#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwu s VAL 2 N 0.00 4.57 0.11 1.61 1.01 -1.26 -1.74 120.40 124.70 3bwu s VAL 2 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3bwu s VAL 2 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3bwu s VAL 2 CO 0.00 0.60 -0.13 0.00 0.00 0.00 0.00 175.10 175.58 3bwu s ALA 3 N -0.84 1.32 0.14 5.51 0.00 -0.32 -4.98 121.76 122.60 3bwu s ALA 3 Ca 0.13 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3bwu s ALA 3 Cb -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3bwu s ALA 3 CO 0.03 0.06 0.29 -0.51 0.00 0.00 0.00 175.76 175.63 3bwu s LEU 4 N -2.37 4.32 0.00 0.00 1.43 -1.26 -1.25 118.68 119.54 3bwu s LEU 4 Ca 0.06 0.24 0.19 0.00 -1.03 0.00 0.00 54.13 53.59 3bwu s LEU 4 Cb -0.05 -2.98 0.82 0.00 0.03 0.00 0.00 46.19 44.01 3bwu s LEU 4 CO 0.02 0.05 1.57 0.61 0.23 0.00 0.00 176.35 178.83 3bwu n GLY 5 N -0.41 -0.15 3.27 -3.19 0.00 -0.17 -4.85 105.19 99.69 3bwu n GLY 5 Ca -0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 3bwu n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwu s ALA 6 N -1.85 -0.68 -1.31 4.61 0.00 -1.26 -4.88 121.76 116.38 3bwu s ALA 6 Ca 0.29 -0.14 0.16 0.00 0.00 0.00 0.00 51.96 52.28 3bwu s ALA 6 Cb 0.15 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3bwu s ALA 6 CO 0.23 -0.52 0.82 0.25 0.00 0.00 0.00 175.76 176.54 3bwu n THR 7 N 0.13 0.00 -3.64 0.00 -2.24 -1.26 -4.98 114.28 102.29 3bwu n THR 7 Ca -0.17 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3bwu n THR 7 Cb 0.62 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 3bwu n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bwu s ARG 8 N -2.09 1.31 -0.11 -0.78 3.03 -1.26 -4.03 118.95 115.02 3bwu s ARG 8 Ca 0.12 -0.74 0.01 0.00 2.03 0.00 0.00 55.73 57.15 3bwu s ARG 8 Cb 0.13 0.53 0.02 0.00 -1.03 0.00 0.00 34.95 34.60 3bwu s ARG 8 CO 0.48 -0.55 -0.14 0.08 -1.13 0.00 0.00 175.30 174.03 3bwu s VAL 9 N -3.83 1.43 -0.26 4.99 1.01 0.31 -4.99 120.40 119.06 3bwu s VAL 9 Ca 0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 3bwu s VAL 9 Cb -0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3bwu s VAL 9 CO -0.07 0.43 0.33 -0.63 0.00 0.00 0.00 175.10 175.16 3bwu s ILE 10 N 1.09 5.22 -0.42 2.22 -1.09 -1.26 -0.82 121.20 126.13 3bwu s ILE 10 Ca -0.05 0.49 -0.05 0.00 -2.23 0.00 0.00 60.65 58.81 3bwu s ILE 10 Cb -0.14 -3.66 0.11 0.00 -1.58 0.00 0.00 42.46 37.18 3bwu s ILE 10 CO -0.03 0.21 0.24 -0.47 -1.23 0.00 0.00 174.94 173.66 3bwu s TYR 11 N 1.79 3.50 0.18 3.97 5.04 0.81 -4.96 117.35 127.67 3bwu s TYR 11 Ca 0.14 -2.12 -0.30 0.00 -2.44 0.00 0.00 57.07 52.34 3bwu s TYR 11 Cb -0.15 -3.23 -0.08 0.00 0.35 0.00 0.00 41.96 38.85 3bwu s TYR 11 CO 0.09 -0.96 1.18 -2.14 -1.34 0.00 0.00 175.55 172.38 3bwu s PRO 12 N 1.25 4.51 0.35 4.97 0.02 -1.26 -0.85 135.00 143.98 3bwu s PRO 12 Ca 0.06 1.84 -0.28 0.00 0.02 0.00 0.00 61.00 62.64 3bwu s PRO 12 Cb -0.24 -3.25 -0.12 0.00 0.02 0.00 0.00 34.50 30.91 3bwu s PRO 12 CO -0.02 -0.07 1.38 0.00 -0.33 0.00 0.00 177.00 177.96 3bwu n ALA 13 N 2.54 1.73 0.00 -1.55 0.00 -0.50 -2.21 120.51 120.53 3bwu n ALA 13 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3bwu n ALA 13 Cb 0.45 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3bwu n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwu n GLY 14 N 0.78 3.10 3.74 0.00 0.00 -1.26 -4.75 105.19 106.80 3bwu n GLY 14 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3bwu n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bwu s GLN 15 N -0.41 4.41 0.19 1.61 -1.52 -0.94 -4.93 119.66 118.07 3bwu s GLN 15 Ca 0.00 2.04 -0.02 0.00 -1.95 0.00 0.00 55.36 55.42 3bwu s GLN 15 Cb 0.00 -3.19 0.12 0.00 -0.22 0.00 0.00 33.01 29.72 3bwu s GLN 15 CO 0.00 -0.21 1.50 0.87 -0.25 0.00 0.00 175.29 177.20 3bwu h LYS 16 N 5.15 0.51 -3.39 2.91 1.79 -1.95 -3.41 116.57 118.18 3bwu h LYS 16 Ca -0.45 -0.33 -0.05 0.00 -2.18 0.00 0.00 60.65 57.63 3bwu h LYS 16 Cb 1.22 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.78 3bwu h LYS 16 CO 0.76 0.94 -0.09 1.14 -1.08 0.00 0.00 179.45 181.12 3bwu s GLN 17 N -3.93 1.05 0.20 3.15 -2.07 -1.26 -3.72 119.66 113.09 3bwu s GLN 17 Ca -0.07 -0.70 0.08 0.00 -1.82 0.00 0.00 55.36 52.86 3bwu s GLN 17 Cb 0.11 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.45 3bwu s GLN 17 CO 0.84 -0.41 -0.16 -1.21 -1.32 0.00 0.00 175.29 173.03 3bwu s GLU 18 N -3.74 1.34 0.09 9.60 0.41 -0.08 -4.96 118.70 121.36 3bwu s GLU 18 Ca 0.03 -1.55 0.07 0.00 -0.41 0.00 0.00 54.97 53.11 3bwu s GLU 18 Cb 0.02 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 31.09 3bwu s GLU 18 CO -0.12 0.22 -0.11 -0.65 -0.49 0.00 0.00 175.26 174.12 3bwu s GLN 19 N -3.37 2.13 -0.04 1.61 1.11 -1.26 -0.32 119.66 119.52 3bwu s GLN 19 Ca 0.21 -1.01 -0.02 0.00 0.01 0.00 0.00 55.36 54.56 3bwu s GLN 19 Cb -0.03 -2.30 0.03 0.00 -1.01 0.00 0.00 33.01 29.71 3bwu s GLN 19 CO 0.08 0.52 0.07 -1.17 0.01 0.00 0.00 175.29 174.79 3bwu s LEU 20 N -2.07 0.26 0.23 2.90 2.96 -0.04 -4.96 118.68 117.95 3bwu s LEU 20 Ca 0.20 0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 53.95 3bwu s LEU 20 Cb -0.11 -0.08 -0.09 0.00 0.50 0.00 0.00 46.19 46.41 3bwu s LEU 20 CO 0.12 -0.23 0.85 0.00 -1.32 0.00 0.00 176.35 175.78 3bwu s ALA 21 N 2.01 3.37 -0.11 5.97 0.00 -1.26 -0.14 121.76 131.60 3bwu s ALA 21 Ca 0.03 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3bwu s ALA 21 Cb -0.12 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.95 3bwu s ALA 21 CO -0.03 0.25 -0.16 0.08 0.00 0.00 0.00 175.76 175.90 3bwu s VAL 22 N -1.29 1.53 -0.06 0.00 1.01 0.87 -1.00 120.40 121.47 3bwu s VAL 22 Ca 0.41 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3bwu s VAL 22 Cb -0.22 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3bwu s VAL 22 CO 0.27 0.45 -0.14 0.42 0.00 0.00 0.00 175.10 176.09 3bwu s THR 23 N 0.95 1.26 -0.21 3.92 -4.23 -0.38 -0.62 115.64 116.32 3bwu s THR 23 Ca -0.07 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 3bwu s THR 23 Cb -0.15 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 3bwu s THR 23 CO -0.01 0.38 0.09 0.21 -0.54 0.00 0.00 174.62 174.75 3bwu s ASN 24 N 0.40 5.68 0.00 3.99 2.47 -0.24 -1.18 114.94 126.06 3bwu s ASN 24 Ca -0.10 0.03 0.20 0.00 0.42 0.00 0.00 52.86 53.41 3bwu s ASN 24 Cb -0.14 -2.00 0.55 0.00 -1.45 0.00 0.00 41.25 38.21 3bwu s ASN 24 CO 0.03 0.10 1.46 -0.46 -3.72 0.00 0.00 177.10 174.51 3bwu n ASN 25 N 4.04 3.68 -4.17 -4.21 6.94 -0.71 -1.94 115.26 118.90 3bwu n ASN 25 Ca -0.16 -1.99 -0.36 0.00 -0.02 0.00 0.00 54.58 52.05 3bwu n ASN 25 Cb 0.52 -0.41 -0.13 0.00 -2.36 0.00 0.00 39.78 37.40 3bwu n ASN 25 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3bwu s ASP 26 N -1.05 5.07 0.61 0.53 -1.08 -1.26 -4.78 116.67 114.70 3bwu s ASP 26 Ca 0.42 -1.52 0.34 0.00 -0.52 0.00 0.00 52.55 51.28 3bwu s ASP 26 Cb 0.22 -1.77 1.96 0.00 -1.46 0.00 0.00 42.92 41.87 3bwu s ASP 26 CO 0.29 -0.36 2.26 1.05 0.52 0.00 0.00 175.17 178.93 3bwu h GLU 27 N 8.04 0.00 -0.72 4.34 4.11 -1.90 -2.26 114.58 126.19 3bwu h GLU 27 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3bwu h GLU 27 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3bwu h GLU 27 CO 0.60 0.02 0.00 0.09 0.07 0.00 0.00 179.01 179.78 3bwu n ASN 28 N -3.56 4.28 -4.31 3.06 3.02 -1.26 -4.33 115.26 112.16 3bwu n ASN 28 Ca -0.03 -2.16 -0.24 0.00 -0.03 0.00 0.00 54.58 52.12 3bwu n ASN 28 Cb 0.10 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 38.62 3bwu n ASN 28 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3bwu s SER 29 N -0.96 2.66 -0.04 6.41 0.01 -0.85 -5.01 113.70 115.92 3bwu s SER 29 Ca 0.50 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 57.05 3bwu s SER 29 Cb 0.29 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3bwu s SER 29 CO 0.31 0.04 -0.15 -0.89 0.41 0.00 0.00 173.24 172.95 3bwu s THR 30 N -1.43 1.31 0.08 1.44 2.01 -1.26 -0.81 115.64 116.98 3bwu s THR 30 Ca 0.10 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3bwu s THR 30 Cb -0.09 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3bwu s THR 30 CO 0.05 0.38 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.83 3bwu s TYR 31 N 0.15 1.94 -0.01 4.92 2.02 -0.58 -3.21 117.35 122.58 3bwu s TYR 31 Ca -0.06 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.07 3bwu s TYR 31 Cb -0.12 -1.10 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 3bwu s TYR 31 CO 0.02 0.18 0.49 -0.51 -1.57 0.00 0.00 175.55 174.16 3bwu s LEU 32 N -1.63 4.43 -0.24 -1.29 1.43 -0.06 -0.75 118.68 120.57 3bwu s LEU 32 Ca 0.09 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 3bwu s LEU 32 Cb -0.10 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.41 3bwu s LEU 32 CO 0.04 0.20 -0.04 -0.63 0.23 0.00 0.00 176.35 176.14 3bwu s ILE 33 N -0.53 3.14 -0.17 -0.59 -1.09 0.10 -0.20 121.20 121.86 3bwu s ILE 33 Ca 0.26 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3bwu s ILE 33 Cb -0.17 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.19 3bwu s ILE 33 CO 0.14 0.27 -0.19 -1.58 -1.23 0.00 0.00 174.94 172.36 3bwu s GLN 34 N 1.40 3.05 0.04 2.79 0.74 0.03 -1.97 119.66 125.74 3bwu s GLN 34 Ca 0.03 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.68 3bwu s GLN 34 Cb -0.16 -2.59 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 3bwu s GLN 34 CO -0.04 -0.16 -0.15 -1.12 -0.55 0.00 0.00 175.29 173.27 3bwu s SER 35 N 1.19 1.83 0.14 6.67 0.01 -0.54 0.01 113.70 123.00 3bwu s SER 35 Ca 0.02 -0.46 -0.24 0.00 1.31 0.00 0.00 55.95 56.59 3bwu s SER 35 Cb -0.14 -0.13 0.07 0.00 0.21 0.00 0.00 66.02 66.03 3bwu s SER 35 CO -0.09 0.07 0.63 -1.66 0.41 0.00 0.00 173.24 172.60 3bwu s TRP 36 N -0.80 -0.53 -0.08 2.43 -2.14 -0.53 -4.71 118.94 112.58 3bwu s TRP 36 Ca 0.03 0.36 0.01 0.00 2.66 0.00 0.00 56.10 59.16 3bwu s TRP 36 Cb -0.08 0.55 -0.02 0.00 -3.10 0.00 0.00 33.47 30.82 3bwu s TRP 36 CO 0.01 -0.81 -0.11 0.08 -2.66 0.00 0.00 176.95 173.46 3bwu s VAL 37 N -3.57 3.30 0.13 -0.66 1.01 -1.26 -0.85 120.40 118.51 3bwu s VAL 37 Ca 0.01 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3bwu s VAL 37 Cb -0.01 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3bwu s VAL 37 CO -0.12 0.57 -0.11 -1.61 0.00 0.00 0.00 175.10 173.83 3bwu s GLU 38 N -0.40 2.04 0.29 2.72 2.02 -0.22 -4.37 118.70 120.79 3bwu s GLU 38 Ca 0.05 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 3bwu s GLU 38 Cb -0.12 -2.22 0.07 0.00 0.10 0.00 0.00 34.13 31.96 3bwu s GLU 38 CO 0.02 0.48 0.40 0.27 0.02 0.00 0.00 175.26 176.44 3bwu n ASN 39 N 0.47 -0.00 0.23 -0.19 0.23 0.57 -0.25 115.26 116.31 3bwu n ASN 39 Ca -0.13 -1.13 0.16 0.00 -0.53 0.00 0.00 54.58 52.95 3bwu n ASN 39 Cb 0.53 -0.30 0.76 0.00 -2.08 0.00 0.00 39.78 38.69 3bwu n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bwu h ALA 40 N -1.95 1.00 -0.27 -2.53 0.00 -1.85 -0.79 119.26 112.88 3bwu h ALA 40 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3bwu h ALA 40 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3bwu h ALA 40 CO 0.09 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 3bwu n ASP 41 N -2.69 2.89 0.00 0.00 9.92 -1.26 -4.94 116.55 120.47 3bwu n ASP 41 Ca -0.00 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 3bwu n ASP 41 Cb 0.16 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 3bwu n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bwu n GLY 42 N 1.38 0.49 3.66 0.44 0.00 -0.30 -5.05 105.19 105.81 3bwu n GLY 42 Ca 0.18 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3bwu n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bwu s VAL 43 N -2.00 4.29 -1.23 1.61 1.01 -1.26 -4.77 120.40 118.06 3bwu s VAL 43 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 3bwu s VAL 43 Cb 0.00 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.64 3bwu s VAL 43 CO 0.00 0.59 1.64 -0.54 0.00 0.00 0.00 175.10 176.79 3bwu s LYS 44 N -0.70 3.91 0.00 2.72 1.02 -1.26 -0.32 119.74 125.11 3bwu s LYS 44 Ca 0.11 -1.87 0.29 0.00 0.02 0.00 0.00 55.97 54.52 3bwu s LYS 44 Cb -0.12 -5.45 1.29 0.00 -0.52 0.00 0.00 37.83 33.03 3bwu s LYS 44 CO 0.02 -2.19 1.88 -0.40 -0.92 0.00 0.00 175.35 173.74 3bwu n ASP 45 N 8.21 0.72 -0.16 2.83 5.68 -1.26 -4.92 116.55 127.64 3bwu n ASP 45 Ca 0.44 -0.97 -0.02 0.00 -0.50 0.00 0.00 54.79 53.74 3bwu n ASP 45 Cb 0.47 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.42 3bwu n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bwu n GLY 46 N 1.19 0.47 0.30 6.12 0.00 -1.26 -4.88 105.19 107.13 3bwu n GLY 46 Ca 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3bwu n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bwu h ARG 47 N 0.44 0.84 -5.67 1.61 2.47 -1.91 -3.42 114.38 108.73 3bwu h ARG 47 Ca -0.04 -0.17 -0.63 0.00 -1.26 0.00 0.00 59.98 57.88 3bwu h ARG 47 Cb 0.47 -0.13 -0.31 0.00 -1.65 0.00 0.00 29.97 28.35 3bwu h ARG 47 CO 0.06 0.75 -0.86 -0.06 0.56 0.00 0.00 179.97 180.42 3bwu s PHE 48 N -5.22 2.09 -0.04 3.04 0.08 -1.26 -0.53 117.98 116.13 3bwu s PHE 48 Ca -0.10 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.36 3bwu s PHE 48 Cb 0.15 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3bwu s PHE 48 CO 0.80 -0.19 -0.09 0.42 -0.10 0.00 0.00 175.22 176.06 3bwu s ILE 49 N -0.07 3.48 -0.08 0.64 -1.09 -0.51 -4.66 121.20 118.92 3bwu s ILE 49 Ca -0.04 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.75 3bwu s ILE 49 Cb -0.13 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 3bwu s ILE 49 CO 0.03 0.54 -0.10 0.54 -1.23 0.00 0.00 174.94 174.71 3bwu s VAL 50 N -0.84 3.38 -0.11 2.92 0.11 -1.26 0.00 120.40 124.60 3bwu s VAL 50 Ca 0.13 -0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 3bwu s VAL 50 Cb -0.11 -2.38 0.03 0.00 -1.53 0.00 0.00 36.38 32.40 3bwu s VAL 50 CO 0.03 0.58 0.28 0.28 -3.33 0.00 0.00 175.10 172.94 3bwu s THR 51 N -0.52 -0.01 0.17 5.04 -1.32 -0.30 -3.79 115.64 114.91 3bwu s THR 51 Ca 0.07 0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 60.32 3bwu s THR 51 Cb -0.12 -0.41 -0.08 0.00 -1.51 0.00 0.00 72.50 70.39 3bwu s THR 51 CO 0.02 0.02 0.89 -2.16 -2.21 0.00 0.00 174.62 171.17 3bwu s PRO 52 N 0.53 4.71 0.00 7.08 0.05 -1.26 -0.46 135.00 145.64 3bwu s PRO 52 Ca -0.03 1.35 0.30 0.00 0.05 0.00 0.00 61.00 62.67 3bwu s PRO 52 Cb -0.05 -3.31 1.45 0.00 0.05 0.00 0.00 34.50 32.65 3bwu s PRO 52 CO -0.03 0.43 2.01 -0.35 0.05 0.00 0.00 177.00 179.11 3bwu n PRO 53 N 1.99 0.43 -3.65 0.56 -0.04 -1.25 -4.72 135.00 128.33 3bwu n PRO 53 Ca -0.02 -0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 3bwu n PRO 53 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3bwu n PRO 53 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3bwu s LEU 54 N -2.59 -1.05 0.27 1.53 2.96 -1.25 -1.46 118.68 117.09 3bwu s LEU 54 Ca 0.28 1.50 -0.21 0.00 -0.22 0.00 0.00 54.13 55.47 3bwu s LEU 54 Cb 0.20 2.20 0.02 0.00 0.50 0.00 0.00 46.19 49.12 3bwu s LEU 54 CO 0.47 -0.22 0.73 0.72 -1.32 0.00 0.00 176.35 176.72 3bwu s PHE 55 N 2.66 -0.20 -0.02 5.38 -0.12 -0.83 -4.99 117.98 119.86 3bwu s PHE 55 Ca -0.06 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.59 3bwu s PHE 55 Cb -0.11 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 3bwu s PHE 55 CO -0.18 -1.21 -0.06 0.00 -0.05 0.00 0.00 175.22 173.72 3bwu s ALA 56 N -3.89 3.04 -0.17 1.99 0.00 -1.26 0.02 121.76 121.49 3bwu s ALA 56 Ca 0.11 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3bwu s ALA 56 Cb -0.06 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.90 3bwu s ALA 56 CO 0.06 0.60 -0.13 -1.64 0.00 0.00 0.00 175.76 174.66 3bwu s MET 57 N -1.24 2.21 -0.24 0.00 -1.94 0.07 -4.97 119.30 113.20 3bwu s MET 57 Ca 0.16 -0.70 -0.08 0.00 -1.71 0.00 0.00 55.69 53.36 3bwu s MET 57 Cb -0.11 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 3bwu s MET 57 CO 0.06 -0.32 0.09 0.21 -0.01 0.00 0.00 175.02 175.05 3bwu s LYS 58 N 1.44 3.80 1.85 2.03 2.20 -1.26 -1.53 119.74 128.26 3bwu s LYS 58 Ca 0.02 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3bwu s LYS 58 Cb -0.14 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3bwu s LYS 58 CO -0.10 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3bwu n GLY 59 N 4.57 -1.15 3.63 5.54 0.00 0.01 -4.62 105.19 113.16 3bwu n GLY 59 Ca -0.16 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3bwu n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bwu s LYS 60 N 0.00 3.65 -0.07 1.61 1.02 -1.25 -4.58 119.74 120.12 3bwu s LYS 60 Ca 0.00 1.99 -0.31 0.00 0.02 0.00 0.00 55.97 57.67 3bwu s LYS 60 Cb 0.00 -4.18 0.08 0.00 -0.52 0.00 0.00 37.83 33.22 3bwu s LYS 60 CO 0.00 -1.49 0.75 0.21 -0.92 0.00 0.00 175.35 173.90 3bwu s LYS 61 N 5.18 0.96 -0.04 1.68 2.20 -0.82 -5.00 119.74 123.90 3bwu s LYS 61 Ca 0.85 0.24 0.05 0.00 -0.36 0.00 0.00 55.97 56.75 3bwu s LYS 61 Cb -0.31 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 3bwu s LYS 61 CO 0.34 -0.30 -0.20 -2.00 -0.36 0.00 0.00 175.35 172.83 3bwu s GLU 62 N -1.17 1.97 0.03 4.03 2.12 -1.26 -1.08 118.70 123.34 3bwu s GLU 62 Ca -0.09 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.59 3bwu s GLU 62 Cb -0.00 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.64 3bwu s GLU 62 CO 0.08 0.32 -0.18 -0.80 -0.54 0.00 0.00 175.26 174.14 3bwu s ASN 63 N -0.11 2.18 -0.21 -1.70 -0.87 0.20 -4.97 114.94 109.46 3bwu s ASN 63 Ca -0.02 -0.46 -0.07 0.00 -1.57 0.00 0.00 52.86 50.75 3bwu s ASN 63 Cb -0.11 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 40.90 3bwu s ASN 63 CO 0.02 0.14 0.05 -0.89 -2.57 0.00 0.00 177.10 173.86 3bwu s THR 64 N -0.72 4.44 0.16 1.60 2.01 -1.26 -0.09 115.64 121.78 3bwu s THR 64 Ca 0.06 -0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 3bwu s THR 64 Cb -0.08 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 3bwu s THR 64 CO 0.01 0.40 0.69 -0.76 -0.69 0.00 0.00 174.62 174.26 3bwu s LEU 65 N 1.02 4.46 -0.16 4.42 1.43 0.81 -4.74 118.68 125.92 3bwu s LEU 65 Ca 0.04 1.42 -0.07 0.00 -1.03 0.00 0.00 54.13 54.49 3bwu s LEU 65 Cb -0.14 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 3bwu s LEU 65 CO 0.03 0.15 0.06 -0.13 0.23 0.00 0.00 176.35 176.69 3bwu s ARG 66 N -1.52 3.77 -0.21 1.70 0.52 0.39 -0.86 118.95 122.73 3bwu s ARG 66 Ca 0.37 -0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 3bwu s ARG 66 Cb -0.19 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 3bwu s ARG 66 CO 0.22 0.40 -0.00 0.42 0.02 0.00 0.00 175.30 176.36 3bwu s ILE 67 N 0.00 3.87 -0.12 1.52 1.01 0.56 -1.14 121.20 126.91 3bwu s ILE 67 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3bwu s ILE 67 Cb -0.12 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3bwu s ILE 67 CO 0.01 0.42 -0.13 -0.76 0.00 0.00 0.00 174.94 174.47 3bwu s LEU 68 N 1.15 2.72 -0.37 2.97 1.43 0.10 -0.90 118.68 125.78 3bwu s LEU 68 Ca 0.03 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 3bwu s LEU 68 Cb -0.14 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 3bwu s LEU 68 CO 0.01 0.20 1.62 -0.62 0.23 0.00 0.00 176.35 177.78 3bwu s ASP 69 N 0.16 6.09 -0.22 2.29 2.15 -1.24 -1.42 116.67 124.48 3bwu s ASP 69 Ca -0.07 1.06 0.13 0.00 0.43 0.00 0.00 52.55 54.09 3bwu s ASP 69 Cb -0.15 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.37 3bwu s ASP 69 CO 0.05 -1.59 1.31 0.00 -0.17 0.00 0.00 175.17 174.77 3bwu n ALA 70 N 9.62 3.53 0.60 3.66 0.00 0.31 -4.73 120.51 133.50 3bwu n ALA 70 Ca 0.20 -3.01 0.13 0.00 0.00 0.00 0.00 53.44 50.76 3bwu n ALA 70 Cb 0.47 -0.52 0.36 0.00 0.00 0.00 0.00 19.45 19.76 3bwu n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bwu h THR 71 N 0.90 0.00 -6.36 0.00 1.35 -1.79 -3.43 112.91 103.57 3bwu h THR 71 Ca 0.07 -0.50 -0.49 0.00 -0.55 0.00 0.00 66.41 64.94 3bwu h THR 71 Cb 1.27 1.44 -0.11 0.00 -1.73 0.00 0.00 68.15 69.02 3bwu h THR 71 CO 0.15 0.00 -0.76 0.59 -0.25 0.00 0.00 175.52 175.25 3bwu n ASN 72 N -2.28 -4.14 -2.24 5.36 5.03 -1.26 -1.37 115.26 114.35 3bwu n ASN 72 Ca 0.05 -0.82 -0.17 0.00 0.87 0.00 0.00 54.58 54.51 3bwu n ASN 72 Cb 0.44 -3.34 -0.02 0.00 -1.02 0.00 0.00 39.78 35.83 3bwu n ASN 72 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3bwu n ASN 73 N -2.69 -4.96 -0.38 6.41 0.23 -1.26 -4.89 115.26 107.72 3bwu n ASN 73 Ca 0.05 0.14 0.12 0.00 -0.53 0.00 0.00 54.58 54.36 3bwu n ASN 73 Cb 0.51 -4.21 0.13 0.00 -2.08 0.00 0.00 39.78 34.14 3bwu n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bwu n GLN 74 N -2.78 1.01 -1.82 -3.83 6.02 -0.47 -4.96 117.38 110.56 3bwu n GLN 74 Ca -0.20 -0.76 -0.30 0.00 -0.01 0.00 0.00 57.00 55.73 3bwu n GLN 74 Cb 0.64 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 30.46 3bwu n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bwu s LEU 75 N -2.52 2.88 0.43 1.08 1.43 -1.26 -4.99 118.68 115.73 3bwu s LEU 75 Ca 0.20 1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 54.25 3bwu s LEU 75 Cb 0.18 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 3bwu s LEU 75 CO 0.57 -1.41 1.17 -2.65 0.23 0.00 0.00 176.35 174.26 3bwu n PRO 76 N -3.06 1.68 -0.04 1.29 -0.02 -1.26 -4.92 135.00 128.67 3bwu n PRO 76 Ca 0.07 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.25 3bwu n PRO 76 Cb 0.57 -2.26 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 3bwu n PRO 76 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3bwu n GLN 77 N 0.01 1.84 -0.14 -0.52 1.13 -1.26 -4.42 117.38 114.03 3bwu n GLN 77 Ca 0.08 -1.76 0.05 0.00 -1.94 0.00 0.00 57.00 53.43 3bwu n GLN 77 Cb 0.40 -1.39 0.13 0.00 0.11 0.00 0.00 30.24 29.49 3bwu n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3bwu n ASP 78 N 1.13 2.71 -3.48 1.08 5.75 -1.26 -4.80 116.55 117.68 3bwu n ASP 78 Ca 0.12 -1.90 -0.12 0.00 -0.01 0.00 0.00 54.79 52.89 3bwu n ASP 78 Cb 0.50 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 3bwu n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bwu s ARG 79 N -0.98 1.03 0.57 0.11 1.70 -1.26 -4.62 118.95 115.50 3bwu s ARG 79 Ca 0.21 -0.24 -0.19 0.00 -0.47 0.00 0.00 55.73 55.04 3bwu s ARG 79 Cb 0.11 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 3bwu s ARG 79 CO 0.15 -0.42 1.17 -1.21 -1.08 0.00 0.00 175.30 173.90 3bwu s GLU 80 N -2.88 3.13 -0.08 3.89 2.02 0.61 -4.54 118.70 120.86 3bwu s GLU 80 Ca -0.00 1.71 0.01 0.00 0.02 0.00 0.00 54.97 56.72 3bwu s GLU 80 Cb -0.01 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 3bwu s GLU 80 CO -0.07 -1.05 -0.11 -1.12 0.02 0.00 0.00 175.26 172.93 3bwu s SER 81 N -1.71 4.25 -0.16 -0.19 0.01 -0.77 -4.88 113.70 110.26 3bwu s SER 81 Ca 0.75 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 57.67 3bwu s SER 81 Cb -0.27 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 3bwu s SER 81 CO 0.31 0.30 0.41 -0.22 0.41 0.00 0.00 173.24 174.44 3bwu s LEU 82 N -0.42 4.23 0.26 2.44 2.96 -1.26 -1.34 118.68 125.55 3bwu s LEU 82 Ca 0.05 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3bwu s LEU 82 Cb -0.12 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 3bwu s LEU 82 CO 0.02 -0.00 0.00 -0.36 -1.32 0.00 0.00 176.35 174.69 3bwu s PHE 83 N 0.81 1.72 -0.15 5.38 0.08 0.32 -2.77 117.98 123.37 3bwu s PHE 83 Ca 0.22 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.37 3bwu s PHE 83 Cb -0.14 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 3bwu s PHE 83 CO 0.08 0.02 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.50 3bwu s TRP 84 N -3.33 2.12 -0.13 0.36 0.52 0.65 -0.66 118.94 118.47 3bwu s TRP 84 Ca 0.31 -1.19 -0.23 0.00 0.02 0.00 0.00 56.10 55.00 3bwu s TRP 84 Cb 0.06 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3bwu s TRP 84 CO 0.11 -0.66 0.70 1.41 0.02 0.00 0.00 176.95 178.53 3bwu s MET 85 N 1.50 4.33 -0.13 4.98 -2.45 0.19 -1.05 119.30 126.67 3bwu s MET 85 Ca 0.05 0.82 0.02 0.00 -1.25 0.00 0.00 55.69 55.33 3bwu s MET 85 Cb -0.13 -3.52 0.00 0.00 1.25 0.00 0.00 34.83 32.44 3bwu s MET 85 CO -0.11 -0.12 -0.21 -0.80 1.05 0.00 0.00 175.02 174.83 3bwu s ASN 86 N 1.00 3.22 -0.21 1.11 0.01 -0.03 -1.37 114.94 118.67 3bwu s ASN 86 Ca 0.35 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 3bwu s ASN 86 Cb -0.17 -1.46 0.05 0.00 0.41 0.00 0.00 41.25 40.08 3bwu s ASN 86 CO 0.14 0.11 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.07 3bwu s VAL 87 N 0.67 1.56 -0.24 1.60 1.01 -0.35 -1.45 120.40 123.21 3bwu s VAL 87 Ca -0.10 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 3bwu s VAL 87 Cb -0.16 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3bwu s VAL 87 CO 0.02 0.06 0.20 -0.75 0.00 0.00 0.00 175.10 174.63 3bwu s LYS 88 N 1.41 4.08 -0.33 2.72 2.20 0.10 -0.97 119.74 128.95 3bwu s LYS 88 Ca -0.03 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.28 3bwu s LYS 88 Cb -0.17 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 3bwu s LYS 88 CO -0.07 0.04 0.18 0.00 -0.36 0.00 0.00 175.35 175.13 3bwu s ALA 89 N 1.12 3.30 -0.24 3.13 0.00 0.65 -0.79 121.76 128.93 3bwu s ALA 89 Ca 0.09 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 3bwu s ALA 89 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 3bwu s ALA 89 CO 0.05 -1.07 0.12 0.42 0.00 0.00 0.00 175.76 175.28 3bwu s ILE 90 N 1.60 4.91 0.50 0.00 1.01 0.72 -1.76 121.20 128.18 3bwu s ILE 90 Ca 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 3bwu s ILE 90 Cb -0.18 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3bwu s ILE 90 CO 0.07 0.35 0.84 -2.16 0.00 0.00 0.00 174.94 174.03 3bwu s PRO 91 N 1.24 3.59 0.82 2.79 0.04 -1.26 -0.88 135.00 141.34 3bwu s PRO 91 Ca 0.06 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.34 3bwu s PRO 91 Cb -0.14 -2.31 0.10 0.00 0.04 0.00 0.00 34.50 32.19 3bwu s PRO 91 CO 0.05 -0.26 1.18 -1.12 0.04 0.00 0.00 177.00 176.89 3bwu s SER 92 N -3.97 4.24 0.04 6.66 0.01 -1.20 -4.90 113.70 114.59 3bwu s SER 92 Ca 0.50 0.59 0.06 0.00 1.31 0.00 0.00 55.95 58.41 3bwu s SER 92 Cb -0.10 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 3bwu s SER 92 CO 0.45 -2.04 -0.17 -0.32 0.41 0.00 0.00 173.24 171.57 3bwu s MET 93 N -5.59 1.13 0.00 12.44 1.75 -1.26 -5.07 119.30 122.70 3bwu s MET 93 Ca 0.64 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 54.24 3bwu s MET 93 Cb -0.09 -1.19 0.00 0.00 2.84 0.00 0.00 34.83 36.39 3bwu s MET 93 CO 0.49 0.30 0.51 -0.25 -0.65 0.00 0.00 175.02 175.42 3bwu n ASP 94 N 1.86 0.00 0.00 1.11 8.00 -1.26 -5.23 116.55 121.03 3bwu n ASP 94 Ca -0.18 0.58 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3bwu n ASP 94 Cb 0.54 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3bwu n ASP 94 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3bwu n GLU 100 N -1.22 0.00 -2.97 -1.24 0.28 -1.26 -5.35 120.64 108.89 3bwu n GLU 100 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 3bwu n GLU 100 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 3bwu n GLU 100 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3bwu s ASN 101 N -3.31 6.35 0.01 -1.84 0.01 -1.26 -5.02 114.94 109.87 3bwu s ASN 101 Ca 0.00 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 3bwu s ASN 101 Cb 0.00 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 3bwu s ASN 101 CO 0.00 -1.01 -0.06 -0.89 -1.51 0.00 0.00 177.10 173.64 3bwu s THR 102 N 3.36 0.42 -0.24 1.60 2.01 -1.26 -5.12 115.64 116.42 3bwu s THR 102 Ca 0.27 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 3bwu s THR 102 Cb -0.14 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 3bwu s THR 102 CO 0.19 0.00 0.08 -0.22 -0.69 0.00 0.00 174.62 173.98 3bwu s LEU 103 N -0.44 3.56 0.06 4.42 2.96 -1.26 -5.11 118.68 122.89 3bwu s LEU 103 Ca -0.01 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3bwu s LEU 103 Cb -0.04 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3bwu s LEU 103 CO -0.00 0.01 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.30 3bwu s GLN 104 N 1.36 2.05 -0.03 1.98 0.74 -1.26 -5.13 119.66 119.37 3bwu s GLN 104 Ca 0.05 -1.01 0.07 0.00 0.05 0.00 0.00 55.36 54.52 3bwu s GLN 104 Cb -0.15 -2.21 -0.02 0.00 1.10 0.00 0.00 33.01 31.73 3bwu s GLN 104 CO 0.04 0.53 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.54 3bwu s LEU 105 N -1.71 2.05 0.27 3.68 1.43 -1.26 -5.13 118.68 118.00 3bwu s LEU 105 Ca 0.17 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3bwu s LEU 105 Cb -0.11 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3bwu s LEU 105 CO 0.08 0.29 0.39 0.00 0.23 0.00 0.00 176.35 177.35 3bwu s ALA 106 N -0.47 3.99 -0.12 4.21 0.00 -1.26 -4.60 121.76 123.51 3bwu s ALA 106 Ca 0.06 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3bwu s ALA 106 Cb -0.11 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.29 3bwu s ALA 106 CO 0.00 0.16 -0.17 0.42 0.00 0.00 0.00 175.76 176.17 3bwu s ILE 107 N -2.04 1.68 -0.25 0.00 -1.09 -0.72 -4.97 121.20 113.80 3bwu s ILE 107 Ca 0.37 -0.75 -0.09 0.00 -2.23 0.00 0.00 60.65 57.94 3bwu s ILE 107 Cb -0.09 -1.52 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 3bwu s ILE 107 CO 0.30 0.48 0.13 -0.63 -1.23 0.00 0.00 174.94 173.99 3bwu s ILE 108 N 0.92 4.93 -0.24 2.92 1.01 -1.26 -0.26 121.20 129.23 3bwu s ILE 108 Ca -0.07 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 3bwu s ILE 108 Cb -0.15 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3bwu s ILE 108 CO -0.02 0.32 0.31 -0.44 0.00 0.00 0.00 174.94 175.11 3bwu s SER 109 N 1.46 6.27 -0.10 3.58 0.01 -0.15 -4.93 113.70 119.84 3bwu s SER 109 Ca 0.06 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.65 3bwu s SER 109 Cb -0.15 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.91 3bwu s SER 109 CO 0.06 -0.06 -0.17 -0.60 0.41 0.00 0.00 173.24 172.88 3bwu s ARG 110 N 1.48 2.38 0.07 12.44 3.52 -1.26 -1.21 118.95 136.37 3bwu s ARG 110 Ca 0.14 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 3bwu s ARG 110 Cb -0.15 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 3bwu s ARG 110 CO 0.08 0.01 -0.08 0.96 -0.81 0.00 0.00 175.30 175.46 3bwu s ILE 111 N 0.77 0.67 0.27 4.11 -4.36 -0.47 -4.98 121.20 117.21 3bwu s ILE 111 Ca -0.11 -1.41 -0.30 0.00 -0.26 0.00 0.00 60.65 58.57 3bwu s ILE 111 Cb -0.16 -1.04 -0.11 0.00 1.25 0.00 0.00 42.46 42.40 3bwu s ILE 111 CO 0.02 -0.54 1.49 -0.54 0.24 0.00 0.00 174.94 175.61 3bwu s LYS 112 N -2.39 4.21 -0.24 0.37 1.02 -1.26 -0.64 119.74 120.82 3bwu s LYS 112 Ca -0.01 2.41 0.02 0.00 0.02 0.00 0.00 55.97 58.41 3bwu s LYS 112 Cb -0.05 -3.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.25 3bwu s LYS 112 CO -0.01 -0.50 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.67 3bwu s LEU 113 N -0.55 2.81 -0.23 3.17 2.96 0.16 -0.53 118.68 126.46 3bwu s LEU 113 Ca 0.60 -1.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.24 3bwu s LEU 113 Cb -0.44 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3bwu s LEU 113 CO 0.46 -0.20 0.11 -0.31 -1.32 0.00 0.00 176.35 175.09 3bwu s TYR 114 N 1.29 3.19 -0.16 5.38 2.02 -0.00 -0.52 117.35 128.55 3bwu s TYR 114 Ca -0.06 -0.07 -0.27 0.00 -0.37 0.00 0.00 57.07 56.30 3bwu s TYR 114 Cb -0.19 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 3bwu s TYR 114 CO -0.06 -0.11 0.90 -0.47 -1.57 0.00 0.00 175.55 174.24 3bwu s TYR 115 N 1.20 3.44 -0.30 2.71 5.04 -0.45 -0.13 117.35 128.86 3bwu s TYR 115 Ca 0.06 1.37 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 3bwu s TYR 115 Cb -0.14 -3.08 0.08 0.00 0.35 0.00 0.00 41.96 39.17 3bwu s TYR 115 CO 0.04 -0.25 -0.02 0.50 -1.34 0.00 0.00 175.55 174.48 3bwu s ARG 116 N 2.19 1.83 0.79 4.97 3.52 -0.03 -1.84 118.95 130.38 3bwu s ARG 116 Ca 0.42 -1.64 -0.14 0.00 -0.13 0.00 0.00 55.73 54.23 3bwu s ARG 116 Cb -0.17 -3.07 0.04 0.00 -1.56 0.00 0.00 34.95 30.19 3bwu s ARG 116 CO 0.13 -0.77 0.98 -2.30 -0.81 0.00 0.00 175.30 172.53 3bwu n PRO 117 N 4.33 0.25 -1.62 5.12 -0.02 -1.26 -1.41 135.00 140.39 3bwu n PRO 117 Ca -0.04 0.15 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 3bwu n PRO 117 Cb 0.42 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3bwu n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwu s ALA 118 N -2.03 2.55 -1.70 3.55 0.00 -1.26 -4.27 121.76 118.60 3bwu s ALA 118 Ca 0.71 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 3bwu s ALA 118 Cb -0.31 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3bwu s ALA 118 CO 0.53 -1.40 0.05 1.63 0.00 0.00 0.00 175.76 176.58 3bwu n LYS 119 N -3.22 -1.87 -2.11 0.00 4.76 -1.26 -4.95 118.16 109.51 3bwu n LYS 119 Ca 0.07 0.96 -0.42 0.00 -2.87 0.00 0.00 58.31 56.05 3bwu n LYS 119 Cb 0.55 -5.59 -0.03 0.00 -1.84 0.00 0.00 35.03 28.12 3bwu n LYS 119 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3bwu s LEU 120 N -5.82 4.35 0.27 -0.35 1.43 -1.26 -4.90 118.68 112.39 3bwu s LEU 120 Ca 0.03 2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 3bwu s LEU 120 Cb -0.01 -3.57 0.47 0.00 0.03 0.00 0.00 46.19 43.11 3bwu s LEU 120 CO 0.03 -0.75 1.86 0.00 0.23 0.00 0.00 176.35 177.72 3bwu h ALA 121 N 7.62 1.45 -2.75 4.21 0.00 -1.95 -3.38 119.26 124.45 3bwu h ALA 121 Ca -0.41 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 3bwu h ALA 121 Cb 1.19 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3bwu h ALA 121 CO 0.90 0.34 -0.21 -1.17 0.00 0.00 0.00 179.25 179.10 3bwu s LEU 122 N -10.20 4.07 0.71 0.00 2.96 -1.26 -5.07 118.68 109.88 3bwu s LEU 122 Ca -0.12 0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 54.02 3bwu s LEU 122 Cb 0.21 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.46 3bwu s LEU 122 CO 0.81 -0.16 1.11 -2.84 -1.32 0.00 0.00 176.35 173.95 3bwu s PRO 123 N 1.88 2.56 0.37 0.98 0.02 -1.26 -4.91 135.00 134.64 3bwu s PRO 123 Ca 0.16 1.32 0.07 0.00 0.02 0.00 0.00 61.00 62.58 3bwu s PRO 123 Cb -0.15 -1.92 0.74 0.00 0.02 0.00 0.00 34.50 33.18 3bwu s PRO 123 CO 0.09 -1.43 1.92 -1.35 -0.33 0.00 0.00 177.00 175.90 3bwu h PRO 124 N -0.44 0.37 0.00 5.54 0.11 -1.97 -2.41 132.00 133.20 3bwu h PRO 124 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3bwu h PRO 124 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bwu h PRO 124 CO 0.53 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 3bwu n ASP 125 N -4.30 0.00 -0.91 -2.05 5.75 -1.26 -2.32 116.55 111.46 3bwu n ASP 125 Ca 0.00 0.25 0.12 0.00 -0.01 0.00 0.00 54.79 55.16 3bwu n ASP 125 Cb 0.23 -0.40 0.18 0.00 -1.03 0.00 0.00 41.12 40.10 3bwu n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bwu n GLN 126 N -1.40 2.25 -0.04 0.11 6.02 -0.91 -4.58 117.38 118.84 3bwu n GLN 126 Ca 0.08 -1.83 -0.14 0.00 -0.01 0.00 0.00 57.00 55.10 3bwu n GLN 126 Cb 0.21 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 29.91 3bwu n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bwu h ALA 127 N 4.63 0.11 -1.00 -1.58 0.00 -1.55 -3.33 119.26 116.53 3bwu h ALA 127 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.63 3bwu h ALA 127 Cb 0.92 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3bwu h ALA 127 CO 0.00 0.05 0.64 0.00 0.00 0.00 0.00 179.25 179.94 3bwu h ALA 128 N 0.46 1.46 0.00 0.00 0.00 -1.81 -0.88 119.26 118.48 3bwu h ALA 128 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bwu h ALA 128 Cb 0.79 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3bwu h ALA 128 CO 0.04 0.36 0.00 1.49 0.00 0.00 0.00 179.25 181.13 3bwu h GLU 129 N 1.10 0.00 0.00 0.00 4.22 -1.88 -2.99 114.58 115.02 3bwu h GLU 129 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.90 3bwu h GLU 129 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3bwu h GLU 129 CO -0.21 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.25 3bwu n LYS 130 N -3.07 0.22 -1.69 1.92 4.76 -0.34 -4.87 118.16 115.10 3bwu n LYS 130 Ca -0.01 0.20 -0.44 0.00 -2.87 0.00 0.00 58.31 55.20 3bwu n LYS 130 Cb 0.22 -1.76 -0.02 0.00 -1.84 0.00 0.00 35.03 31.63 3bwu n LYS 130 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3bwu n LEU 131 N -2.15 3.35 -4.37 -0.35 7.94 -1.13 -4.59 117.00 115.70 3bwu n LEU 131 Ca 0.05 1.16 -0.19 0.00 -1.11 0.00 0.00 56.01 55.93 3bwu n LEU 131 Cb 0.40 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.78 3bwu n LEU 131 CO 0.29 -0.41 -0.33 -0.13 -1.11 0.00 0.00 177.39 175.69 3bwu s ARG 132 N -0.77 1.42 -0.01 1.96 1.81 -0.40 -4.52 118.95 118.44 3bwu s ARG 132 Ca 0.65 -1.73 0.04 0.00 -1.72 0.00 0.00 55.73 52.97 3bwu s ARG 132 Cb -0.61 -0.79 -0.01 0.00 -0.45 0.00 0.00 34.95 33.09 3bwu s ARG 132 CO 0.52 -0.07 -0.14 -0.06 -0.68 0.00 0.00 175.30 174.87 3bwu s PHE 133 N -3.29 1.30 -0.16 -0.53 0.08 -0.33 -0.48 117.98 114.57 3bwu s PHE 133 Ca 0.29 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.10 3bwu s PHE 133 Cb 0.05 -0.84 0.02 0.00 -0.57 0.00 0.00 43.02 41.68 3bwu s PHE 133 CO 0.10 -0.03 -0.17 0.50 -0.10 0.00 0.00 175.22 175.52 3bwu s ARG 134 N -0.32 2.66 -0.12 0.44 3.52 0.19 -0.70 118.95 124.62 3bwu s ARG 134 Ca 0.05 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3bwu s ARG 134 Cb -0.06 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 3bwu s ARG 134 CO -0.00 -0.21 -0.10 0.50 -0.81 0.00 0.00 175.30 174.67 3bwu s ARG 135 N 1.34 3.31 0.13 5.12 3.52 -1.26 0.11 118.95 131.23 3bwu s ARG 135 Ca 0.04 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3bwu s ARG 135 Cb -0.13 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 3bwu s ARG 135 CO -0.11 0.30 0.05 -1.13 -0.81 0.00 0.00 175.30 173.61 3bwu n SER 136 N 3.29 1.81 -0.14 -2.12 3.41 -0.34 -5.03 113.62 114.50 3bwu n SER 136 Ca -0.18 -1.48 -0.05 0.00 -0.26 0.00 0.00 58.87 56.90 3bwu n SER 136 Cb 0.53 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3bwu n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bwu h ALA 137 N 0.88 0.53 0.00 7.33 0.00 -1.99 -3.30 119.26 122.71 3bwu h ALA 137 Ca -0.09 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3bwu h ALA 137 Cb 0.30 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 3bwu h ALA 137 CO 0.15 -0.22 -0.61 0.09 0.00 0.00 0.00 179.25 178.66 3bwu n ASN 138 N -5.00 1.06 -3.86 0.00 4.13 -1.26 -4.70 115.26 105.63 3bwu n ASN 138 Ca 0.03 -2.54 -0.11 0.00 1.68 0.00 0.00 54.58 53.65 3bwu n ASN 138 Cb 0.16 -0.33 -0.09 0.00 -1.54 0.00 0.00 39.78 37.98 3bwu n ASN 138 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3bwu s SER 139 N -2.08 0.03 -0.08 6.41 0.15 -1.24 -1.87 113.70 115.02 3bwu s SER 139 Ca 0.24 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3bwu s SER 139 Cb 0.25 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 3bwu s SER 139 CO -0.07 -0.49 -0.07 -0.22 1.20 0.00 0.00 173.24 173.60 3bwu s LEU 140 N -1.83 1.23 -0.19 3.45 2.96 -0.32 -1.20 118.68 122.77 3bwu s LEU 140 Ca -0.09 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.53 3bwu s LEU 140 Cb -0.03 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3bwu s LEU 140 CO -0.02 -0.08 0.05 -0.89 -1.32 0.00 0.00 176.35 174.09 3bwu s THR 141 N 1.32 4.56 -0.14 3.68 2.01 0.12 -1.07 115.64 126.11 3bwu s THR 141 Ca -0.03 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.73 3bwu s THR 141 Cb -0.14 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 3bwu s THR 141 CO -0.03 0.44 0.28 -0.76 -0.69 0.00 0.00 174.62 173.85 3bwu s LEU 142 N 0.65 4.29 -0.18 4.42 1.02 0.11 -0.64 118.68 128.36 3bwu s LEU 142 Ca 0.03 0.54 0.01 0.00 0.02 0.00 0.00 54.13 54.72 3bwu s LEU 142 Cb -0.13 -2.34 0.02 0.00 0.02 0.00 0.00 46.19 43.75 3bwu s LEU 142 CO 0.02 0.17 -0.20 -0.63 0.02 0.00 0.00 176.35 175.73 3bwu s ILE 143 N 0.09 2.11 -0.40 -0.59 1.01 0.37 -1.42 121.20 122.37 3bwu s ILE 143 Ca 0.17 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3bwu s ILE 143 Cb -0.13 -1.88 0.11 0.00 0.01 0.00 0.00 42.46 40.57 3bwu s ILE 143 CO 0.05 0.54 0.17 0.21 0.00 0.00 0.00 174.94 175.90 3bwu s ASN 144 N 1.26 5.06 -0.00 3.58 2.47 0.17 -1.28 114.94 126.20 3bwu s ASN 144 Ca 0.04 -2.16 0.08 0.00 0.42 0.00 0.00 52.86 51.23 3bwu s ASN 144 Cb -0.13 -1.76 0.23 0.00 -1.45 0.00 0.00 41.25 38.14 3bwu s ASN 144 CO -0.12 -0.47 1.18 -0.81 -3.72 0.00 0.00 177.10 173.16 3bwu n PRO 145 N 4.35 1.63 -3.20 0.43 -0.04 -1.26 -0.94 135.00 135.97 3bwu n PRO 145 Ca 0.01 -0.93 -0.18 0.00 -0.04 0.00 0.00 63.50 62.36 3bwu n PRO 145 Cb 0.41 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3bwu n PRO 145 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3bwu s THR 146 N -1.66 3.43 -1.95 0.52 -4.23 -1.26 -4.60 115.64 105.89 3bwu s THR 146 Ca 0.17 -1.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.98 3bwu s THR 146 Cb 0.09 -3.17 0.82 0.00 1.34 0.00 0.00 72.50 71.58 3bwu s THR 146 CO 0.11 -0.06 2.10 -2.65 -0.54 0.00 0.00 174.62 173.58 3bwu n PRO 147 N -1.76 0.88 -4.69 3.99 -0.02 -1.26 -1.41 135.00 130.73 3bwu n PRO 147 Ca 0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 3bwu n PRO 147 Cb 0.59 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.45 3bwu n PRO 147 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3bwu s TYR 148 N -2.05 2.84 0.18 6.00 2.02 -1.26 -0.28 117.35 124.80 3bwu s TYR 148 Ca 0.43 -0.05 -0.32 0.00 -0.37 0.00 0.00 57.07 56.77 3bwu s TYR 148 Cb 0.20 -1.66 -0.11 0.00 -0.40 0.00 0.00 41.96 39.99 3bwu s TYR 148 CO 0.35 0.29 1.77 0.71 -1.57 0.00 0.00 175.55 177.10 3bwu s TYR 149 N -0.81 2.60 -0.28 2.71 2.02 -1.26 -4.16 117.35 118.17 3bwu s TYR 149 Ca 0.13 0.19 -0.08 0.00 -0.37 0.00 0.00 57.07 56.94 3bwu s TYR 149 Cb -0.11 -4.16 -0.01 0.00 -0.40 0.00 0.00 41.96 37.28 3bwu s TYR 149 CO 0.02 -4.56 0.09 -0.51 -1.57 0.00 0.00 175.55 169.02 3bwu s LEU 150 N 1.80 3.71 -0.58 -1.29 1.43 -0.68 -4.97 118.68 118.10 3bwu s LEU 150 Ca 0.77 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.23 3bwu s LEU 150 Cb -0.48 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 43.89 3bwu s LEU 150 CO 0.34 -0.12 0.76 -0.89 0.23 0.00 0.00 176.35 176.66 3bwu s THR 151 N 1.57 4.69 -0.19 5.49 2.01 -1.26 -0.66 115.64 127.29 3bwu s THR 151 Ca 0.05 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 3bwu s THR 151 Cb -0.16 -4.48 -0.05 0.00 0.01 0.00 0.00 72.50 67.82 3bwu s THR 151 CO 0.04 -1.11 0.19 -0.69 -0.69 0.00 0.00 174.62 172.35 3bwu s VAL 152 N 3.06 5.37 0.29 3.82 1.01 0.45 -1.09 120.40 133.32 3bwu s VAL 152 Ca 0.16 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 3bwu s VAL 152 Cb -0.20 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3bwu s VAL 152 CO 0.10 0.41 0.38 0.28 0.00 0.00 0.00 175.10 176.27 3bwu s THR 153 N 0.47 0.00 -1.63 3.92 -1.32 -0.38 -1.78 115.64 114.92 3bwu s THR 153 Ca 0.11 -1.69 -0.10 0.00 -1.21 0.00 0.00 61.69 58.80 3bwu s THR 153 Cb -0.12 -2.50 0.09 0.00 -1.51 0.00 0.00 72.50 68.46 3bwu s THR 153 CO 0.00 0.00 0.41 -0.62 -2.21 0.00 0.00 174.62 172.21 3bwu n GLU 154 N -0.48 -1.95 -2.79 7.08 1.02 -1.26 -1.06 120.64 121.20 3bwu n GLU 154 Ca 0.01 0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.97 3bwu n GLU 154 Cb 0.63 -4.41 -0.03 0.00 -0.02 0.00 0.00 31.44 27.60 3bwu n GLU 154 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3bwu s LEU 155 N -7.23 4.03 0.00 -4.62 2.96 -1.26 -4.02 118.68 108.54 3bwu s LEU 155 Ca 0.36 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 55.24 3bwu s LEU 155 Cb -0.20 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 3bwu s LEU 155 CO 0.96 -0.72 -0.21 0.20 -1.32 0.00 0.00 176.35 175.26 3bwu s ASN 156 N 1.58 2.51 -0.28 3.68 0.01 -0.22 -0.03 114.94 122.20 3bwu s ASN 156 Ca 0.39 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 3bwu s ASN 156 Cb -0.13 -0.26 0.06 0.00 0.41 0.00 0.00 41.25 41.33 3bwu s ASN 156 CO 0.13 0.23 -0.07 0.00 -1.51 0.00 0.00 177.10 175.88 3bwu s ALA 157 N -0.60 2.66 0.00 0.60 0.00 -0.30 -1.37 121.76 122.76 3bwu s ALA 157 Ca 0.08 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3bwu s ALA 157 Cb -0.08 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3bwu s ALA 157 CO 0.00 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.94 3bwu n GLY 158 N 4.49 3.80 0.73 0.00 0.00 0.43 -1.48 105.19 113.16 3bwu n GLY 158 Ca -0.13 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3bwu n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bwu n THR 159 N 0.00 0.00 -3.05 2.61 -2.24 -1.26 -4.89 114.28 105.45 3bwu n THR 159 Ca 0.00 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 3bwu n THR 159 Cb 0.00 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 3bwu n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3bwu s ARG 160 N -2.00 4.15 -0.09 -0.78 1.81 -0.55 -5.03 118.95 116.46 3bwu s ARG 160 Ca 0.33 0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 54.71 3bwu s ARG 160 Cb 0.20 -3.64 -0.02 0.00 -0.45 0.00 0.00 34.95 31.05 3bwu s ARG 160 CO 0.32 -0.41 0.98 0.08 -0.68 0.00 0.00 175.30 175.59 3bwu s VAL 161 N 2.48 4.81 0.42 3.52 1.01 -1.26 -1.14 120.40 130.24 3bwu s VAL 161 Ca 0.29 2.01 0.08 0.00 0.00 0.00 0.00 61.98 64.36 3bwu s VAL 161 Cb -0.16 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3bwu s VAL 161 CO 0.09 0.04 0.53 -0.76 0.00 0.00 0.00 175.10 175.00 3bwu s LEU 162 N 1.78 3.58 0.54 3.92 1.43 0.96 -4.99 118.68 125.90 3bwu s LEU 162 Ca 0.48 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 3bwu s LEU 162 Cb -0.19 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3bwu s LEU 162 CO 0.20 -0.74 1.29 -1.61 0.23 0.00 0.00 176.35 175.71 3bwu s GLU 163 N -4.30 3.23 0.73 1.70 2.02 -1.26 -4.54 118.70 116.28 3bwu s GLU 163 Ca 0.53 2.06 -0.15 0.00 0.02 0.00 0.00 54.97 57.44 3bwu s GLU 163 Cb -0.08 -2.22 0.04 0.00 0.10 0.00 0.00 34.13 31.96 3bwu s GLU 163 CO 0.32 -1.07 1.19 -0.80 0.02 0.00 0.00 175.26 174.92 3bwu s ASN 164 N -1.16 4.22 0.00 -0.19 0.02 -1.26 -4.82 114.94 111.76 3bwu s ASN 164 Ca 0.71 2.31 -0.02 0.00 -1.02 0.00 0.00 52.86 54.84 3bwu s ASN 164 Cb -0.36 -2.58 -0.01 0.00 0.02 0.00 0.00 41.25 38.32 3bwu s ASN 164 CO 0.42 -2.24 0.03 0.00 0.02 0.00 0.00 177.10 175.33 3bwu s ALA 165 N -2.05 -0.05 -0.35 0.60 0.00 -0.74 -5.02 121.76 114.15 3bwu s ALA 165 Ca 0.73 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 3bwu s ALA 165 Cb -0.28 0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.93 3bwu s ALA 165 CO 0.46 -0.11 0.12 -1.17 0.00 0.00 0.00 175.76 175.05 3bwu s LEU 166 N -0.83 4.40 -0.33 0.00 2.96 -1.26 -0.41 118.68 123.21 3bwu s LEU 166 Ca -0.09 -1.17 -0.13 0.00 -0.22 0.00 0.00 54.13 52.52 3bwu s LEU 166 Cb -0.06 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3bwu s LEU 166 CO -0.00 -0.34 0.23 -0.69 -1.32 0.00 0.00 176.35 174.23 3bwu s VAL 167 N 1.41 5.28 0.66 1.68 1.01 0.16 -4.85 120.40 125.76 3bwu s VAL 167 Ca -0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 3bwu s VAL 167 Cb -0.20 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3bwu s VAL 167 CO 0.03 0.03 1.15 -2.84 0.00 0.00 0.00 175.10 173.46 3bwu s PRO 168 N 1.73 2.68 0.33 2.72 0.02 -1.26 -1.68 135.00 139.53 3bwu s PRO 168 Ca 0.06 1.56 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 3bwu s PRO 168 Cb -0.17 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 3bwu s PRO 168 CO 0.11 -1.38 1.44 -2.30 -0.33 0.00 0.00 177.00 174.54 3bwu n PRO 169 N -2.32 2.44 -4.33 5.54 -0.02 -1.26 -1.21 135.00 133.84 3bwu n PRO 169 Ca 0.12 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 62.08 3bwu n PRO 169 Cb 0.51 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 3bwu n PRO 169 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3bwu n MET 170 N 1.05 -2.25 -1.39 -0.52 2.81 -0.11 -4.90 117.12 111.80 3bwu n MET 170 Ca 0.05 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 3bwu n MET 170 Cb 0.37 -4.89 0.00 0.00 -0.71 0.00 0.00 33.22 27.99 3bwu n MET 170 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bwu n GLY 171 N -1.36 4.33 3.23 3.03 0.00 -0.35 -4.97 105.19 109.10 3bwu n GLY 171 Ca 0.06 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 3bwu n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bwu s GLU 172 N -1.11 0.90 -0.02 1.61 2.02 -1.26 -0.65 118.70 120.18 3bwu s GLU 172 Ca 0.00 -0.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.92 3bwu s GLU 172 Cb 0.00 0.35 0.01 0.00 0.10 0.00 0.00 34.13 34.59 3bwu s GLU 172 CO 0.00 -0.30 0.18 -1.12 0.02 0.00 0.00 175.26 174.05 3bwu s SER 173 N -2.88 -0.07 -0.04 -0.19 0.01 -0.50 -4.57 113.70 105.46 3bwu s SER 173 Ca 0.07 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.39 3bwu s SER 173 Cb 0.05 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 3bwu s SER 173 CO -0.09 -0.30 -0.20 -0.89 0.41 0.00 0.00 173.24 172.17 3bwu s THR 174 N -0.97 1.64 0.19 1.44 2.01 -1.26 0.10 115.64 118.79 3bwu s THR 174 Ca -0.11 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.14 3bwu s THR 174 Cb -0.06 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3bwu s THR 174 CO 0.02 0.47 -0.18 0.68 -0.69 0.00 0.00 174.62 174.91 3bwu s VAL 175 N -0.15 1.94 0.58 3.82 -7.23 -0.24 -4.98 120.40 114.15 3bwu s VAL 175 Ca -0.01 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 57.90 3bwu s VAL 175 Cb -0.11 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3bwu s VAL 175 CO 0.02 -0.38 1.22 -0.54 -0.31 0.00 0.00 175.10 175.11 3bwu s LYS 176 N -3.09 3.01 -0.06 4.82 -0.14 -1.26 -1.17 119.74 121.85 3bwu s LYS 176 Ca 0.20 1.87 -0.02 0.00 -1.36 0.00 0.00 55.97 56.66 3bwu s LYS 176 Cb -0.05 -1.98 0.03 0.00 -1.68 0.00 0.00 37.83 34.16 3bwu s LYS 176 CO 0.08 -1.18 0.06 -1.17 -0.76 0.00 0.00 175.35 172.38 3bwu s LEU 177 N -3.97 0.20 0.57 3.17 2.96 -0.78 -4.71 118.68 116.12 3bwu s LEU 177 Ca 0.76 -0.02 -0.20 0.00 -0.22 0.00 0.00 54.13 54.45 3bwu s LEU 177 Cb -0.32 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 3bwu s LEU 177 CO 0.35 -0.26 1.13 -2.65 -1.32 0.00 0.00 176.35 173.60 3bwu n PRO 178 N 5.28 1.23 0.11 0.98 -0.02 -1.26 -4.34 135.00 136.99 3bwu n PRO 178 Ca -0.04 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 3bwu n PRO 178 Cb 0.50 -2.32 0.47 0.00 -0.02 0.00 0.00 33.50 32.12 3bwu n PRO 178 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3bwu h SER 179 N 0.91 0.26 0.40 2.55 0.02 -1.95 -2.56 113.55 113.18 3bwu h SER 179 Ca -0.49 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3bwu h SER 179 Cb 1.34 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3bwu h SER 179 CO 0.54 0.27 -0.35 -0.90 -1.14 0.00 0.00 176.83 175.25 3bwu n ASP 180 N -4.42 0.70 -4.63 3.07 5.68 -1.26 -4.96 116.55 110.73 3bwu n ASP 180 Ca 0.00 -0.51 -0.45 0.00 -0.50 0.00 0.00 54.79 53.33 3bwu n ASP 180 Cb 0.15 0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 3bwu n ASP 180 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bwu n ALA 181 N -1.10 0.38 -1.01 2.12 0.00 -0.97 -4.95 120.51 114.99 3bwu n ALA 181 Ca 0.09 0.41 -0.28 0.00 0.00 0.00 0.00 53.44 53.65 3bwu n ALA 181 Cb 0.34 -2.15 0.20 0.00 0.00 0.00 0.00 19.45 17.84 3bwu n ALA 181 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3bwu s GLY 182 N -0.13 1.55 0.26 0.00 0.00 -1.18 -4.86 107.32 102.97 3bwu s GLY 182 Ca 0.64 -0.35 0.18 0.00 0.00 0.00 0.00 44.72 45.19 3bwu s GLY 182 CO 0.56 0.31 1.31 1.48 0.00 0.00 0.00 173.10 176.75 3bwu h SER 183 N -2.14 0.00 -3.54 1.64 4.64 -1.92 -3.26 113.55 108.97 3bwu h SER 183 Ca -0.57 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.17 3bwu h SER 183 Cb 1.34 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.34 3bwu h SER 183 CO 0.56 0.34 0.75 0.54 -0.87 0.00 0.00 176.83 178.14 3bwu s ASN 184 N -6.13 6.69 -0.03 4.97 6.03 -1.26 -4.84 114.94 120.38 3bwu s ASN 184 Ca 0.03 0.58 -0.16 0.00 -1.03 0.00 0.00 52.86 52.28 3bwu s ASN 184 Cb 0.07 -2.50 -0.05 0.00 -3.03 0.00 0.00 41.25 35.74 3bwu s ASN 184 CO 0.75 -1.01 0.43 -0.63 -2.03 0.00 0.00 177.10 174.61 3bwu s ILE 185 N 3.84 5.05 0.08 0.54 -1.09 -1.26 -0.43 121.20 127.94 3bwu s ILE 185 Ca 0.42 0.88 0.03 0.00 -2.23 0.00 0.00 60.65 59.75 3bwu s ILE 185 Cb -0.10 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3bwu s ILE 185 CO 0.23 0.51 -0.08 0.42 -1.23 0.00 0.00 174.94 174.79 3bwu s THR 186 N -0.64 0.75 0.21 2.92 -4.23 -0.47 -0.29 115.64 113.90 3bwu s THR 186 Ca 0.24 -1.55 -0.20 0.00 -1.18 0.00 0.00 61.69 59.00 3bwu s THR 186 Cb -0.16 -1.22 0.04 0.00 1.34 0.00 0.00 72.50 72.49 3bwu s THR 186 CO 0.13 -0.59 0.61 -0.72 -0.54 0.00 0.00 174.62 173.50 3bwu s TYR 187 N -2.44 -0.24 0.34 3.99 -0.85 -0.58 -1.05 117.35 116.52 3bwu s TYR 187 Ca 0.03 -0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 3bwu s TYR 187 Cb -0.03 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 3bwu s TYR 187 CO -0.01 -1.01 0.09 1.03 -1.52 0.00 0.00 175.55 174.13 3bwu s ARG 188 N -3.86 1.71 0.20 -3.49 0.52 -0.22 -0.92 118.95 112.89 3bwu s ARG 188 Ca 0.08 -1.98 0.04 0.00 -0.52 0.00 0.00 55.73 53.35 3bwu s ARG 188 Cb -0.03 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 34.75 3bwu s ARG 188 CO -0.02 -0.32 -0.05 0.95 0.02 0.00 0.00 175.30 175.89 3bwu s THR 189 N -3.36 1.13 -0.26 0.02 -4.23 -1.26 -1.25 115.64 106.44 3bwu s THR 189 Ca 0.32 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.67 3bwu s THR 189 Cb 0.06 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 3bwu s THR 189 CO 0.15 -0.48 0.19 -0.63 -0.54 0.00 0.00 174.62 173.31 3bwu s ILE 190 N -3.35 5.32 0.00 2.99 -1.09 -0.25 -0.99 121.20 123.83 3bwu s ILE 190 Ca 0.24 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 3bwu s ILE 190 Cb 0.04 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3bwu s ILE 190 CO 0.06 0.28 0.00 -0.46 -1.23 0.00 0.00 174.94 173.59 3bwu n ASN 191 N 4.75 0.00 0.28 3.58 0.23 0.17 -4.50 115.26 119.77 3bwu n ASN 191 Ca -0.14 -0.88 0.14 0.00 -0.53 0.00 0.00 54.58 53.17 3bwu n ASN 191 Cb 0.52 0.00 0.85 0.00 -2.08 0.00 0.00 39.78 39.07 3bwu n ASN 191 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3bwu h ASP 192 N 0.00 0.00 -0.55 0.53 3.32 -1.99 -1.54 116.42 116.19 3bwu h ASP 192 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bwu h ASP 192 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3bwu h ASP 192 CO 0.00 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 176.35 3bwu n TYR 193 N -3.74 0.72 -0.86 4.55 4.01 -1.26 -4.84 117.16 115.74 3bwu n TYR 193 Ca -0.02 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 3bwu n TYR 193 Cb 0.15 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3bwu n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bwu n GLY 194 N 1.57 0.59 3.82 2.72 0.00 -0.58 -4.95 105.19 108.36 3bwu n GLY 194 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3bwu n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwu s ALA 195 N -2.11 3.62 0.16 4.61 0.00 -1.26 -4.74 121.76 122.04 3bwu s ALA 195 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 3bwu s ALA 195 Cb 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.62 3bwu s ALA 195 CO 0.00 0.51 1.24 -0.51 0.00 0.00 0.00 175.76 177.01 3bwu s LEU 196 N -3.10 4.42 0.59 0.00 1.43 -1.26 -0.66 118.68 120.10 3bwu s LEU 196 Ca 0.31 2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 55.60 3bwu s LEU 196 Cb -0.10 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3bwu s LEU 196 CO 0.24 -0.45 0.89 0.42 0.23 0.00 0.00 176.35 177.68 3bwu s THR 197 N 0.31 3.46 0.53 5.49 -4.23 -0.16 -4.93 115.64 116.11 3bwu s THR 197 Ca 0.56 -0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 3bwu s THR 197 Cb -0.33 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 3bwu s THR 197 CO 0.35 -0.38 1.36 -2.84 -0.54 0.00 0.00 174.62 172.57 3bwu s PRO 198 N -4.98 3.25 0.25 3.99 0.02 -1.26 -4.38 135.00 131.89 3bwu s PRO 198 Ca 0.54 2.23 -0.31 0.00 0.02 0.00 0.00 61.00 63.49 3bwu s PRO 198 Cb -0.10 -2.32 -0.13 0.00 0.02 0.00 0.00 34.50 31.97 3bwu s PRO 198 CO 0.44 -1.10 1.54 1.17 -0.33 0.00 0.00 177.00 178.72 3bwu n LYS 199 N -0.88 2.39 -4.31 5.54 4.81 -1.26 -4.70 118.16 119.75 3bwu n LYS 199 Ca 0.09 0.85 -0.24 0.00 -0.87 0.00 0.00 58.31 58.15 3bwu n LYS 199 Cb 0.45 -2.60 -0.12 0.00 0.02 0.00 0.00 35.03 32.78 3bwu n LYS 199 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3bwu s MET 200 N -0.11 1.19 -0.00 1.64 -1.94 -0.09 -4.96 119.30 115.03 3bwu s MET 200 Ca 0.69 -1.24 -0.25 0.00 -1.71 0.00 0.00 55.69 53.18 3bwu s MET 200 Cb -0.58 -1.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.79 3bwu s MET 200 CO 0.46 0.32 0.76 0.99 -0.01 0.00 0.00 175.02 177.54 3bwu s THR 201 N -1.34 4.87 0.13 2.05 2.01 -1.26 -1.53 115.64 120.57 3bwu s THR 201 Ca 0.09 1.59 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 3bwu s THR 201 Cb -0.09 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 3bwu s THR 201 CO 0.05 0.30 1.42 -0.83 -0.69 0.00 0.00 174.62 174.88 3bwu s GLY 202 N 0.36 1.92 -0.11 4.40 0.00 0.60 -4.96 107.32 109.52 3bwu s GLY 202 Ca 0.39 1.18 -0.04 0.00 0.00 0.00 0.00 44.72 46.25 3bwu s GLY 202 CO 0.21 2.39 0.03 0.14 0.00 0.00 0.00 173.10 175.87 3bwu s VAL 203 N 1.01 4.57 0.40 1.40 1.01 -1.26 -4.72 120.40 122.81 3bwu s VAL 203 Ca 0.65 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3bwu s VAL 203 Cb -0.38 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 3bwu s VAL 203 CO 0.31 0.57 1.12 -0.32 0.00 0.00 0.00 175.10 176.79 3bwu s MET 204 N -0.58 4.10 0.00 2.72 1.75 -1.26 -1.18 119.30 124.85 3bwu s MET 204 Ca 0.10 1.71 0.00 0.00 -1.25 0.00 0.00 55.69 56.25 3bwu s MET 204 Cb -0.12 -2.63 0.00 0.00 2.84 0.00 0.00 34.83 34.92 3bwu s MET 204 CO 0.02 -0.24 0.41 -1.91 -0.65 0.00 0.00 175.02 172.65