41 1j0e h SER 122 Ca 0.46 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1j0e h SER 122 Cb 0.50 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1j0e h SER 122 CO -0.28 0.87 0.22 0.03 -1.14 0.00 0.00 176.83 176.53 1j0e h ARG 123 N 1.14 1.03 -0.53 3.45 3.08 -0.60 -2.43 114.38 119.52 1j0e h ARG 123 Ca 0.28 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1j0e h ARG 123 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1j0e h ARG 123 CO -0.04 0.89 0.13 0.82 -1.07 0.00 0.00 179.97 180.71 1j0e h ILE 124 N 0.97 1.22 0.00 2.04 2.04 -0.74 -2.06 117.51 120.98 1j0e h ILE 124 Ca 0.22 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1j0e h ILE 124 Cb 0.28 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1j0e h ILE 124 CO -0.01 0.30 0.00 0.23 0.00 0.00 0.00 178.15 178.67 1j0e n MET 125 N -4.28 0.95 -1.25 2.37 2.81 -0.64 -4.86 117.12 112.22 1j0e n MET 125 Ca 0.04 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 1j0e n MET 125 Cb 0.22 -1.20 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1j0e n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j0e n GLY 126 N 0.27 1.05 3.80 3.03 0.00 -0.77 -4.87 105.19 107.69 1j0e n GLY 126 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1j0e n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e s ALA 127 N -2.31 2.98 -1.11 4.61 0.00 -0.95 -4.80 121.76 120.18 1j0e s ALA 127 Ca 0.00 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1j0e s ALA 127 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1j0e s ALA 127 CO 0.00 -0.12 1.53 0.34 0.00 0.00 0.00 175.76 177.50 1j0e s ASP 128 N -1.96 6.62 -0.28 0.00 -1.08 0.14 -4.72 116.67 115.39 1j0e s ASP 128 Ca 0.63 -1.81 -0.27 0.00 -0.52 0.00 0.00 52.55 50.58 1j0e s ASP 128 Cb -0.15 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 1j0e s ASP 128 CO 0.19 -1.37 0.95 -0.69 0.52 0.00 0.00 175.17 174.77 1j0e s VAL 129 N 4.58 4.68 -0.22 1.11 1.01 -1.26 -1.60 120.40 128.70 1j0e s VAL 129 Ca 0.48 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 64.07 1j0e s VAL 129 Cb 0.01 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1j0e s VAL 129 CO -0.04 -0.28 -0.08 -0.13 0.00 0.00 0.00 175.10 174.57 1j0e s ARG 130 N 3.22 3.14 -0.42 2.72 0.52 -0.19 -4.99 118.95 122.95 1j0e s ARG 130 Ca 0.40 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.65 1j0e s ARG 130 Cb -0.14 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.43 1j0e s ARG 130 CO 0.11 -0.26 0.53 0.08 0.02 0.00 0.00 175.30 175.78 1j0e s VAL 131 N 1.40 4.97 0.35 3.52 1.01 -1.26 -0.27 120.40 130.12 1j0e s VAL 131 Ca 0.04 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1j0e s VAL 131 Cb -0.15 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1j0e s VAL 131 CO -0.06 -0.48 -0.06 0.27 0.00 0.00 0.00 175.10 174.78 1j0e s ILE 132 N 2.46 2.32 -1.67 2.22 -4.36 -0.23 -4.99 121.20 116.95 1j0e s ILE 132 Ca 0.17 -2.12 0.27 0.00 -0.26 0.00 0.00 60.65 58.71 1j0e s ILE 132 Cb -0.16 -2.72 0.33 0.00 1.25 0.00 0.00 42.46 41.16 1j0e s ILE 132 CO 0.16 -0.18 1.67 -0.62 0.24 0.00 0.00 174.94 176.21 1j0e n GLU 133 N -0.86 0.73 -1.63 0.37 -0.58 -1.26 -2.18 120.64 115.24 1j0e n GLU 133 Ca -0.05 -0.37 -0.38 0.00 -0.42 0.00 0.00 57.16 55.94 1j0e n GLU 133 Cb 0.63 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 30.06 1j0e n GLU 133 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j0e n ASP 134 N -0.81 0.95 -4.75 1.62 9.92 -1.26 -4.43 116.55 117.79 1j0e n ASP 134 Ca 0.13 0.83 -0.23 0.00 -0.53 0.00 0.00 54.79 54.98 1j0e n ASP 134 Cb 0.32 -1.40 0.09 0.00 -0.64 0.00 0.00 41.12 39.49 1j0e n ASP 134 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1j0e s GLY 135 N -1.20 1.77 0.30 0.44 0.00 -1.26 -0.58 107.32 106.79 1j0e s GLY 135 Ca 0.75 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.58 1j0e s GLY 135 CO 0.47 -1.09 1.57 0.33 0.00 0.00 0.00 173.10 174.38 1j0e n PHE 136 N -2.74 2.82 -3.65 1.90 7.35 -1.25 -4.83 117.46 117.06 1j0e n PHE 136 Ca 0.13 0.29 -0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1j0e n PHE 136 Cb 0.60 -2.58 -0.06 0.00 0.35 0.00 0.00 39.48 37.79 1j0e n PHE 136 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1j0e s ASP 137 N 0.42 -0.28 0.25 -2.13 3.68 -1.26 -5.05 116.67 112.30 1j0e s ASP 137 Ca 0.63 0.45 0.24 0.00 2.13 0.00 0.00 52.55 56.00 1j0e s ASP 137 Cb -0.50 1.10 0.38 0.00 -1.45 0.00 0.00 42.92 42.45 1j0e s ASP 137 CO 0.50 -0.07 1.45 0.16 0.13 0.00 0.00 175.17 177.34 1j0e h ILE 138 N 4.97 0.00 -4.15 4.11 3.07 -1.95 -3.47 117.51 120.09 1j0e h ILE 138 Ca -0.27 -0.74 -0.45 0.00 1.55 0.00 0.00 64.86 64.95 1j0e h ILE 138 Cb 1.17 1.52 0.15 0.00 -0.27 0.00 0.00 36.82 39.39 1j0e h ILE 138 CO 0.22 0.00 0.39 -0.83 -1.05 0.00 0.00 178.15 176.88 1j0e s GLY 139 N -3.94 1.71 0.60 0.16 0.00 -1.26 -4.84 107.32 99.75 1j0e s GLY 139 Ca 0.06 -1.01 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 1j0e s GLY 139 CO 0.69 -0.31 0.88 1.03 0.00 0.00 0.00 173.10 175.39 1j0e n MET 140 N -3.73 0.80 -4.96 2.90 2.81 -1.26 -4.97 117.12 108.71 1j0e n MET 140 Ca 0.13 0.31 -0.29 0.00 -1.81 0.00 0.00 57.70 56.04 1j0e n MET 140 Cb 0.60 -2.08 -0.15 0.00 -0.71 0.00 0.00 33.22 30.88 1j0e n MET 140 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1j0e s ARG 141 N -2.65 1.79 0.31 0.03 1.81 -1.26 -5.03 118.95 113.95 1j0e s ARG 141 Ca 0.75 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 1j0e s ARG 141 Cb -0.42 -1.89 0.50 0.00 -0.45 0.00 0.00 34.95 32.69 1j0e s ARG 141 CO 0.48 0.50 1.89 -0.22 -0.68 0.00 0.00 175.30 177.27 1j0e h LYS 142 N 5.02 0.81 -0.79 3.54 3.64 -1.99 -2.53 116.57 124.27 1j0e h LYS 142 Ca -0.45 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1j0e h LYS 142 Cb 1.14 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1j0e h LYS 142 CO 0.45 0.66 0.49 0.66 -2.27 0.00 0.00 179.45 179.44 1j0e h SER 143 N 0.80 0.94 -0.15 4.20 4.64 -1.99 0.13 113.55 122.12 1j0e h SER 143 Ca 0.19 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1j0e h SER 143 Cb 0.16 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1j0e h SER 143 CO -0.02 0.72 0.09 0.15 -0.87 0.00 0.00 176.83 176.90 1j0e h PHE 144 N 1.08 0.20 -0.69 4.77 3.57 -1.87 -0.19 116.94 123.80 1j0e h PHE 144 Ca 0.28 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1j0e h PHE 144 Cb -0.06 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1j0e h PHE 144 CO -0.01 0.17 0.43 0.00 -2.23 0.00 0.00 178.31 176.67 1j0e h ALA 145 N 1.01 1.46 -0.31 2.41 0.00 -0.99 -1.66 119.26 121.17 1j0e h ALA 145 Ca 0.05 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1j0e h ALA 145 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1j0e h ALA 145 CO -0.01 0.48 -0.44 -0.91 0.00 0.00 0.00 179.25 178.37 1j0e h ASN 146 N 0.94 0.87 -0.72 0.00 2.35 -0.38 -2.69 115.58 115.95 1j0e h ASN 146 Ca 0.25 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1j0e h ASN 146 Cb -0.06 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1j0e h ASN 146 CO -0.05 1.18 0.35 0.00 -1.65 0.00 0.00 177.43 177.26 1j0e h ALA 147 N 0.85 1.23 -0.27 -0.83 0.00 -0.32 -1.39 119.26 118.53 1j0e h ALA 147 Ca 0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1j0e h ALA 147 Cb 1.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j0e h ALA 147 CO 0.10 0.59 -0.38 -0.07 0.00 0.00 0.00 179.25 179.49 1j0e h LEU 148 N 1.05 0.80 -0.25 0.00 3.38 -1.26 -2.58 115.31 116.45 1j0e h LEU 148 Ca 0.26 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1j0e h LEU 148 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1j0e h LEU 148 CO -0.03 1.15 -0.00 -0.61 0.09 0.00 0.00 178.44 179.04 1j0e h GLN 149 N 0.47 0.44 -0.43 1.13 5.75 -1.33 -2.36 115.11 118.77 1j0e h GLN 149 Ca 0.03 -0.14 0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1j0e h GLN 149 Cb 0.97 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.43 1j0e h GLN 149 CO 0.09 0.61 0.14 1.49 -2.65 0.00 0.00 178.83 178.51 1j0e h GLU 150 N 0.21 0.30 -0.89 1.69 4.81 -1.30 -0.41 114.58 118.99 1j0e h GLU 150 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1j0e h GLU 150 Cb 0.41 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1j0e h GLU 150 CO 0.01 0.20 0.49 -0.07 -0.73 0.00 0.00 179.01 178.91 1j0e h LEU 151 N 0.31 1.12 -0.74 1.64 3.38 -1.38 -2.58 115.31 117.05 1j0e h LEU 151 Ca 0.20 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1j0e h LEU 151 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1j0e h LEU 151 CO -0.21 0.89 -0.54 -0.33 0.09 0.00 0.00 178.44 178.34 1j0e h GLU 152 N 1.25 0.26 0.00 1.13 5.08 -0.93 -1.90 114.58 119.47 1j0e h GLU 152 Ca 0.31 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1j0e h GLU 152 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1j0e h GLU 152 CO -0.05 0.73 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 1j0e n ASP 153 N -3.93 0.57 -0.77 1.42 8.00 -0.21 -1.45 116.55 120.19 1j0e n ASP 153 Ca -0.02 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.24 1j0e n ASP 153 Cb 0.57 -0.76 0.24 0.00 -0.02 0.00 0.00 41.12 41.15 1j0e n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j0e n ALA 154 N -1.73 2.55 -0.51 2.24 0.00 -0.94 -4.94 120.51 117.17 1j0e n ALA 154 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1j0e n ALA 154 Cb 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1j0e n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0e n GLY 155 N 1.30 0.69 3.95 0.00 0.00 -0.53 -5.08 105.19 105.51 1j0e n GLY 155 Ca 0.15 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1j0e n GLY 155 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j0e s HIS 156 N -2.00 3.08 -0.67 1.61 3.76 -0.76 -5.01 115.29 115.30 1j0e s HIS 156 Ca 0.00 -0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1j0e s HIS 156 Cb 0.00 -1.89 0.17 0.00 1.11 0.00 0.00 32.58 31.97 1j0e s HIS 156 CO 0.00 0.10 0.49 0.15 -0.85 0.00 0.00 174.74 174.62 1j0e s LYS 157 N -4.10 2.64 0.11 1.40 -0.14 -1.26 -4.19 119.74 114.21 1j0e s LYS 157 Ca 0.43 -2.71 -0.28 0.00 -1.36 0.00 0.00 55.97 52.04 1j0e s LYS 157 Cb -0.08 -3.72 -0.06 0.00 -1.68 0.00 0.00 37.83 32.28 1j0e s LYS 157 CO 0.29 -1.19 0.88 -1.25 -0.76 0.00 0.00 175.35 173.33 1j0e s PRO 158 N -0.38 4.65 -0.34 -1.68 0.04 -1.26 -0.04 135.00 135.99 1j0e s PRO 158 Ca 0.19 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 1j0e s PRO 158 Cb -0.18 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.05 1j0e s PRO 158 CO -0.05 0.31 0.10 -0.47 0.04 0.00 0.00 177.00 176.93 1j0e s TYR 159 N -0.28 3.25 0.07 0.56 6.14 0.94 -4.95 117.35 123.08 1j0e s TYR 159 Ca 0.43 -1.41 -0.31 0.00 0.64 0.00 0.00 57.07 56.42 1j0e s TYR 159 Cb -0.23 -2.27 -0.07 0.00 0.42 0.00 0.00 41.96 39.81 1j0e s TYR 159 CO 0.28 -0.72 1.32 -1.25 0.64 0.00 0.00 175.55 175.82 1j0e s PRO 160 N 1.41 4.35 -0.36 4.97 0.04 -1.26 -1.69 135.00 142.46 1j0e s PRO 160 Ca -0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1j0e s PRO 160 Cb -0.19 -3.35 0.12 0.00 0.04 0.00 0.00 34.50 31.12 1j0e s PRO 160 CO 0.03 -0.40 0.16 0.42 0.04 0.00 0.00 177.00 177.25 1j0e s ILE 161 N 1.36 0.93 1.19 0.56 1.01 0.29 -4.95 121.20 121.58 1j0e s ILE 161 Ca 0.62 -1.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.30 1j0e s ILE 161 Cb -0.33 -1.68 0.27 0.00 0.01 0.00 0.00 42.46 40.73 1j0e s ILE 161 CO 0.29 -0.80 0.81 -2.65 0.00 0.00 0.00 174.94 172.59 1j0e n PRO 162 N 4.29 -2.51 -1.59 2.79 -0.02 -1.26 -3.90 135.00 132.79 1j0e n PRO 162 Ca 0.04 -0.71 -0.55 0.00 -2.02 0.00 0.00 63.50 60.25 1j0e n PRO 162 Cb 0.39 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1j0e n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j0e n ALA 163 N -4.96 -1.60 -0.76 3.55 0.00 -1.26 -0.42 120.51 115.07 1j0e n ALA 163 Ca 0.02 0.52 -0.02 0.00 0.00 0.00 0.00 53.44 53.96 1j0e n ALA 163 Cb 0.56 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 1j0e n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0e n GLY 164 N 2.55 0.19 4.07 0.00 0.00 -1.26 -2.31 105.19 108.43 1j0e n GLY 164 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1j0e n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e n SER 166 N 0.00 -0.94 -0.68 0.00 7.64 -0.98 -1.00 113.62 117.66 1j0e n SER 166 Ca 0.00 1.57 -0.00 0.00 1.01 0.00 0.00 58.87 61.45 1j0e n SER 166 Cb 0.00 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.01 1j0e n SER 166 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j0e n GLU 167 N -5.10 1.14 -3.64 1.43 1.02 -1.26 -4.53 120.64 109.70 1j0e n GLU 167 Ca 0.02 -0.14 -0.37 0.00 -0.02 0.00 0.00 57.16 56.65 1j0e n GLU 167 Cb 0.23 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1j0e n GLU 167 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1j0e s HIS 168 N -0.85 3.67 0.18 -0.32 2.46 -0.17 -4.97 115.29 115.29 1j0e s HIS 168 Ca 0.02 0.81 -0.13 0.00 0.47 0.00 0.00 55.06 56.24 1j0e s HIS 168 Cb 0.02 -2.15 0.21 0.00 -0.13 0.00 0.00 32.58 30.52 1j0e s HIS 168 CO 0.01 0.67 1.21 1.17 -2.47 0.00 0.00 174.74 175.33 1j0e n LYS 169 N 1.79 -0.17 -0.98 2.88 4.81 -1.26 0.64 118.16 125.88 1j0e n LYS 169 Ca -0.16 1.21 -0.03 0.00 -0.87 0.00 0.00 58.31 58.46 1j0e n LYS 169 Cb 0.53 -1.79 0.32 0.00 0.02 0.00 0.00 35.03 34.11 1j0e n LYS 169 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j0e n TYR 170 N -5.17 2.34 0.23 5.64 4.01 -1.26 -4.61 117.16 118.33 1j0e n TYR 170 Ca 0.09 -1.06 0.06 0.00 -0.16 0.00 0.00 57.90 56.82 1j0e n TYR 170 Cb 0.32 -0.64 0.52 0.00 -0.31 0.00 0.00 39.34 39.23 1j0e n TYR 170 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j0e h GLY 171 N 3.10 0.01 0.08 2.72 0.00 0.02 -3.07 103.07 105.93 1j0e h GLY 171 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1j0e h GLY 171 CO 0.67 0.00 -0.39 0.61 0.00 0.00 0.00 176.54 177.44 1j0e n GLY 172 N -1.08 -0.60 0.21 4.60 0.00 -1.26 -4.38 105.19 102.69 1j0e n GLY 172 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1j0e n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j0e h LEU 173 N 1.20 0.63 -0.48 0.99 3.38 -1.88 -3.12 115.31 116.02 1j0e h LEU 173 Ca 0.00 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1j0e h LEU 173 Cb 0.56 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1j0e h LEU 173 CO 0.00 0.63 -0.24 1.23 0.09 0.00 0.00 178.44 180.15 1j0e h GLY 174 N 0.58 0.07 0.93 0.83 0.00 -1.76 0.17 103.07 103.89 1j0e h GLY 174 Ca 0.15 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1j0e h GLY 174 CO -0.01 -0.21 0.00 0.69 0.00 0.00 0.00 176.54 177.01 1j0e n PHE 175 N -5.41 0.00 0.10 5.60 3.72 -1.20 -2.22 117.46 118.05 1j0e n PHE 175 Ca 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 1j0e n PHE 175 Cb 0.32 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.72 1j0e n PHE 175 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1j0e h VAL 176 N 0.00 1.31 -0.02 -4.37 2.07 -0.81 -2.90 116.25 111.53 1j0e h VAL 176 Ca 0.00 -2.53 -0.08 0.00 0.82 0.00 0.00 66.70 64.91 1j0e h VAL 176 Cb 0.00 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1j0e h VAL 176 CO 0.00 0.76 -0.35 1.23 0.02 0.00 0.00 177.57 179.23 1j0e h GLY 177 N 0.15 0.05 0.99 2.17 0.00 -1.06 -1.86 103.07 103.50 1j0e h GLY 177 Ca -0.20 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1j0e h GLY 177 CO 0.24 0.04 0.36 -2.75 0.00 0.00 0.00 176.54 174.43 1j0e h PHE 178 N 0.04 0.69 -0.72 5.60 3.04 -1.43 -0.09 116.94 124.07 1j0e h PHE 178 Ca 0.00 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.01 1j0e h PHE 178 Cb 0.64 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.87 1j0e h PHE 178 CO 0.00 0.43 0.44 0.00 -2.02 0.00 0.00 178.31 177.16 1j0e h ALA 179 N 1.21 0.95 -0.54 2.41 0.00 -1.15 -0.66 119.26 121.47 1j0e h ALA 179 Ca 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1j0e h ALA 179 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1j0e h ALA 179 CO -0.05 0.19 0.08 -0.44 0.00 0.00 0.00 179.25 179.03 1j0e h ASP 180 N 0.84 0.82 -0.50 0.00 3.32 -0.93 -2.35 116.42 117.62 1j0e h ASP 180 Ca 0.30 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1j0e h ASP 180 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1j0e h ASP 180 CO -0.13 0.83 0.31 -0.33 -1.72 0.00 0.00 179.24 178.20 1j0e h GLU 181 N 0.82 0.67 -0.40 3.56 5.08 0.15 -1.93 114.58 122.52 1j0e h GLU 181 Ca 0.17 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1j0e h GLU 181 Cb 0.38 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1j0e h GLU 181 CO 0.01 0.47 0.13 0.28 -1.00 0.00 0.00 179.01 178.90 1j0e h VAL 182 N 0.67 0.87 -0.07 3.13 2.07 -0.70 0.37 116.25 122.58 1j0e h VAL 182 Ca 0.18 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1j0e h VAL 182 Cb -0.04 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1j0e h VAL 182 CO -0.04 0.05 -0.07 0.40 0.02 0.00 0.00 177.57 177.94 1j0e h ILE 183 N 0.29 0.80 -0.57 4.57 5.03 -1.14 0.20 117.51 126.68 1j0e h ILE 183 Ca 0.19 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.90 1j0e h ILE 183 Cb 0.18 0.80 -0.03 0.00 -3.03 0.00 0.00 36.82 34.74 1j0e h ILE 183 CO -0.20 0.00 0.26 0.78 -0.68 0.00 0.00 178.15 178.31 1j0e h ASN 184 N -0.09 0.74 0.59 1.72 2.35 -0.60 -2.27 115.58 118.01 1j0e h ASN 184 Ca 0.05 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 1j0e h ASN 184 Cb 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1j0e h ASN 184 CO -0.13 0.64 -0.63 1.56 -1.65 0.00 0.00 177.43 177.23 1j0e h GLN 185 N 0.81 0.04 -0.83 0.81 4.20 0.39 -2.10 115.11 118.43 1j0e h GLN 185 Ca 0.20 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.89 1j0e h GLN 185 Cb 0.11 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1j0e h GLN 185 CO -0.02 0.65 0.54 0.93 -0.67 0.00 0.00 178.83 180.26 1j0e h GLU 186 N 0.03 1.10 -0.15 1.46 5.08 -0.06 0.28 114.58 122.30 1j0e h GLU 186 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1j0e h GLU 186 Cb 1.12 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1j0e h GLU 186 CO 0.08 0.73 0.07 0.28 -1.00 0.00 0.00 179.01 179.18 1j0e h VAL 187 N 1.13 1.13 -0.05 3.13 2.07 -1.13 0.32 116.25 122.84 1j0e h VAL 187 Ca 0.30 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1j0e h VAL 187 Cb -0.12 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1j0e h VAL 187 CO -0.06 0.12 -0.45 1.05 0.02 0.00 0.00 177.57 178.25 1j0e h GLU 188 N 0.12 0.13 0.00 1.57 4.11 -0.90 -2.83 114.58 116.77 1j0e h GLU 188 Ca 0.05 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 1j0e h GLU 188 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1j0e h GLU 188 CO -0.01 0.55 -0.53 -0.07 0.07 0.00 0.00 179.01 179.03 1j0e h LEU 189 N 0.10 0.00 0.30 3.06 3.38 -0.28 -3.48 115.31 118.40 1j0e h LEU 189 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1j0e h LEU 189 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1j0e h LEU 189 CO 0.06 0.53 -0.06 0.61 0.09 0.00 0.00 178.44 179.67 1j0e n GLY 190 N 1.11 0.36 3.22 0.83 0.00 0.11 -5.03 105.19 105.78 1j0e n GLY 190 Ca 0.02 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1j0e n GLY 190 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j0e s ILE 191 N -2.12 0.00 -0.04 -0.61 -4.36 -1.05 -5.05 121.20 107.96 1j0e s ILE 191 Ca 0.00 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 1j0e s ILE 191 Cb 0.00 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1j0e s ILE 191 CO 0.00 0.00 -0.15 -0.75 0.24 0.00 0.00 174.94 174.28 1j0e s LYS 192 N -4.13 1.66 -0.35 0.37 2.36 -1.26 -4.51 119.74 113.88 1j0e s LYS 192 Ca 0.38 -0.54 -0.22 0.00 -2.55 0.00 0.00 55.97 53.04 1j0e s LYS 192 Cb 0.06 -1.44 0.00 0.00 -1.05 0.00 0.00 37.83 35.41 1j0e s LYS 192 CO 0.12 0.19 0.73 -0.06 1.55 0.00 0.00 175.35 177.89 1j0e s PHE 193 N 0.15 3.15 0.22 4.03 0.08 -1.26 -4.51 117.98 119.84 1j0e s PHE 193 Ca -0.05 0.55 -0.02 0.00 0.12 0.00 0.00 56.93 57.52 1j0e s PHE 193 Cb -0.12 -3.27 0.21 0.00 -0.57 0.00 0.00 43.02 39.28 1j0e s PHE 193 CO 0.02 -0.66 1.60 -0.44 -0.10 0.00 0.00 175.22 175.64 1j0e h ASP 194 N 8.39 0.62 -5.12 1.36 3.32 -1.43 -3.46 116.42 120.10 1j0e h ASP 194 Ca -0.25 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 56.40 1j0e h ASP 194 Cb 1.10 -0.17 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 1j0e h ASP 194 CO 0.88 0.94 -0.58 -0.54 -1.72 0.00 0.00 179.24 178.21 1j0e s LYS 195 N -4.28 0.58 -0.13 3.56 -0.14 -1.21 -4.67 119.74 113.44 1j0e s LYS 195 Ca -0.08 -0.89 0.01 0.00 -1.36 0.00 0.00 55.97 53.65 1j0e s LYS 195 Cb 0.12 0.22 0.02 0.00 -1.68 0.00 0.00 37.83 36.51 1j0e s LYS 195 CO 0.82 -0.13 -0.14 0.42 -0.76 0.00 0.00 175.35 175.56 1j0e s ILE 196 N -2.96 1.49 -0.20 2.17 1.01 -0.06 0.10 121.20 122.74 1j0e s ILE 196 Ca -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1j0e s ILE 196 Cb 0.01 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1j0e s ILE 196 CO -0.06 0.44 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 1j0e s VAL 197 N 1.29 3.63 -0.00 2.92 1.01 0.87 -0.31 120.40 129.81 1j0e s VAL 197 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1j0e s VAL 197 Cb -0.14 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1j0e s VAL 197 CO -0.06 0.43 0.04 0.54 0.00 0.00 0.00 175.10 176.04 1j0e s VAL 198 N 1.15 0.05 0.62 2.92 0.11 -0.75 -0.18 120.40 124.30 1j0e s VAL 198 Ca 0.02 -0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 58.53 1j0e s VAL 198 Cb -0.15 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1j0e s VAL 198 CO 0.00 -0.21 1.07 0.00 -3.33 0.00 0.00 175.10 172.63 1j0e n VAL 201 N 4.02 0.00 1.06 0.00 0.31 -1.26 -2.47 118.33 119.99 1j0e n VAL 201 Ca -0.23 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1j0e n VAL 201 Cb 0.54 -0.02 0.59 0.00 -0.91 0.00 0.00 33.84 34.05 1j0e n VAL 201 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1j0e n THR 202 N -2.13 0.00 0.00 2.52 -2.24 -1.26 -4.77 114.28 106.40 1j0e n THR 202 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1j0e n THR 202 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1j0e n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0e n GLY 203 N 1.47 2.87 0.30 3.38 0.00 -1.26 -4.72 105.19 107.23 1j0e n GLY 203 Ca 0.08 -0.74 0.30 0.00 0.00 0.00 0.00 46.02 45.66 1j0e n GLY 203 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0e n SER 204 N 1.89 0.30 0.03 1.61 2.88 -1.26 -0.88 113.62 118.19 1j0e n SER 204 Ca 0.00 1.46 -0.13 0.00 -1.33 0.00 0.00 58.87 58.87 1j0e n SER 204 Cb 0.00 -0.71 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 1j0e n SER 204 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1j0e h THR 205 N 0.00 1.18 -0.20 2.46 2.02 -1.91 -1.08 112.91 115.38 1j0e h THR 205 Ca 0.77 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1j0e h THR 205 Cb 2.08 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 1j0e h THR 205 CO -0.66 0.19 0.00 0.74 0.37 0.00 0.00 175.52 176.16 1j0e h THR 206 N -0.39 1.25 -0.43 3.16 2.02 -1.40 -2.25 112.91 114.87 1j0e h THR 206 Ca -0.01 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1j0e h THR 206 Cb 0.36 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1j0e h THR 206 CO 0.01 0.26 0.15 0.00 0.37 0.00 0.00 175.52 176.31 1j0e h ALA 207 N 0.79 0.51 -0.22 6.16 0.00 -1.06 0.29 119.26 125.74 1j0e h ALA 207 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j0e h ALA 207 Cb 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1j0e h ALA 207 CO 0.01 -0.24 0.01 0.78 0.00 0.00 0.00 179.25 179.81 1j0e h GLY 208 N 0.31 0.34 1.60 0.00 0.00 -1.13 -0.32 103.07 103.87 1j0e h GLY 208 Ca 0.20 -0.17 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 1j0e h GLY 208 CO -0.21 0.16 -0.95 -2.22 0.00 0.00 0.00 176.54 173.33 1j0e h ILE 209 N 0.32 1.43 0.63 2.60 2.04 -0.61 -1.51 117.51 122.40 1j0e h ILE 209 Ca 0.07 -2.53 -0.03 0.00 1.00 0.00 0.00 64.86 63.37 1j0e h ILE 209 Cb 0.20 2.47 0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1j0e h ILE 209 CO 0.00 0.75 -0.30 -0.07 0.00 0.00 0.00 178.15 178.53 1j0e h LEU 210 N 0.19 -0.72 -0.49 1.44 3.38 0.37 -0.14 115.31 119.34 1j0e h LEU 210 Ca -0.08 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1j0e h LEU 210 Cb 1.59 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.44 1j0e h LEU 210 CO 0.16 -0.46 -0.08 0.00 0.09 0.00 0.00 178.44 178.16 1j0e h ALA 211 N -1.50 0.37 -0.66 1.53 0.00 -1.20 -0.47 119.26 117.34 1j0e h ALA 211 Ca -0.09 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1j0e h ALA 211 Cb 0.65 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1j0e h ALA 211 CO 0.14 -0.43 0.25 0.78 0.00 0.00 0.00 179.25 180.00 1j0e h GLY 212 N 0.04 0.95 2.00 0.00 0.00 -1.21 0.28 103.07 105.13 1j0e h GLY 212 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1j0e h GLY 212 CO -0.47 -0.04 -0.06 -0.33 0.00 0.00 0.00 176.54 175.64 1j0e h MET 213 N 0.42 0.00 0.00 4.80 2.86 0.05 -2.92 114.93 120.13 1j0e h MET 213 Ca 0.34 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1j0e h MET 213 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1j0e h MET 213 CO -0.34 0.06 -0.17 0.00 1.06 0.00 0.00 176.91 177.52 1j0e h ALA 214 N 1.94 1.30 0.00 6.32 0.00 0.64 0.40 119.26 129.86 1j0e h ALA 214 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1j0e h ALA 214 Cb 0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1j0e h ALA 214 CO 0.01 0.21 -0.03 1.96 0.00 0.00 0.00 179.25 181.40 1j0e h GLN 215 N 0.00 0.00 -0.13 0.00 4.20 -1.41 -1.87 115.11 115.90 1j0e h GLN 215 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j0e h GLN 215 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1j0e h GLN 215 CO 0.02 0.03 0.00 0.66 -0.67 0.00 0.00 178.83 178.87 1j0e n TYR 216 N -3.25 0.27 -2.54 2.96 4.01 -0.60 -4.97 117.16 113.04 1j0e n TYR 216 Ca -0.02 -0.67 -0.19 0.00 -0.16 0.00 0.00 57.90 56.87 1j0e n TYR 216 Cb 0.19 -0.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1j0e n TYR 216 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j0e n GLY 217 N -0.44 -0.50 0.41 2.72 0.00 -0.70 -4.88 105.19 101.79 1j0e n GLY 217 Ca 0.10 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1j0e n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j0e n ARG 218 N -3.14 1.56 0.28 1.61 1.74 0.03 -4.77 116.66 113.97 1j0e n ARG 218 Ca -0.20 -2.92 0.13 0.00 -0.77 0.00 0.00 57.85 54.10 1j0e n ARG 218 Cb 0.66 -1.59 0.82 0.00 -1.02 0.00 0.00 32.46 31.33 1j0e n ARG 218 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1j0e h GLN 219 N 0.58 0.00 0.00 5.56 -0.00 -1.83 -0.92 115.11 118.50 1j0e h GLN 219 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1j0e h GLN 219 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 1j0e h GLN 219 CO 0.05 0.02 0.00 -0.25 -0.00 0.00 0.00 178.83 178.65 1j0e n ASP 220 N -3.99 0.30 0.24 0.06 9.92 -1.26 -1.70 116.55 120.11 1j0e n ASP 220 Ca -0.03 0.59 0.16 0.00 -0.53 0.00 0.00 54.79 54.97 1j0e n ASP 220 Cb 0.10 -0.64 0.57 0.00 -0.64 0.00 0.00 41.12 40.51 1j0e n ASP 220 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1j0e h ASP 221 N 0.00 0.00 -3.19 -2.24 5.19 -1.43 -3.44 116.42 111.31 1j0e h ASP 221 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1j0e h ASP 221 Cb 0.24 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.68 1j0e h ASP 221 CO 0.00 0.00 0.62 -0.69 -3.12 0.00 0.00 179.24 176.05 1j0e s VAL 222 N -3.52 4.76 -0.30 -1.35 1.01 -0.69 -0.88 120.40 119.43 1j0e s VAL 222 Ca 0.03 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1j0e s VAL 222 Cb 0.09 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.32 1j0e s VAL 222 CO 0.54 -0.11 -0.02 -0.63 0.00 0.00 0.00 175.10 174.88 1j0e s ILE 223 N 2.89 2.42 -0.04 2.22 1.01 0.58 -4.26 121.20 126.02 1j0e s ILE 223 Ca 0.40 -1.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 1j0e s ILE 223 Cb -0.15 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1j0e s ILE 223 CO 0.08 -0.25 0.33 0.00 0.00 0.00 0.00 174.94 175.10 1j0e s ALA 224 N 1.07 3.75 -0.27 9.38 0.00 0.38 -1.82 121.76 134.25 1j0e s ALA 224 Ca -0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1j0e s ALA 224 Cb -0.20 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1j0e s ALA 224 CO -0.05 0.51 0.03 0.42 0.00 0.00 0.00 175.76 176.67 1j0e s ILE 225 N -1.02 3.64 0.52 0.00 -1.09 -0.10 -0.20 121.20 122.96 1j0e s ILE 225 Ca 0.21 -0.70 -0.21 0.00 -2.23 0.00 0.00 60.65 57.71 1j0e s ILE 225 Cb -0.15 -2.82 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1j0e s ILE 225 CO 0.10 0.18 1.24 -0.62 -1.23 0.00 0.00 174.94 174.62 1j0e s ASP 226 N 1.46 5.62 0.00 3.58 2.15 -0.05 -1.31 116.67 128.12 1j0e s ASP 226 Ca 0.03 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.49 1j0e s ASP 226 Cb -0.16 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 1j0e s ASP 226 CO -0.00 -1.31 0.02 0.00 -0.17 0.00 0.00 175.17 173.72 1j0e n ALA 227 N -0.94 0.05 0.03 3.66 0.00 -1.03 -3.92 120.51 118.36 1j0e n ALA 227 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 1j0e n ALA 227 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 1j0e n ALA 227 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j0e h SER 228 N 0.00 0.00 -1.07 0.00 4.64 -1.90 -3.39 113.55 111.83 1j0e h SER 228 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1j0e h SER 228 Cb 0.53 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.52 1j0e h SER 228 CO 0.00 0.76 -0.30 0.33 -0.87 0.00 0.00 176.83 176.74 1j0e n PHE 229 N -3.05 -0.18 -2.33 4.77 7.35 -1.26 -3.67 117.46 119.09 1j0e n PHE 229 Ca -0.09 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.56 1j0e n PHE 229 Cb 0.90 -2.74 0.06 0.00 0.35 0.00 0.00 39.48 38.05 1j0e n PHE 229 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1j0e n THR 230 N -2.95 1.51 -0.03 -2.13 -2.24 -1.26 -4.92 114.28 102.26 1j0e n THR 230 Ca -0.16 -2.92 -0.00 0.00 -2.27 0.00 0.00 64.05 58.70 1j0e n THR 230 Cb 0.52 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1j0e n THR 230 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1j0e n SER 231 N -0.49 -0.05 0.26 3.42 2.88 -1.26 -1.10 113.62 117.28 1j0e n SER 231 Ca 0.19 0.14 -0.17 0.00 -1.33 0.00 0.00 58.87 57.70 1j0e n SER 231 Cb 0.90 -0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 64.24 1j0e n SER 231 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1j0e h GLU 232 N 0.00 -0.89 -0.29 -1.46 3.07 -2.00 -1.05 114.58 111.97 1j0e h GLU 232 Ca 0.03 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1j0e h GLU 232 Cb 0.05 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1j0e h GLU 232 CO -0.08 -0.59 0.05 1.57 -1.40 0.00 0.00 179.01 178.56 1j0e h LYS 233 N -0.92 0.42 0.10 2.33 2.10 -1.55 -1.48 116.57 117.56 1j0e h LYS 233 Ca -0.04 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1j0e h LYS 233 Cb 0.82 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1j0e h LYS 233 CO -0.09 0.40 -0.06 1.15 -2.00 0.00 0.00 179.45 178.85 1j0e h THR 234 N 0.41 0.86 -0.64 0.07 2.02 -1.20 0.21 112.91 114.65 1j0e h THR 234 Ca 0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1j0e h THR 234 Cb 0.19 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1j0e h THR 234 CO -0.00 0.00 0.40 0.50 0.37 0.00 0.00 175.52 176.79 1j0e h LYS 235 N -0.16 0.77 -0.64 6.66 3.64 -0.63 0.95 116.57 127.16 1j0e h LYS 235 Ca -0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1j0e h LYS 235 Cb 0.14 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1j0e h LYS 235 CO 0.01 0.51 0.09 1.05 -2.27 0.00 0.00 179.45 178.83 1j0e h GLU 236 N 0.79 1.06 -0.25 1.90 -0.00 -0.98 -1.44 114.58 115.66 1j0e h GLU 236 Ca 0.25 -0.29 -0.19 0.00 -0.00 0.00 0.00 59.36 59.14 1j0e h GLU 236 Cb -0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.62 1j0e h GLU 236 CO -0.09 0.98 -0.59 0.37 -0.00 0.00 0.00 179.01 179.68 1j0e h GLN 237 N 0.99 0.81 0.04 1.06 4.15 -0.58 -2.51 115.11 119.06 1j0e h GLN 237 Ca 0.19 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 1j0e h GLN 237 Cb 0.45 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1j0e h GLN 237 CO 0.01 1.16 -0.02 1.15 -1.93 0.00 0.00 178.83 179.21 1j0e h THR 238 N 0.61 1.02 -0.24 2.39 2.02 -0.64 -2.04 112.91 116.02 1j0e h THR 238 Ca 0.00 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.05 1j0e h THR 238 Cb 1.19 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1j0e h THR 238 CO 0.13 0.05 -0.12 -0.07 0.37 0.00 0.00 175.52 175.88 1j0e h LEU 239 N -0.13 -0.39 -1.06 2.58 4.07 -1.28 0.42 115.31 119.51 1j0e h LEU 239 Ca -0.01 0.10 0.11 0.00 0.08 0.00 0.00 57.88 58.16 1j0e h LEU 239 Cb 0.12 0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 1j0e h LEU 239 CO 0.01 -0.15 0.62 -0.09 -1.08 0.00 0.00 178.44 177.75 1j0e h ARG 240 N -0.09 0.96 -0.05 1.13 2.43 -1.31 0.13 114.38 117.60 1j0e h ARG 240 Ca 0.13 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.04 1j0e h ARG 240 Cb 0.28 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1j0e h ARG 240 CO -0.30 0.64 -0.77 0.82 -1.51 0.00 0.00 179.97 178.85 1j0e h ILE 241 N 0.99 1.34 -0.46 1.20 2.04 -0.60 -1.38 117.51 120.64 1j0e h ILE 241 Ca 0.47 -2.07 0.06 0.00 1.00 0.00 0.00 64.86 64.32 1j0e h ILE 241 Cb 0.43 2.34 -0.06 0.00 -0.74 0.00 0.00 36.82 38.80 1j0e h ILE 241 CO -0.23 0.63 0.14 0.00 0.00 0.00 0.00 178.15 178.69 1j0e h ALA 242 N 0.42 0.54 -0.03 1.87 0.00 0.80 0.26 119.26 123.11 1j0e h ALA 242 Ca -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j0e h ALA 242 Cb 1.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1j0e h ALA 242 CO 0.15 -0.25 -0.02 -0.91 0.00 0.00 0.00 179.25 178.22 1j0e h ASN 243 N 0.30 0.08 -0.89 0.00 2.35 -0.79 0.28 115.58 116.90 1j0e h ASN 243 Ca 0.22 -0.42 0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1j0e h ASN 243 Cb 0.24 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.52 1j0e h ASN 243 CO -0.24 0.48 0.54 0.78 -1.65 0.00 0.00 177.43 177.34 1j0e h ASN 244 N -0.33 0.82 0.21 5.81 2.35 -1.02 -1.59 115.58 121.83 1j0e h ASN 244 Ca 0.01 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 1j0e h ASN 244 Cb 0.45 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1j0e h ASN 244 CO 0.01 0.48 -0.64 0.74 -1.65 0.00 0.00 177.43 176.37 1j0e h THR 245 N 0.93 1.36 -0.48 2.81 2.02 -0.39 -2.83 112.91 116.33 1j0e h THR 245 Ca 0.42 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1j0e h THR 245 Cb 0.31 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1j0e h THR 245 CO -0.22 0.60 0.32 0.00 0.37 0.00 0.00 175.52 176.59 1j0e h ALA 246 N 1.02 0.61 0.19 6.16 0.00 0.47 -2.84 119.26 124.86 1j0e h ALA 246 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j0e h ALA 246 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1j0e h ALA 246 CO 0.11 0.06 -0.09 0.87 0.00 0.00 0.00 179.25 180.20 1j0e h LYS 247 N 0.65 -0.25 -1.00 0.00 1.57 -1.30 0.20 116.57 116.45 1j0e h LYS 247 Ca 0.18 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 59.27 1j0e h LYS 247 Cb -0.07 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.15 1j0e h LYS 247 CO -0.04 -0.15 0.56 -0.07 -0.57 0.00 0.00 179.45 179.19 1j0e h LEU 248 N -0.28 0.55 -1.06 2.94 3.38 -1.27 0.10 115.31 119.67 1j0e h LEU 248 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1j0e h LEU 248 Cb 0.21 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j0e h LEU 248 CO 0.04 -0.06 -0.22 2.30 0.09 0.00 0.00 178.44 180.59 1j0e n ILE 249 N -5.01 0.00 -0.54 1.22 -5.35 -1.11 -4.95 119.36 103.63 1j0e n ILE 249 Ca 0.30 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1j0e n ILE 249 Cb 0.90 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 1j0e n ILE 249 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0e n GLY 250 N 1.34 0.78 3.70 3.28 0.00 0.35 -0.59 105.19 114.04 1j0e n GLY 250 Ca 0.13 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 1j0e n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j0e s VAL 251 N -2.00 5.12 -0.34 1.61 1.01 0.65 -4.21 120.40 122.25 1j0e s VAL 251 Ca 0.00 1.09 0.21 0.00 0.00 0.00 0.00 61.98 63.28 1j0e s VAL 251 Cb 0.00 -3.89 0.21 0.00 0.00 0.00 0.00 36.38 32.70 1j0e s VAL 251 CO 0.00 0.26 1.45 -0.33 0.00 0.00 0.00 175.10 176.48 1j0e h GLU 252 N 6.94 0.00 -6.59 2.72 5.08 -1.96 -3.35 114.58 117.41 1j0e h GLU 252 Ca -0.39 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.39 1j0e h GLU 252 Cb 1.17 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.58 1j0e h GLU 252 CO 0.76 0.11 -0.10 1.58 -1.00 0.00 0.00 179.01 180.36 1j0e n HIS 253 N -3.05 0.26 -4.06 4.33 -0.00 -1.26 -4.98 115.22 106.46 1j0e n HIS 253 Ca 0.02 0.50 -0.33 0.00 0.46 0.00 0.00 57.72 58.38 1j0e n HIS 253 Cb 0.59 -2.09 -0.15 0.00 -0.12 0.00 0.00 29.99 28.22 1j0e n HIS 253 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1j0e s GLU 254 N -2.14 2.55 -0.34 1.57 2.12 -1.26 -4.93 118.70 116.28 1j0e s GLU 254 Ca 0.68 -1.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 1j0e s GLU 254 Cb -0.50 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1j0e s GLU 254 CO 0.54 -0.44 1.07 -0.06 -0.54 0.00 0.00 175.26 175.82 1j0e s PHE 255 N 1.19 3.12 -0.07 5.30 0.40 -1.26 -4.83 117.98 121.83 1j0e s PHE 255 Ca -0.03 1.12 0.15 0.00 -0.60 0.00 0.00 56.93 57.57 1j0e s PHE 255 Cb -0.17 -3.75 -0.23 0.00 0.51 0.00 0.00 43.02 39.38 1j0e s PHE 255 CO -0.07 -0.81 0.35 1.63 0.70 0.00 0.00 175.22 177.02 1j0e n LYS 256 N 6.94 0.58 -3.74 0.44 5.02 -1.26 -4.90 118.16 121.23 1j0e n LYS 256 Ca 0.11 -0.13 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1j0e n LYS 256 Cb 0.47 -1.35 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 1j0e n LYS 256 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1j0e s ASP 257 N -3.65 -0.15 0.01 4.39 2.15 -1.26 -5.11 116.67 113.04 1j0e s ASP 257 Ca -0.05 -0.39 -0.28 0.00 0.43 0.00 0.00 52.55 52.27 1j0e s ASP 257 Cb 0.10 0.45 0.09 0.00 -0.30 0.00 0.00 42.92 43.25 1j0e s ASP 257 CO 0.63 -0.83 0.77 0.72 -0.17 0.00 0.00 175.17 176.29 1j0e s PHE 258 N -3.11 -0.49 -0.46 -5.34 -0.12 -1.26 -5.11 117.98 102.09 1j0e s PHE 258 Ca 0.13 0.56 -0.27 0.00 -0.05 0.00 0.00 56.93 57.29 1j0e s PHE 258 Cb -0.01 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1j0e s PHE 258 CO 0.02 -0.62 1.84 0.99 -0.05 0.00 0.00 175.22 177.40 1j0e s THR 259 N -2.46 3.42 -0.38 -4.49 2.01 -1.26 -4.94 115.64 107.54 1j0e s THR 259 Ca -0.02 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.37 1j0e s THR 259 Cb -0.01 -3.77 0.11 0.00 0.01 0.00 0.00 72.50 68.84 1j0e s THR 259 CO -0.03 -0.63 0.12 -0.22 -0.69 0.00 0.00 174.62 173.17 1j0e s LEU 260 N 8.03 3.85 0.08 4.42 2.96 -1.26 -0.47 118.68 136.30 1j0e s LEU 260 Ca 0.74 -2.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.08 1j0e s LEU 260 Cb -0.17 -1.38 -0.06 0.00 0.50 0.00 0.00 46.19 45.07 1j0e s LEU 260 CO 0.28 -0.35 1.17 -0.62 -1.32 0.00 0.00 176.35 175.51 1j0e s ASP 261 N 0.77 7.12 -0.13 3.68 -1.08 0.72 -4.84 116.67 122.91 1j0e s ASP 261 Ca 0.13 2.02 0.19 0.00 -0.52 0.00 0.00 52.55 54.37 1j0e s ASP 261 Cb -0.21 -2.58 0.30 0.00 -1.46 0.00 0.00 42.92 38.97 1j0e s ASP 261 CO -0.09 -0.42 1.16 0.35 0.52 0.00 0.00 175.17 176.69 1j0e n THR 262 N 3.60 1.91 1.27 1.71 -2.24 -1.26 -0.87 114.28 118.40 1j0e n THR 262 Ca 0.08 -2.32 0.06 0.00 -2.27 0.00 0.00 64.05 59.59 1j0e n THR 262 Cb 0.46 -0.24 0.20 0.00 -2.10 0.00 0.00 70.33 68.65 1j0e n THR 262 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j0e n ARG 263 N -1.42 1.56 0.00 -0.78 1.74 -1.26 -4.15 116.66 112.35 1j0e n ARG 263 Ca 0.16 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 1j0e n ARG 263 Cb 0.64 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1j0e n ARG 263 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1j0e n PHE 264 N 0.17 0.00 0.33 -1.55 3.72 -1.26 -4.78 117.46 114.09 1j0e n PHE 264 Ca 0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 1j0e n PHE 264 Cb 0.22 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.19 1j0e n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j0e h ALA 265 N 0.00 1.00 -2.61 4.37 0.00 -1.72 -3.46 119.26 116.83 1j0e h ALA 265 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1j0e h ALA 265 Cb 0.27 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.20 1j0e h ALA 265 CO 0.00 0.00 0.39 1.52 0.00 0.00 0.00 179.25 181.16 1j0e s TYR 266 N -3.36 2.21 -0.99 0.00 1.13 -1.26 -2.35 117.35 112.73 1j0e s TYR 266 Ca 0.05 1.59 0.25 0.00 -1.41 0.00 0.00 57.07 57.55 1j0e s TYR 266 Cb 0.08 -3.38 1.05 0.00 -1.10 0.00 0.00 41.96 38.61 1j0e s TYR 266 CO 0.58 -2.33 1.79 -0.35 -2.51 0.00 0.00 175.55 172.72 1j0e n PRO 267 N -2.63 0.00 0.00 -3.49 -0.04 -1.26 -4.17 135.00 123.42 1j0e n PRO 267 Ca 0.12 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1j0e n PRO 267 Cb 0.51 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1j0e n PRO 267 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0e n TYR 269 N -0.64 1.81 0.00 0.00 9.36 -1.24 -2.06 117.16 124.38 1j0e n TYR 269 Ca 0.00 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1j0e n TYR 269 Cb 0.00 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.33 1j0e n TYR 269 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1j0e n GLY 270 N 1.98 2.89 3.57 2.98 0.00 -1.26 -4.68 105.19 110.68 1j0e n GLY 270 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1j0e n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j0e s VAL 271 N -0.82 4.96 0.46 1.61 1.01 -0.87 -4.53 120.40 122.22 1j0e s VAL 271 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1j0e s VAL 271 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 1j0e s VAL 271 CO 0.00 0.33 0.90 -2.16 0.00 0.00 0.00 175.10 174.17 1j0e s PRO 272 N 1.36 3.95 0.44 2.72 0.04 -1.25 -4.11 135.00 138.16 1j0e s PRO 272 Ca 0.06 0.82 0.08 0.00 0.04 0.00 0.00 61.00 62.00 1j0e s PRO 272 Cb -0.15 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 1j0e s PRO 272 CO 0.06 -0.13 0.43 0.54 0.04 0.00 0.00 177.00 177.94 1j0e s ASN 273 N -2.89 5.07 0.44 6.66 4.22 -1.26 -4.78 114.94 122.41 1j0e s ASN 273 Ca 0.57 -0.77 0.16 0.00 -2.14 0.00 0.00 52.86 50.68 1j0e s ASN 273 Cb -0.10 -0.41 1.08 0.00 1.28 0.00 0.00 41.25 43.10 1j0e s ASN 273 CO 0.27 -0.76 1.94 -0.33 -2.04 0.00 0.00 177.10 176.18 1j0e h GLU 274 N 0.90 0.36 -0.45 3.55 5.08 -1.98 -0.51 114.58 121.52 1j0e h GLU 274 Ca -0.40 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1j0e h GLU 274 Cb 1.27 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1j0e h GLU 274 CO 0.55 0.24 0.18 0.78 -1.00 0.00 0.00 179.01 179.76 1j0e h GLY 275 N 0.37 0.72 0.74 -3.84 0.00 -1.98 0.63 103.07 99.71 1j0e h GLY 275 Ca 0.34 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1j0e h GLY 275 CO -0.10 0.37 -0.27 -0.84 0.00 0.00 0.00 176.54 175.71 1j0e h THR 276 N 0.58 0.44 -0.91 4.70 2.02 -1.42 0.37 112.91 118.69 1j0e h THR 276 Ca 0.15 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.49 1j0e h THR 276 Cb 0.19 0.44 -0.10 0.00 -1.74 0.00 0.00 68.15 66.94 1j0e h THR 276 CO -0.01 0.00 0.51 0.40 0.37 0.00 0.00 175.52 176.79 1j0e h ILE 277 N -0.59 0.74 -0.20 3.11 1.08 -1.09 0.29 117.51 120.86 1j0e h ILE 277 Ca -0.02 -0.24 -0.14 0.00 -0.39 0.00 0.00 64.86 64.06 1j0e h ILE 277 Cb 0.53 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 1j0e h ILE 277 CO -0.03 0.13 -0.48 -0.33 -0.69 0.00 0.00 178.15 176.75 1j0e h GLU 278 N 0.71 0.52 0.39 2.37 5.08 -0.21 -2.12 114.58 121.33 1j0e h GLU 278 Ca 0.50 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1j0e h GLU 278 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1j0e h GLU 278 CO -0.36 0.89 -0.19 0.00 -1.00 0.00 0.00 179.01 178.36 1j0e h ALA 279 N 1.06 -0.52 -0.74 3.43 0.00 0.24 -0.28 119.26 122.45 1j0e h ALA 279 Ca 0.02 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1j0e h ALA 279 Cb 1.00 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1j0e h ALA 279 CO 0.09 -0.75 0.31 0.82 0.00 0.00 0.00 179.25 179.72 1j0e h ILE 280 N -0.62 0.69 -0.33 0.00 2.04 -0.51 -1.06 117.51 117.73 1j0e h ILE 280 Ca -0.05 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1j0e h ILE 280 Cb 0.45 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1j0e h ILE 280 CO 0.09 0.09 0.04 0.03 0.00 0.00 0.00 178.15 178.39 1j0e h ARG 281 N 0.47 0.55 0.17 2.37 2.47 -1.22 -1.29 114.38 117.90 1j0e h ARG 281 Ca 0.40 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1j0e h ARG 281 Cb 0.58 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1j0e h ARG 281 CO -0.38 0.65 -0.08 1.15 0.56 0.00 0.00 179.97 181.87 1j0e h THR 282 N 0.37 0.84 -0.03 2.04 2.02 -0.44 0.34 112.91 118.05 1j0e h THR 282 Ca 0.10 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1j0e h THR 282 Cb 0.38 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1j0e h THR 282 CO 0.01 0.01 -0.02 0.00 0.37 0.00 0.00 175.52 175.88 1j0e h ALA 284 N 1.00 0.70 -0.19 0.00 0.00 -1.06 0.47 119.26 120.18 1j0e h ALA 284 Ca 0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1j0e h ALA 284 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1j0e h ALA 284 CO -0.04 0.09 -0.50 0.93 0.00 0.00 0.00 179.25 179.73 1j0e h GLU 285 N 0.70 0.52 0.15 0.00 5.08 -0.20 -0.59 114.58 120.25 1j0e h GLU 285 Ca 0.21 -0.30 -0.29 0.00 -1.00 0.00 0.00 59.36 57.98 1j0e h GLU 285 Cb -0.03 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1j0e h GLU 285 CO -0.07 0.90 -1.44 1.96 -1.00 0.00 0.00 179.01 179.36 1j0e h GLN 286 N 0.41 0.33 0.00 2.33 1.08 -0.73 -3.42 115.11 115.11 1j0e h GLN 286 Ca 0.02 -0.56 -0.11 0.00 -1.45 0.00 0.00 58.65 56.55 1j0e h GLN 286 Cb 1.02 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 1j0e h GLN 286 CO 0.09 1.27 -1.64 0.39 -0.95 0.00 0.00 178.83 177.99 1j0e n GLU 287 N -3.84 1.40 -0.56 1.46 -0.58 0.16 -4.58 120.64 114.11 1j0e n GLU 287 Ca -0.23 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 1j0e n GLU 287 Cb 0.96 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.56 1j0e n GLU 287 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j0e n GLY 288 N 2.12 0.68 3.70 0.62 0.00 -0.23 -5.02 105.19 107.06 1j0e n GLY 288 Ca -0.11 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1j0e n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j0e s VAL 289 N -2.00 4.74 -0.16 1.61 1.01 -1.26 -4.98 120.40 119.36 1j0e s VAL 289 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1j0e s VAL 289 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1j0e s VAL 289 CO 0.00 0.55 0.11 -0.76 0.00 0.00 0.00 175.10 174.99 1j0e s LEU 290 N -0.37 4.12 0.19 3.92 1.43 -1.26 -2.81 118.68 123.90 1j0e s LEU 290 Ca 0.09 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 1j0e s LEU 290 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1j0e s LEU 290 CO 0.02 0.27 -0.17 0.42 0.23 0.00 0.00 176.35 177.12 1j0e s THR 291 N -0.21 1.86 0.34 5.49 -4.23 -1.26 -4.78 115.64 112.84 1j0e s THR 291 Ca 0.10 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 1j0e s THR 291 Cb -0.12 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1j0e s THR 291 CO 0.01 -0.40 0.41 1.51 -0.54 0.00 0.00 174.62 175.62 1j0e s ASP 292 N -2.91 5.73 0.24 3.99 -4.77 -1.26 -4.78 116.67 112.91 1j0e s ASP 292 Ca 0.19 -0.30 0.24 0.00 -3.30 0.00 0.00 52.55 49.38 1j0e s ASP 292 Cb -0.04 -1.13 0.93 0.00 -1.09 0.00 0.00 42.92 41.59 1j0e s ASP 292 CO 0.07 -0.41 1.73 -2.65 0.70 0.00 0.00 175.17 174.61 1j0e n PRO 293 N -1.56 0.21 -0.08 2.11 -0.02 -1.26 -0.34 135.00 134.06 1j0e n PRO 293 Ca -0.00 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 1j0e n PRO 293 Cb 0.59 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 1j0e n PRO 293 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1j0e n VAL 294 N -2.24 1.45 0.00 -1.45 0.31 -1.26 -3.74 118.33 111.40 1j0e n VAL 294 Ca 0.03 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1j0e n VAL 294 Cb 0.29 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 1j0e n VAL 294 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1j0e n PHE 295 N -4.56 0.00 0.32 3.52 3.01 -1.26 -4.61 117.46 113.88 1j0e n PHE 295 Ca -0.14 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.53 1j0e n PHE 295 Cb 0.38 0.00 1.05 0.00 -0.01 0.00 0.00 39.48 40.90 1j0e n PHE 295 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1j0e h GLU 296 N 0.00 0.00 -0.34 -1.08 4.39 -1.84 -2.04 114.58 113.67 1j0e h GLU 296 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1j0e h GLU 296 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1j0e h GLU 296 CO 0.00 0.01 -0.43 0.78 -1.16 0.00 0.00 179.01 178.21 1j0e h GLY 297 N 0.51 0.98 0.48 -3.84 0.00 -0.99 -1.59 103.07 98.63 1j0e h GLY 297 Ca -0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.26 1j0e h GLY 297 CO 0.00 0.95 -0.04 0.50 0.00 0.00 0.00 176.54 177.95 1j0e h LYS 298 N 0.70 0.06 -0.41 4.80 1.57 -1.58 -1.09 116.57 120.62 1j0e h LYS 298 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1j0e h LYS 298 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1j0e h LYS 298 CO 0.10 0.61 0.18 0.66 -0.57 0.00 0.00 179.45 180.43 1j0e h SER 299 N -0.48 0.52 0.59 0.86 4.64 -1.50 0.12 113.55 118.30 1j0e h SER 299 Ca 0.00 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1j0e h SER 299 Cb 0.61 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1j0e h SER 299 CO 0.01 0.47 -0.55 -0.03 -0.87 0.00 0.00 176.83 175.86 1j0e h MET 300 N 0.58 0.00 -0.20 4.77 1.85 -1.28 -0.52 114.93 120.13 1j0e h MET 300 Ca 0.14 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.19 1j0e h MET 300 Cb 0.10 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1j0e h MET 300 CO -0.02 0.55 -0.06 0.37 -0.40 0.00 0.00 176.91 177.35 1j0e h GLN 301 N 0.00 0.40 -0.28 0.39 4.15 0.31 -1.98 115.11 118.10 1j0e h GLN 301 Ca -0.01 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1j0e h GLN 301 Cb 0.99 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1j0e h GLN 301 CO 0.07 0.66 0.18 0.78 -1.93 0.00 0.00 178.83 178.60 1j0e h GLY 302 N 0.12 0.39 0.51 2.39 0.00 -0.54 -1.45 103.07 104.49 1j0e h GLY 302 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.30 1j0e h GLY 302 CO 0.02 0.15 0.15 -2.00 0.00 0.00 0.00 176.54 174.86 1j0e h LEU 303 N 0.37 0.13 -0.69 3.11 7.12 -1.01 0.03 115.31 124.37 1j0e h LEU 303 Ca 0.10 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 1j0e h LEU 303 Cb -0.04 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.12 1j0e h LEU 303 CO -0.02 0.10 0.32 0.40 -0.13 0.00 0.00 178.44 179.11 1j0e h ILE 304 N 0.31 1.23 0.11 4.05 2.04 -1.01 -1.23 117.51 123.01 1j0e h ILE 304 Ca 0.23 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1j0e h ILE 304 Cb 0.26 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1j0e h ILE 304 CO -0.25 0.28 -0.05 0.00 0.00 0.00 0.00 178.15 178.12 1j0e h ALA 305 N 1.15 -0.15 -0.66 1.87 0.00 -0.63 -1.25 119.26 119.60 1j0e h ALA 305 Ca 0.24 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1j0e h ALA 305 Cb 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1j0e h ALA 305 CO -0.03 -0.49 0.27 -0.07 0.00 0.00 0.00 179.25 178.93 1j0e h LEU 306 N -0.33 0.29 -0.58 0.00 4.07 -0.90 -0.84 115.31 117.01 1j0e h LEU 306 Ca -0.02 0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1j0e h LEU 306 Cb 0.27 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1j0e h LEU 306 CO 0.02 0.16 0.12 0.40 -1.08 0.00 0.00 178.44 178.07 1j0e h ILE 307 N 0.46 1.25 -0.24 1.22 2.04 -1.12 -1.99 117.51 119.14 1j0e h ILE 307 Ca 0.34 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1j0e h ILE 307 Cb 0.42 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1j0e h ILE 307 CO -0.32 0.34 0.14 0.11 0.00 0.00 0.00 178.15 178.43 1j0e h LYS 308 N 0.84 0.32 -0.33 2.37 1.57 -0.21 -2.70 116.57 118.43 1j0e h LYS 308 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1j0e h LYS 308 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1j0e h LYS 308 CO 0.01 0.25 0.00 -0.85 -0.57 0.00 0.00 179.45 178.29 1j0e n GLU 309 N -4.89 0.79 -3.32 3.15 0.28 -0.42 -4.85 120.64 111.38 1j0e n GLU 309 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.73 1j0e n GLU 309 Cb 0.05 -1.16 0.03 0.00 1.43 0.00 0.00 31.44 31.79 1j0e n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1j0e n ASP 310 N -0.25 -5.35 0.08 -1.84 8.00 -1.02 -4.87 116.55 111.30 1j0e n ASP 310 Ca 0.00 -0.42 -0.02 0.00 0.71 0.00 0.00 54.79 55.06 1j0e n ASP 310 Cb 0.08 -4.32 0.22 0.00 -0.02 0.00 0.00 41.12 37.09 1j0e n ASP 310 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1j0e h TYR 311 N -1.56 0.32 -3.26 1.24 5.03 -1.58 -3.44 116.97 113.72 1j0e h TYR 311 Ca -0.52 -0.08 -0.52 0.00 2.58 0.00 0.00 58.73 60.18 1j0e h TYR 311 Cb 1.35 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.54 1j0e h TYR 311 CO 0.57 0.63 -0.14 -0.06 -1.32 0.00 0.00 178.16 177.84 1j0e s PHE 312 N -4.21 3.47 0.47 -3.82 0.08 -1.26 -5.07 117.98 107.64 1j0e s PHE 312 Ca -0.05 0.69 -0.21 0.00 0.12 0.00 0.00 56.93 57.48 1j0e s PHE 312 Cb 0.13 -2.13 -0.08 0.00 -0.57 0.00 0.00 43.02 40.37 1j0e s PHE 312 CO 0.77 0.20 1.06 -1.59 -0.10 0.00 0.00 175.22 175.57 1j0e s LYS 313 N -3.36 3.82 0.26 0.44 0.00 -1.26 -4.95 119.74 114.70 1j0e s LYS 313 Ca 0.45 1.46 -0.29 0.00 0.00 0.00 0.00 55.97 57.58 1j0e s LYS 313 Cb -0.11 -2.21 -0.14 0.00 0.00 0.00 0.00 37.83 35.37 1j0e s LYS 313 CO 0.28 -0.43 1.08 -2.30 0.00 0.00 0.00 175.35 173.98 1j0e n PRO 314 N -0.77 1.39 -0.98 1.78 -0.02 -1.26 -1.67 135.00 133.47 1j0e n PRO 314 Ca 0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1j0e n PRO 314 Cb 0.51 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1j0e n PRO 314 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j0e n GLY 315 N 1.45 0.23 3.77 -1.23 0.00 -0.90 -4.97 105.19 103.54 1j0e n GLY 315 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1j0e n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e s ALA 316 N -1.50 3.31 -0.38 4.61 0.00 -0.67 -4.57 121.76 122.56 1j0e s ALA 316 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1j0e s ALA 316 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1j0e s ALA 316 CO 0.00 -0.92 0.38 -0.80 0.00 0.00 0.00 175.76 174.42 1j0e s ASN 317 N -0.60 6.17 -0.14 0.00 0.01 -1.26 0.49 114.94 119.61 1j0e s ASN 317 Ca 0.57 -0.50 -0.04 0.00 -0.71 0.00 0.00 52.86 52.18 1j0e s ASN 317 Cb -0.40 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1j0e s ASN 317 CO 0.52 -0.45 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.95 1j0e s VAL 318 N 2.02 4.04 -0.49 1.60 1.01 0.03 -0.94 120.40 127.67 1j0e s VAL 318 Ca 0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1j0e s VAL 318 Cb -0.17 -2.76 0.09 0.00 0.00 0.00 0.00 36.38 33.54 1j0e s VAL 318 CO 0.12 0.51 0.41 -0.22 0.00 0.00 0.00 175.10 175.92 1j0e s LEU 319 N 0.12 5.76 0.16 3.92 2.96 0.11 -0.96 118.68 130.76 1j0e s LEU 319 Ca -0.00 -1.52 -0.27 0.00 -0.22 0.00 0.00 54.13 52.11 1j0e s LEU 319 Cb -0.13 -2.16 -0.08 0.00 0.50 0.00 0.00 46.19 44.32 1j0e s LEU 319 CO 0.02 -0.70 0.85 -0.47 -1.32 0.00 0.00 176.35 174.73 1j0e s TYR 320 N 1.59 3.89 -0.38 5.38 5.04 0.11 -0.09 117.35 132.90 1j0e s TYR 320 Ca 0.04 1.72 -0.10 0.00 -2.44 0.00 0.00 57.07 56.29 1j0e s TYR 320 Cb -0.26 -2.88 0.04 0.00 0.35 0.00 0.00 41.96 39.21 1j0e s TYR 320 CO 0.05 0.41 0.20 0.08 -1.34 0.00 0.00 175.55 174.95 1j0e s VAL 321 N -0.81 4.36 -0.60 3.14 1.01 0.74 -1.06 120.40 127.17 1j0e s VAL 321 Ca 0.39 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1j0e s VAL 321 Cb -0.24 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1j0e s VAL 321 CO 0.28 -0.28 0.91 -2.28 0.00 0.00 0.00 175.10 173.73 1j0e s HIS 322 N 1.50 2.76 -2.00 5.22 2.46 -0.93 -4.61 115.29 119.69 1j0e s HIS 322 Ca 0.01 -0.39 0.28 0.00 0.47 0.00 0.00 55.06 55.44 1j0e s HIS 322 Cb -0.20 -4.13 1.68 0.00 -0.13 0.00 0.00 32.58 29.80 1j0e s HIS 322 CO 0.05 -1.47 2.02 1.28 -2.47 0.00 0.00 174.74 174.15 1j0e n LEU 323 N 7.42 0.00 0.00 8.88 4.77 -1.26 -1.95 117.00 134.85 1j0e n LEU 323 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1j0e n LEU 323 Cb 0.46 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1j0e n LEU 323 CO 0.63 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1j0e n GLY 324 N 0.76 0.71 2.17 -0.72 0.00 -1.26 -1.91 105.19 104.94 1j0e n GLY 324 Ca 0.21 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1j0e n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0e n GLY 325 N 0.00 0.83 0.26 -0.02 0.00 -1.26 -4.69 105.19 100.30 1j0e n GLY 325 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1j0e n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e h ALA 326 N 0.00 1.78 0.00 4.61 0.00 -1.91 -2.89 119.26 120.84 1j0e h ALA 326 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j0e h ALA 326 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1j0e h ALA 326 CO 0.00 0.17 0.35 -1.35 0.00 0.00 0.00 179.25 178.42 1j0e h PRO 327 N 0.16 0.00 0.00 0.00 0.11 -1.99 0.83 132.00 131.11 1j0e h PRO 327 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1j0e h PRO 327 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1j0e h PRO 327 CO 0.00 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 177.54 1j0e n ALA 328 N -1.64 2.85 -0.30 -0.75 0.00 -1.09 -3.91 120.51 115.66 1j0e n ALA 328 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1j0e n ALA 328 Cb 0.38 -1.31 0.22 0.00 0.00 0.00 0.00 19.45 18.74 1j0e n ALA 328 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1j0e h LEU 329 N 0.00 0.60 -2.41 0.00 3.38 -1.05 -0.08 115.31 115.75 1j0e h LEU 329 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j0e h LEU 329 Cb 0.54 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1j0e h LEU 329 CO 0.00 0.28 0.20 0.28 0.09 0.00 0.00 178.44 179.29 1j0e h SER 330 N 0.69 0.00 -0.13 -0.43 0.02 -1.81 1.36 113.55 113.25 1j0e h SER 330 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1j0e h SER 330 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1j0e h SER 330 CO -0.33 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.36 1j0e n ALA 331 N -1.97 2.54 -2.57 3.77 0.00 -0.04 -3.93 120.51 118.30 1j0e n ALA 331 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 1j0e n ALA 331 Cb 0.25 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.62 1j0e n ALA 331 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j0e n TYR 332 N 0.09 1.00 0.20 0.00 4.02 0.46 -4.75 117.16 118.18 1j0e n TYR 332 Ca 0.15 -1.64 0.04 0.00 -0.01 0.00 0.00 57.90 56.44 1j0e n TYR 332 Cb 0.27 -0.22 0.42 0.00 -0.02 0.00 0.00 39.34 39.79 1j0e n TYR 332 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1j0e h SER 333 N 2.00 0.02 0.22 7.72 4.64 -1.65 -2.81 113.55 123.67 1j0e h SER 333 Ca -0.10 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1j0e h SER 333 Cb 1.46 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 1j0e h SER 333 CO 0.22 0.29 -0.18 0.77 -0.87 0.00 0.00 176.83 177.06 1j0e h SER 334 N 0.01 0.00 0.06 4.97 4.64 -1.90 -2.27 113.55 119.07 1j0e h SER 334 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j0e h SER 334 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1j0e h SER 334 CO 0.04 0.18 0.00 0.49 -0.87 0.00 0.00 176.83 176.66 1j0e n PHE 335 N -4.18 0.00 -3.01 4.77 3.72 -1.06 -4.15 117.46 113.55 1j0e n PHE 335 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1j0e n PHE 335 Cb 0.25 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1j0e n PHE 335 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j0e n PHE 336 N -1.04 2.70 -1.68 1.38 3.72 -0.85 -5.02 117.46 116.67 1j0e n PHE 336 Ca 0.17 -3.91 -0.45 0.00 -0.05 0.00 0.00 57.45 53.21 1j0e n PHE 336 Cb 0.10 -0.46 -0.04 0.00 -0.94 0.00 0.00 39.48 38.14 1j0e n PHE 336 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1j0e n PRO 337 N -0.07 2.32 -1.17 -1.08 -0.02 -1.26 -4.84 135.00 128.88 1j0e n PRO 337 Ca 0.29 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 62.23 1j0e n PRO 337 Cb 0.49 -2.64 -0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1j0e n PRO 337 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1j0e n THR 338 N 3.88 0.61 -3.00 3.45 -1.04 -1.26 -4.89 114.28 112.04 1j0e n THR 338 Ca 0.18 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 1j0e n THR 338 Cb 0.31 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.77 1j0e n THR 338 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1j0e s LYS 339 N -0.90 4.18 0.11 -2.82 2.20 -1.26 -5.02 119.74 116.22 1j0e s LYS 339 Ca 0.53 0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 56.61 1j0e s LYS 339 Cb -0.58 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.02 1j0e s LYS 339 CO 0.56 -0.42 1.63 0.99 -0.36 0.00 0.00 175.35 177.76 1j0e s THR 340 N 2.51 2.85 -2.69 3.43 2.01 -1.26 -5.34 115.64 117.15 1j0e s THR 340 Ca 0.31 0.44 0.26 0.00 0.31 0.00 0.00 61.69 63.02 1j0e s THR 340 Cb -0.16 -3.28 0.41 0.00 0.01 0.00 0.00 72.50 69.49 1j0e s THR 340 CO 0.09 0.01 1.56 0.00 -0.69 0.00 0.00 174.62 175.59