#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jur s GLU 4 N 0.00 3.69 -0.18 2.12 2.12 -1.26 -5.00 118.70 120.19 3jur s GLU 4 Ca 0.00 1.53 -0.09 0.00 0.36 0.00 0.00 54.97 56.77 3jur s GLU 4 Cb 0.00 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 3jur s GLU 4 CO 0.00 -1.42 0.12 -1.21 -0.54 0.00 0.00 175.26 172.21 3jur s GLU 5 N 4.87 3.99 0.33 4.30 0.41 -1.26 -5.00 118.70 126.34 3jur s GLU 5 Ca 0.71 -0.23 0.01 0.00 -0.41 0.00 0.00 54.97 55.06 3jur s GLU 5 Cb -0.23 -3.33 0.56 0.00 -1.78 0.00 0.00 34.13 29.35 3jur s GLU 5 CO 0.30 0.39 1.96 1.25 -0.49 0.00 0.00 175.26 178.68 3jur h LEU 6 N 6.33 0.76 -1.00 1.80 5.85 -2.00 -2.77 115.31 124.28 3jur h LEU 6 Ca -0.43 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.32 3jur h LEU 6 Cb 1.17 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 3jur h LEU 6 CO 0.71 0.60 0.64 0.00 -0.34 0.00 0.00 178.44 180.05 3jur h ALA 7 N 1.53 1.40 -0.35 1.25 0.00 -1.99 0.06 119.26 121.16 3jur h ALA 7 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3jur h ALA 7 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3jur h ALA 7 CO -0.04 0.40 0.11 -0.22 0.00 0.00 0.00 179.25 179.50 3jur h LYS 8 N 1.14 0.55 -0.72 0.00 3.64 -1.92 -1.86 116.57 117.40 3jur h LYS 8 Ca 0.44 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3jur h LYS 8 Cb 0.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3jur h LYS 8 CO -0.19 0.57 0.37 0.87 -2.27 0.00 0.00 179.45 178.80 3jur h LYS 9 N 0.42 1.00 -0.25 1.90 1.79 -1.17 -0.55 116.57 119.72 3jur h LYS 9 Ca 0.11 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 3jur h LYS 9 Cb 0.25 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3jur h LYS 9 CO -0.00 0.76 -0.08 0.82 -1.08 0.00 0.00 179.45 179.86 3jur h ILE 10 N 1.01 1.29 -0.95 1.86 2.04 -0.93 -1.93 117.51 119.90 3jur h ILE 10 Ca 0.25 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3jur h ILE 10 Cb 0.06 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3jur h ILE 10 CO -0.04 0.35 0.62 -0.08 0.00 0.00 0.00 178.15 179.00 3jur h GLU 11 N 0.22 1.10 0.15 2.37 4.81 -0.99 -0.88 114.58 121.36 3jur h GLU 11 Ca 0.06 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3jur h GLU 11 Cb 0.57 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3jur h GLU 11 CO 0.03 0.73 -0.11 1.49 -0.73 0.00 0.00 179.01 180.41 3jur h GLU 12 N 1.13 -0.26 -0.50 1.92 4.57 -0.99 -1.38 114.58 119.07 3jur h GLU 12 Ca 0.40 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.64 3jur h GLU 12 Cb 0.12 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 3jur h GLU 12 CO -0.14 -0.18 0.25 1.49 -1.18 0.00 0.00 179.01 179.25 3jur h GLU 13 N -0.27 0.48 0.13 1.92 4.57 -0.77 -0.54 114.58 120.11 3jur h GLU 13 Ca -0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3jur h GLU 13 Cb 0.24 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3jur h GLU 13 CO -0.00 0.32 -0.10 0.82 -1.18 0.00 0.00 179.01 178.86 3jur h ILE 14 N 0.49 0.78 0.00 2.32 2.04 -1.08 -2.73 117.51 119.33 3jur h ILE 14 Ca 0.22 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3jur h ILE 14 Cb 0.13 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3jur h ILE 14 CO -0.16 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 177.89 3jur h LEU 15 N -0.24 0.00 -0.64 1.44 3.38 -0.87 -1.62 115.31 116.77 3jur h LEU 15 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jur h LEU 15 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3jur h LEU 15 CO -0.01 0.03 0.00 0.78 0.09 0.00 0.00 178.44 179.33 3jur h ASN 16 N 0.00 0.00 0.00 -0.43 2.35 -0.79 -3.27 115.58 113.44 3jur h ASN 16 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3jur h ASN 16 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3jur h ASN 16 CO 0.00 0.00 -0.09 1.41 -1.65 0.00 0.00 177.43 177.10 3jur n HIS 17 N -2.80 0.00 -4.80 1.19 8.25 -0.64 -4.98 115.22 111.45 3jur n HIS 17 Ca 0.03 -0.99 -0.32 0.00 -0.26 0.00 0.00 57.72 56.18 3jur n HIS 17 Cb 0.38 -0.15 -0.17 0.00 1.12 0.00 0.00 29.99 31.17 3jur n HIS 17 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3jur s VAL 18 N -2.71 1.99 -0.08 1.59 1.01 -1.03 -4.67 120.40 116.50 3jur s VAL 18 Ca 0.31 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3jur s VAL 18 Cb 0.27 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.96 3jur s VAL 18 CO 0.02 0.54 0.54 0.00 0.00 0.00 0.00 175.10 176.19 3jur s ARG 19 N 0.70 0.85 0.38 2.72 1.70 -1.26 -4.94 118.95 119.10 3jur s ARG 19 Ca -0.10 0.25 -0.26 0.00 -0.47 0.00 0.00 55.73 55.15 3jur s ARG 19 Cb -0.16 0.40 -0.12 0.00 -0.57 0.00 0.00 34.95 34.50 3jur s ARG 19 CO 0.01 -0.23 1.06 0.39 -1.08 0.00 0.00 175.30 175.46 3jur n GLU 20 N 1.46 1.50 -2.29 3.89 1.02 -1.26 -4.83 120.64 120.14 3jur n GLU 20 Ca -0.19 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.08 3jur n GLU 20 Cb 0.56 -2.06 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 3jur n GLU 20 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3jur s PRO 21 N -1.90 4.49 0.07 3.49 0.04 -1.26 -5.00 135.00 134.92 3jur s PRO 21 Ca 0.61 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 63.36 3jur s PRO 21 Cb -0.59 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.76 3jur s PRO 21 CO 0.58 -0.01 1.33 -0.65 0.04 0.00 0.00 177.00 178.30 3jur s GLN 22 N -1.55 4.35 -0.15 4.56 -1.52 -1.26 -5.03 119.66 119.07 3jur s GLN 22 Ca 0.47 1.94 0.01 0.00 -1.95 0.00 0.00 55.36 55.84 3jur s GLN 22 Cb -0.36 -3.37 0.02 0.00 -0.22 0.00 0.00 33.01 29.08 3jur s GLN 22 CO 0.47 -0.42 -0.18 0.42 -0.25 0.00 0.00 175.29 175.33 3jur s ILE 23 N 1.44 1.83 0.31 1.08 -1.09 -1.26 -4.91 121.20 118.60 3jur s ILE 23 Ca 0.62 -0.82 -0.27 0.00 -2.23 0.00 0.00 60.65 57.96 3jur s ILE 23 Cb -0.33 -1.66 -0.14 0.00 -1.58 0.00 0.00 42.46 38.75 3jur s ILE 23 CO 0.29 0.50 0.84 -2.65 -1.23 0.00 0.00 174.94 172.69 3jur n PRO 24 N 4.43 0.98 -2.43 2.79 -0.02 -1.26 -4.84 135.00 134.66 3jur n PRO 24 Ca -0.19 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.26 3jur n PRO 24 Cb 0.51 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 3jur n PRO 24 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3jur s ASP 25 N -0.72 6.13 -0.29 2.55 2.15 -1.26 -4.39 116.67 120.83 3jur s ASP 25 Ca 0.61 -1.11 -0.21 0.00 0.43 0.00 0.00 52.55 52.27 3jur s ASP 25 Cb -0.70 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 39.52 3jur s ASP 25 CO 0.59 -1.84 1.21 -0.60 -0.17 0.00 0.00 175.17 174.35 3jur s ARG 26 N 5.57 0.22 -0.05 4.34 3.52 -1.26 -5.08 118.95 126.21 3jur s ARG 26 Ca 0.51 0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 56.33 3jur s ARG 26 Cb -0.03 0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3jur s ARG 26 CO -0.04 -0.03 0.23 -1.83 -0.81 0.00 0.00 175.30 172.82 3jur s GLU 27 N 0.61 0.41 0.12 5.12 -1.05 -1.26 -0.15 118.70 122.49 3jur s GLU 27 Ca -0.01 0.06 0.07 0.00 -0.15 0.00 0.00 54.97 54.94 3jur s GLU 27 Cb -0.04 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 3jur s GLU 27 CO -0.12 -0.08 -0.16 0.08 0.95 0.00 0.00 175.26 175.93 3jur s VAL 28 N -0.52 1.44 -0.15 1.83 1.01 -0.52 -4.96 120.40 118.53 3jur s VAL 28 Ca -0.06 -1.66 -0.07 0.00 0.00 0.00 0.00 61.98 60.19 3jur s VAL 28 Cb -0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3jur s VAL 28 CO 0.01 -0.31 0.09 0.21 0.00 0.00 0.00 175.10 175.10 3jur s ASN 29 N -2.29 5.91 0.53 3.32 3.84 -1.26 -1.12 114.94 123.87 3jur s ASN 29 Ca 0.08 0.24 0.19 0.00 0.21 0.00 0.00 52.86 53.58 3jur s ASN 29 Cb -0.07 -1.94 1.34 0.00 -0.55 0.00 0.00 41.25 40.04 3jur s ASN 29 CO 0.04 0.29 2.13 0.25 -2.79 0.00 0.00 177.10 177.01 3jur h LEU 30 N 5.87 0.00 0.00 3.21 5.85 -1.65 -1.46 115.31 127.12 3jur h LEU 30 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3jur h LEU 30 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3jur h LEU 30 CO 0.65 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.93 3jur n LEU 31 N -4.44 0.00 -0.55 2.25 4.77 -1.26 -1.95 117.00 115.83 3jur n LEU 31 Ca -0.01 0.48 0.08 0.00 -0.03 0.00 0.00 56.01 56.53 3jur n LEU 31 Cb 0.18 -0.48 0.27 0.00 -2.33 0.00 0.00 43.42 41.07 3jur n LEU 31 CO 0.34 -0.24 0.70 0.47 -1.33 0.00 0.00 177.39 177.34 3jur n ASP 32 N -1.48 1.61 -1.00 -1.43 8.00 -0.55 -4.03 116.55 117.67 3jur n ASP 32 Ca 0.04 -1.83 0.05 0.00 0.71 0.00 0.00 54.79 53.76 3jur n ASP 32 Cb 0.17 -0.15 0.12 0.00 -0.02 0.00 0.00 41.12 41.23 3jur n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3jur n PHE 33 N 0.32 0.00 -0.59 1.24 3.72 -0.82 -4.99 117.46 116.35 3jur n PHE 33 Ca 0.13 -1.02 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 3jur n PHE 33 Cb 0.29 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3jur n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jur n GLY 34 N -0.37 1.01 3.78 1.37 0.00 -1.26 -4.23 105.19 105.49 3jur n GLY 34 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3jur n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jur s ALA 35 N -3.27 2.54 -0.02 4.61 0.00 -1.25 -4.99 121.76 119.39 3jur s ALA 35 Ca 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 3jur s ALA 35 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3jur s ALA 35 CO 0.00 -1.16 0.03 0.50 0.00 0.00 0.00 175.76 175.13 3jur s ARG 36 N -4.08 -0.01 -0.21 0.00 3.52 -1.26 -4.72 118.95 112.18 3jur s ARG 36 Ca 0.66 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 56.40 3jur s ARG 36 Cb -0.20 -0.14 0.24 0.00 -1.56 0.00 0.00 34.95 33.29 3jur s ARG 36 CO 0.40 -0.10 1.57 0.41 -0.81 0.00 0.00 175.30 176.78 3jur n GLY 37 N 3.73 3.27 0.26 8.12 0.00 -1.26 -4.33 105.19 114.98 3jur n GLY 37 Ca -0.21 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.36 3jur n GLY 37 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jur n ASP 38 N 0.06 0.86 -1.69 1.61 5.68 -1.20 -1.47 116.55 120.40 3jur n ASP 38 Ca 0.24 -1.17 -0.16 0.00 -0.50 0.00 0.00 54.79 53.21 3jur n ASP 38 Cb 0.84 -0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.80 3jur n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jur n GLY 39 N 1.15 0.06 0.52 6.12 0.00 -0.23 -4.80 105.19 108.00 3jur n GLY 39 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3jur n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jur n ARG 40 N -2.51 0.00 -2.25 1.61 1.74 -1.26 -4.90 116.66 109.08 3jur n ARG 40 Ca -0.18 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 3jur n ARG 40 Cb 0.62 -0.38 -0.03 0.00 -1.02 0.00 0.00 32.46 31.65 3jur n ARG 40 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3jur s THR 41 N -1.28 3.21 -0.45 0.55 2.01 -1.26 -4.97 115.64 113.46 3jur s THR 41 Ca 0.00 1.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 3jur s THR 41 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.85 3jur s THR 41 CO 0.00 0.19 1.35 -0.62 -0.69 0.00 0.00 174.62 174.84 3jur s ASP 42 N 0.03 6.38 -0.03 3.53 -1.08 -1.26 -3.80 116.67 120.44 3jur s ASP 42 Ca 0.53 0.68 0.18 0.00 -0.52 0.00 0.00 52.55 53.42 3jur s ASP 42 Cb -0.36 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.12 3jur s ASP 42 CO 0.41 -1.42 1.46 0.00 0.52 0.00 0.00 175.17 176.14 3jur h SER 44 N 3.53 -0.79 0.59 0.00 0.02 -1.90 -1.22 113.55 113.78 3jur h SER 44 Ca 0.00 0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3jur h SER 44 Cb 0.98 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 3jur h SER 44 CO 0.07 -0.26 -0.52 -0.33 -1.14 0.00 0.00 176.83 174.65 3jur h GLU 45 N -0.14 0.00 -0.17 3.45 4.39 -1.95 -2.78 114.58 117.37 3jur h GLU 45 Ca 0.21 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.92 3jur h GLU 45 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3jur h GLU 45 CO -0.53 0.52 0.06 0.77 -1.16 0.00 0.00 179.01 178.67 3jur h SER 46 N 0.00 0.08 -0.33 1.42 0.02 -1.43 0.15 113.55 113.47 3jur h SER 46 Ca -0.01 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3jur h SER 46 Cb 0.96 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3jur h SER 46 CO 0.07 0.07 0.20 -0.26 -1.14 0.00 0.00 176.83 175.77 3jur h PHE 47 N 0.15 0.38 -0.50 3.45 0.04 -1.27 -1.60 116.94 117.60 3jur h PHE 47 Ca 0.07 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3jur h PHE 47 Cb 0.04 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3jur h PHE 47 CO -0.11 0.23 0.17 -0.22 -0.60 0.00 0.00 178.31 177.78 3jur h LYS 48 N 0.41 0.77 -0.17 1.51 3.64 -1.20 -1.04 116.57 120.49 3jur h LYS 48 Ca 0.13 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 3jur h LYS 48 Cb -0.02 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3jur h LYS 48 CO -0.05 0.71 -0.61 -0.09 -2.27 0.00 0.00 179.45 177.15 3jur h ARG 49 N 0.67 0.57 -0.52 1.90 2.43 -0.95 -2.30 114.38 116.19 3jur h ARG 49 Ca 0.16 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 3jur h ARG 49 Cb 0.25 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3jur h ARG 49 CO -0.01 1.01 0.08 0.00 -1.51 0.00 0.00 179.97 179.54 3jur h ALA 50 N 0.90 0.69 -0.48 2.80 0.00 -1.08 -0.08 119.26 122.02 3jur h ALA 50 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3jur h ALA 50 Cb 1.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3jur h ALA 50 CO 0.11 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.63 3jur h ILE 51 N 0.75 1.26 -0.51 0.00 2.04 -1.18 -2.07 117.51 117.80 3jur h ILE 51 Ca 0.16 -1.05 -0.11 0.00 1.00 0.00 0.00 64.86 64.85 3jur h ILE 51 Cb 0.41 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3jur h ILE 51 CO 0.01 0.37 -0.11 -0.08 0.00 0.00 0.00 178.15 178.34 3jur h GLU 52 N 0.69 0.98 -0.71 2.37 4.57 -1.33 0.18 114.58 121.34 3jur h GLU 52 Ca 0.14 -0.37 0.02 0.00 -1.18 0.00 0.00 59.36 57.96 3jur h GLU 52 Cb 0.50 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3jur h GLU 52 CO 0.02 1.05 0.46 1.49 -1.18 0.00 0.00 179.01 180.85 3jur h GLU 53 N 0.85 0.90 -0.18 1.92 4.57 -0.94 0.16 114.58 121.86 3jur h GLU 53 Ca 0.13 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3jur h GLU 53 Cb 0.68 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3jur h GLU 53 CO 0.05 0.60 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.36 3jur h LEU 54 N 0.93 0.35 -1.41 1.64 3.38 -1.19 -3.13 115.31 115.88 3jur h LEU 54 Ca 0.27 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3jur h LEU 54 Cb -0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3jur h LEU 54 CO -0.08 0.64 0.33 -1.28 0.09 0.00 0.00 178.44 178.14 3jur h SER 55 N 0.06 0.64 -0.74 -0.43 0.87 -0.41 0.20 113.55 113.74 3jur h SER 55 Ca 0.05 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3jur h SER 55 Cb 0.49 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 3jur h SER 55 CO 0.02 0.49 0.44 0.50 -0.53 0.00 0.00 176.83 177.74 3jur h LYS 56 N 0.74 0.78 0.00 2.24 3.64 -0.64 -2.37 116.57 120.96 3jur h LYS 56 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3jur h LYS 56 Cb -0.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3jur h LYS 56 CO -0.04 0.52 -0.07 1.96 -2.27 0.00 0.00 179.45 179.55 3jur h GLN 57 N 0.81 0.00 0.00 1.90 4.20 -1.37 -3.47 115.11 117.18 3jur h GLN 57 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3jur h GLN 57 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3jur h GLN 57 CO -0.17 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.40 3jur n GLY 58 N 1.30 1.46 0.00 3.46 0.00 -0.86 -5.07 105.19 105.49 3jur n GLY 58 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3jur n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 59 N -0.31 -1.39 0.00 -0.02 0.00 0.64 -4.85 105.19 99.26 3jur n GLY 59 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 3jur n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 60 N -0.47 0.51 3.66 -0.02 0.00 0.05 -4.76 105.19 104.16 3jur n GLY 60 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3jur n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jur s ARG 61 N -2.00 3.83 -0.34 1.61 0.52 0.78 -1.15 118.95 122.20 3jur s ARG 61 Ca 0.00 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 3jur s ARG 61 Cb 0.00 -3.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 3jur s ARG 61 CO 0.00 0.36 0.21 -1.17 0.02 0.00 0.00 175.30 174.72 3jur s LEU 62 N 0.12 4.45 -0.27 2.53 2.96 0.44 -1.44 118.68 127.46 3jur s LEU 62 Ca 0.05 -0.61 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 3jur s LEU 62 Cb -0.12 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3jur s LEU 62 CO 0.01 -0.27 0.59 -0.63 -1.32 0.00 0.00 176.35 174.73 3jur s ILE 63 N 1.65 5.00 -0.46 6.68 1.01 -0.27 -0.67 121.20 134.14 3jur s ILE 63 Ca 0.05 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 61.55 3jur s ILE 63 Cb -0.18 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.47 3jur s ILE 63 CO 0.08 0.00 0.34 -0.69 0.00 0.00 0.00 174.94 174.67 3jur s VAL 64 N 2.47 4.62 0.41 2.92 1.01 0.30 -1.53 120.40 130.61 3jur s VAL 64 Ca 0.24 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 3jur s VAL 64 Cb -0.15 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.47 3jur s VAL 64 CO 0.10 -0.61 0.53 -0.81 0.00 0.00 0.00 175.10 174.31 3jur n PRO 65 N 5.03 -0.72 -1.49 2.72 -0.04 -1.26 -0.39 135.00 138.85 3jur n PRO 65 Ca -0.11 -0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 62.11 3jur n PRO 65 Cb 0.42 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 3jur n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3jur n GLU 66 N -2.25 0.74 0.00 0.54 2.13 -1.26 -2.15 120.64 118.39 3jur n GLU 66 Ca 0.07 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3jur n GLU 66 Cb 0.24 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3jur n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3jur n GLY 67 N 1.64 1.69 3.35 8.31 0.00 -1.26 -4.80 105.19 114.12 3jur n GLY 67 Ca 0.11 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3jur n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 68 N -1.41 3.50 -0.31 1.61 1.01 -0.54 -0.79 120.40 123.47 3jur s VAL 68 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3jur s VAL 68 Cb 0.00 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.84 3jur s VAL 68 CO 0.00 0.43 0.04 -0.36 0.00 0.00 0.00 175.10 175.21 3jur s PHE 69 N 1.27 3.24 0.06 5.22 0.08 -0.10 -1.06 117.98 126.68 3jur s PHE 69 Ca 0.03 -1.61 -0.29 0.00 0.12 0.00 0.00 56.93 55.19 3jur s PHE 69 Cb -0.14 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.08 3jur s PHE 69 CO -0.01 -0.75 0.91 -0.51 -0.10 0.00 0.00 175.22 174.76 3jur s LEU 70 N 1.33 4.44 0.06 -0.37 1.43 -1.25 -0.64 118.68 123.70 3jur s LEU 70 Ca -0.03 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 54.46 3jur s LEU 70 Cb -0.19 -3.48 0.07 0.00 0.03 0.00 0.00 46.19 42.61 3jur s LEU 70 CO 0.00 -0.10 0.63 0.28 0.23 0.00 0.00 176.35 177.39 3jur s THR 71 N 0.30 0.00 0.00 5.49 -1.32 -0.94 0.64 115.64 119.81 3jur s THR 71 Ca 0.46 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 3jur s THR 71 Cb -0.22 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 3jur s THR 71 CO 0.27 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 3jur n GLY 72 N 0.22 -1.10 3.74 6.08 0.00 -1.26 -0.45 105.19 112.43 3jur n GLY 72 Ca -0.18 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 3jur n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jur n PRO 73 N -0.53 1.69 -3.98 1.61 -0.04 -1.26 -4.84 135.00 127.65 3jur n PRO 73 Ca 0.00 0.62 -0.35 0.00 -0.04 0.00 0.00 63.50 63.73 3jur n PRO 73 Cb 0.00 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 30.77 3jur n PRO 73 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3jur s ILE 74 N -1.29 4.41 -0.37 0.52 1.01 0.88 -5.00 121.20 121.35 3jur s ILE 74 Ca 0.71 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 3jur s ILE 74 Cb -0.42 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.07 3jur s ILE 74 CO 0.49 0.41 0.20 -1.00 0.00 0.00 0.00 174.94 175.05 3jur s HIS 75 N 0.91 3.25 0.64 3.97 3.76 -1.26 -0.88 115.29 125.68 3jur s HIS 75 Ca 0.03 -1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 53.81 3jur s HIS 75 Cb -0.14 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 3jur s HIS 75 CO 0.02 -0.66 1.04 -0.51 -0.85 0.00 0.00 174.74 173.78 3jur s LEU 76 N 1.54 3.20 0.35 0.89 1.43 0.13 -4.98 118.68 121.24 3jur s LEU 76 Ca 0.02 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.62 3jur s LEU 76 Cb -0.19 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.50 3jur s LEU 76 CO 0.06 -1.01 0.06 -0.54 0.23 0.00 0.00 176.35 175.15 3jur s LYS 77 N -5.15 1.74 0.40 1.70 1.02 -1.26 -4.68 119.74 113.52 3jur s LYS 77 Ca 0.56 -1.99 -0.26 0.00 0.02 0.00 0.00 55.97 54.31 3jur s LYS 77 Cb -0.12 -0.95 -0.11 0.00 -0.52 0.00 0.00 37.83 36.13 3jur s LYS 77 CO 0.54 -0.21 1.18 0.43 -0.92 0.00 0.00 175.35 176.37 3jur n SER 78 N -0.81 2.11 -0.88 2.83 7.64 -1.26 -3.17 113.62 120.08 3jur n SER 78 Ca -0.04 1.10 -0.10 0.00 1.01 0.00 0.00 58.87 60.85 3jur n SER 78 Cb 0.66 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 3jur n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3jur n ASN 79 N 0.42 -3.87 -4.44 6.43 3.02 -0.28 -4.72 115.26 111.81 3jur n ASN 79 Ca 0.07 0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.44 3jur n ASN 79 Cb 0.39 -2.56 -0.13 0.00 -0.61 0.00 0.00 39.78 36.87 3jur n ASN 79 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jur s ILE 80 N -2.41 3.59 -0.24 2.41 -1.09 -1.14 -0.77 121.20 121.55 3jur s ILE 80 Ca 0.00 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.90 3jur s ILE 80 Cb 0.00 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 3jur s ILE 80 CO 0.00 0.49 0.02 -0.70 -1.23 0.00 0.00 174.94 173.53 3jur s GLU 81 N 0.49 3.50 -0.55 2.79 2.12 -0.30 -1.36 118.70 125.38 3jur s GLU 81 Ca -0.05 -0.56 -0.21 0.00 0.36 0.00 0.00 54.97 54.51 3jur s GLU 81 Cb -0.15 -3.20 0.06 0.00 0.26 0.00 0.00 34.13 31.11 3jur s GLU 81 CO 0.03 -0.21 0.78 -1.17 -0.54 0.00 0.00 175.26 174.15 3jur s LEU 82 N 1.55 4.67 -0.46 2.70 2.96 0.57 -0.42 118.68 130.24 3jur s LEU 82 Ca 0.06 -0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 3jur s LEU 82 Cb -0.15 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.05 3jur s LEU 82 CO 0.01 -1.10 0.45 -2.28 -1.32 0.00 0.00 176.35 172.11 3jur s HIS 83 N 3.24 3.18 -0.39 5.38 5.65 0.16 -1.46 115.29 131.05 3jur s HIS 83 Ca 0.20 -0.69 -0.12 0.00 0.25 0.00 0.00 55.06 54.70 3jur s HIS 83 Cb -0.17 -3.15 0.03 0.00 -1.18 0.00 0.00 32.58 28.11 3jur s HIS 83 CO 0.13 -0.82 0.24 0.08 -0.65 0.00 0.00 174.74 173.72 3jur s VAL 84 N 1.99 4.76 -0.25 0.89 1.01 0.01 -0.54 120.40 128.28 3jur s VAL 84 Ca 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3jur s VAL 84 Cb -0.21 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 3jur s VAL 84 CO 0.10 -0.27 -0.20 0.29 0.00 0.00 0.00 175.10 175.02 3jur n LYS 85 N 5.04 0.64 0.00 2.72 5.02 0.47 -0.10 118.16 131.96 3jur n LYS 85 Ca -0.11 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3jur n LYS 85 Cb 0.46 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3jur n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jur n GLY 86 N 1.86 1.22 3.39 0.72 0.00 -0.91 -3.84 105.19 107.63 3jur n GLY 86 Ca -0.47 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 3jur n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jur s THR 87 N 1.18 3.06 -0.38 2.61 2.01 0.03 -1.03 115.64 123.12 3jur s THR 87 Ca 0.00 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 3jur s THR 87 Cb 0.00 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.25 3jur s THR 87 CO 0.00 0.54 0.32 -0.63 -0.69 0.00 0.00 174.62 174.15 3jur s ILE 88 N 0.14 5.22 -0.28 1.82 1.01 0.57 -0.93 121.20 128.76 3jur s ILE 88 Ca -0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3jur s ILE 88 Cb -0.15 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3jur s ILE 88 CO 0.05 -0.22 0.05 -0.75 0.00 0.00 0.00 174.94 174.07 3jur s LYS 89 N 1.82 3.12 0.04 2.79 2.20 0.19 -0.33 119.74 129.57 3jur s LYS 89 Ca 0.07 -0.83 -0.28 0.00 -0.36 0.00 0.00 55.97 54.58 3jur s LYS 89 Cb -0.18 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3jur s LYS 89 CO 0.11 -0.40 0.88 -0.06 -0.36 0.00 0.00 175.35 175.52 3jur s PHE 90 N 1.48 3.72 -0.23 4.03 0.40 0.41 -2.22 117.98 125.58 3jur s PHE 90 Ca 0.03 1.62 -0.29 0.00 -0.60 0.00 0.00 56.93 57.68 3jur s PHE 90 Cb -0.17 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 3jur s PHE 90 CO 0.01 0.15 1.32 0.42 0.70 0.00 0.00 175.22 177.82 3jur s ILE 91 N 0.38 4.15 -0.33 0.64 1.01 0.41 -4.35 121.20 123.11 3jur s ILE 91 Ca 0.45 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 62.38 3jur s ILE 91 Cb -0.21 -4.03 -0.16 0.00 0.01 0.00 0.00 42.46 38.07 3jur s ILE 91 CO 0.26 -0.31 3.31 -0.81 0.00 0.00 0.00 174.94 177.39 3jur n PRO 92 N 7.04 2.38 -3.77 2.79 -0.04 -1.26 -4.80 135.00 137.34 3jur n PRO 92 Ca 0.15 -1.54 -0.37 0.00 -0.04 0.00 0.00 63.50 61.69 3jur n PRO 92 Cb 0.46 -2.14 -0.13 0.00 -0.04 0.00 0.00 33.50 31.65 3jur n PRO 92 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3jur s ASP 93 N 1.56 5.21 0.40 3.54 3.68 -1.26 -4.89 116.67 124.90 3jur s ASP 93 Ca 0.65 -1.01 0.14 0.00 2.13 0.00 0.00 52.55 54.47 3jur s ASP 93 Cb 0.32 -1.86 0.99 0.00 -1.45 0.00 0.00 42.92 40.92 3jur s ASP 93 CO -0.06 -0.28 1.86 -0.65 0.13 0.00 0.00 175.17 176.17 3jur h PRO 94 N 8.21 0.49 -1.02 4.34 0.11 -2.00 0.28 132.00 142.40 3jur h PRO 94 Ca -0.26 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 66.07 3jur h PRO 94 Cb 1.10 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.99 3jur h PRO 94 CO 0.60 0.32 0.64 1.49 -0.21 0.00 0.00 178.00 180.85 3jur h GLU 95 N 0.50 0.46 0.00 1.05 4.57 -1.97 0.11 114.58 119.30 3jur h GLU 95 Ca 0.46 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 3jur h GLU 95 Cb 1.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3jur h GLU 95 CO -0.19 0.30 0.00 0.54 -1.18 0.00 0.00 179.01 178.48 3jur n ARG 96 N -4.70 0.14 -0.69 1.92 1.74 0.09 -2.78 116.66 112.39 3jur n ARG 96 Ca 0.25 0.50 0.06 0.00 -0.77 0.00 0.00 57.85 57.89 3jur n ARG 96 Cb 0.81 -1.84 0.31 0.00 -1.02 0.00 0.00 32.46 30.72 3jur n ARG 96 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jur n TYR 97 N -2.12 1.52 -4.35 -1.55 4.01 0.38 -4.42 117.16 110.63 3jur n TYR 97 Ca 0.01 -0.90 -0.25 0.00 -0.16 0.00 0.00 57.90 56.60 3jur n TYR 97 Cb 0.13 -0.44 -0.09 0.00 -0.31 0.00 0.00 39.34 38.64 3jur n TYR 97 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3jur s LEU 98 N -2.85 2.91 0.90 7.72 1.43 -1.12 -0.56 118.68 127.11 3jur s LEU 98 Ca 0.48 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3jur s LEU 98 Cb 0.38 -1.49 0.14 0.00 0.03 0.00 0.00 46.19 45.24 3jur s LEU 98 CO 0.11 0.05 1.11 -2.16 0.23 0.00 0.00 176.35 175.69 3jur s PRO 99 N -3.29 1.16 0.49 1.29 0.04 -1.26 -5.03 135.00 128.41 3jur s PRO 99 Ca 0.28 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.31 3jur s PRO 99 Cb -0.07 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 3jur s PRO 99 CO 0.16 -2.42 1.26 1.33 0.04 0.00 0.00 177.00 177.37 3jur n VAL 100 N -4.06 3.19 -4.40 -0.36 0.24 -1.26 -4.55 118.33 107.12 3jur n VAL 100 Ca 0.09 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.69 3jur n VAL 100 Cb 0.53 -1.55 -0.10 0.00 -1.47 0.00 0.00 33.84 31.25 3jur n VAL 100 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3jur s VAL 101 N -1.28 1.80 0.04 3.34 -7.23 -0.35 -4.80 120.40 111.93 3jur s VAL 101 Ca 0.67 -2.20 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 3jur s VAL 101 Cb -0.46 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 3jur s VAL 101 CO 0.53 -0.44 1.80 -0.22 -0.31 0.00 0.00 175.10 176.46 3jur s LEU 102 N -3.40 4.39 0.00 1.32 2.96 -1.26 -2.37 118.68 120.31 3jur s LEU 102 Ca 0.27 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 3jur s LEU 102 Cb 0.01 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3jur s LEU 102 CO 0.10 -0.98 0.00 1.07 -1.32 0.00 0.00 176.35 175.23 3jur n THR 103 N 5.19 0.00 -3.78 3.68 5.66 -0.39 -4.99 114.28 119.65 3jur n THR 103 Ca 0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.05 3jur n THR 103 Cb 0.41 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.08 3jur n THR 103 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3jur s ARG 104 N 0.26 0.39 -0.15 1.09 3.52 -1.26 -1.92 118.95 120.88 3jur s ARG 104 Ca 0.00 0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.88 3jur s ARG 104 Cb 0.00 0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 3jur s ARG 104 CO 0.00 -0.06 -0.07 0.12 -0.81 0.00 0.00 175.30 174.48 3jur s PHE 105 N -0.12 1.70 -1.48 5.12 5.36 -0.11 -4.82 117.98 123.62 3jur s PHE 105 Ca -0.03 -1.00 -0.04 0.00 -0.96 0.00 0.00 56.93 54.90 3jur s PHE 105 Cb -0.03 -1.33 0.01 0.00 -0.34 0.00 0.00 43.02 41.33 3jur s PHE 105 CO 0.01 -0.59 0.15 0.39 -1.46 0.00 0.00 175.22 173.72 3jur n GLU 106 N 4.88 -1.22 -0.61 10.12 1.02 -1.26 -1.98 120.64 131.59 3jur n GLU 106 Ca -0.13 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3jur n GLU 106 Cb 0.49 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 28.30 3jur n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jur n GLY 107 N -2.43 0.78 3.18 0.62 0.00 -1.26 -4.68 105.19 101.40 3jur n GLY 107 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3jur n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jur s ILE 108 N -3.00 1.95 0.40 -0.61 1.01 -0.84 -1.30 121.20 118.81 3jur s ILE 108 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 3jur s ILE 108 Cb 0.00 -1.70 -0.08 0.00 0.01 0.00 0.00 42.46 40.68 3jur s ILE 108 CO 0.00 0.53 1.21 -1.61 0.00 0.00 0.00 174.94 175.07 3jur s GLU 109 N 0.52 4.03 0.26 2.79 2.02 -1.26 -0.94 118.70 126.12 3jur s GLU 109 Ca -0.15 1.94 -0.21 0.00 0.02 0.00 0.00 54.97 56.57 3jur s GLU 109 Cb -0.17 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.40 3jur s GLU 109 CO 0.05 -0.37 0.83 -0.48 0.02 0.00 0.00 175.26 175.32 3jur s LEU 110 N -2.46 -0.15 -0.23 1.80 2.34 -0.81 -4.91 118.68 114.26 3jur s LEU 110 Ca 0.57 -0.69 -0.09 0.00 0.06 0.00 0.00 54.13 53.98 3jur s LEU 110 Cb -0.33 2.54 -0.04 0.00 -0.56 0.00 0.00 46.19 47.80 3jur s LEU 110 CO 0.42 -1.28 0.10 -0.31 -1.06 0.00 0.00 176.35 174.23 3jur s TYR 111 N -3.18 3.20 0.38 3.48 2.02 0.04 -1.27 117.35 122.02 3jur s TYR 111 Ca 0.14 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 3jur s TYR 111 Cb -0.04 -2.22 0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3jur s TYR 111 CO 0.07 -0.09 0.70 1.21 -1.57 0.00 0.00 175.55 175.87 3jur s ASN 112 N 1.14 0.33 0.21 2.29 2.47 -1.00 -0.71 114.94 119.67 3jur s ASN 112 Ca 0.05 -1.29 -0.30 0.00 0.42 0.00 0.00 52.86 51.75 3jur s ASN 112 Cb -0.14 0.80 -0.16 0.00 -1.45 0.00 0.00 41.25 40.30 3jur s ASN 112 CO 0.04 -1.59 0.80 -1.22 -3.72 0.00 0.00 177.10 171.42 3jur n TYR 113 N -0.55 0.38 -1.75 0.43 4.01 -1.26 -1.21 117.16 117.21 3jur n TYR 113 Ca -0.06 0.86 -0.42 0.00 -0.16 0.00 0.00 57.90 58.13 3jur n TYR 113 Cb 0.60 -2.10 -0.01 0.00 -0.31 0.00 0.00 39.34 37.52 3jur n TYR 113 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3jur n SER 114 N 1.73 3.86 -4.61 7.72 2.88 0.27 -4.71 113.62 120.75 3jur n SER 114 Ca 0.15 1.16 -0.34 0.00 -1.33 0.00 0.00 58.87 58.52 3jur n SER 114 Cb 0.26 -1.60 0.12 0.00 -0.75 0.00 0.00 64.21 62.23 3jur n SER 114 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3jur n PRO 115 N 1.78 0.11 -0.16 -1.46 -0.02 -1.26 -4.82 135.00 129.17 3jur n PRO 115 Ca 0.07 0.11 -0.07 0.00 -2.02 0.00 0.00 63.50 61.58 3jur n PRO 115 Cb 0.37 -2.24 0.08 0.00 -0.02 0.00 0.00 33.50 31.69 3jur n PRO 115 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3jur h LEU 116 N -0.94 0.93 -8.04 2.45 3.38 -1.02 -3.39 115.31 108.68 3jur h LEU 116 Ca -0.46 -0.26 -0.63 0.00 0.09 0.00 0.00 57.88 56.63 3jur h LEU 116 Cb 1.30 -0.25 -0.35 0.00 0.09 0.00 0.00 40.66 41.46 3jur h LEU 116 CO 0.43 1.00 -0.85 -0.69 0.09 0.00 0.00 178.44 178.43 3jur s VAL 117 N -4.96 1.76 -0.03 1.22 1.01 -0.41 -0.08 120.40 118.90 3jur s VAL 117 Ca -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3jur s VAL 117 Cb 0.14 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3jur s VAL 117 CO 0.84 0.49 -0.03 -0.47 0.00 0.00 0.00 175.10 175.93 3jur s TYR 118 N 1.10 0.57 -0.04 5.22 5.04 -0.06 -0.88 117.35 128.30 3jur s TYR 118 Ca -0.02 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 3jur s TYR 118 Cb -0.14 -0.54 0.02 0.00 0.35 0.00 0.00 41.96 41.65 3jur s TYR 118 CO -0.06 -0.15 -0.07 0.00 -1.34 0.00 0.00 175.55 173.94 3jur s ALA 119 N 0.83 0.81 -0.10 3.97 0.00 -0.70 -0.69 121.76 125.88 3jur s ALA 119 Ca -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3jur s ALA 119 Cb -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.58 3jur s ALA 119 CO -0.00 0.05 -0.17 -1.17 0.00 0.00 0.00 175.76 174.46 3jur s LEU 120 N 0.70 1.83 -1.55 0.00 2.96 -1.26 0.04 118.68 121.41 3jur s LEU 120 Ca -0.11 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3jur s LEU 120 Cb -0.13 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.41 3jur s LEU 120 CO 0.01 0.05 0.28 0.47 -1.32 0.00 0.00 176.35 175.84 3jur n ASP 121 N 3.99 -5.49 -4.97 3.68 8.00 0.62 -4.97 116.55 117.40 3jur n ASP 121 Ca -0.20 -0.12 -0.20 0.00 0.71 0.00 0.00 54.79 54.98 3jur n ASP 121 Cb 0.52 -4.52 -0.01 0.00 -0.02 0.00 0.00 41.12 37.08 3jur n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jur s GLU 123 N -4.06 0.71 -0.82 0.00 2.12 -1.26 -1.81 118.70 113.57 3jur s GLU 123 Ca 0.39 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.27 3jur s GLU 123 Cb -0.09 -0.67 -0.01 0.00 0.26 0.00 0.00 34.13 33.62 3jur s GLU 123 CO 0.30 0.18 0.74 0.09 -0.54 0.00 0.00 175.26 176.02 3jur n ASN 124 N 2.57 -7.25 -4.16 -1.70 3.02 -0.37 -1.15 115.26 106.22 3jur n ASN 124 Ca -0.15 -0.31 -0.27 0.00 -0.03 0.00 0.00 54.58 53.82 3jur n ASN 124 Cb 0.56 -4.93 -0.16 0.00 -0.61 0.00 0.00 39.78 34.65 3jur n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 125 N -3.09 1.58 0.02 2.41 1.01 -0.63 -1.13 120.40 120.57 3jur s VAL 125 Ca 0.11 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3jur s VAL 125 Cb -0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3jur s VAL 125 CO 0.76 0.45 -0.06 0.00 0.00 0.00 0.00 175.10 176.26 3jur s ALA 126 N 0.06 0.42 -0.20 5.51 0.00 -0.47 -1.57 121.76 125.51 3jur s ALA 126 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3jur s ALA 126 Cb -0.13 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3jur s ALA 126 CO 0.03 -0.00 -0.14 0.42 0.00 0.00 0.00 175.76 176.07 3jur s ILE 127 N -0.90 1.86 0.39 0.00 1.01 0.68 -0.32 121.20 123.92 3jur s ILE 127 Ca -0.06 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.57 3jur s ILE 127 Cb -0.07 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3jur s ILE 127 CO -0.00 0.28 0.14 0.42 0.00 0.00 0.00 174.94 175.78 3jur s THR 128 N 1.32 0.56 0.00 2.92 -4.23 -0.54 0.03 115.64 115.71 3jur s THR 128 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3jur s THR 128 Cb -0.15 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.29 3jur s THR 128 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3jur n GLY 129 N -0.85 1.02 0.92 3.99 0.00 -1.22 -0.80 105.19 108.24 3jur n GLY 129 Ca -0.04 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 43.96 3jur n GLY 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jur n SER 130 N 0.00 3.69 -1.78 1.61 3.41 -0.88 -1.84 113.62 117.83 3jur n SER 130 Ca 0.00 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 3jur n SER 130 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3jur n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jur n GLY 131 N -0.62 0.42 3.24 5.00 0.00 0.86 -4.73 105.19 109.37 3jur n GLY 131 Ca 0.23 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 3jur n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 132 N 0.46 1.82 -0.28 1.61 1.01 -0.20 -1.37 120.40 123.46 3jur s VAL 132 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 3jur s VAL 132 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3jur s VAL 132 CO 0.00 0.51 0.10 -0.76 0.00 0.00 0.00 175.10 174.95 3jur s LEU 133 N -0.33 3.75 -0.32 3.92 1.43 0.36 -0.31 118.68 127.17 3jur s LEU 133 Ca 0.03 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3jur s LEU 133 Cb -0.11 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.25 3jur s LEU 133 CO 0.01 -0.12 0.03 -0.62 0.23 0.00 0.00 176.35 175.88 3jur s ASP 134 N 1.59 4.81 0.00 2.29 2.15 0.55 -1.66 116.67 126.40 3jur s ASP 134 Ca 0.05 -1.75 0.21 0.00 0.43 0.00 0.00 52.55 51.49 3jur s ASP 134 Cb -0.16 -1.66 0.90 0.00 -0.30 0.00 0.00 42.92 41.70 3jur s ASP 134 CO 0.04 -0.34 1.66 0.61 -0.17 0.00 0.00 175.17 176.97 3jur n GLY 135 N 4.44 -1.17 2.60 2.66 0.00 -0.76 -0.45 105.19 112.52 3jur n GLY 135 Ca -0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 3jur n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3jur n SER 136 N -1.47 -5.43 -4.76 1.61 7.64 -1.07 -4.69 113.62 105.46 3jur n SER 136 Ca 0.06 0.46 -0.39 0.00 1.01 0.00 0.00 58.87 60.01 3jur n SER 136 Cb 0.23 -4.57 -0.05 0.00 -1.01 0.00 0.00 64.21 58.81 3jur n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jur s ALA 137 N -2.63 3.29 0.00 -0.43 0.00 -0.69 -4.78 121.76 116.53 3jur s ALA 137 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3jur s ALA 137 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3jur s ALA 137 CO 0.00 -0.01 0.00 -0.40 0.00 0.00 0.00 175.76 175.35 3jur n ASP 138 N 0.92 0.00 0.00 0.00 5.68 -0.84 -4.71 116.55 117.59 3jur n ASP 138 Ca 0.00 -0.61 0.06 0.00 -0.50 0.00 0.00 54.79 53.75 3jur n ASP 138 Cb 0.47 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.72 3jur n ASP 138 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3jur n ASN 139 N -0.55 0.00 -0.00 -1.12 3.02 -1.26 -2.16 115.26 113.19 3jur n ASN 139 Ca 0.00 0.41 0.06 0.00 -0.03 0.00 0.00 54.58 55.01 3jur n ASN 139 Cb 0.00 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 38.65 3jur n ASN 139 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jur n GLU 140 N -1.45 2.48 -3.95 3.52 -0.58 -1.26 -4.23 120.64 115.17 3jur n GLU 140 Ca 0.04 -0.03 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 3jur n GLU 140 Cb 0.13 -1.10 -0.17 0.00 -0.57 0.00 0.00 31.44 29.73 3jur n GLU 140 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3jur s HIS 141 N -2.27 0.72 0.00 -0.32 3.76 -0.92 -4.92 115.29 111.34 3jur s HIS 141 Ca 0.02 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 3jur s HIS 141 Cb 0.08 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 33.04 3jur s HIS 141 CO 0.48 -0.27 0.00 0.91 -0.85 0.00 0.00 174.74 175.01 3jur n TRP 142 N 4.61 0.00 -0.18 1.40 7.02 -1.26 -1.98 117.44 127.04 3jur n TRP 142 Ca -0.16 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.31 3jur n TRP 142 Cb 0.50 0.00 0.23 0.00 -2.42 0.00 0.00 31.31 29.62 3jur n TRP 142 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 3jur h TRP 143 N 0.00 0.91 -0.30 -5.99 6.55 -1.83 -1.86 115.95 113.42 3jur h TRP 143 Ca 0.00 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 59.92 3jur h TRP 143 Cb 0.00 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.99 3jur h TRP 143 CO 0.00 0.63 0.40 -1.35 -1.05 0.00 0.00 178.44 177.07 3jur h PRO 144 N 0.94 0.00 0.00 0.49 0.11 -1.75 -1.56 132.00 130.23 3jur h PRO 144 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3jur h PRO 144 Cb 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3jur h PRO 144 CO -0.04 0.00 -0.03 -1.49 -0.21 0.00 0.00 178.00 176.23 3jur h TRP 145 N 0.00 0.00 -0.69 0.65 4.06 -1.62 -2.55 115.95 115.81 3jur h TRP 145 Ca 0.14 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 3jur h TRP 145 Cb 0.94 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 3jur h TRP 145 CO 0.00 0.03 0.29 -0.22 -3.56 0.00 0.00 178.44 174.98 3jur h LYS 146 N 0.00 1.00 0.00 0.49 1.63 -1.47 0.85 116.57 119.08 3jur h LYS 146 Ca -0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3jur h LYS 146 Cb 0.17 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3jur h LYS 146 CO 0.00 0.81 0.00 0.41 -3.45 0.00 0.00 179.45 177.22 3jur n GLY 147 N -0.99 1.08 3.71 5.01 0.00 -0.96 -4.57 105.19 108.47 3jur n GLY 147 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3jur n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jur s LYS 148 N -0.78 3.86 0.16 1.61 1.02 -1.26 -4.92 119.74 119.43 3jur s LYS 148 Ca 0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 3jur s LYS 148 Cb 0.00 -3.24 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3jur s LYS 148 CO 0.00 0.41 1.63 0.87 -0.92 0.00 0.00 175.35 177.34 3jur h LYS 149 N 6.25 0.95 0.00 1.68 1.57 -1.95 -2.16 116.57 122.92 3jur h LYS 149 Ca -0.43 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3jur h LYS 149 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3jur h LYS 149 CO 0.69 0.95 0.00 -0.40 -0.57 0.00 0.00 179.45 180.11 3jur n ASP 150 N -4.29 0.26 -0.94 0.86 5.75 -1.26 -1.92 116.55 115.01 3jur n ASP 150 Ca 0.02 0.59 -0.00 0.00 -0.01 0.00 0.00 54.79 55.39 3jur n ASP 150 Cb 0.31 -0.64 0.20 0.00 -1.03 0.00 0.00 41.12 39.96 3jur n ASP 150 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3jur n PHE 151 N -1.82 0.73 0.00 2.11 3.72 -0.86 -4.98 117.46 116.35 3jur n PHE 151 Ca 0.01 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.91 3jur n PHE 151 Cb 0.10 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 3jur n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jur n GLY 152 N -1.10 1.29 3.74 1.37 0.00 -0.81 -2.84 105.19 106.84 3jur n GLY 152 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3jur n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jur s TRP 153 N -2.32 2.99 0.09 1.61 -0.00 -0.89 -4.76 118.94 115.65 3jur s TRP 153 Ca 0.00 0.99 0.07 0.00 -0.00 0.00 0.00 56.10 57.16 3jur s TRP 153 Cb 0.00 -3.85 -0.04 0.00 -0.00 0.00 0.00 33.47 29.58 3jur s TRP 153 CO 0.00 -2.79 -0.14 0.15 -0.00 0.00 0.00 176.95 174.17 3jur s LYS 154 N -0.35 2.04 0.09 5.86 1.02 -1.26 -4.17 119.74 122.96 3jur s LYS 154 Ca 0.60 -1.05 -0.34 0.00 0.02 0.00 0.00 55.97 55.21 3jur s LYS 154 Cb -0.43 -2.24 -0.13 0.00 -0.52 0.00 0.00 37.83 34.52 3jur s LYS 154 CO 0.43 0.51 1.69 -1.91 -0.92 0.00 0.00 175.35 175.16 3jur n GLU 155 N 0.94 2.25 -0.61 1.68 4.07 -1.26 -1.89 120.64 125.81 3jur n GLU 155 Ca -0.15 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 3jur n GLU 155 Cb 0.52 -2.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.28 3jur n GLU 155 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3jur n GLY 156 N 3.79 0.78 3.93 8.31 0.00 -1.26 -5.06 105.19 115.68 3jur n GLY 156 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3jur n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jur s LEU 157 N 0.00 4.31 0.86 0.99 2.01 -0.79 -5.10 118.68 120.96 3jur s LEU 157 Ca 0.00 0.29 -0.11 0.00 0.01 0.00 0.00 54.13 54.32 3jur s LEU 157 Cb 0.00 -3.02 0.11 0.00 0.01 0.00 0.00 46.19 43.29 3jur s LEU 157 CO 0.00 0.06 1.14 -2.16 1.01 0.00 0.00 176.35 176.40 3jur s PRO 158 N -3.00 1.43 0.37 1.29 0.04 -1.26 -4.89 135.00 128.99 3jur s PRO 158 Ca 0.36 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 3jur s PRO 158 Cb -0.12 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.67 3jur s PRO 158 CO 0.28 -2.31 0.60 0.54 0.04 0.00 0.00 177.00 176.15 3jur s ASN 159 N -2.78 0.72 0.52 6.66 2.20 -1.26 -4.72 114.94 116.28 3jur s ASN 159 Ca 0.66 -1.44 0.32 0.00 -0.94 0.00 0.00 52.86 51.46 3jur s ASN 159 Cb -0.22 0.75 1.23 0.00 -2.00 0.00 0.00 41.25 41.01 3jur s ASN 159 CO 0.56 -1.47 1.93 0.06 -2.94 0.00 0.00 177.10 175.23 3jur h GLN 160 N 2.04 0.00 -0.71 3.55 3.07 -0.91 -3.39 115.11 118.76 3jur h GLN 160 Ca -0.30 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.58 3jur h GLN 160 Cb 1.24 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.70 3jur h GLN 160 CO 0.40 0.00 0.21 1.96 0.09 0.00 0.00 178.83 181.49 3jur h GLN 161 N 0.00 0.33 -0.45 0.06 4.20 -1.87 0.12 115.11 117.50 3jur h GLN 161 Ca 0.00 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3jur h GLN 161 Cb 0.56 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3jur h GLN 161 CO 0.00 0.22 -0.13 0.93 -0.67 0.00 0.00 178.83 179.17 3jur h GLU 162 N 0.33 0.88 -0.54 1.46 4.39 -2.00 -2.16 114.58 116.94 3jur h GLU 162 Ca 0.39 -0.35 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3jur h GLU 162 Cb 0.62 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3jur h GLU 162 CO -0.44 0.99 -0.05 -0.44 -1.16 0.00 0.00 179.01 177.91 3jur h ASP 163 N 0.72 0.96 -0.47 1.42 3.45 -1.58 -0.16 116.42 120.75 3jur h ASP 163 Ca 0.11 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.28 3jur h ASP 163 Cb 0.68 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 3jur h ASP 163 CO 0.05 1.04 0.29 0.58 -1.57 0.00 0.00 179.24 179.63 3jur h VAL 164 N 0.88 1.14 -0.20 -1.35 2.07 -1.00 0.88 116.25 118.68 3jur h VAL 164 Ca 0.15 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3jur h VAL 164 Cb 0.59 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3jur h VAL 164 CO 0.04 0.14 0.07 0.50 0.02 0.00 0.00 177.57 178.34 3jur h LYS 165 N 0.63 0.16 -0.33 1.57 3.64 -1.14 -2.00 116.57 119.10 3jur h LYS 165 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3jur h LYS 165 Cb -0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3jur h LYS 165 CO -0.03 0.10 0.14 0.87 -2.27 0.00 0.00 179.45 178.26 3jur h LYS 166 N 0.16 0.49 -0.76 1.90 1.57 -0.81 -2.52 116.57 116.60 3jur h LYS 166 Ca 0.08 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3jur h LYS 166 Cb 0.05 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 3jur h LYS 166 CO -0.09 0.49 0.46 1.25 -0.57 0.00 0.00 179.45 180.99 3jur h LEU 167 N 0.39 0.72 -0.37 2.94 5.85 -0.71 -0.98 115.31 123.15 3jur h LEU 167 Ca 0.11 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3jur h LEU 167 Cb 0.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3jur h LEU 167 CO -0.01 0.47 0.12 0.11 -0.34 0.00 0.00 178.44 178.79 3jur h LYS 168 N 0.86 0.57 -0.81 1.25 1.57 -1.27 -2.20 116.57 116.54 3jur h LYS 168 Ca 0.33 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3jur h LYS 168 Cb 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3jur h LYS 168 CO -0.16 0.58 0.51 0.93 -0.57 0.00 0.00 179.45 180.74 3jur h GLU 169 N 0.45 1.08 -0.38 3.15 5.08 -1.08 -1.20 114.58 121.68 3jur h GLU 169 Ca 0.12 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3jur h GLU 169 Cb 0.24 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3jur h GLU 169 CO -0.00 0.74 0.25 0.52 -1.00 0.00 0.00 179.01 179.52 3jur h MET 170 N 1.10 0.49 -0.60 2.33 2.86 -1.07 -1.97 114.93 118.07 3jur h MET 170 Ca 0.29 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 3jur h MET 170 Cb -0.08 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3jur h MET 170 CO -0.06 0.33 0.33 0.00 1.06 0.00 0.00 176.91 178.57 3jur h ALA 171 N 1.15 0.77 -0.76 6.32 0.00 -1.06 -2.45 119.26 123.23 3jur h ALA 171 Ca 0.14 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3jur h ALA 171 Cb -0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 3jur h ALA 171 CO -0.04 0.28 0.40 0.93 0.00 0.00 0.00 179.25 180.83 3jur h GLU 172 N 0.81 0.67 -0.64 0.00 4.39 -0.97 -2.55 114.58 116.29 3jur h GLU 172 Ca 0.21 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3jur h GLU 172 Cb 0.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3jur h GLU 172 CO -0.03 0.44 0.42 0.00 -1.16 0.00 0.00 179.01 178.68 3jur h ARG 173 N 0.69 0.83 0.00 2.33 2.47 -0.95 -3.47 114.38 116.28 3jur h ARG 173 Ca 0.37 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3jur h ARG 173 Cb 0.36 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3jur h ARG 173 CO -0.25 0.55 0.00 0.41 0.56 0.00 0.00 179.97 181.23 3jur n GLY 174 N -1.28 1.16 3.70 0.04 0.00 -0.96 -5.07 105.19 102.79 3jur n GLY 174 Ca 0.05 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.52 3jur n GLY 174 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3jur n THR 175 N -1.42 0.34 -1.59 2.61 -1.04 -0.96 -4.89 114.28 107.33 3jur n THR 175 Ca 0.00 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 3jur n THR 175 Cb 0.00 -1.34 0.04 0.00 -1.82 0.00 0.00 70.33 67.20 3jur n THR 175 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3jur n PRO 176 N 5.42 0.98 -0.36 -2.82 -0.02 -1.26 -4.78 135.00 132.15 3jur n PRO 176 Ca 0.25 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 62.13 3jur n PRO 176 Cb 0.17 -2.05 0.19 0.00 -0.02 0.00 0.00 33.50 31.79 3jur n PRO 176 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3jur h VAL 177 N 0.78 1.07 0.00 -1.45 2.07 -1.92 -1.59 116.25 115.21 3jur h VAL 177 Ca -0.47 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3jur h VAL 177 Cb 1.36 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3jur h VAL 177 CO 0.52 0.21 0.08 -0.33 0.02 0.00 0.00 177.57 178.07 3jur h GLU 178 N 1.15 0.00 -0.14 1.57 3.07 -1.97 -0.10 114.58 118.16 3jur h GLU 178 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3jur h GLU 178 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3jur h GLU 178 CO -0.18 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.82 3jur n GLU 179 N -2.84 1.91 -3.00 2.33 1.02 -0.60 -4.67 120.64 114.79 3jur n GLU 179 Ca -0.02 -1.81 -0.44 0.00 -0.02 0.00 0.00 57.16 54.86 3jur n GLU 179 Cb 0.14 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3jur n GLU 179 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jur n ARG 180 N 1.13 3.94 -3.72 3.49 1.74 -0.05 -5.00 116.66 118.19 3jur n ARG 180 Ca 0.13 -4.29 -0.37 0.00 -0.77 0.00 0.00 57.85 52.55 3jur n ARG 180 Cb 0.50 -2.64 -0.11 0.00 -1.02 0.00 0.00 32.46 29.18 3jur n ARG 180 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jur s VAL 181 N -1.37 4.86 0.00 1.55 1.01 -1.26 -0.78 120.40 124.41 3jur s VAL 181 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3jur s VAL 181 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3jur s VAL 181 CO 0.02 0.33 0.00 0.49 0.00 0.00 0.00 175.10 175.94 3jur n PHE 182 N 4.69 0.00 0.00 5.22 3.72 0.11 -5.00 117.46 126.20 3jur n PHE 182 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3jur n PHE 182 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3jur n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jur n GLY 183 N 5.00 2.77 3.67 1.37 0.00 -1.26 -4.80 105.19 111.95 3jur n GLY 183 Ca 0.00 -0.25 -0.47 0.00 0.00 0.00 0.00 46.02 45.30 3jur n GLY 183 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3jur n LYS 184 N 13.00 2.15 -0.72 1.61 4.81 -1.26 -0.90 118.16 136.84 3jur n LYS 184 Ca 0.00 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3jur n LYS 184 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.48 3jur n LYS 184 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3jur n GLY 185 N 3.75 0.83 3.34 3.14 0.00 -1.26 -5.03 105.19 109.95 3jur n GLY 185 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 3jur n GLY 185 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jur s HIS 186 N -3.22 1.65 -0.35 1.61 3.76 -0.08 -5.09 115.29 113.56 3jur s HIS 186 Ca 0.00 -0.69 0.10 0.00 -0.15 0.00 0.00 55.06 54.32 3jur s HIS 186 Cb 0.00 -0.85 0.45 0.00 1.11 0.00 0.00 32.58 33.29 3jur s HIS 186 CO 0.00 0.23 1.12 0.66 -0.85 0.00 0.00 174.74 175.90 3jur n TYR 187 N -0.39 2.63 -3.58 1.40 4.01 -1.26 -4.73 117.16 115.23 3jur n TYR 187 Ca -0.07 -2.64 -0.41 0.00 -0.16 0.00 0.00 57.90 54.62 3jur n TYR 187 Cb 0.62 -0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 39.31 3jur n TYR 187 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3jur s LEU 188 N -3.54 4.82 0.63 7.72 1.43 -1.26 -3.78 118.68 124.70 3jur s LEU 188 Ca 0.44 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 3jur s LEU 188 Cb 0.40 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3jur s LEU 188 CO -0.06 -0.41 1.31 -0.13 0.23 0.00 0.00 176.35 177.29 3jur s ARG 189 N 1.55 2.64 0.43 1.70 0.52 -1.26 -4.72 118.95 119.82 3jur s ARG 189 Ca 0.02 2.11 -0.04 0.00 -0.52 0.00 0.00 55.73 57.30 3jur s ARG 189 Cb -0.20 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 3jur s ARG 189 CO 0.07 -1.54 0.71 -1.25 0.02 0.00 0.00 175.30 173.30 3jur s PRO 190 N -3.30 3.54 0.87 3.54 0.04 -1.26 -4.99 135.00 133.43 3jur s PRO 190 Ca 0.81 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 3jur s PRO 190 Cb -0.38 -2.47 0.12 0.00 0.04 0.00 0.00 34.50 31.81 3jur s PRO 190 CO 0.41 -0.08 1.11 -1.12 0.04 0.00 0.00 177.00 177.36 3jur s SER 191 N -4.02 3.50 0.00 6.66 0.01 -1.26 -4.02 113.70 114.57 3jur s SER 191 Ca 0.45 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.61 3jur s SER 191 Cb -0.10 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3jur s SER 191 CO 0.41 -2.68 0.08 0.33 0.41 0.00 0.00 173.24 171.79 3jur n PHE 192 N -3.94 0.00 -3.71 2.43 -0.00 0.45 -2.91 117.46 109.77 3jur n PHE 192 Ca 0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.18 3jur n PHE 192 Cb 0.53 -0.13 -0.12 0.00 -0.00 0.00 0.00 39.48 39.76 3jur n PHE 192 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3jur s VAL 193 N -0.43 4.71 -0.08 -2.13 1.01 0.05 -1.20 120.40 122.34 3jur s VAL 193 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3jur s VAL 193 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.19 3jur s VAL 193 CO 0.00 0.32 -0.05 -1.58 0.00 0.00 0.00 175.10 173.78 3jur s GLN 194 N 1.57 1.10 -0.27 2.72 0.74 -0.06 0.00 119.66 125.47 3jur s GLN 194 Ca 0.06 -0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.27 3jur s GLN 194 Cb -0.15 -1.18 -0.01 0.00 1.10 0.00 0.00 33.01 32.76 3jur s GLN 194 CO 0.06 -0.18 0.07 -0.06 -0.55 0.00 0.00 175.29 174.63 3jur s PHE 195 N 1.41 3.10 -0.26 1.67 0.08 -1.15 -1.72 117.98 121.12 3jur s PHE 195 Ca -0.02 -0.69 -0.04 0.00 0.12 0.00 0.00 56.93 56.29 3jur s PHE 195 Cb -0.13 -2.24 0.01 0.00 -0.57 0.00 0.00 43.02 40.08 3jur s PHE 195 CO -0.03 -0.47 0.00 -0.47 -0.10 0.00 0.00 175.22 174.15 3jur s TYR 196 N 1.56 3.07 -1.27 0.36 5.04 0.11 -0.31 117.35 125.91 3jur s TYR 196 Ca 0.05 -1.12 -0.03 0.00 -2.44 0.00 0.00 57.07 53.53 3jur s TYR 196 Cb -0.16 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 39.99 3jur s TYR 196 CO 0.03 -0.61 0.72 0.54 -1.34 0.00 0.00 175.55 174.89 3jur n ARG 197 N 4.79 -4.25 -4.22 4.97 1.74 0.42 -0.28 116.66 119.83 3jur n ARG 197 Ca -0.16 0.62 -0.25 0.00 -0.77 0.00 0.00 57.85 57.29 3jur n ARG 197 Cb 0.49 -5.09 -0.07 0.00 -1.02 0.00 0.00 32.46 26.76 3jur n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jur s ARG 199 N -3.30 1.76 -0.44 0.00 0.52 -0.75 -1.35 118.95 115.39 3jur s ARG 199 Ca 0.29 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.51 3jur s ARG 199 Cb -0.08 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.64 3jur s ARG 199 CO 0.20 0.47 0.57 0.09 0.02 0.00 0.00 175.30 176.65 3jur n ASN 200 N 2.32 -7.45 -4.16 0.23 3.02 -0.62 -1.24 115.26 107.35 3jur n ASN 200 Ca -0.16 0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 54.53 3jur n ASN 200 Cb 0.52 -5.03 -0.16 0.00 -0.61 0.00 0.00 39.78 34.50 3jur n ASN 200 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 201 N -2.56 1.52 -0.06 2.41 1.01 -0.24 -1.60 120.40 120.88 3jur s VAL 201 Ca 0.19 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3jur s VAL 201 Cb -0.05 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3jur s VAL 201 CO 0.70 0.43 -0.12 -0.22 0.00 0.00 0.00 175.10 175.89 3jur s LEU 202 N -0.06 1.68 -0.13 3.92 2.96 -0.61 -0.51 118.68 125.93 3jur s LEU 202 Ca -0.02 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3jur s LEU 202 Cb -0.11 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.79 3jur s LEU 202 CO 0.02 0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 3jur s VAL 203 N 0.56 1.40 0.02 1.68 1.01 0.50 -0.23 120.40 125.33 3jur s VAL 203 Ca -0.12 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3jur s VAL 203 Cb -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3jur s VAL 203 CO 0.03 0.43 0.15 -1.83 0.00 0.00 0.00 175.10 173.89 3jur s GLU 204 N 1.50 0.56 0.00 2.72 -1.05 0.10 -1.23 118.70 121.31 3jur s GLU 204 Ca 0.04 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 3jur s GLU 204 Cb -0.13 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 3jur s GLU 204 CO -0.09 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.38 3jur n GLY 205 N 1.13 1.34 3.76 -3.83 0.00 -0.86 -3.44 105.19 103.29 3jur n GLY 205 Ca -0.21 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3jur n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jur s VAL 206 N -0.09 3.06 -0.10 1.61 -7.23 -0.77 -4.50 120.40 112.37 3jur s VAL 206 Ca 0.00 0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 60.65 3jur s VAL 206 Cb 0.00 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 3jur s VAL 206 CO 0.00 -0.24 0.17 -0.75 -0.31 0.00 0.00 175.10 173.97 3jur s LYS 207 N -3.74 3.49 -0.15 4.82 2.20 -0.47 -1.56 119.74 124.33 3jur s LYS 207 Ca 0.71 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 3jur s LYS 207 Cb -0.23 -3.19 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3jur s LYS 207 CO 0.36 0.77 -0.18 0.42 -0.36 0.00 0.00 175.35 176.36 3jur s ILE 208 N -1.05 1.81 0.17 5.43 1.01 0.90 -0.49 121.20 128.98 3jur s ILE 208 Ca 0.16 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.07 3jur s ILE 208 Cb -0.12 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3jur s ILE 208 CO 0.05 0.50 -0.12 0.27 0.00 0.00 0.00 174.94 175.65 3jur s ILE 209 N 1.17 1.39 -1.27 2.92 -4.36 -0.67 -1.01 121.20 119.37 3jur s ILE 209 Ca -0.00 -2.11 -0.08 0.00 -0.26 0.00 0.00 60.65 58.20 3jur s ILE 209 Cb -0.14 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.65 3jur s ILE 209 CO -0.07 -0.68 0.64 0.59 0.24 0.00 0.00 174.94 175.65 3jur n ASN 210 N -0.25 -2.48 -4.74 4.36 3.02 -1.26 -1.83 115.26 112.08 3jur n ASN 210 Ca -0.09 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 3jur n ASN 210 Cb 0.60 -3.48 -0.05 0.00 -0.61 0.00 0.00 39.78 36.25 3jur n ASN 210 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3jur s SER 211 N -4.02 7.54 0.21 6.41 0.15 -1.26 -1.70 113.70 121.03 3jur s SER 211 Ca 0.18 1.91 -0.10 0.00 0.70 0.00 0.00 55.95 58.65 3jur s SER 211 Cb -0.06 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.85 3jur s SER 211 CO 0.86 0.03 1.84 -0.65 1.20 0.00 0.00 173.24 176.51 3jur h PRO 212 N 4.78 0.78 0.00 5.44 0.11 -1.85 -3.44 132.00 137.81 3jur h PRO 212 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jur h PRO 212 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3jur h PRO 212 CO 0.70 0.52 0.00 -0.12 -0.21 0.00 0.00 178.00 178.89 3jur n MET 213 N -4.70 0.00 -2.16 1.05 1.56 -1.26 -4.68 117.12 106.94 3jur n MET 213 Ca 0.08 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.10 3jur n MET 213 Cb 0.11 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.45 3jur n MET 213 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 3jur s TRP 214 N 2.22 3.14 -0.12 1.12 0.51 -1.17 -4.13 118.94 120.50 3jur s TRP 214 Ca 0.00 1.34 -0.07 0.00 -2.12 0.00 0.00 56.10 55.25 3jur s TRP 214 Cb 0.00 -3.65 -0.05 0.00 -0.81 0.00 0.00 33.47 28.97 3jur s TRP 214 CO 0.00 -1.86 0.05 0.00 -0.51 0.00 0.00 176.95 174.63 3jur s ILE 216 N -1.86 2.08 -0.57 0.00 1.01 -0.08 -0.77 121.20 121.00 3jur s ILE 216 Ca -0.08 -1.27 0.05 0.00 0.00 0.00 0.00 60.65 59.35 3jur s ILE 216 Cb 0.01 -2.04 0.18 0.00 0.01 0.00 0.00 42.46 40.61 3jur s ILE 216 CO 0.17 0.24 0.46 1.57 0.00 0.00 0.00 174.94 177.38 3jur n HIS 217 N 4.54 1.51 -2.63 3.97 -0.00 0.10 -0.76 115.22 121.94 3jur n HIS 217 Ca -0.17 -3.88 -0.41 0.00 0.46 0.00 0.00 57.72 53.72 3jur n HIS 217 Cb 0.46 -0.27 -0.04 0.00 -0.12 0.00 0.00 29.99 30.02 3jur n HIS 217 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3jur s PRO 218 N -0.95 4.65 -0.06 1.57 0.04 -1.25 -2.92 135.00 136.08 3jur s PRO 218 Ca 0.30 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.92 3jur s PRO 218 Cb 0.01 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.23 3jur s PRO 218 CO -0.17 0.14 -0.11 0.08 0.04 0.00 0.00 177.00 176.99 3jur s VAL 219 N -0.05 1.01 -1.40 -0.36 1.01 0.58 -1.42 120.40 119.77 3jur s VAL 219 Ca 0.48 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3jur s VAL 219 Cb -0.26 -0.93 0.08 0.00 0.00 0.00 0.00 36.38 35.27 3jur s VAL 219 CO 0.32 0.32 0.62 0.18 0.00 0.00 0.00 175.10 176.55 3jur n LEU 220 N 3.78 -1.86 -4.66 3.92 4.77 -0.04 -0.43 117.00 122.47 3jur n LEU 220 Ca -0.23 -0.51 -0.25 0.00 -0.03 0.00 0.00 56.01 54.99 3jur n LEU 220 Cb 0.52 -2.29 -0.07 0.00 -2.33 0.00 0.00 43.42 39.25 3jur n LEU 220 CO 0.25 0.24 -0.33 -0.44 -1.33 0.00 0.00 177.39 175.78 3jur s SER 221 N -2.88 4.68 0.00 -1.43 0.01 -1.25 -3.95 113.70 108.88 3jur s SER 221 Ca 0.48 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.26 3jur s SER 221 Cb -0.25 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 3jur s SER 221 CO 0.59 0.05 -0.06 -0.70 0.41 0.00 0.00 173.24 173.52 3jur s GLU 222 N -3.26 0.50 -0.58 12.44 2.12 -0.46 -1.66 118.70 127.80 3jur s GLU 222 Ca 0.29 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 3jur s GLU 222 Cb -0.08 -0.46 0.00 0.00 0.26 0.00 0.00 34.13 33.86 3jur s GLU 222 CO 0.19 0.12 0.60 -1.71 -0.54 0.00 0.00 175.26 173.92 3jur n ASN 223 N 2.70 -7.21 -4.22 -1.70 5.15 -0.91 -1.60 115.26 107.48 3jur n ASN 223 Ca -0.14 0.09 -0.32 0.00 -0.60 0.00 0.00 54.58 53.60 3jur n ASN 223 Cb 0.57 -4.86 -0.17 0.00 -0.53 0.00 0.00 39.78 34.79 3jur n ASN 223 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3jur s VAL 224 N -2.85 2.12 -0.15 3.44 1.01 -0.93 -1.08 120.40 121.96 3jur s VAL 224 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3jur s VAL 224 Cb -0.02 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3jur s VAL 224 CO 0.67 0.56 -0.20 -0.63 0.00 0.00 0.00 175.10 175.50 3jur s ILE 225 N 0.44 2.21 -0.16 2.22 1.01 0.34 -1.02 121.20 126.23 3jur s ILE 225 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3jur s ILE 225 Cb -0.17 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.42 3jur s ILE 225 CO 0.07 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.78 3jur s ILE 226 N 0.90 1.61 -0.10 2.92 1.01 -0.24 -0.37 121.20 126.92 3jur s ILE 226 Ca -0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 3jur s ILE 226 Cb -0.15 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3jur s ILE 226 CO -0.03 0.38 0.29 -0.60 0.00 0.00 0.00 174.94 174.98 3jur s ARG 227 N 1.46 0.36 -1.44 2.79 3.52 -0.37 -1.71 118.95 123.56 3jur s ARG 227 Ca 0.03 0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.88 3jur s ARG 227 Cb -0.14 0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.50 3jur s ARG 227 CO -0.10 -0.05 0.69 0.09 -0.81 0.00 0.00 175.30 175.12 3jur n ASN 228 N 2.80 -4.35 -4.90 -2.12 4.13 -0.97 -2.65 115.26 107.19 3jur n ASN 228 Ca -0.14 -0.55 -0.21 0.00 1.68 0.00 0.00 54.58 55.36 3jur n ASN 228 Cb 0.58 -3.54 -0.03 0.00 -1.54 0.00 0.00 39.78 35.25 3jur n ASN 228 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3jur s ILE 229 N -3.11 4.60 -0.14 2.41 -4.36 -1.26 -2.04 121.20 117.31 3jur s ILE 229 Ca 0.50 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.72 3jur s ILE 229 Cb -0.26 -3.55 0.01 0.00 1.25 0.00 0.00 42.46 39.91 3jur s ILE 229 CO 0.62 -0.30 -0.20 -0.70 0.24 0.00 0.00 174.94 174.61 3jur s GLU 230 N -3.95 2.79 -0.22 0.37 2.12 -0.60 -1.05 118.70 118.15 3jur s GLU 230 Ca 0.36 -0.77 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 3jur s GLU 230 Cb -0.08 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.96 3jur s GLU 230 CO 0.27 -0.05 0.16 0.42 -0.54 0.00 0.00 175.26 175.52 3jur s ILE 231 N 0.92 5.37 -0.37 -3.70 -1.09 0.14 -0.07 121.20 122.41 3jur s ILE 231 Ca -0.05 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 3jur s ILE 231 Cb -0.15 -3.50 0.15 0.00 -1.58 0.00 0.00 42.46 37.38 3jur s ILE 231 CO -0.03 0.38 0.27 -0.55 -1.23 0.00 0.00 174.94 173.78 3jur s SER 232 N 0.80 2.29 -0.27 3.58 0.15 -0.18 -0.36 113.70 119.71 3jur s SER 232 Ca 0.08 -2.34 -0.06 0.00 0.70 0.00 0.00 55.95 54.33 3jur s SER 232 Cb -0.13 -0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.06 3jur s SER 232 CO 0.02 -0.26 0.55 -0.55 1.20 0.00 0.00 173.24 174.20 3jur s SER 233 N 0.85 -0.82 -0.19 5.45 0.15 -0.58 -4.05 113.70 114.51 3jur s SER 233 Ca 0.22 1.12 0.15 0.00 0.70 0.00 0.00 55.95 58.14 3jur s SER 233 Cb -0.15 1.90 0.44 0.00 -1.71 0.00 0.00 66.02 66.50 3jur s SER 233 CO -0.05 -0.24 1.32 0.35 1.20 0.00 0.00 173.24 175.82 3jur n THR 234 N 5.42 2.21 -1.42 6.45 -2.24 -1.26 -1.48 114.28 121.96 3jur n THR 234 Ca -0.08 -2.36 -0.20 0.00 -2.27 0.00 0.00 64.05 59.14 3jur n THR 234 Cb 0.50 -0.26 0.15 0.00 -2.10 0.00 0.00 70.33 68.61 3jur n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jur n GLY 235 N -1.02 -1.76 3.71 3.38 0.00 -1.26 -4.43 105.19 103.81 3jur n GLY 235 Ca 0.22 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 3jur n GLY 235 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jur s PRO 236 N -4.93 4.32 -1.56 1.61 0.04 -1.26 -2.46 135.00 130.76 3jur s PRO 236 Ca 0.51 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3jur s PRO 236 Cb -0.02 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3jur s PRO 236 CO 0.37 -0.47 0.00 0.09 0.04 0.00 0.00 177.00 177.03 3jur n ASN 237 N 4.43 -5.21 -3.58 6.66 4.13 -1.26 -4.70 115.26 115.72 3jur n ASN 237 Ca 0.12 0.02 -0.41 0.00 1.68 0.00 0.00 54.58 55.99 3jur n ASN 237 Cb 0.43 -4.29 -0.01 0.00 -1.54 0.00 0.00 39.78 34.37 3jur n ASN 237 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3jur n ASN 238 N -1.37 5.68 -4.76 6.41 5.03 -1.03 -3.05 115.26 122.16 3jur n ASN 238 Ca -0.21 -2.76 -0.39 0.00 0.87 0.00 0.00 54.58 52.10 3jur n ASN 238 Cb 0.66 -1.62 0.00 0.00 -1.02 0.00 0.00 39.78 37.80 3jur n ASN 238 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3jur s ASP 239 N 2.73 6.06 -0.01 6.41 1.11 -1.26 -2.22 116.67 129.50 3jur s ASP 239 Ca 0.55 2.60 -0.01 0.00 0.18 0.00 0.00 52.55 55.87 3jur s ASP 239 Cb 0.15 -2.63 -0.00 0.00 1.07 0.00 0.00 42.92 41.51 3jur s ASP 239 CO -0.08 -1.02 0.21 1.23 1.18 0.00 0.00 175.17 176.70 3jur h GLY 240 N 2.28 -0.02 -6.35 0.21 0.00 -1.11 0.14 103.07 98.22 3jur h GLY 240 Ca -0.50 0.01 -0.50 0.00 0.00 0.00 0.00 47.33 46.34 3jur h GLY 240 CO 0.61 -0.01 -0.80 -0.42 0.00 0.00 0.00 176.54 175.92 3jur s ILE 241 N -1.50 0.97 -0.73 2.60 1.01 -0.20 -0.91 121.20 122.44 3jur s ILE 241 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3jur s ILE 241 Cb 0.00 -0.96 0.18 0.00 0.01 0.00 0.00 42.46 41.69 3jur s ILE 241 CO 0.01 0.34 0.54 -1.81 0.00 0.00 0.00 174.94 174.02 3jur s ASP 242 N 1.27 5.09 -0.22 3.58 1.01 0.06 -0.63 116.67 126.83 3jur s ASP 242 Ca -0.04 -3.69 -0.29 0.00 0.71 0.00 0.00 52.55 49.24 3jur s ASP 242 Cb -0.14 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 3jur s ASP 242 CO -0.03 -0.14 1.72 -2.84 0.21 0.00 0.00 175.17 174.09 3jur s PRO 243 N -1.25 3.69 -0.24 8.23 0.02 -1.14 -3.85 135.00 140.46 3jur s PRO 243 Ca 0.24 1.71 0.01 0.00 0.02 0.00 0.00 61.00 62.99 3jur s PRO 243 Cb -0.08 -4.10 0.04 0.00 0.02 0.00 0.00 34.50 30.38 3jur s PRO 243 CO -0.13 -1.43 -0.11 -2.00 -0.33 0.00 0.00 177.00 172.99 3jur s GLU 244 N 4.96 2.59 -1.49 5.54 2.12 -0.51 -0.62 118.70 131.29 3jur s GLU 244 Ca 0.76 -1.12 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 3jur s GLU 244 Cb -0.26 -2.85 0.08 0.00 0.26 0.00 0.00 34.13 31.36 3jur s GLU 244 CO 0.31 -0.44 0.81 0.43 -0.54 0.00 0.00 175.26 175.84 3jur n SER 245 N 4.55 -4.55 -4.93 -1.70 7.64 -0.51 -0.87 113.62 113.26 3jur n SER 245 Ca -0.16 -0.66 -0.28 0.00 1.01 0.00 0.00 58.87 58.77 3jur n SER 245 Cb 0.45 -3.67 -0.03 0.00 -1.01 0.00 0.00 64.21 59.95 3jur n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jur s LYS 247 N -3.04 1.15 -0.34 0.00 2.20 -0.66 -1.20 119.74 117.84 3jur s LYS 247 Ca 0.37 -0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.62 3jur s LYS 247 Cb -0.12 -1.03 0.01 0.00 -1.51 0.00 0.00 37.83 35.18 3jur s LYS 247 CO 0.28 0.03 0.30 0.66 -0.36 0.00 0.00 175.35 176.27 3jur n TYR 248 N 3.67 -3.34 -4.14 4.03 4.01 -0.93 -2.37 117.16 118.08 3jur n TYR 248 Ca -0.22 1.41 -0.15 0.00 -0.16 0.00 0.00 57.90 58.78 3jur n TYR 248 Cb 0.52 -3.80 -0.14 0.00 -0.31 0.00 0.00 39.34 35.61 3jur n TYR 248 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3jur s MET 249 N -2.02 0.44 -0.09 -0.72 1.75 -0.72 -2.14 119.30 115.81 3jur s MET 249 Ca 0.13 -0.29 0.04 0.00 -1.25 0.00 0.00 55.69 54.31 3jur s MET 249 Cb -0.04 -0.39 0.00 0.00 2.84 0.00 0.00 34.83 37.25 3jur s MET 249 CO 0.70 0.10 -0.22 -1.17 -0.65 0.00 0.00 175.02 173.78 3jur s LEU 250 N -0.38 2.01 -0.20 4.11 2.96 -0.19 -0.25 118.68 126.73 3jur s LEU 250 Ca -0.00 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3jur s LEU 250 Cb -0.03 -1.30 0.05 0.00 0.50 0.00 0.00 46.19 45.40 3jur s LEU 250 CO -0.00 0.14 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.45 3jur s ILE 251 N 0.41 1.52 0.00 6.68 1.01 0.31 -1.08 121.20 130.05 3jur s ILE 251 Ca -0.18 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.42 3jur s ILE 251 Cb -0.18 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3jur s ILE 251 CO 0.08 0.11 0.15 -1.83 0.00 0.00 0.00 174.94 173.45 3jur s GLU 252 N 1.44 0.50 -1.87 2.79 -1.05 -0.70 -0.86 118.70 118.95 3jur s GLU 252 Ca -0.02 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 3jur s GLU 252 Cb -0.16 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 3jur s GLU 252 CO -0.08 -0.12 0.00 1.63 0.95 0.00 0.00 175.26 177.64 3jur n LYS 253 N 1.41 -1.59 -3.38 -4.83 4.76 -1.02 -2.30 118.16 111.22 3jur n LYS 253 Ca -0.23 1.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.99 3jur n LYS 253 Cb 0.56 -5.54 -0.03 0.00 -1.84 0.00 0.00 35.03 28.18 3jur n LYS 253 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3jur s ARG 255 N -3.73 2.99 -0.05 0.00 6.06 -0.22 -0.63 118.95 123.38 3jur s ARG 255 Ca 0.42 -0.73 0.03 0.00 -2.50 0.00 0.00 55.73 52.95 3jur s ARG 255 Cb -0.10 -2.47 0.01 0.00 0.06 0.00 0.00 34.95 32.44 3jur s ARG 255 CO 0.32 0.35 -0.12 -0.06 -2.50 0.00 0.00 175.30 173.29 3jur s PHE 256 N -0.03 1.37 -0.24 5.12 0.08 -0.21 -0.68 117.98 123.39 3jur s PHE 256 Ca -0.04 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.53 3jur s PHE 256 Cb -0.14 -0.99 0.08 0.00 -0.57 0.00 0.00 43.02 41.39 3jur s PHE 256 CO 0.04 -0.22 0.06 0.34 -0.10 0.00 0.00 175.22 175.35 3jur s ASP 257 N 0.48 3.38 0.16 1.36 2.15 0.51 -2.01 116.67 122.71 3jur s ASP 257 Ca -0.10 -1.15 0.10 0.00 0.43 0.00 0.00 52.55 51.82 3jur s ASP 257 Cb -0.14 -0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 41.76 3jur s ASP 257 CO 0.03 -0.35 -0.23 0.42 -0.17 0.00 0.00 175.17 174.87 3jur s THR 258 N 1.79 2.12 -0.57 1.71 -4.23 -1.26 -1.52 115.64 113.67 3jur s THR 258 Ca 0.03 -1.88 0.24 0.00 -1.18 0.00 0.00 61.69 58.90 3jur s THR 258 Cb -0.17 -1.95 0.21 0.00 1.34 0.00 0.00 72.50 71.92 3jur s THR 258 CO -0.17 -0.12 1.53 1.23 -0.54 0.00 0.00 174.62 176.55 3jur h GLY 259 N 3.46 0.00 0.00 3.99 0.00 -0.78 -2.58 103.07 107.16 3jur h GLY 259 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3jur h GLY 259 CO 0.46 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.34 3jur n ASP 260 N -2.50 0.00 -4.74 0.19 -0.08 -1.16 -4.60 116.55 103.67 3jur n ASP 260 Ca 0.04 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.90 3jur n ASP 260 Cb 0.47 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.93 3jur n ASP 260 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3jur n ASP 261 N 0.00 3.36 -0.03 1.67 8.00 -1.26 -1.92 116.55 126.36 3jur n ASP 261 Ca 0.00 1.20 -0.00 0.00 0.71 0.00 0.00 54.79 56.70 3jur n ASP 261 Cb 0.00 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 39.55 3jur n ASP 261 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3jur h SER 262 N 3.16 -0.01 -3.35 -2.24 0.02 -1.29 -2.71 113.55 107.12 3jur h SER 262 Ca -0.48 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.80 3jur h SER 262 Cb 1.26 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.46 3jur h SER 262 CO 0.66 0.36 -0.80 -0.69 -1.14 0.00 0.00 176.83 175.23 3jur s VAL 263 N -1.45 2.49 -0.18 2.27 1.01 -1.10 -1.03 120.40 122.41 3jur s VAL 263 Ca -0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 3jur s VAL 263 Cb 0.00 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.24 3jur s VAL 263 CO 0.00 0.34 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 3jur s VAL 264 N 1.30 1.23 -0.16 2.92 1.01 0.20 -0.41 120.40 126.49 3jur s VAL 264 Ca 0.02 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 3jur s VAL 264 Cb -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3jur s VAL 264 CO -0.08 0.11 0.36 -0.63 0.00 0.00 0.00 175.10 174.87 3jur s ILE 265 N 1.57 5.25 0.29 2.22 1.01 0.27 -2.90 121.20 128.91 3jur s ILE 265 Ca -0.00 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.37 3jur s ILE 265 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3jur s ILE 265 CO -0.08 0.35 0.15 -0.54 0.00 0.00 0.00 174.94 174.82 3jur s LYS 266 N 0.67 1.53 -0.16 2.79 1.02 0.21 -1.20 119.74 124.60 3jur s LYS 266 Ca 0.20 -1.86 0.06 0.00 0.02 0.00 0.00 55.97 54.38 3jur s LYS 266 Cb -0.14 -0.05 0.19 0.00 -0.52 0.00 0.00 37.83 37.31 3jur s LYS 266 CO 0.06 -0.43 1.04 -1.13 -0.92 0.00 0.00 175.35 173.97 3jur n SER 267 N -0.82 -0.89 0.00 2.83 3.41 0.15 -1.42 113.62 116.88 3jur n SER 267 Ca 0.01 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3jur n SER 267 Cb 0.65 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 3jur n SER 267 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jur n GLY 268 N -0.72 0.41 3.33 5.00 0.00 -1.18 -2.00 105.19 110.04 3jur n GLY 268 Ca -0.14 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3jur n GLY 268 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jur s ARG 269 N -3.08 3.02 2.67 1.61 3.52 -0.42 -1.40 118.95 124.87 3jur s ARG 269 Ca 0.00 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 3jur s ARG 269 Cb 0.00 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 3jur s ARG 269 CO 0.00 0.30 0.00 -0.25 -0.81 0.00 0.00 175.30 174.54 3jur n ASP 270 N 3.24 0.00 -0.27 -2.12 8.00 -1.26 -1.92 116.55 122.22 3jur n ASP 270 Ca -0.18 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 3jur n ASP 270 Cb 0.53 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.85 3jur n ASP 270 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jur h ALA 271 N -0.45 1.14 -0.72 2.24 0.00 -1.90 -0.67 119.26 118.90 3jur h ALA 271 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3jur h ALA 271 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3jur h ALA 271 CO 0.00 -0.29 0.28 0.22 0.00 0.00 0.00 179.25 179.46 3jur h ASP 272 N 0.38 1.01 -0.69 0.00 3.58 -1.78 0.12 116.42 119.04 3jur h ASP 272 Ca 0.46 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.66 3jur h ASP 272 Cb 0.78 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3jur h ASP 272 CO -0.48 0.91 0.15 1.23 -2.88 0.00 0.00 179.24 178.17 3jur h GLY 273 N 1.04 1.20 1.32 -0.78 0.00 -0.51 -2.45 103.07 102.89 3jur h GLY 273 Ca 0.24 -0.77 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 3jur h GLY 273 CO -0.02 0.72 -0.42 3.21 0.00 0.00 0.00 176.54 180.03 3jur h ARG 274 N 1.05 0.74 0.21 4.80 3.08 -0.84 -1.12 114.38 122.30 3jur h ARG 274 Ca 0.21 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3jur h ARG 274 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3jur h ARG 274 CO 0.01 1.02 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.66 3jur h ARG 275 N 0.60 -0.39 -0.50 0.04 2.43 -0.67 -3.02 114.38 112.88 3jur h ARG 275 Ca 0.04 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 3jur h ARG 275 Cb 0.97 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3jur h ARG 275 CO 0.09 -0.26 -0.12 0.82 -1.51 0.00 0.00 179.97 178.99 3jur h ILE 276 N -0.40 1.27 -5.59 1.20 2.04 -1.50 -3.47 117.51 111.06 3jur h ILE 276 Ca -0.01 -1.27 -0.42 0.00 1.00 0.00 0.00 64.86 64.16 3jur h ILE 276 Cb 0.36 1.05 0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3jur h ILE 276 CO -0.02 0.44 -0.67 0.61 0.00 0.00 0.00 178.15 178.51 3jur n GLY 277 N -0.22 -0.52 3.26 5.37 0.00 -0.42 -4.99 105.19 107.67 3jur n GLY 277 Ca 0.01 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3jur n GLY 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 278 N -3.22 2.88 0.56 1.61 1.01 -1.26 -5.01 120.40 116.97 3jur s VAL 278 Ca 0.52 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 3jur s VAL 278 Cb -0.25 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3jur s VAL 278 CO 0.64 0.48 0.96 -2.16 0.00 0.00 0.00 175.10 175.02 3jur s PRO 279 N 1.19 3.69 0.01 2.72 0.04 -1.16 -4.55 135.00 136.94 3jur s PRO 279 Ca 0.02 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 61.50 3jur s PRO 279 Cb -0.14 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3jur s PRO 279 CO -0.04 -0.40 0.84 -1.12 0.04 0.00 0.00 177.00 176.31 3jur s SER 280 N -3.81 7.24 -0.03 6.66 0.01 -0.79 -4.07 113.70 118.91 3jur s SER 280 Ca 0.55 1.49 -0.27 0.00 1.31 0.00 0.00 55.95 59.03 3jur s SER 280 Cb -0.11 -2.50 0.06 0.00 0.21 0.00 0.00 66.02 63.68 3jur s SER 280 CO 0.45 -0.11 0.58 -1.83 0.41 0.00 0.00 173.24 172.75 3jur s GLU 281 N 0.46 0.97 -1.01 12.44 -1.05 -0.34 -1.96 118.70 128.21 3jur s GLU 281 Ca 0.43 0.11 -0.06 0.00 -0.15 0.00 0.00 54.97 55.31 3jur s GLU 281 Cb -0.20 0.45 -0.07 0.00 -0.44 0.00 0.00 34.13 33.87 3jur s GLU 281 CO 0.24 -0.30 0.89 0.66 0.95 0.00 0.00 175.26 177.69 3jur n TYR 282 N 0.95 -2.38 -4.34 4.83 4.01 -0.39 -2.29 117.16 117.55 3jur n TYR 282 Ca -0.20 0.83 -0.34 0.00 -0.16 0.00 0.00 57.90 58.03 3jur n TYR 282 Cb 0.57 -4.07 -0.14 0.00 -0.31 0.00 0.00 39.34 35.39 3jur n TYR 282 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3jur s ILE 283 N -3.38 3.17 -0.20 -0.72 -1.09 -1.06 -1.75 121.20 116.17 3jur s ILE 283 Ca 0.44 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 3jur s ILE 283 Cb -0.06 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.43 3jur s ILE 283 CO 0.71 0.48 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.63 3jur s LEU 284 N 0.88 2.89 -0.27 2.97 2.96 0.65 -1.30 118.68 127.45 3jur s LEU 284 Ca -0.02 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3jur s LEU 284 Cb -0.15 -1.72 0.07 0.00 0.50 0.00 0.00 46.19 44.89 3jur s LEU 284 CO 0.00 0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.30 3jur s VAL 285 N 1.22 2.07 0.02 1.68 1.01 0.46 -0.53 120.40 126.33 3jur s VAL 285 Ca 0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 3jur s VAL 285 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3jur s VAL 285 CO -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 175.10 175.00 3jur s ARG 286 N 1.12 0.48 -1.49 2.72 1.70 -0.04 -0.65 118.95 122.80 3jur s ARG 286 Ca -0.05 -0.65 -0.03 0.00 -0.47 0.00 0.00 55.73 54.53 3jur s ARG 286 Cb -0.20 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.38 3jur s ARG 286 CO -0.06 -0.11 0.24 -0.25 -1.08 0.00 0.00 175.30 174.04 3jur n ASP 287 N 1.14 -5.24 -4.97 -2.89 8.00 -0.93 -2.70 116.55 108.96 3jur n ASP 287 Ca -0.21 -0.09 -0.21 0.00 0.71 0.00 0.00 54.79 54.99 3jur n ASP 287 Cb 0.57 -4.33 -0.01 0.00 -0.02 0.00 0.00 41.12 37.33 3jur n ASP 287 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3jur s ASN 288 N -2.32 6.17 -0.12 -2.24 0.01 -1.26 -2.42 114.94 112.76 3jur s ASN 288 Ca 0.14 0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.37 3jur s ASN 288 Cb -0.07 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.95 3jur s ASN 288 CO 0.17 -0.28 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.22 3jur s LEU 289 N -4.16 1.14 -0.27 0.60 2.96 0.19 -0.93 118.68 118.22 3jur s LEU 289 Ca 0.40 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3jur s LEU 289 Cb -0.09 -0.75 0.02 0.00 0.50 0.00 0.00 46.19 45.86 3jur s LEU 289 CO 0.32 -0.16 0.01 -0.69 -1.32 0.00 0.00 176.35 174.50 3jur s VAL 290 N 1.76 3.40 -0.35 1.68 1.01 0.30 -1.04 120.40 127.16 3jur s VAL 290 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3jur s VAL 290 Cb -0.13 -2.74 0.10 0.00 0.00 0.00 0.00 36.38 33.61 3jur s VAL 290 CO -0.07 0.15 0.07 -0.63 0.00 0.00 0.00 175.10 174.62 3jur s ILE 291 N 1.41 2.40 -0.30 2.22 1.01 -0.85 0.46 121.20 127.55 3jur s ILE 291 Ca 0.01 -2.32 0.06 0.00 0.00 0.00 0.00 60.65 58.40 3jur s ILE 291 Cb -0.17 -2.76 0.20 0.00 0.01 0.00 0.00 42.46 39.74 3jur s ILE 291 CO -0.01 -0.61 0.61 -0.55 0.00 0.00 0.00 174.94 174.37 3jur s SER 292 N 1.00 -1.59 0.29 3.58 0.15 -0.30 -4.48 113.70 112.35 3jur s SER 292 Ca 0.11 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.90 3jur s SER 292 Cb -0.19 2.01 0.57 0.00 -1.71 0.00 0.00 66.02 66.69 3jur s SER 292 CO -0.08 -0.28 1.84 -0.61 1.20 0.00 0.00 173.24 175.31 3jur h GLN 293 N 7.90 0.95 0.00 5.44 5.75 -1.77 -2.86 115.11 130.53 3jur h GLN 293 Ca -0.01 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 3jur h GLN 293 Cb 1.19 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.52 3jur h GLN 293 CO 0.14 0.63 -0.14 0.00 -2.65 0.00 0.00 178.83 176.81 3jur h ALA 294 N 1.54 0.97 -2.71 3.38 0.00 -1.84 -3.41 119.26 117.20 3jur h ALA 294 Ca 0.49 -0.13 -0.52 0.00 0.00 0.00 0.00 54.91 54.75 3jur h ALA 294 Cb 0.49 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.32 3jur h ALA 294 CO -0.25 0.17 0.92 0.45 0.00 0.00 0.00 179.25 180.55 3jur s SER 295 N -6.07 6.43 0.00 0.00 0.15 -0.97 -4.37 113.70 108.87 3jur s SER 295 Ca 0.02 2.84 0.28 0.00 0.70 0.00 0.00 55.95 59.80 3jur s SER 295 Cb 0.08 -2.61 1.13 0.00 -1.71 0.00 0.00 66.02 62.91 3jur s SER 295 CO 0.63 -0.91 1.82 1.41 1.20 0.00 0.00 173.24 177.39 3jur n HIS 296 N 3.17 0.00 0.00 3.44 -0.00 -0.81 -1.21 115.22 119.81 3jur n HIS 296 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 3jur n HIS 296 Cb 0.37 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 3jur n HIS 296 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3jur n GLY 297 N 1.39 1.77 0.07 -1.41 0.00 -1.25 -3.99 105.19 101.76 3jur n GLY 297 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 3jur n GLY 297 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jur h GLY 298 N 0.00 -0.06 -6.41 -0.02 0.00 -0.40 -0.50 103.07 95.68 3jur h GLY 298 Ca 0.00 0.02 -0.67 0.00 0.00 0.00 0.00 47.33 46.69 3jur h GLY 298 CO 0.00 -0.02 -0.82 -2.27 0.00 0.00 0.00 176.54 173.43 3jur s LEU 299 N -8.61 2.46 -0.02 3.11 2.96 0.33 -2.71 118.68 116.20 3jur s LEU 299 Ca -0.01 -0.66 0.06 0.00 -0.22 0.00 0.00 54.13 53.30 3jur s LEU 299 Cb 0.00 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 3jur s LEU 299 CO 0.03 -0.03 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.14 3jur s VAL 300 N 1.32 1.59 -0.11 1.68 1.01 0.45 -1.31 120.40 125.03 3jur s VAL 300 Ca 0.04 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3jur s VAL 300 Cb -0.14 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3jur s VAL 300 CO -0.10 0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.63 3jur s ILE 301 N -0.34 2.44 0.00 2.22 -1.09 0.88 -0.57 121.20 124.74 3jur s ILE 301 Ca 0.05 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3jur s ILE 301 Cb -0.09 -1.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 3jur s ILE 301 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3jur n GLY 302 N 3.56 -1.89 0.07 6.18 0.00 -0.34 -0.85 105.19 111.91 3jur n GLY 302 Ca -0.19 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.08 3jur n GLY 302 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jur n SER 303 N 0.27 0.59 -4.55 1.61 3.41 -1.26 -4.76 113.62 108.93 3jur n SER 303 Ca 0.00 0.40 -0.43 0.00 -0.26 0.00 0.00 58.87 58.58 3jur n SER 303 Cb 0.00 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3jur n SER 303 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jur s GLU 304 N -3.08 3.96 -0.12 4.33 8.01 -1.26 -4.61 118.70 125.93 3jur s GLU 304 Ca 0.10 -2.02 0.15 0.00 0.01 0.00 0.00 54.97 53.21 3jur s GLU 304 Cb 0.14 -5.41 0.32 0.00 -4.31 0.00 0.00 34.13 24.88 3jur s GLU 304 CO 0.62 -2.14 1.16 0.00 0.01 0.00 0.00 175.26 174.90 3jur n MET 305 N 7.84 0.99 0.31 1.61 0.00 -1.09 0.30 117.12 127.07 3jur n MET 305 Ca 0.44 -2.53 0.19 0.00 0.00 0.00 0.00 57.70 55.81 3jur n MET 305 Cb 0.46 -1.13 1.00 0.00 0.00 0.00 0.00 33.22 33.54 3jur n MET 305 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3jur h SER 306 N 0.56 0.00 0.71 3.17 0.02 -1.39 0.78 113.55 117.39 3jur h SER 306 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3jur h SER 306 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3jur h SER 306 CO 0.02 0.02 -0.28 0.61 -1.14 0.00 0.00 176.83 176.06 3jur n GLY 307 N -0.81 -1.34 0.00 -3.77 0.00 -0.84 -3.81 105.19 94.61 3jur n GLY 307 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3jur n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 308 N 1.49 2.19 2.80 -0.02 0.00 0.27 -2.99 105.19 108.93 3jur n GLY 308 Ca 0.06 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 3jur n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 309 N -1.81 0.28 0.08 1.61 1.01 -0.01 -1.88 120.40 119.67 3jur s VAL 309 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 3jur s VAL 309 Cb 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3jur s VAL 309 CO 0.00 0.20 0.19 0.00 0.00 0.00 0.00 175.10 175.49 3jur s ARG 310 N 1.44 0.81 -0.96 2.72 1.70 -0.83 -1.37 118.95 122.46 3jur s ARG 310 Ca -0.04 -0.88 -0.09 0.00 -0.47 0.00 0.00 55.73 54.26 3jur s ARG 310 Cb -0.13 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 3jur s ARG 310 CO -0.03 -0.25 0.77 0.09 -1.08 0.00 0.00 175.30 174.81 3jur n ASN 311 N 0.12 -6.32 -4.25 -2.89 3.02 -0.70 -3.17 115.26 101.07 3jur n ASN 311 Ca -0.16 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.40 3jur n ASN 311 Cb 0.62 -4.17 -0.16 0.00 -0.61 0.00 0.00 39.78 35.45 3jur n ASN 311 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 312 N -3.25 2.43 -0.17 2.41 1.01 -0.85 -1.26 120.40 120.72 3jur s VAL 312 Ca 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3jur s VAL 312 Cb -0.07 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3jur s VAL 312 CO 0.80 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 175.58 3jur s VAL 313 N 0.60 2.43 -0.30 2.92 1.01 -0.42 -0.05 120.40 126.58 3jur s VAL 313 Ca -0.11 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3jur s VAL 313 Cb -0.16 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.25 3jur s VAL 313 CO 0.03 0.52 -0.00 0.00 0.00 0.00 0.00 175.10 175.65 3jur s ALA 314 N 1.06 2.80 -0.03 5.51 0.00 0.83 -0.40 121.76 131.52 3jur s ALA 314 Ca -0.01 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.14 3jur s ALA 314 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 3jur s ALA 314 CO -0.05 -1.32 -0.17 0.50 0.00 0.00 0.00 175.76 174.72 3jur s ARG 315 N 1.20 1.55 -1.34 0.00 3.52 0.18 -0.79 118.95 123.27 3jur s ARG 315 Ca -0.04 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 54.90 3jur s ARG 315 Cb -0.20 -1.43 0.02 0.00 -1.56 0.00 0.00 34.95 31.78 3jur s ARG 315 CO -0.02 0.31 0.94 -1.71 -0.81 0.00 0.00 175.30 174.01 3jur n ASN 316 N 2.87 -3.26 -4.92 -2.12 5.15 -0.76 -2.45 115.26 109.78 3jur n ASN 316 Ca -0.16 -0.70 -0.23 0.00 -0.60 0.00 0.00 54.58 52.89 3jur n ASN 316 Cb 0.54 -4.51 -0.03 0.00 -0.53 0.00 0.00 39.78 35.24 3jur n ASN 316 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3jur s ASN 317 N -3.92 6.08 -0.14 1.20 0.01 -1.26 -2.20 114.94 114.72 3jur s ASN 317 Ca 0.26 0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.44 3jur s ASN 317 Cb -0.12 -1.74 0.02 0.00 0.41 0.00 0.00 41.25 39.81 3jur s ASN 317 CO 0.78 -0.02 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.49 3jur s VAL 318 N -1.93 1.67 -0.14 1.60 1.01 -0.11 -1.46 120.40 121.05 3jur s VAL 318 Ca 0.34 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3jur s VAL 318 Cb -0.09 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3jur s VAL 318 CO 0.27 0.48 -0.20 -0.31 0.00 0.00 0.00 175.10 175.34 3jur s TYR 319 N 1.17 2.69 -0.07 5.22 2.02 0.51 -0.54 117.35 128.35 3jur s TYR 319 Ca -0.01 -1.19 0.02 0.00 -0.37 0.00 0.00 57.07 55.52 3jur s TYR 319 Cb -0.14 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3jur s TYR 319 CO -0.06 -0.53 -0.11 -1.64 -1.57 0.00 0.00 175.55 171.64 3jur s MET 320 N 0.72 1.66 0.00 -0.62 -1.94 0.17 -0.40 119.30 118.89 3jur s MET 320 Ca -0.09 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 3jur s MET 320 Cb -0.16 -1.41 0.00 0.00 2.01 0.00 0.00 34.83 35.27 3jur s MET 320 CO 0.01 -0.01 0.00 0.09 -0.01 0.00 0.00 175.02 175.09 3jur n ASN 321 N 3.96 -1.18 -4.77 3.03 3.02 0.14 -1.15 115.26 118.31 3jur n ASN 321 Ca -0.22 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.02 3jur n ASN 321 Cb 0.51 -1.15 0.08 0.00 -0.61 0.00 0.00 39.78 38.62 3jur n ASN 321 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3jur s VAL 322 N -2.51 3.26 0.15 2.41 -7.23 -1.19 -3.87 120.40 111.43 3jur s VAL 322 Ca 0.00 0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.53 3jur s VAL 322 Cb 0.00 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 3jur s VAL 322 CO 0.00 -0.48 1.50 -0.33 -0.31 0.00 0.00 175.10 175.48 3jur h GLU 323 N -0.74 0.96 -3.31 4.82 5.08 -1.39 -1.66 114.58 118.34 3jur h GLU 323 Ca -0.45 -0.47 -0.16 0.00 -1.00 0.00 0.00 59.36 57.28 3jur h GLU 323 Cb 1.24 -0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 3jur h GLU 323 CO 0.52 1.13 -0.47 1.03 -1.00 0.00 0.00 179.01 180.23 3jur s ARG 324 N -4.50 0.36 -0.16 2.33 0.52 -1.25 -0.83 118.95 115.42 3jur s ARG 324 Ca -0.11 0.02 -0.18 0.00 -0.52 0.00 0.00 55.73 54.93 3jur s ARG 324 Cb 0.11 0.16 -0.16 0.00 0.52 0.00 0.00 34.95 35.59 3jur s ARG 324 CO 0.88 -0.07 0.30 0.00 0.02 0.00 0.00 175.30 176.43 3jur h ALA 325 N 5.15 0.09 -3.35 2.13 0.00 -1.44 0.18 119.26 122.02 3jur h ALA 325 Ca -0.28 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.41 3jur h ALA 325 Cb 1.19 0.33 -0.34 0.00 0.00 0.00 0.00 17.79 18.97 3jur h ALA 325 CO 0.39 0.32 -0.83 -1.17 0.00 0.00 0.00 179.25 177.95 3jur s LEU 326 N -8.16 1.75 -0.05 0.00 2.96 -0.75 -0.51 118.68 113.91 3jur s LEU 326 Ca -0.18 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 3jur s LEU 326 Cb 0.01 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.70 3jur s LEU 326 CO 0.47 0.05 0.03 -0.60 -1.32 0.00 0.00 176.35 174.98 3jur s ARG 327 N 0.73 0.24 -0.18 1.98 3.52 -0.43 -0.81 118.95 124.01 3jur s ARG 327 Ca -0.12 0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.70 3jur s ARG 327 Cb -0.16 -0.71 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 3jur s ARG 327 CO 0.03 -0.31 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.62 3jur s LEU 328 N 2.01 2.81 -0.06 -0.88 1.02 0.36 -0.09 118.68 123.86 3jur s LEU 328 Ca 0.04 -0.36 0.04 0.00 0.02 0.00 0.00 54.13 53.87 3jur s LEU 328 Cb -0.12 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.41 3jur s LEU 328 CO -0.04 0.07 -0.17 -0.54 0.02 0.00 0.00 176.35 175.69 3jur s LYS 329 N 0.92 1.96 0.24 1.70 1.02 -0.03 -0.81 119.74 124.74 3jur s LYS 329 Ca -0.02 -0.60 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 3jur s LYS 329 Cb -0.15 -1.64 0.06 0.00 -0.52 0.00 0.00 37.83 35.59 3jur s LYS 329 CO 0.00 0.18 0.92 -0.08 -0.92 0.00 0.00 175.35 175.46 3jur s THR 330 N 0.23 0.00 0.38 2.17 -1.32 -0.59 -3.98 115.64 112.53 3jur s THR 330 Ca -0.09 -0.75 -0.11 0.00 -1.21 0.00 0.00 61.69 59.53 3jur s THR 330 Cb -0.14 -2.58 0.04 0.00 -1.51 0.00 0.00 72.50 68.32 3jur s THR 330 CO 0.04 0.00 0.69 0.54 -2.21 0.00 0.00 174.62 173.68 3jur s ASN 331 N -3.16 0.34 0.00 8.08 2.20 -1.26 -1.70 114.94 119.44 3jur s ASN 331 Ca 0.17 -1.28 0.15 0.00 -0.94 0.00 0.00 52.86 50.95 3jur s ASN 331 Cb -0.03 0.80 0.87 0.00 -2.00 0.00 0.00 41.25 40.88 3jur s ASN 331 CO 0.06 -1.58 1.52 -1.54 -2.94 0.00 0.00 177.10 172.63 3jur n SER 332 N -1.46 0.00 0.12 3.54 3.41 -1.26 -1.83 113.62 116.13 3jur n SER 332 Ca -0.05 -1.44 0.12 0.00 -0.26 0.00 0.00 58.87 57.23 3jur n SER 332 Cb 0.60 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.67 3jur n SER 332 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3jur h ARG 333 N 0.00 0.00 0.13 4.33 2.47 -1.78 0.88 114.38 120.41 3jur h ARG 333 Ca 0.00 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 3jur h ARG 333 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3jur h ARG 333 CO 0.00 0.00 -1.56 0.00 0.56 0.00 0.00 179.97 178.97 3jur h ARG 334 N 0.00 0.28 0.00 0.04 2.47 -1.47 -3.41 114.38 112.29 3jur h ARG 334 Ca 0.00 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3jur h ARG 334 Cb 0.90 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3jur h ARG 334 CO 0.00 1.15 0.00 0.41 0.56 0.00 0.00 179.97 182.09 3jur n GLY 335 N 1.70 1.29 7.00 0.04 0.00 0.43 -4.32 105.19 111.32 3jur n GLY 335 Ca -0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3jur n GLY 335 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 336 N 0.00 0.37 3.30 -0.02 0.00 -1.25 -4.32 105.19 103.27 3jur n GLY 336 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 3jur n GLY 336 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jur s TYR 337 N 0.00 -0.18 -0.09 1.61 -0.85 -1.25 -1.64 117.35 114.95 3jur s TYR 337 Ca 0.00 -0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.51 3jur s TYR 337 Cb 0.00 0.20 0.03 0.00 0.38 0.00 0.00 41.96 42.56 3jur s TYR 337 CO 0.00 -0.62 -0.04 -1.64 -1.52 0.00 0.00 175.55 171.73 3jur s MET 338 N -3.21 1.08 0.05 -3.49 1.00 0.35 -0.83 119.30 114.24 3jur s MET 338 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 55.69 55.34 3jur s MET 338 Cb 0.01 -1.26 0.06 0.00 0.00 0.00 0.00 34.83 33.64 3jur s MET 338 CO -0.08 -0.26 0.60 -1.83 0.00 0.00 0.00 175.02 173.45 3jur s GLU 339 N 1.75 1.12 -1.12 2.03 -1.05 -0.47 -2.15 118.70 118.81 3jur s GLU 339 Ca 0.03 -0.14 -0.09 0.00 -0.15 0.00 0.00 54.97 54.62 3jur s GLU 339 Cb -0.13 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.05 3jur s GLU 339 CO -0.06 -0.42 0.86 0.09 0.95 0.00 0.00 175.26 176.68 3jur n ASN 340 N 0.32 -5.09 -4.48 0.83 4.13 -0.28 -2.75 115.26 107.93 3jur n ASN 340 Ca -0.18 -0.81 -0.35 0.00 1.68 0.00 0.00 54.58 54.92 3jur n ASN 340 Cb 0.61 -4.52 -0.12 0.00 -1.54 0.00 0.00 39.78 34.21 3jur n ASN 340 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3jur s ILE 341 N -3.45 4.19 -0.20 2.41 -1.09 -0.95 -1.73 121.20 120.39 3jur s ILE 341 Ca 0.36 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.56 3jur s ILE 341 Cb -0.08 -2.91 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 3jur s ILE 341 CO 0.78 0.41 -0.17 -0.36 -1.23 0.00 0.00 174.94 174.38 3jur s PHE 342 N 1.01 2.88 -0.50 3.97 0.08 0.93 -0.80 117.98 125.55 3jur s PHE 342 Ca 0.03 -1.70 0.03 0.00 0.12 0.00 0.00 56.93 55.40 3jur s PHE 342 Cb -0.14 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.49 3jur s PHE 342 CO 0.02 -0.80 0.24 0.12 -0.10 0.00 0.00 175.22 174.71 3jur s PHE 343 N 1.28 3.32 -0.04 0.36 5.36 0.67 -0.12 117.98 128.80 3jur s PHE 343 Ca 0.03 -3.08 0.06 0.00 -0.96 0.00 0.00 56.93 52.98 3jur s PHE 343 Cb -0.14 -2.89 -0.01 0.00 -0.34 0.00 0.00 43.02 39.63 3jur s PHE 343 CO -0.11 -0.79 -0.23 0.42 -1.46 0.00 0.00 175.22 173.06 3jur s ILE 344 N -0.04 1.84 -1.56 3.12 -1.09 0.03 -1.87 121.20 121.63 3jur s ILE 344 Ca 0.16 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 3jur s ILE 344 Cb -0.24 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 3jur s ILE 344 CO -0.02 0.52 0.07 0.47 -1.23 0.00 0.00 174.94 174.75 3jur n ASP 345 N 2.90 -5.41 -4.92 3.58 8.00 -0.15 -1.83 116.55 118.72 3jur n ASP 345 Ca -0.17 -0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.01 3jur n ASP 345 Cb 0.52 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.16 3jur n ASP 345 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3jur s ASN 346 N -2.24 6.39 -0.08 -2.24 0.01 -1.18 -3.30 114.94 112.30 3jur s ASN 346 Ca 0.04 0.50 0.04 0.00 -0.71 0.00 0.00 52.86 52.72 3jur s ASN 346 Cb -0.02 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.60 3jur s ASN 346 CO 0.05 -0.13 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.62 3jur s VAL 347 N -2.00 1.72 -0.11 1.60 1.01 -0.53 -1.85 120.40 120.23 3jur s VAL 347 Ca 0.40 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3jur s VAL 347 Cb -0.11 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3jur s VAL 347 CO 0.30 0.49 -0.07 0.00 0.00 0.00 0.00 175.10 175.82 3jur s ALA 348 N 0.35 1.27 -0.06 5.51 0.00 -0.07 -0.36 121.76 128.40 3jur s ALA 348 Ca -0.15 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.37 3jur s ALA 348 Cb -0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3jur s ALA 348 CO 0.06 -0.42 -0.25 0.54 0.00 0.00 0.00 175.76 175.70 3jur s VAL 349 N 1.73 2.03 -1.29 0.00 0.11 0.46 -0.95 120.40 122.48 3jur s VAL 349 Ca 0.05 -1.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.01 3jur s VAL 349 Cb -0.13 -1.72 0.01 0.00 -1.53 0.00 0.00 36.38 33.01 3jur s VAL 349 CO -0.08 0.56 1.02 0.59 -3.33 0.00 0.00 175.10 173.87 3jur n ASN 350 N 3.05 -3.60 -4.75 3.54 3.02 -1.05 -0.68 115.26 114.79 3jur n ASN 350 Ca -0.18 -0.63 -0.41 0.00 -0.03 0.00 0.00 54.58 53.33 3jur n ASN 350 Cb 0.52 -4.86 -0.02 0.00 -0.61 0.00 0.00 39.78 34.81 3jur n ASN 350 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 351 N -3.38 2.32 -0.17 2.41 1.01 -0.65 -3.55 120.40 118.39 3jur s VAL 351 Ca 0.25 0.28 0.15 0.00 0.00 0.00 0.00 61.98 62.66 3jur s VAL 351 Cb -0.11 -3.18 -0.24 0.00 0.00 0.00 0.00 36.38 32.85 3jur s VAL 351 CO 0.75 0.05 0.16 -1.54 0.00 0.00 0.00 175.10 174.52 3jur n SER 352 N 2.04 0.35 0.00 3.32 3.41 -0.62 -1.36 113.62 120.76 3jur n SER 352 Ca 0.07 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3jur n SER 352 Cb 0.39 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 3jur n SER 352 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jur n GLU 353 N -2.86 0.00 -4.67 4.33 -0.58 -0.01 -3.52 120.64 113.33 3jur n GLU 353 Ca -0.31 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.18 3jur n GLU 353 Cb 1.13 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.83 3jur n GLU 353 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3jur s GLU 354 N 0.00 1.61 0.02 3.49 8.01 -0.89 -0.48 118.70 130.45 3jur s GLU 354 Ca 0.00 -0.49 -0.23 0.00 0.01 0.00 0.00 54.97 54.26 3jur s GLU 354 Cb 0.00 -1.38 -0.17 0.00 -4.31 0.00 0.00 34.13 28.27 3jur s GLU 354 CO 0.00 0.15 1.37 0.28 0.01 0.00 0.00 175.26 177.07 3jur h VAL 355 N 5.51 1.32 -3.17 2.63 2.07 -1.17 -3.25 116.25 120.19 3jur h VAL 355 Ca -0.32 -1.01 -0.60 0.00 0.82 0.00 0.00 66.70 65.59 3jur h VAL 355 Cb 1.18 1.86 -0.35 0.00 -1.52 0.00 0.00 31.29 32.46 3jur h VAL 355 CO 0.48 0.28 -0.83 -0.63 0.02 0.00 0.00 177.57 176.88 3jur s ILE 356 N -4.59 1.53 -0.10 4.57 1.01 -0.16 -1.81 121.20 121.66 3jur s ILE 356 Ca -0.15 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3jur s ILE 356 Cb 0.04 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.10 3jur s ILE 356 CO 0.70 0.45 -0.10 -0.60 0.00 0.00 0.00 174.94 175.39 3jur s ARG 357 N 1.32 1.71 -0.14 2.79 6.06 0.01 -1.24 118.95 129.46 3jur s ARG 357 Ca 0.01 -0.36 -0.00 0.00 -2.50 0.00 0.00 55.73 52.88 3jur s ARG 357 Cb -0.14 -1.60 0.03 0.00 0.06 0.00 0.00 34.95 33.31 3jur s ARG 357 CO -0.07 -0.15 -0.10 0.42 -2.50 0.00 0.00 175.30 172.90 3jur s ILE 358 N 1.26 1.27 -0.11 4.11 1.01 -0.17 -0.49 121.20 128.09 3jur s ILE 358 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3jur s ILE 358 Cb -0.14 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3jur s ILE 358 CO -0.04 0.37 -0.05 0.21 0.00 0.00 0.00 174.94 175.43 3jur s ASN 359 N 1.60 2.17 -0.14 3.58 2.47 0.01 -0.31 114.94 124.32 3jur s ASN 359 Ca 0.04 -0.32 0.16 0.00 0.42 0.00 0.00 52.86 53.16 3jur s ASN 359 Cb -0.13 -0.75 0.66 0.00 -1.45 0.00 0.00 41.25 39.58 3jur s ASN 359 CO -0.09 -0.15 1.58 0.18 -3.72 0.00 0.00 177.10 174.89 3jur n LEU 360 N 4.98 4.61 -1.05 3.21 4.32 -0.26 -1.54 117.00 131.27 3jur n LEU 360 Ca -0.11 -2.59 -0.01 0.00 -0.02 0.00 0.00 56.01 53.28 3jur n LEU 360 Cb 0.50 -0.56 0.15 0.00 -1.62 0.00 0.00 43.42 41.89 3jur n LEU 360 CO 0.15 0.75 0.28 0.54 -1.22 0.00 0.00 177.39 177.89 3jur n ARG 361 N 0.67 1.88 -1.66 3.23 1.74 -1.14 -4.13 116.66 117.26 3jur n ARG 361 Ca 0.24 -3.38 -0.47 0.00 -0.77 0.00 0.00 57.85 53.48 3jur n ARG 361 Cb 0.90 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 30.69 3jur n ARG 361 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3jur n TYR 362 N -0.87 2.18 -1.11 -1.55 9.36 -0.69 -1.24 117.16 123.25 3jur n TYR 362 Ca 0.23 0.32 -0.05 0.00 3.32 0.00 0.00 57.90 61.72 3jur n TYR 362 Cb 0.80 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 36.97 3jur n TYR 362 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3jur n ASP 363 N 3.21 -5.62 -3.90 2.98 8.00 -1.26 -3.05 116.55 116.90 3jur n ASP 363 Ca 0.17 0.12 -0.31 0.00 0.71 0.00 0.00 54.79 55.48 3jur n ASP 363 Cb 0.28 -3.68 0.01 0.00 -0.02 0.00 0.00 41.12 37.71 3jur n ASP 363 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3jur n ASN 364 N -0.93 -4.50 -4.53 -2.24 3.02 -0.37 -4.98 115.26 100.73 3jur n ASN 364 Ca -0.05 -0.77 -0.33 0.00 -0.03 0.00 0.00 54.58 53.40 3jur n ASN 364 Cb 0.52 -3.62 -0.12 0.00 -0.61 0.00 0.00 39.78 35.95 3jur n ASN 364 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3jur s GLU 365 N -6.60 2.51 0.13 3.52 2.02 -1.17 -5.13 118.70 113.98 3jur s GLU 365 Ca 0.65 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.99 3jur s GLU 365 Cb -0.33 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 3jur s GLU 365 CO 0.80 0.62 -0.14 -1.21 0.02 0.00 0.00 175.26 175.35 3jur s GLU 366 N -1.01 1.05 0.00 1.61 2.02 -1.26 -3.99 118.70 117.12 3jur s GLU 366 Ca 0.13 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3jur s GLU 366 Cb -0.11 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.21 3jur s GLU 366 CO 0.03 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.89 3jur n GLY 367 N 0.43 2.75 0.99 -1.39 0.00 -1.15 -4.59 105.19 102.23 3jur n GLY 367 Ca -0.15 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.37 3jur n GLY 367 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jur n GLU 368 N 0.00 3.01 -3.85 1.61 4.71 -1.06 -4.71 120.64 120.35 3jur n GLU 368 Ca 0.00 -2.43 -0.29 0.00 -0.01 0.00 0.00 57.16 54.43 3jur n GLU 368 Cb 0.00 -1.52 -0.13 0.00 -1.01 0.00 0.00 31.44 28.78 3jur n GLU 368 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3jur s TYR 369 N -1.39 3.04 -0.02 -0.32 2.02 0.28 -5.03 117.35 115.93 3jur s TYR 369 Ca 0.36 -3.08 -0.30 0.00 -0.37 0.00 0.00 57.07 53.68 3jur s TYR 369 Cb 0.21 -2.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.22 3jur s TYR 369 CO 0.20 -0.67 1.48 -0.51 -1.57 0.00 0.00 175.55 174.49 3jur s LEU 370 N -0.70 4.31 0.31 -1.29 1.43 -1.26 -0.43 118.68 121.05 3jur s LEU 370 Ca 0.22 2.16 -0.27 0.00 -1.03 0.00 0.00 54.13 55.20 3jur s LEU 370 Cb -0.14 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 3jur s LEU 370 CO -0.09 -0.80 1.00 -2.16 0.23 0.00 0.00 176.35 174.53 3jur s PRO 371 N 2.91 4.58 -0.33 1.29 0.04 -1.26 -4.63 135.00 137.59 3jur s PRO 371 Ca 0.67 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 3jur s PRO 371 Cb -0.32 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3jur s PRO 371 CO 0.27 0.24 0.73 0.08 0.04 0.00 0.00 177.00 178.35 3jur s VAL 372 N -1.43 4.82 -0.27 -0.36 1.01 -0.65 -4.99 120.40 118.53 3jur s VAL 372 Ca 0.48 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.42 3jur s VAL 372 Cb -0.24 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.10 3jur s VAL 372 CO 0.30 -0.29 0.00 -0.69 0.00 0.00 0.00 175.10 174.43 3jur s VAL 373 N 2.88 1.53 0.20 2.92 1.01 -1.26 -0.50 120.40 127.18 3jur s VAL 373 Ca 0.29 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 3jur s VAL 373 Cb -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3jur s VAL 373 CO 0.14 -0.34 0.48 0.00 0.00 0.00 0.00 175.10 175.38 3jur s ARG 374 N 1.35 1.36 -0.99 2.72 1.04 -0.91 -1.80 118.95 121.71 3jur s ARG 374 Ca 0.01 -0.95 -0.07 0.00 -1.04 0.00 0.00 55.73 53.68 3jur s ARG 374 Cb -0.18 0.49 -0.04 0.00 -2.04 0.00 0.00 34.95 33.18 3jur s ARG 374 CO -0.11 -0.57 0.84 0.43 -0.04 0.00 0.00 175.30 175.85 3jur n SER 375 N -0.32 -6.62 -4.41 -2.89 7.64 -0.94 -3.39 113.62 102.69 3jur n SER 375 Ca -0.09 -0.64 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 3jur n SER 375 Cb 0.62 -4.80 -0.14 0.00 -1.01 0.00 0.00 64.21 58.88 3jur n SER 375 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jur s VAL 376 N -3.31 3.37 -0.14 0.44 1.01 -0.99 -1.13 120.40 119.65 3jur s VAL 376 Ca 0.35 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3jur s VAL 376 Cb -0.07 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3jur s VAL 376 CO 0.77 0.50 -0.13 -0.36 0.00 0.00 0.00 175.10 175.88 3jur s PHE 377 N 0.47 2.08 -0.20 5.22 0.08 0.02 -1.31 117.98 124.34 3jur s PHE 377 Ca -0.07 -1.16 -0.03 0.00 0.12 0.00 0.00 56.93 55.79 3jur s PHE 377 Cb -0.15 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 3jur s PHE 377 CO 0.04 -0.65 -0.07 0.08 -0.10 0.00 0.00 175.22 174.52 3jur s VAL 378 N 1.52 3.28 -0.01 -0.44 1.01 0.19 -0.24 120.40 125.70 3jur s VAL 378 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3jur s VAL 378 Cb -0.13 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3jur s VAL 378 CO -0.10 0.45 -0.00 -0.75 0.00 0.00 0.00 175.10 174.70 3jur s LYS 379 N 1.20 0.13 -1.34 2.72 2.47 -0.78 -0.89 119.74 123.24 3jur s LYS 379 Ca 0.02 0.02 -0.06 0.00 -1.56 0.00 0.00 55.97 54.40 3jur s LYS 379 Cb -0.14 -0.22 0.02 0.00 -1.46 0.00 0.00 37.83 36.02 3jur s LYS 379 CO -0.02 -0.04 0.99 -1.71 0.16 0.00 0.00 175.35 174.73 3jur n ASN 380 N 3.50 -3.76 -4.75 1.43 5.15 -0.65 -0.98 115.26 115.20 3jur n ASN 380 Ca -0.19 -0.67 -0.39 0.00 -0.60 0.00 0.00 54.58 52.74 3jur n ASN 380 Cb 0.56 -4.63 -0.06 0.00 -0.53 0.00 0.00 39.78 35.12 3jur n ASN 380 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3jur s LEU 381 N -6.91 4.39 -0.19 1.20 2.96 -1.25 -3.13 118.68 115.75 3jur s LEU 381 Ca 0.32 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 3jur s LEU 381 Cb -0.15 -2.92 0.03 0.00 0.50 0.00 0.00 46.19 43.64 3jur s LEU 381 CO 0.77 0.06 -0.18 -0.54 -1.32 0.00 0.00 176.35 175.14 3jur s LYS 382 N 0.01 2.89 0.03 1.98 1.02 -0.77 -1.30 119.74 123.59 3jur s LYS 382 Ca 0.31 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 3jur s LYS 382 Cb -0.18 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 3jur s LYS 382 CO 0.17 -0.27 -0.03 0.00 -0.92 0.00 0.00 175.35 174.30 3jur s ALA 383 N 1.27 0.22 -0.02 5.17 0.00 -0.14 -0.89 121.76 127.37 3jur s ALA 383 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3jur s ALA 383 Cb -0.14 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3jur s ALA 383 CO -0.11 -0.21 -0.07 0.99 0.00 0.00 0.00 175.76 176.35 3jur s THR 384 N -2.06 0.63 0.00 0.00 2.01 -0.13 -1.18 115.64 114.91 3jur s THR 384 Ca -0.10 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3jur s THR 384 Cb -0.06 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.88 3jur s THR 384 CO -0.03 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 3jur n GLY 385 N 3.32 -0.53 0.00 4.40 0.00 0.27 -1.63 105.19 111.02 3jur n GLY 385 Ca -0.18 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3jur n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 386 N -0.50 3.83 0.22 -0.02 0.00 -0.46 -4.29 105.19 103.97 3jur n GLY 386 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 3jur n GLY 386 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jur h LYS 387 N 0.00 0.63 -4.83 1.61 1.57 -0.82 0.51 116.57 115.23 3jur h LYS 387 Ca 0.00 -0.38 -0.44 0.00 -1.87 0.00 0.00 60.65 57.95 3jur h LYS 387 Cb 0.00 0.04 -0.30 0.00 0.08 0.00 0.00 32.23 32.05 3jur h LYS 387 CO 0.00 1.00 -0.79 0.71 -0.57 0.00 0.00 179.45 179.79 3jur s TYR 388 N -4.07 1.04 -0.12 -1.35 2.02 -0.45 -0.55 117.35 113.86 3jur s TYR 388 Ca -0.08 -0.23 -0.19 0.00 -0.37 0.00 0.00 57.07 56.20 3jur s TYR 388 Cb 0.11 -0.70 -0.17 0.00 -0.40 0.00 0.00 41.96 40.80 3jur s TYR 388 CO 0.85 -0.07 0.52 0.00 -1.57 0.00 0.00 175.55 175.28 3jur h ALA 389 N 6.12 -0.01 -3.22 3.71 0.00 -1.04 -1.04 119.26 123.78 3jur h ALA 389 Ca -0.33 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 53.74 3jur h ALA 389 Cb 1.17 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.59 3jur h ALA 389 CO 0.49 -0.02 -0.80 0.08 0.00 0.00 0.00 179.25 179.00 3jur s VAL 390 N -2.07 1.00 -0.24 0.00 1.01 -0.28 -0.98 120.40 118.84 3jur s VAL 390 Ca -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3jur s VAL 390 Cb -0.02 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.35 3jur s VAL 390 CO 0.45 0.29 -0.02 -0.60 0.00 0.00 0.00 175.10 175.23 3jur s ARG 391 N 1.71 1.34 -0.16 2.72 3.52 -0.37 -0.38 118.95 127.32 3jur s ARG 391 Ca 0.04 -0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 54.69 3jur s ARG 391 Cb -0.13 -2.48 0.04 0.00 -1.56 0.00 0.00 34.95 30.82 3jur s ARG 391 CO -0.08 -0.67 -0.08 0.42 -0.81 0.00 0.00 175.30 174.08 3jur s ILE 392 N 1.47 1.30 -0.23 4.11 1.01 0.53 -1.00 121.20 128.40 3jur s ILE 392 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3jur s ILE 392 Cb -0.18 -1.39 0.06 0.00 0.01 0.00 0.00 42.46 40.96 3jur s ILE 392 CO -0.09 0.22 -0.01 -1.61 0.00 0.00 0.00 174.94 173.46 3jur s GLU 393 N 1.56 1.20 0.00 2.79 2.02 0.57 -1.24 118.70 125.60 3jur s GLU 393 Ca 0.01 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3jur s GLU 393 Cb -0.15 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3jur s GLU 393 CO -0.08 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 174.95 3jur n GLY 394 N 4.81 1.41 3.44 -1.39 0.00 0.86 -1.10 105.19 113.22 3jur n GLY 394 Ca -0.10 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 3jur n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jur s LEU 395 N 0.00 2.49 0.29 0.99 1.43 -0.24 -4.74 118.68 118.91 3jur s LEU 395 Ca 0.00 -0.83 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 3jur s LEU 395 Cb 0.00 -1.23 0.68 0.00 0.03 0.00 0.00 46.19 45.67 3jur s LEU 395 CO 0.00 0.12 1.79 -0.08 0.23 0.00 0.00 176.35 178.41 3jur h GLU 396 N 3.18 0.77 -0.63 1.70 4.81 -1.95 -0.22 114.58 122.24 3jur h GLU 396 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3jur h GLU 396 Cb 1.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3jur h GLU 396 CO 0.48 0.51 0.00 0.27 -0.73 0.00 0.00 179.01 179.54 3jur n ASN 397 N -4.75 5.09 -2.74 1.04 6.94 -1.26 -4.70 115.26 114.87 3jur n ASN 397 Ca 0.22 -2.65 -0.05 0.00 -0.02 0.00 0.00 54.58 52.08 3jur n ASN 397 Cb 0.52 -0.63 0.02 0.00 -2.36 0.00 0.00 39.78 37.33 3jur n ASN 397 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3jur n ASP 398 N 0.87 -3.00 -4.76 0.53 2.03 -0.11 -5.11 116.55 107.00 3jur n ASP 398 Ca 0.26 -2.70 -0.39 0.00 0.52 0.00 0.00 54.79 52.48 3jur n ASP 398 Cb 1.01 1.60 0.01 0.00 -0.72 0.00 0.00 41.12 43.03 3jur n ASP 398 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jur s TYR 399 N 0.82 2.60 0.04 -0.67 1.51 -1.16 -1.07 117.35 119.41 3jur s TYR 399 Ca 0.29 1.39 -0.31 0.00 -1.01 0.00 0.00 57.07 57.44 3jur s TYR 399 Cb 0.07 -3.72 -0.06 0.00 -0.11 0.00 0.00 41.96 38.14 3jur s TYR 399 CO -0.10 -2.42 1.41 0.08 -1.11 0.00 0.00 175.55 173.41 3jur s VAL 400 N -1.30 3.57 0.13 0.71 1.01 -0.56 -4.74 120.40 119.21 3jur s VAL 400 Ca 0.63 1.02 0.11 0.00 0.00 0.00 0.00 61.98 63.74 3jur s VAL 400 Cb -0.38 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3jur s VAL 400 CO 0.48 0.02 -0.25 -0.54 0.00 0.00 0.00 175.10 174.81 3jur s LYS 401 N 2.00 1.48 -1.21 2.72 1.02 -0.75 -0.68 119.74 124.33 3jur s LYS 401 Ca 0.65 -1.31 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 3jur s LYS 401 Cb -0.33 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 3jur s LYS 401 CO 0.28 0.46 0.80 -3.47 -0.92 0.00 0.00 175.35 172.50 3jur n ASP 402 N 0.91 -3.21 -4.65 2.83 2.03 -1.25 -2.21 116.55 110.99 3jur n ASP 402 Ca -0.18 -0.81 -0.37 0.00 0.52 0.00 0.00 54.79 53.95 3jur n ASP 402 Cb 0.53 -4.29 -0.09 0.00 -0.72 0.00 0.00 41.12 36.54 3jur n ASP 402 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3jur s ILE 403 N -3.54 5.33 -0.10 5.18 -1.09 -1.15 -2.33 121.20 123.50 3jur s ILE 403 Ca 0.19 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.87 3jur s ILE 403 Cb -0.05 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 3jur s ILE 403 CO 0.80 0.32 -0.14 -0.22 -1.23 0.00 0.00 174.94 174.47 3jur s LEU 404 N 1.17 1.65 -0.16 2.97 2.96 -0.43 -0.42 118.68 126.43 3jur s LEU 404 Ca 0.09 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3jur s LEU 404 Cb -0.14 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.55 3jur s LEU 404 CO 0.06 0.00 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.26 3jur s ILE 405 N 1.02 2.20 0.04 6.68 1.01 -0.01 -0.64 121.20 131.50 3jur s ILE 405 Ca -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 3jur s ILE 405 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3jur s ILE 405 CO -0.01 0.54 0.04 -0.94 0.00 0.00 0.00 174.94 174.56 3jur s SER 406 N 0.98 0.27 -1.50 3.58 1.04 -0.07 -1.13 113.70 116.88 3jur s SER 406 Ca -0.03 -0.66 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 3jur s SER 406 Cb -0.15 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.23 3jur s SER 406 CO -0.05 -0.50 0.58 0.47 0.98 0.00 0.00 173.24 174.71 3jur n ASP 407 N 0.70 -1.57 -4.12 7.02 8.00 -0.68 -1.63 116.55 124.28 3jur n ASP 407 Ca -0.18 -0.98 -0.22 0.00 0.71 0.00 0.00 54.79 54.12 3jur n ASP 407 Cb 0.59 -3.08 -0.15 0.00 -0.02 0.00 0.00 41.12 38.45 3jur n ASP 407 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3jur s THR 408 N -3.71 1.12 -0.13 -3.53 2.01 -1.11 -2.74 115.64 107.56 3jur s THR 408 Ca 0.27 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3jur s THR 408 Cb -0.14 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.44 3jur s THR 408 CO 0.89 0.27 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.31 3jur s ILE 409 N -0.40 1.60 -0.12 1.82 1.01 -0.42 -0.77 121.20 123.92 3jur s ILE 409 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3jur s ILE 409 Cb -0.06 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.96 3jur s ILE 409 CO -0.00 0.46 -0.12 -0.63 0.00 0.00 0.00 174.94 174.65 3jur s ILE 410 N 1.21 1.33 0.03 2.92 1.01 -0.14 -0.96 121.20 126.59 3jur s ILE 410 Ca -0.01 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.22 3jur s ILE 410 Cb -0.14 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3jur s ILE 410 CO -0.06 0.41 -0.23 -1.61 0.00 0.00 0.00 174.94 173.46 3jur s GLU 411 N 1.38 1.62 -0.26 2.79 0.41 -0.32 -0.51 118.70 123.81 3jur s GLU 411 Ca 0.01 -0.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.63 3jur s GLU 411 Cb -0.13 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 3jur s GLU 411 CO -0.07 0.45 0.00 0.41 -0.49 0.00 0.00 175.26 175.56 3jur n GLY 412 N 2.04 0.53 3.80 -1.39 0.00 -1.26 -0.56 105.19 108.35 3jur n GLY 412 Ca -0.17 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 3jur n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jur s ALA 413 N -2.10 3.57 0.01 4.61 0.00 -1.26 -3.53 121.76 123.05 3jur s ALA 413 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 3jur s ALA 413 Cb 0.00 -2.69 -0.17 0.00 0.00 0.00 0.00 23.12 20.26 3jur s ALA 413 CO 0.00 0.38 1.27 0.87 0.00 0.00 0.00 175.76 178.27 3jur h LYS 414 N 4.54 -0.26 -5.28 0.00 1.57 -0.87 -3.42 116.57 112.84 3jur h LYS 414 Ca -0.49 0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 3jur h LYS 414 Cb 1.21 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 33.41 3jur h LYS 414 CO 0.64 0.07 -0.59 0.42 -0.57 0.00 0.00 179.45 179.43 3jur s ILE 415 N -4.63 4.57 -0.05 1.86 1.01 0.29 -4.86 121.20 119.38 3jur s ILE 415 Ca -0.14 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 3jur s ILE 415 Cb 0.02 -3.05 -0.14 0.00 0.01 0.00 0.00 42.46 39.31 3jur s ILE 415 CO 0.58 0.47 0.79 0.28 0.00 0.00 0.00 174.94 177.06 3jur h SER 416 N 6.71 -0.21 -3.43 3.58 0.02 -1.26 0.14 113.55 119.11 3jur h SER 416 Ca -0.36 -0.29 -0.42 0.00 -0.84 0.00 0.00 61.79 59.88 3jur h SER 416 Cb 1.17 0.06 -0.34 0.00 0.14 0.00 0.00 62.40 63.42 3jur h SER 416 CO 0.68 0.33 -0.77 -0.69 -1.14 0.00 0.00 176.83 175.24 3jur s VAL 417 N -3.28 0.56 -0.22 2.27 1.01 -0.74 -1.13 120.40 118.87 3jur s VAL 417 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3jur s VAL 417 Cb 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3jur s VAL 417 CO 0.42 0.24 -0.13 -0.22 0.00 0.00 0.00 175.10 175.41 3jur s LEU 418 N 1.05 2.74 -0.08 3.92 0.20 0.49 -0.25 118.68 126.75 3jur s LEU 418 Ca -0.09 -0.84 0.02 0.00 0.69 0.00 0.00 54.13 53.91 3jur s LEU 418 Cb -0.14 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 3jur s LEU 418 CO -0.01 -0.07 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.63 3jur s LEU 419 N 1.28 1.65 -0.04 -0.68 2.96 0.31 -0.34 118.68 123.81 3jur s LEU 419 Ca 0.01 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3jur s LEU 419 Cb -0.15 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.63 3jur s LEU 419 CO -0.08 0.02 0.06 -0.70 -1.32 0.00 0.00 176.35 174.33 3jur s GLU 420 N 0.83 -0.06 -1.09 1.98 2.12 -0.37 0.07 118.70 122.17 3jur s GLU 420 Ca -0.11 0.35 -0.09 0.00 0.36 0.00 0.00 54.97 55.49 3jur s GLU 420 Cb -0.15 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.74 3jur s GLU 420 CO 0.02 -0.30 0.89 1.19 -0.54 0.00 0.00 175.26 176.52 3jur n PHE 421 N 5.08 -2.30 -3.94 5.30 3.72 -0.37 -0.10 117.46 124.86 3jur n PHE 421 Ca -0.08 0.77 -0.09 0.00 -0.05 0.00 0.00 57.45 58.00 3jur n PHE 421 Cb 0.50 -4.05 -0.05 0.00 -0.94 0.00 0.00 39.48 34.94 3jur n PHE 421 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3jur s GLY 422 N -3.51 0.40 -0.22 1.37 0.00 -1.14 -1.50 107.32 102.72 3jur s GLY 422 Ca 0.41 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.39 3jur s GLY 422 CO 0.77 -0.60 -0.06 1.62 0.00 0.00 0.00 173.10 174.83 3jur s GLN 423 N -3.98 1.66 -0.11 2.90 0.74 0.14 -1.38 119.66 119.63 3jur s GLN 423 Ca 0.19 -0.91 0.04 0.00 0.05 0.00 0.00 55.36 54.72 3jur s GLN 423 Cb 0.00 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.61 3jur s GLN 423 CO 0.05 -0.56 -0.23 -1.17 -0.55 0.00 0.00 175.29 172.83 3jur s LEU 424 N 1.43 2.07 -0.05 3.68 2.96 0.48 -2.94 118.68 126.31 3jur s LEU 424 Ca -0.04 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3jur s LEU 424 Cb -0.18 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 3jur s LEU 424 CO -0.07 0.14 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.08 3jur s GLY 425 N 0.45 1.42 -0.03 7.98 0.00 0.45 -0.50 107.32 117.08 3jur s GLY 425 Ca -0.16 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.56 3jur s GLY 425 CO 0.07 -0.75 -0.09 1.06 0.00 0.00 0.00 173.10 173.38 3jur s MET 426 N -0.53 1.03 -0.06 2.90 -1.94 0.22 -0.83 119.30 120.09 3jur s MET 426 Ca 0.07 -0.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 3jur s MET 426 Cb -0.11 -0.95 0.02 0.00 2.01 0.00 0.00 34.83 35.80 3jur s MET 426 CO 0.01 0.09 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.83 3jur s GLU 427 N 0.31 1.14 -1.06 2.03 2.02 -0.28 -0.31 118.70 122.55 3jur s GLU 427 Ca -0.05 -0.18 -0.15 0.00 0.02 0.00 0.00 54.97 54.60 3jur s GLU 427 Cb -0.10 -1.12 -0.01 0.00 0.10 0.00 0.00 34.13 33.00 3jur s GLU 427 CO 0.01 -0.11 0.79 -1.71 0.02 0.00 0.00 175.26 174.26 3jur n ASN 428 N 4.25 -5.73 -4.36 -0.19 5.15 -0.32 -1.68 115.26 112.39 3jur n ASN 428 Ca -0.20 -0.88 -0.30 0.00 -0.60 0.00 0.00 54.58 52.60 3jur n ASN 428 Cb 0.51 -3.66 -0.14 0.00 -0.53 0.00 0.00 39.78 35.95 3jur n ASN 428 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3jur s VAL 429 N -3.37 2.19 -0.16 3.44 -7.23 -0.31 -2.07 120.40 112.90 3jur s VAL 429 Ca 0.39 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 3jur s VAL 429 Cb -0.13 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 3jur s VAL 429 CO 0.84 0.30 -0.15 -0.63 -0.31 0.00 0.00 175.10 175.15 3jur s ILE 430 N -0.87 2.69 -0.17 -0.62 1.01 0.05 -0.29 121.20 123.00 3jur s ILE 430 Ca 0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3jur s ILE 430 Cb -0.10 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.28 3jur s ILE 430 CO 0.03 0.51 -0.02 -0.04 0.00 0.00 0.00 174.94 175.42 3jur s MET 431 N 0.84 1.16 -1.49 2.79 -1.94 0.03 -0.97 119.30 119.72 3jur s MET 431 Ca -0.05 -0.48 -0.03 0.00 -1.71 0.00 0.00 55.69 53.43 3jur s MET 431 Cb -0.15 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.70 3jur s MET 431 CO -0.00 -0.49 0.05 0.09 -0.01 0.00 0.00 175.02 174.66 3jur n ASN 432 N 4.93 0.55 0.00 3.03 3.02 0.34 -1.13 115.26 125.99 3jur n ASN 432 Ca -0.11 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3jur n ASN 432 Cb 0.47 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.09 3jur n ASN 432 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jur n GLY 433 N -2.51 2.60 3.68 7.41 0.00 -1.26 -4.99 105.19 110.12 3jur n GLY 433 Ca -0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3jur n GLY 433 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jur s SER 434 N -1.80 6.70 -0.17 1.61 0.01 -0.28 -5.05 113.70 114.71 3jur s SER 434 Ca 0.00 0.85 -0.15 0.00 1.31 0.00 0.00 55.95 57.96 3jur s SER 434 Cb 0.00 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 3jur s SER 434 CO 0.00 -0.19 0.33 -0.60 0.41 0.00 0.00 173.24 173.19 3jur s ARG 435 N 1.51 4.24 -0.20 12.44 3.52 -1.26 -0.79 118.95 138.41 3jur s ARG 435 Ca 0.29 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.04 3jur s ARG 435 Cb -0.16 -3.46 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 3jur s ARG 435 CO 0.11 0.15 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.57 3jur s PHE 436 N 0.72 2.63 0.10 5.12 0.08 0.61 -4.97 117.98 122.26 3jur s PHE 436 Ca 0.18 -1.71 -0.19 0.00 0.12 0.00 0.00 56.93 55.33 3jur s PHE 436 Cb -0.14 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 3jur s PHE 436 CO 0.05 -0.78 1.64 1.49 -0.10 0.00 0.00 175.22 177.53 3jur h GLU 437 N 7.94 0.39 -3.80 0.44 4.81 -1.91 -0.73 114.58 121.72 3jur h GLU 437 Ca -0.31 -0.07 -0.36 0.00 -0.13 0.00 0.00 59.36 58.49 3jur h GLU 437 Cb 1.10 -0.06 -0.34 0.00 0.63 0.00 0.00 28.75 30.08 3jur h GLU 437 CO 0.51 0.43 -0.75 0.15 -0.73 0.00 0.00 179.01 178.62 3jur s LYS 438 N -5.52 0.42 -0.24 1.92 1.02 -1.26 -1.17 119.74 114.90 3jur s LYS 438 Ca -0.13 0.03 -0.03 0.00 0.02 0.00 0.00 55.97 55.85 3jur s LYS 438 Cb 0.08 -0.55 0.08 0.00 -0.52 0.00 0.00 37.83 36.92 3jur s LYS 438 CO 0.72 -0.12 0.09 -1.17 -0.92 0.00 0.00 175.35 173.95 3jur s LEU 439 N 0.96 1.08 -0.14 3.17 0.20 0.58 -4.98 118.68 119.55 3jur s LEU 439 Ca -0.10 -1.10 0.02 0.00 0.69 0.00 0.00 54.13 53.63 3jur s LEU 439 Cb -0.14 -0.52 0.00 0.00 -0.43 0.00 0.00 46.19 45.11 3jur s LEU 439 CO -0.01 -0.38 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.16 3jur s TYR 440 N 1.93 2.69 -0.04 5.38 1.51 -1.26 0.71 117.35 128.26 3jur s TYR 440 Ca 0.05 -1.16 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 3jur s TYR 440 Cb -0.17 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 3jur s TYR 440 CO -0.20 -0.51 -0.05 0.42 -1.11 0.00 0.00 175.55 174.09 3jur s ILE 441 N 0.70 0.60 -0.15 2.71 1.01 0.34 -5.01 121.20 121.39 3jur s ILE 441 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3jur s ILE 441 Cb -0.16 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.73 3jur s ILE 441 CO 0.01 0.23 -0.15 -0.70 0.00 0.00 0.00 174.94 174.33 3jur s GLU 442 N 0.80 2.45 0.00 2.79 2.12 -1.26 -0.39 118.70 125.21 3jur s GLU 442 Ca -0.11 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.60 3jur s GLU 442 Cb -0.14 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.05 3jur s GLU 442 CO 0.01 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 3jur n GLY 443 N 4.73 0.59 3.24 -1.50 0.00 -0.48 -5.02 105.19 106.76 3jur n GLY 443 Ca -0.18 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 3jur n GLY 443 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jur s LYS 444 N 0.00 1.49 -0.02 1.61 1.02 -1.26 -1.23 119.74 121.34 3jur s LYS 444 Ca 0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 54.82 3jur s LYS 444 Cb 0.00 -1.55 0.07 0.00 -0.52 0.00 0.00 37.83 35.83 3jur s LYS 444 CO 0.00 0.40 0.66 0.00 -0.92 0.00 0.00 175.35 175.49 3jur s ALA 445 N -0.70 -1.72 -0.14 5.17 0.00 0.11 -4.97 121.76 119.51 3jur s ALA 445 Ca 0.08 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 3jur s ALA 445 Cb -0.09 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.21 3jur s ALA 445 CO 0.01 -0.42 0.03 -1.17 0.00 0.00 0.00 175.76 174.21 3jur s LEU 446 N -1.41 0.82 -0.14 0.00 2.96 -1.26 -0.53 118.68 119.12 3jur s LEU 446 Ca -0.09 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3jur s LEU 446 Cb -0.00 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.21 3jur s LEU 446 CO 0.07 -0.27 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.88 3jur s LEU 447 N 1.95 2.31 0.00 -0.68 1.02 0.65 -4.98 118.68 118.95 3jur s LEU 447 Ca 0.02 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.64 3jur s LEU 447 Cb -0.15 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.56 3jur s LEU 447 CO -0.07 0.10 0.03 1.17 0.02 0.00 0.00 176.35 177.60