#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwu s PRO 13 N 0.00 3.64 -0.59 1.96 0.04 -1.26 -5.00 135.00 133.79 1cwu s PRO 13 Ca 0.00 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.32 1cwu s PRO 13 Cb 0.00 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1cwu s PRO 13 CO 0.00 -0.30 0.76 0.42 0.04 0.00 0.00 177.00 177.93 1cwu s ILE 14 N -2.80 4.69 -0.43 0.56 1.01 -1.26 -4.98 121.20 117.98 1cwu s ILE 14 Ca 0.51 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1cwu s ILE 14 Cb -0.10 -4.50 0.04 0.00 0.01 0.00 0.00 42.46 37.90 1cwu s ILE 14 CO 0.44 -1.13 0.36 -0.62 0.00 0.00 0.00 174.94 173.99 1cwu s ASP 15 N 3.39 6.14 0.00 3.58 -1.08 -1.26 -4.54 116.67 122.90 1cwu s ASP 15 Ca 0.16 -0.98 0.16 0.00 -0.52 0.00 0.00 52.55 51.37 1cwu s ASP 15 Cb -0.21 -2.18 0.21 0.00 -1.46 0.00 0.00 42.92 39.29 1cwu s ASP 15 CO 0.09 -0.54 1.11 0.18 0.52 0.00 0.00 175.17 176.53 1cwu n LEU 16 N 5.28 2.63 -4.44 -1.34 4.77 0.35 -4.76 117.00 119.49 1cwu n LEU 16 Ca -0.11 -1.26 -0.51 0.00 -0.03 0.00 0.00 56.01 54.11 1cwu n LEU 16 Cb 0.46 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1cwu n LEU 16 CO 0.44 0.53 0.19 0.54 -1.33 0.00 0.00 177.39 177.76 1cwu n ARG 17 N 0.95 0.08 -0.86 3.23 1.74 -0.97 0.23 116.66 121.05 1cwu n ARG 17 Ca 0.12 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1cwu n ARG 17 Cb 0.44 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1cwu n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cwu n GLY 18 N 1.84 0.64 3.92 -0.13 0.00 -1.25 -4.92 105.19 105.28 1cwu n GLY 18 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1cwu n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwu s LYS 19 N -0.36 3.30 0.00 1.61 -0.14 0.13 -5.00 119.74 119.29 1cwu s LYS 19 Ca 0.00 -0.74 0.06 0.00 -1.36 0.00 0.00 55.97 53.93 1cwu s LYS 19 Cb 0.00 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 33.28 1cwu s LYS 19 CO 0.00 0.48 -0.18 0.50 -0.76 0.00 0.00 175.35 175.38 1cwu s ARG 20 N -3.50 1.39 -0.01 1.68 3.52 -1.26 -0.35 118.95 120.42 1cwu s ARG 20 Ca 0.34 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 1cwu s ARG 20 Cb -0.10 -1.39 -0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1cwu s ARG 20 CO 0.27 0.37 -0.18 0.00 -0.81 0.00 0.00 175.30 174.95 1cwu s ALA 21 N -0.55 1.53 -0.27 6.12 0.00 0.16 -0.53 121.76 128.21 1cwu s ALA 21 Ca 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1cwu s ALA 21 Cb -0.07 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1cwu s ALA 21 CO 0.00 0.37 0.03 0.12 0.00 0.00 0.00 175.76 176.28 1cwu s PHE 22 N -0.46 3.11 -0.44 0.00 2.19 -0.39 -0.17 117.98 121.82 1cwu s PHE 22 Ca 0.07 -1.14 -0.10 0.00 0.33 0.00 0.00 56.93 56.09 1cwu s PHE 22 Cb -0.07 -2.18 0.10 0.00 -1.31 0.00 0.00 43.02 39.55 1cwu s PHE 22 CO -0.01 -0.62 0.31 0.42 1.83 0.00 0.00 175.22 177.15 1cwu s ILE 23 N 1.45 4.30 -0.62 3.12 1.01 0.67 -1.09 121.20 130.04 1cwu s ILE 23 Ca 0.02 -1.53 -0.24 0.00 0.00 0.00 0.00 60.65 58.90 1cwu s ILE 23 Cb -0.17 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.65 1cwu s ILE 23 CO -0.00 -0.62 0.97 0.00 0.00 0.00 0.00 174.94 175.29 1cwu s ALA 24 N 1.42 3.11 0.00 9.38 0.00 0.19 0.89 121.76 136.74 1cwu s ALA 24 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1cwu s ALA 24 Cb -0.24 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.04 1cwu s ALA 24 CO 0.01 -2.64 0.00 0.41 0.00 0.00 0.00 175.76 173.54 1cwu n GLY 25 N 5.24 0.07 3.48 0.00 0.00 -0.01 -1.17 105.19 112.81 1cwu n GLY 25 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1cwu n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwu s ILE 26 N -0.08 2.99 0.00 -0.61 1.01 -1.22 -4.63 121.20 118.67 1cwu s ILE 26 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1cwu s ILE 26 Cb 0.00 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1cwu s ILE 26 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.37 1cwu n ALA 27 N 1.79 0.00 -3.80 9.38 0.00 -1.26 -4.49 120.51 122.13 1cwu n ALA 27 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1cwu n ALA 27 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 1cwu n ALA 27 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1cwu s ASP 28 N 0.00 -0.11 -0.07 0.00 1.47 -1.26 -4.58 116.67 112.13 1cwu s ASP 28 Ca 0.00 -0.56 0.07 0.00 1.18 0.00 0.00 52.55 53.24 1cwu s ASP 28 Cb 0.00 0.53 0.31 0.00 -0.34 0.00 0.00 42.92 43.42 1cwu s ASP 28 CO 0.00 -1.01 1.07 -0.90 0.68 0.00 0.00 175.17 175.01 1cwu n ASP 29 N -0.78 2.53 -0.05 2.11 5.75 -1.26 -4.40 116.55 120.45 1cwu n ASP 29 Ca -0.05 -2.27 0.11 0.00 -0.01 0.00 0.00 54.79 52.57 1cwu n ASP 29 Cb 0.60 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1cwu n ASP 29 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1cwu n ASN 30 N 0.29 0.99 -0.41 -1.12 3.02 -1.26 -4.90 115.26 111.87 1cwu n ASN 30 Ca 0.11 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1cwu n ASN 30 Cb 0.52 0.79 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1cwu n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwu n GLY 31 N 1.49 4.88 0.12 7.41 0.00 -1.26 -4.19 105.19 113.64 1cwu n GLY 31 Ca 0.05 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 1cwu n GLY 31 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cwu h TYR 32 N 0.12 0.46 -0.79 1.61 0.05 -1.93 -3.21 116.97 113.27 1cwu h TYR 32 Ca 0.00 -0.29 0.03 0.00 0.05 0.00 0.00 58.73 58.52 1cwu h TYR 32 Cb 0.00 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 1cwu h TYR 32 CO 0.00 1.15 0.51 0.78 -1.05 0.00 0.00 178.16 179.55 1cwu h GLY 33 N 1.61 1.14 0.99 3.88 0.00 -1.87 1.90 103.07 110.72 1cwu h GLY 33 Ca -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1cwu h GLY 33 CO 0.17 0.34 0.00 -0.25 0.00 0.00 0.00 176.54 176.80 1cwu h TRP 34 N 1.00 0.01 -0.77 5.60 2.91 -1.82 0.12 115.95 122.99 1cwu h TRP 34 Ca 0.31 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.37 1cwu h TRP 34 Cb -0.01 -0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.59 1cwu h TRP 34 CO -0.03 0.02 0.49 0.00 -1.03 0.00 0.00 178.44 177.89 1cwu h ALA 35 N 0.99 1.02 -0.56 2.65 0.00 -1.07 0.21 119.26 122.50 1cwu h ALA 35 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1cwu h ALA 35 Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1cwu h ALA 35 CO -0.00 0.29 0.23 0.28 0.00 0.00 0.00 179.25 180.04 1cwu h VAL 36 N 0.95 1.20 -0.41 0.00 2.07 0.34 -2.39 116.25 118.01 1cwu h VAL 36 Ca 0.31 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1cwu h VAL 36 Cb 0.03 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1cwu h VAL 36 CO -0.12 0.25 0.03 0.00 0.02 0.00 0.00 177.57 177.76 1cwu h ALA 37 N 1.45 0.55 -0.88 1.67 0.00 0.20 -0.50 119.26 121.76 1cwu h ALA 37 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1cwu h ALA 37 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1cwu h ALA 37 CO -0.02 0.30 0.45 0.87 0.00 0.00 0.00 179.25 180.85 1cwu h LYS 38 N 0.55 1.25 0.24 0.00 1.57 -0.66 0.27 116.57 119.79 1cwu h LYS 38 Ca 0.12 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1cwu h LYS 38 Cb 0.43 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1cwu h LYS 38 CO 0.01 0.94 -0.12 0.77 -0.57 0.00 0.00 179.45 180.49 1cwu h SER 39 N 1.24 -0.28 -0.49 0.86 0.02 -1.10 1.39 113.55 115.21 1cwu h SER 39 Ca 0.31 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1cwu h SER 39 Cb 0.08 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1cwu h SER 39 CO -0.04 -0.07 0.31 -0.07 -1.14 0.00 0.00 176.83 175.81 1cwu h LEU 40 N -0.47 0.58 0.30 5.07 3.38 -0.93 0.10 115.31 123.35 1cwu h LEU 40 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1cwu h LEU 40 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1cwu h LEU 40 CO 0.05 0.44 -0.15 0.00 0.09 0.00 0.00 178.44 178.87 1cwu h ALA 41 N 1.67 -0.41 -0.82 1.53 0.00 0.07 -0.22 119.26 121.07 1cwu h ALA 41 Ca 0.18 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1cwu h ALA 41 Cb -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1cwu h ALA 41 CO -0.04 -0.57 0.59 0.00 0.00 0.00 0.00 179.25 179.23 1cwu h ALA 42 N -0.16 2.72 -0.00 0.00 0.00 0.25 0.49 119.26 122.56 1cwu h ALA 42 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cwu h ALA 42 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cwu h ALA 42 CO 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 179.25 178.34 1cwu n ALA 43 N -2.68 2.66 -0.03 0.00 0.00 -0.04 -4.90 120.51 115.52 1cwu n ALA 43 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1cwu n ALA 43 Cb 0.87 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1cwu n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cwu n GLY 44 N 1.11 0.58 3.80 0.00 0.00 0.17 0.13 105.19 110.99 1cwu n GLY 44 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1cwu n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwu s ALA 45 N -2.05 2.75 -0.20 4.61 0.00 -0.12 -3.79 121.76 122.96 1cwu s ALA 45 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 1cwu s ALA 45 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1cwu s ALA 45 CO 0.00 -0.79 0.50 -2.00 0.00 0.00 0.00 175.76 173.47 1cwu s GLU 46 N -4.08 4.19 -0.14 0.00 2.12 0.53 -4.42 118.70 116.89 1cwu s GLU 46 Ca 0.63 0.38 -0.21 0.00 0.36 0.00 0.00 54.97 56.13 1cwu s GLU 46 Cb -0.16 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1cwu s GLU 46 CO 0.37 -0.13 0.63 0.42 -0.54 0.00 0.00 175.26 176.01 1cwu s ILE 47 N 1.58 5.06 -0.19 -3.70 -1.09 -1.26 0.36 121.20 121.96 1cwu s ILE 47 Ca 0.23 1.24 0.01 0.00 -2.23 0.00 0.00 60.65 59.90 1cwu s ILE 47 Cb -0.15 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1cwu s ILE 47 CO 0.09 0.20 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.12 1cwu s LEU 48 N 1.29 2.20 0.03 2.97 1.43 0.77 0.56 118.68 127.92 1cwu s LEU 48 Ca 0.31 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1cwu s LEU 48 Cb -0.16 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 1cwu s LEU 48 CO 0.13 -0.11 0.39 -0.69 0.23 0.00 0.00 176.35 176.30 1cwu s VAL 49 N 1.38 5.08 -0.39 -1.59 1.01 -0.06 -0.24 120.40 125.59 1cwu s VAL 49 Ca 0.01 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1cwu s VAL 49 Cb -0.15 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1cwu s VAL 49 CO -0.09 0.47 0.21 -0.83 0.00 0.00 0.00 175.10 174.86 1cwu s GLY 50 N -1.34 1.93 -0.15 4.51 0.00 0.26 -0.76 107.32 111.76 1cwu s GLY 50 Ca 0.27 -1.98 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 1cwu s GLY 50 CO 0.15 0.90 0.00 -1.59 0.00 0.00 0.00 173.10 172.56 1cwu s THR 51 N 1.44 4.26 -0.12 0.90 2.01 0.41 -0.83 115.64 123.71 1cwu s THR 51 Ca 0.02 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 1cwu s THR 51 Cb -0.21 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 1cwu s THR 51 CO 0.03 0.50 2.05 0.86 -0.69 0.00 0.00 174.62 177.37 1cwu s TRP 52 N 0.16 1.32 0.11 4.92 -0.00 -1.25 0.66 118.94 124.86 1cwu s TRP 52 Ca 0.01 0.15 -0.11 0.00 -0.00 0.00 0.00 56.10 56.14 1cwu s TRP 52 Cb -0.13 -4.06 0.07 0.00 -0.00 0.00 0.00 33.47 29.34 1cwu s TRP 52 CO 0.02 -4.53 0.79 1.55 -0.00 0.00 0.00 176.95 174.78 1cwu n VAL 53 N 6.75 -0.30 -0.35 5.86 3.14 -0.95 -1.14 118.33 131.34 1cwu n VAL 53 Ca 0.25 1.21 0.26 0.00 -2.96 0.00 0.00 64.34 63.10 1cwu n VAL 53 Cb 0.44 -1.56 0.54 0.00 -1.06 0.00 0.00 33.84 32.19 1cwu n VAL 53 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1cwu h PRO 54 N 0.00 0.31 0.00 1.45 0.11 -1.90 0.23 132.00 132.20 1cwu h PRO 54 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1cwu h PRO 54 Cb 0.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1cwu h PRO 54 CO -0.50 0.21 -1.23 0.00 -0.21 0.00 0.00 178.00 176.27 1cwu n ALA 55 N -2.48 3.06 -0.19 -0.75 0.00 -0.29 -4.50 120.51 115.36 1cwu n ALA 55 Ca 0.28 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cwu n ALA 55 Cb 1.00 -0.96 0.10 0.00 0.00 0.00 0.00 19.45 19.60 1cwu n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cwu h LEU 56 N 0.00 -0.04 0.57 0.00 5.85 -0.32 -0.52 115.31 120.85 1cwu h LEU 56 Ca 0.00 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1cwu h LEU 56 Cb 0.86 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1cwu h LEU 56 CO 0.00 -0.01 -0.35 -1.13 -0.34 0.00 0.00 178.44 176.61 1cwu h ASN 57 N 0.23 -0.87 -0.73 1.25 -0.00 -1.79 -0.41 115.58 113.26 1cwu h ASN 57 Ca 0.31 0.05 -0.05 0.00 -0.00 0.00 0.00 56.30 56.61 1cwu h ASN 57 Cb 0.46 0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 39.01 1cwu h ASN 57 CO -0.41 -0.55 0.25 0.40 -0.00 0.00 0.00 177.43 177.12 1cwu h ILE 58 N -0.87 1.26 0.16 2.57 1.08 -1.83 -1.52 117.51 118.36 1cwu h ILE 58 Ca -0.07 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1cwu h ILE 58 Cb 0.71 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1cwu h ILE 58 CO 0.07 0.34 -0.12 0.15 -0.69 0.00 0.00 178.15 177.90 1cwu h PHE 59 N 1.09 -0.31 -0.47 1.37 3.57 -0.98 0.19 116.94 121.40 1cwu h PHE 59 Ca 0.24 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1cwu h PHE 59 Cb 0.27 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1cwu h PHE 59 CO 0.02 -0.19 0.23 0.93 -2.23 0.00 0.00 178.31 177.08 1cwu h GLU 60 N -0.29 0.45 -0.02 1.11 5.08 -0.93 0.34 114.58 120.31 1cwu h GLU 60 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1cwu h GLU 60 Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1cwu h GLU 60 CO -0.00 0.29 -0.03 1.15 -1.00 0.00 0.00 179.01 179.42 1cwu h THR 61 N 0.46 0.90 -0.24 1.13 2.02 -1.05 0.36 112.91 116.49 1cwu h THR 61 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1cwu h THR 61 Cb 0.11 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1cwu h THR 61 CO -0.15 0.00 0.13 0.28 0.37 0.00 0.00 175.52 176.15 1cwu h SER 62 N -0.05 0.31 0.59 4.18 0.02 -0.30 -0.84 113.55 117.47 1cwu h SER 62 Ca 0.02 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1cwu h SER 62 Cb 0.08 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1cwu h SER 62 CO -0.05 0.32 -0.47 0.25 -1.14 0.00 0.00 176.83 175.73 1cwu h LEU 63 N 0.27 -1.25 -0.87 5.07 5.85 -0.01 0.45 115.31 124.83 1cwu h LEU 63 Ca 0.08 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1cwu h LEU 63 Cb 0.08 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1cwu h LEU 63 CO -0.01 -0.67 0.53 0.03 -0.34 0.00 0.00 178.44 177.98 1cwu h ARG 64 N -1.04 0.90 0.00 1.25 -0.00 -0.23 -1.15 114.38 114.12 1cwu h ARG 64 Ca -0.07 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1cwu h ARG 64 Cb 0.87 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 30.64 1cwu h ARG 64 CO 0.01 0.60 0.00 0.07 0.00 0.00 0.00 179.97 180.64 1cwu h ARG 65 N 0.93 0.00 0.00 0.04 0.11 -1.04 -3.47 114.38 110.95 1cwu h ARG 65 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1cwu h ARG 65 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1cwu h ARG 65 CO -0.20 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.28 1cwu n GLY 66 N 0.67 1.61 0.22 0.08 0.00 -0.40 -5.00 105.19 102.39 1cwu n GLY 66 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1cwu n GLY 66 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cwu h LYS 67 N 0.00 0.00 -0.51 1.61 3.64 -0.35 -2.85 116.57 118.11 1cwu h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cwu h LYS 67 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1cwu h LYS 67 CO 0.00 0.20 0.00 1.19 -2.27 0.00 0.00 179.45 178.57 1cwu n PHE 68 N -4.22 1.48 -0.12 1.91 3.72 -1.26 -4.74 117.46 114.24 1cwu n PHE 68 Ca -0.02 -0.70 -0.06 0.00 -0.05 0.00 0.00 57.45 56.61 1cwu n PHE 68 Cb 0.27 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.49 1cwu n PHE 68 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1cwu h ASP 69 N 3.38 0.24 -0.31 4.37 5.19 -1.84 0.19 116.42 127.63 1cwu h ASP 69 Ca 0.00 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1cwu h ASP 69 Cb 1.57 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 1cwu h ASP 69 CO 0.30 0.18 0.16 1.56 -3.12 0.00 0.00 179.24 178.31 1cwu h GLN 70 N 0.36 0.45 0.00 3.56 1.08 -1.86 0.83 115.11 119.53 1cwu h GLN 70 Ca 0.17 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1cwu h GLN 70 Cb 0.10 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1cwu h GLN 70 CO -0.14 0.40 0.00 0.43 -0.95 0.00 0.00 178.83 178.58 1cwu n SER 71 N -4.78 0.18 -0.17 1.46 7.64 -0.72 -0.10 113.62 117.13 1cwu n SER 71 Ca -0.01 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.57 1cwu n SER 71 Cb 0.09 -0.61 0.30 0.00 -1.01 0.00 0.00 64.21 62.98 1cwu n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1cwu n ARG 72 N -1.75 0.57 -2.28 1.43 1.74 0.58 -4.89 116.66 112.07 1cwu n ARG 72 Ca -0.00 -0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 56.30 1cwu n ARG 72 Cb 0.02 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 1cwu n ARG 72 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cwu s VAL 73 N -2.67 3.92 0.83 1.55 1.01 0.85 0.16 120.40 126.05 1cwu s VAL 73 Ca 0.19 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1cwu s VAL 73 Cb 0.18 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1cwu s VAL 73 CO 0.59 -0.43 1.13 -0.76 0.00 0.00 0.00 175.10 175.63 1cwu s LEU 74 N 4.89 2.39 0.36 3.92 1.43 0.58 -4.88 118.68 127.39 1cwu s LEU 74 Ca 0.64 1.07 0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1cwu s LEU 74 Cb -0.20 -3.58 0.94 0.00 0.03 0.00 0.00 46.19 43.38 1cwu s LEU 74 CO 0.27 -2.11 1.80 -0.65 0.23 0.00 0.00 176.35 175.89 1cwu h PRO 75 N -1.19 0.54 0.00 1.29 0.11 -1.94 0.76 132.00 131.58 1cwu h PRO 75 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1cwu h PRO 75 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1cwu h PRO 75 CO 0.62 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1cwu n ASP 76 N -4.65 0.37 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.86 1cwu n ASP 76 Ca 0.22 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.58 1cwu n ASP 76 Cb 0.69 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1cwu n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cwu n GLY 77 N 0.25 0.44 3.86 6.12 0.00 0.26 -5.06 105.19 111.07 1cwu n GLY 77 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1cwu n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwu s SER 78 N -1.88 6.32 -0.06 1.61 1.04 -1.26 -4.68 113.70 114.80 1cwu s SER 78 Ca 0.00 1.44 -0.10 0.00 0.48 0.00 0.00 55.95 57.76 1cwu s SER 78 Cb 0.00 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.60 1cwu s SER 78 CO 0.00 -0.80 0.27 -0.76 0.98 0.00 0.00 173.24 172.93 1cwu s LEU 79 N -4.92 4.43 0.32 2.42 1.43 -1.26 0.22 118.68 121.32 1cwu s LEU 79 Ca 0.56 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 1cwu s LEU 79 Cb -0.11 -2.34 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 1cwu s LEU 79 CO 0.49 0.36 1.33 -0.32 0.23 0.00 0.00 176.35 178.44 1cwu s MET 80 N -1.10 4.33 -0.12 1.70 -2.45 0.43 -4.86 119.30 117.23 1cwu s MET 80 Ca 0.20 2.25 -0.00 0.00 -1.25 0.00 0.00 55.69 56.88 1cwu s MET 80 Cb -0.14 -3.07 -0.02 0.00 1.25 0.00 0.00 34.83 32.85 1cwu s MET 80 CO 0.09 -0.24 -0.10 -1.83 1.05 0.00 0.00 175.02 173.99 1cwu s GLU 81 N -1.64 3.26 -0.57 4.11 1.03 -1.26 -4.96 118.70 118.67 1cwu s GLU 81 Ca 0.50 -0.63 -0.14 0.00 0.03 0.00 0.00 54.97 54.74 1cwu s GLU 81 Cb -0.40 -2.67 0.14 0.00 -0.80 0.00 0.00 34.13 30.40 1cwu s GLU 81 CO 0.52 0.33 0.51 0.42 -1.33 0.00 0.00 175.26 175.72 1cwu s ILE 82 N 0.06 5.06 0.20 1.83 1.01 -1.26 -4.40 121.20 123.70 1cwu s ILE 82 Ca -0.03 -1.73 -0.19 0.00 0.00 0.00 0.00 60.65 58.70 1cwu s ILE 82 Cb -0.14 -4.24 0.16 0.00 0.01 0.00 0.00 42.46 38.25 1cwu s ILE 82 CO 0.04 -0.88 1.44 1.17 0.00 0.00 0.00 174.94 176.71 1cwu n LYS 83 N 4.96 -0.26 -3.57 2.79 3.00 0.19 -4.75 118.16 120.53 1cwu n LYS 83 Ca -0.08 1.43 -0.17 0.00 -0.00 0.00 0.00 58.31 59.48 1cwu n LYS 83 Cb 0.41 -2.11 -0.07 0.00 0.00 0.00 0.00 35.03 33.27 1cwu n LYS 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1cwu s LYS 84 N -5.79 0.98 -0.20 1.64 2.20 -1.17 -5.02 119.74 112.38 1cwu s LYS 84 Ca -0.12 0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 1cwu s LYS 84 Cb 0.17 0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 36.94 1cwu s LYS 84 CO 0.65 -0.30 -0.03 0.08 -0.36 0.00 0.00 175.35 175.38 1cwu s VAL 85 N -1.20 3.61 -0.05 4.02 1.01 -1.26 -0.89 120.40 125.63 1cwu s VAL 85 Ca -0.11 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1cwu s VAL 85 Cb -0.01 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1cwu s VAL 85 CO 0.09 0.44 -0.04 -0.31 0.00 0.00 0.00 175.10 175.28 1cwu s TYR 86 N 1.08 3.01 0.47 5.22 1.51 0.06 -4.97 117.35 123.73 1cwu s TYR 86 Ca 0.01 0.07 -0.19 0.00 -1.01 0.00 0.00 57.07 55.95 1cwu s TYR 86 Cb -0.15 -1.71 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 1cwu s TYR 86 CO 0.00 0.39 0.98 -1.25 -1.11 0.00 0.00 175.55 174.56 1cwu s PRO 87 N -1.02 4.04 -0.06 -1.71 0.04 -1.26 -0.44 135.00 134.58 1cwu s PRO 87 Ca 0.14 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1cwu s PRO 87 Cb -0.11 -2.15 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1cwu s PRO 87 CO 0.04 -0.20 0.72 -1.17 0.04 0.00 0.00 177.00 176.43 1cwu s LEU 88 N -3.58 -0.61 -0.24 -3.56 2.96 0.21 -4.48 118.68 109.38 1cwu s LEU 88 Ca 0.62 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 1cwu s LEU 88 Cb -0.11 2.44 0.08 0.00 0.50 0.00 0.00 46.19 49.11 1cwu s LEU 88 CO 0.21 -0.58 0.09 -0.62 -1.32 0.00 0.00 176.35 174.13 1cwu s ASP 89 N -1.24 3.11 0.00 3.68 -1.08 0.17 -2.25 116.67 119.06 1cwu s ASP 89 Ca -0.09 -1.03 0.13 0.00 -0.52 0.00 0.00 52.55 51.04 1cwu s ASP 89 Cb -0.00 -0.44 0.77 0.00 -1.46 0.00 0.00 42.92 41.80 1cwu s ASP 89 CO 0.08 -0.38 1.22 0.00 0.52 0.00 0.00 175.17 176.61 1cwu n ALA 90 N 5.16 2.15 0.38 3.66 0.00 -1.26 -1.92 120.51 128.68 1cwu n ALA 90 Ca -0.06 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1cwu n ALA 90 Cb 0.45 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.77 1cwu n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cwu h VAL 91 N 0.00 0.00 -3.32 0.00 2.07 -1.91 -3.39 116.25 109.71 1cwu h VAL 91 Ca 0.00 -0.70 -0.66 0.00 0.82 0.00 0.00 66.70 66.16 1cwu h VAL 91 Cb 0.00 1.20 -0.29 0.00 -1.52 0.00 0.00 31.29 30.68 1cwu h VAL 91 CO 0.00 0.00 -0.76 -0.36 0.02 0.00 0.00 177.57 176.47 1cwu s PHE 92 N -3.25 2.90 -0.10 1.57 0.08 -0.81 -5.01 117.98 113.35 1cwu s PHE 92 Ca 0.03 -1.04 -0.11 0.00 0.12 0.00 0.00 56.93 55.94 1cwu s PHE 92 Cb 0.12 -2.03 -0.27 0.00 -0.57 0.00 0.00 43.02 40.27 1cwu s PHE 92 CO 0.76 -0.55 0.47 -0.44 -0.10 0.00 0.00 175.22 175.36 1cwu h ASP 93 N 7.87 0.44 -5.23 1.36 3.32 -1.87 0.29 116.42 122.60 1cwu h ASP 93 Ca -0.40 -0.90 -0.11 0.00 0.02 0.00 0.00 57.03 55.63 1cwu h ASP 93 Cb 1.16 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 1cwu h ASP 93 CO 0.60 1.78 -0.52 0.54 -1.72 0.00 0.00 179.24 179.93 1cwu s ASN 94 N -7.10 0.27 0.23 6.45 4.22 -1.26 -0.20 114.94 117.55 1cwu s ASN 94 Ca -0.21 -0.87 -0.07 0.00 -2.14 0.00 0.00 52.86 49.57 1cwu s ASN 94 Cb 0.06 0.29 0.38 0.00 1.28 0.00 0.00 41.25 43.26 1cwu s ASN 94 CO 0.78 -0.70 1.72 1.55 -2.04 0.00 0.00 177.10 178.42 1cwu h PRO 95 N 2.89 0.37 0.00 3.55 0.14 -1.96 0.15 132.00 137.14 1cwu h PRO 95 Ca -0.34 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.78 1cwu h PRO 95 Cb 1.18 -0.08 0.00 0.00 0.14 0.00 0.00 31.00 32.24 1cwu h PRO 95 CO 0.59 0.25 0.00 -0.85 0.14 0.00 0.00 178.00 178.13 1cwu n GLU 96 N -5.04 0.02 0.01 0.86 0.00 -1.26 -2.12 120.64 113.11 1cwu n GLU 96 Ca 0.12 0.21 0.01 0.00 0.00 0.00 0.00 57.16 57.49 1cwu n GLU 96 Cb 0.36 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.20 1cwu n GLU 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1cwu n ASP 97 N -1.21 0.60 -4.76 -1.84 8.00 0.51 -4.94 116.55 112.90 1cwu n ASP 97 Ca 0.00 0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.36 1cwu n ASP 97 Cb 0.01 0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.65 1cwu n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cwu s VAL 98 N -2.98 3.57 0.23 2.53 1.01 -0.90 -5.01 120.40 118.85 1cwu s VAL 98 Ca -0.05 1.55 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 1cwu s VAL 98 Cb 0.09 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1cwu s VAL 98 CO 0.83 0.36 0.87 -2.16 0.00 0.00 0.00 175.10 175.00 1cwu s PRO 99 N -1.30 4.65 0.32 2.72 0.04 -1.26 -4.88 135.00 135.30 1cwu s PRO 99 Ca 0.45 1.29 0.10 0.00 0.04 0.00 0.00 61.00 62.88 1cwu s PRO 99 Cb -0.31 -3.13 0.91 0.00 0.04 0.00 0.00 34.50 32.01 1cwu s PRO 99 CO 0.40 0.47 1.69 1.05 0.04 0.00 0.00 177.00 180.65 1cwu h GLU 100 N 3.92 0.41 -0.25 4.56 9.09 -1.98 1.34 114.58 131.68 1cwu h GLU 100 Ca -0.46 -0.02 0.02 0.00 0.05 0.00 0.00 59.36 58.94 1cwu h GLU 100 Cb 1.20 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 1cwu h GLU 100 CO 0.66 0.27 0.10 0.38 0.05 0.00 0.00 179.01 180.47 1cwu h ASP 101 N 0.43 0.12 -0.26 3.06 -0.00 -1.98 0.40 116.42 118.19 1cwu h ASP 101 Ca 0.65 0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.70 1cwu h ASP 101 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.66 1cwu h ASP 101 CO -0.55 0.10 0.13 -0.37 -0.00 0.00 0.00 179.24 178.55 1cwu h VAL 102 N 0.22 1.14 -0.23 4.15 -1.51 0.12 0.32 116.25 120.45 1cwu h VAL 102 Ca 0.11 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1cwu h VAL 102 Cb 0.06 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 1cwu h VAL 102 CO -0.10 0.14 0.13 0.11 -1.23 0.00 0.00 177.57 176.62 1cwu h LYS 103 N 0.29 0.31 -0.86 5.19 1.79 -0.35 -2.56 116.57 120.39 1cwu h LYS 103 Ca 0.09 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1cwu h LYS 103 Cb 0.10 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1cwu h LYS 103 CO -0.01 0.26 0.42 0.00 -1.08 0.00 0.00 179.45 179.04 1cwu h ALA 104 N 1.03 1.10 -0.64 3.86 0.00 -0.02 -3.34 119.26 121.25 1cwu h ALA 104 Ca 0.08 -0.16 -0.80 0.00 0.00 0.00 0.00 54.91 54.04 1cwu h ALA 104 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1cwu h ALA 104 CO -0.01 0.66 0.84 -1.71 0.00 0.00 0.00 179.25 179.02 1cwu n ASN 105 N -4.32 1.00 0.00 0.00 5.15 0.11 -4.67 115.26 112.54 1cwu n ASN 105 Ca 0.09 0.97 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 1cwu n ASN 105 Cb 0.13 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 1cwu n ASN 105 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1cwu n LYS 106 N 4.82 0.00 -0.31 1.20 2.85 -1.26 -2.53 118.16 122.93 1cwu n LYS 106 Ca 0.36 0.66 0.16 0.00 -1.05 0.00 0.00 58.31 58.44 1cwu n LYS 106 Cb -0.05 -1.02 0.34 0.00 -0.65 0.00 0.00 35.03 33.64 1cwu n LYS 106 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 1cwu h ARG 107 N 0.00 0.19 -0.92 -1.58 -0.00 -1.93 0.42 114.38 110.55 1cwu h ARG 107 Ca 0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 59.98 60.14 1cwu h ARG 107 Cb 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 29.97 29.83 1cwu h ARG 107 CO 0.00 0.13 0.51 1.88 -0.00 0.00 0.00 179.97 182.49 1cwu h TYR 108 N 0.20 0.90 -0.59 4.08 -1.99 -1.78 0.06 116.97 117.86 1cwu h TYR 108 Ca 0.60 0.03 0.12 0.00 2.00 0.00 0.00 58.73 61.48 1cwu h TYR 108 Cb 1.28 -0.26 -0.09 0.00 2.00 0.00 0.00 36.73 39.66 1cwu h TYR 108 CO -0.23 0.20 0.05 0.00 -0.00 0.00 0.00 178.16 178.17 1cwu h ALA 109 N 1.61 0.62 0.00 3.88 0.00 -0.21 -2.85 119.26 122.30 1cwu h ALA 109 Ca 0.52 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1cwu h ALA 109 Cb 0.78 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1cwu h ALA 109 CO -0.38 -0.36 0.11 0.78 0.00 0.00 0.00 179.25 179.39 1cwu h GLY 110 N 0.17 0.00 -2.96 0.00 0.00 -1.03 -3.43 103.07 95.81 1cwu h GLY 110 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.47 1cwu h GLY 110 CO -0.46 0.00 -0.62 -1.35 0.00 0.00 0.00 176.54 174.11 1cwu s SER 111 N -4.49 0.32 0.34 0.19 1.04 -1.08 -5.15 113.70 104.87 1cwu s SER 111 Ca -0.04 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.25 1cwu s SER 111 Cb 0.09 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1cwu s SER 111 CO 0.29 -0.72 0.45 -0.94 0.98 0.00 0.00 173.24 173.30 1cwu s SER 112 N -3.01 0.94 -1.32 7.02 1.04 -1.26 -4.84 113.70 112.27 1cwu s SER 112 Ca 0.20 -1.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.11 1cwu s SER 112 Cb 0.07 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1cwu s SER 112 CO -0.01 -1.26 0.24 0.59 0.98 0.00 0.00 173.24 173.78 1cwu n ASN 113 N -1.36 -5.03 -0.55 7.02 3.02 -1.26 -4.89 115.26 112.21 1cwu n ASN 113 Ca 0.02 -0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1cwu n ASN 113 Cb 0.62 -4.01 0.17 0.00 -0.61 0.00 0.00 39.78 35.95 1cwu n ASN 113 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1cwu n TRP 114 N -4.13 0.00 -1.16 3.10 4.27 -1.26 -2.98 117.44 115.27 1cwu n TRP 114 Ca -0.14 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.16 1cwu n TRP 114 Cb 0.62 -0.03 0.12 0.00 -1.36 0.00 0.00 31.31 30.66 1cwu n TRP 114 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1cwu s THR 115 N -2.31 2.98 0.19 -1.67 -4.23 -1.26 -0.66 115.64 108.68 1cwu s THR 115 Ca 0.24 0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.95 1cwu s THR 115 Cb 0.19 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.38 1cwu s THR 115 CO 0.47 -0.42 1.82 0.58 -0.54 0.00 0.00 174.62 176.53 1cwu h VAL 116 N -1.35 1.04 -0.66 2.29 2.07 -0.93 0.85 116.25 119.55 1cwu h VAL 116 Ca -0.45 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1cwu h VAL 116 Cb 1.25 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1cwu h VAL 116 CO 0.51 0.12 0.31 -0.61 0.02 0.00 0.00 177.57 177.92 1cwu h GLN 117 N 0.65 0.96 -0.08 1.57 4.15 -0.83 -0.62 115.11 120.91 1cwu h GLN 117 Ca 0.23 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1cwu h GLN 117 Cb 0.05 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1cwu h GLN 117 CO -0.11 0.77 0.00 0.93 -1.93 0.00 0.00 178.83 178.49 1cwu h GLU 118 N 0.92 0.14 -0.21 1.69 5.08 -1.65 -1.84 114.58 118.70 1cwu h GLU 118 Ca 0.23 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1cwu h GLU 118 Cb 0.14 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1cwu h GLU 118 CO -0.03 0.39 -0.25 0.00 -1.00 0.00 0.00 179.01 178.12 1cwu h ALA 119 N 0.74 -0.17 -0.86 3.43 0.00 -0.67 0.16 119.26 121.90 1cwu h ALA 119 Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1cwu h ALA 119 Cb 0.32 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1cwu h ALA 119 CO 0.00 -0.68 0.56 0.00 0.00 0.00 0.00 179.25 179.13 1cwu h ALA 120 N 0.74 1.56 -0.26 0.00 0.00 -1.03 -1.52 119.26 118.74 1cwu h ALA 120 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cwu h ALA 120 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1cwu h ALA 120 CO -0.37 0.31 0.11 1.49 0.00 0.00 0.00 179.25 180.79 1cwu h GLU 121 N 0.96 0.39 -0.76 0.00 4.57 0.09 0.10 114.58 119.93 1cwu h GLU 121 Ca 0.37 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.56 1cwu h GLU 121 Cb 0.22 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 1cwu h GLU 121 CO -0.14 0.42 0.44 0.00 -1.18 0.00 0.00 179.01 178.55 1cwu h VAL 123 N 0.77 1.16 0.26 0.00 2.07 -0.87 0.63 116.25 120.27 1cwu h VAL 123 Ca 0.35 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1cwu h VAL 123 Cb 0.26 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1cwu h VAL 123 CO -0.21 0.17 -0.46 -0.09 0.02 0.00 0.00 177.57 176.99 1cwu h ARG 124 N 0.32 -0.77 -0.60 1.57 2.43 0.02 0.37 114.38 117.72 1cwu h ARG 124 Ca 0.10 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1cwu h ARG 124 Cb 0.15 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1cwu h ARG 124 CO -0.01 -0.51 0.28 1.96 -1.51 0.00 0.00 179.97 180.18 1cwu h GLN 125 N -0.79 0.51 0.07 0.20 4.20 -0.79 1.10 115.11 119.61 1cwu h GLN 125 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1cwu h GLN 125 Cb 0.76 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1cwu h GLN 125 CO -0.18 0.34 -0.03 -0.44 -0.67 0.00 0.00 178.83 177.84 1cwu h ASP 126 N 0.52 -0.08 0.00 1.46 5.19 0.11 -3.39 116.42 120.23 1cwu h ASP 126 Ca 0.28 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1cwu h ASP 126 Cb 0.25 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1cwu h ASP 126 CO -0.22 0.10 0.00 0.49 -3.12 0.00 0.00 179.24 176.49 1cwu n PHE 127 N -5.05 0.00 0.00 4.55 3.72 0.12 -5.04 117.46 115.76 1cwu n PHE 127 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1cwu n PHE 127 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1cwu n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cwu n GLY 128 N 0.20 2.43 3.61 1.37 0.00 0.38 -4.89 105.19 108.29 1cwu n GLY 128 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1cwu n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwu s SER 129 N -1.43 -0.08 0.14 1.61 1.04 -1.26 -4.88 113.70 108.84 1cwu s SER 129 Ca 0.00 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1cwu s SER 129 Cb 0.00 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1cwu s SER 129 CO 0.00 -0.18 0.06 0.27 0.98 0.00 0.00 173.24 174.37 1cwu s ILE 130 N -2.30 0.09 -0.08 -1.02 -4.36 0.39 -4.86 121.20 109.07 1cwu s ILE 130 Ca 0.11 -1.92 -0.08 0.00 -0.26 0.00 0.00 60.65 58.51 1cwu s ILE 130 Cb 0.01 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1cwu s ILE 130 CO -0.04 -0.43 -0.17 0.47 0.24 0.00 0.00 174.94 175.01 1cwu n ASP 131 N -0.11 1.23 -4.88 4.36 8.00 0.31 -0.66 116.55 124.81 1cwu n ASP 131 Ca -0.05 0.20 -0.36 0.00 0.71 0.00 0.00 54.79 55.29 1cwu n ASP 131 Cb 0.64 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1cwu n ASP 131 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cwu s ILE 132 N -2.34 5.32 -0.08 0.53 1.09 -0.46 -2.19 121.20 123.07 1cwu s ILE 132 Ca -0.16 0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.69 1cwu s ILE 132 Cb 0.04 -3.54 0.02 0.00 -1.06 0.00 0.00 42.46 37.92 1cwu s ILE 132 CO 0.22 0.48 -0.11 -0.22 -0.10 0.00 0.00 174.94 175.21 1cwu s LEU 133 N -1.42 1.51 -0.17 2.97 2.96 -0.36 -1.27 118.68 122.90 1cwu s LEU 133 Ca 0.23 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1cwu s LEU 133 Cb -0.13 -0.82 0.03 0.00 0.50 0.00 0.00 46.19 45.77 1cwu s LEU 133 CO 0.12 -0.01 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.33 1cwu s VAL 134 N 0.96 1.53 -0.10 1.68 1.01 -0.25 -1.51 120.40 123.72 1cwu s VAL 134 Ca -0.09 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 1cwu s VAL 134 Cb -0.15 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1cwu s VAL 134 CO 0.00 0.32 0.30 -2.28 0.00 0.00 0.00 175.10 173.44 1cwu s HIS 135 N 1.48 3.57 -0.38 5.22 2.46 0.08 -0.64 115.29 127.07 1cwu s HIS 135 Ca 0.02 0.71 0.11 0.00 0.47 0.00 0.00 55.06 56.37 1cwu s HIS 135 Cb -0.14 -2.25 0.40 0.00 -0.13 0.00 0.00 32.58 30.46 1cwu s HIS 135 CO -0.09 0.45 1.30 0.45 -2.47 0.00 0.00 174.74 174.38 1cwu n SER 136 N 2.75 -1.28 -3.18 9.88 2.88 -0.31 -3.53 113.62 120.82 1cwu n SER 136 Ca -0.14 -2.48 -0.15 0.00 -1.33 0.00 0.00 58.87 54.77 1cwu n SER 136 Cb 0.53 0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 64.67 1cwu n SER 136 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1cwu s LEU 137 N -3.25 1.06 0.00 2.46 0.05 -1.25 -4.39 118.68 113.36 1cwu s LEU 137 Ca 0.22 -1.52 0.00 0.00 0.05 0.00 0.00 54.13 52.88 1cwu s LEU 137 Cb 0.41 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 46.01 1cwu s LEU 137 CO -0.07 -1.31 0.00 0.61 -0.55 0.00 0.00 176.35 175.03 1cwu n GLY 138 N -0.58 -2.55 3.63 -3.48 0.00 -1.26 -4.77 105.19 96.18 1cwu n GLY 138 Ca 0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 1cwu n GLY 138 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cwu s ASN 139 N -0.06 -0.20 -0.31 1.61 2.47 -1.26 -4.85 114.94 112.34 1cwu s ASN 139 Ca 0.00 0.34 -0.02 0.00 0.42 0.00 0.00 52.86 53.60 1cwu s ASN 139 Cb 0.00 0.32 0.12 0.00 -1.45 0.00 0.00 41.25 40.24 1cwu s ASN 139 CO 0.00 -0.10 0.20 -0.83 -3.72 0.00 0.00 177.10 172.65 1cwu s GLY 140 N -0.27 0.37 0.35 1.21 0.00 -1.26 -3.99 107.32 103.73 1cwu s GLY 140 Ca 0.05 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.83 1cwu s GLY 140 CO -0.09 2.26 1.85 -2.55 0.00 0.00 0.00 173.10 174.57 1cwu h PRO 141 N 8.04 0.67 -0.59 2.90 0.11 -1.90 -1.57 132.00 139.66 1cwu h PRO 141 Ca -0.12 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.70 1cwu h PRO 141 Cb 1.02 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 31.83 1cwu h PRO 141 CO 0.37 0.44 0.19 0.39 -0.21 0.00 0.00 178.00 179.19 1cwu n GLU 142 N -4.59 2.55 -0.17 1.05 1.02 -1.26 -4.71 120.64 114.53 1cwu n GLU 142 Ca 0.19 -3.07 0.24 0.00 -0.02 0.00 0.00 57.16 54.49 1cwu n GLU 142 Cb 0.51 -2.00 0.64 0.00 -0.02 0.00 0.00 31.44 30.56 1cwu n GLU 142 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1cwu h VAL 143 N 1.51 0.63 0.00 2.62 3.04 -1.50 0.30 116.25 122.85 1cwu h VAL 143 Ca 0.30 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1cwu h VAL 143 Cb 2.08 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1cwu h VAL 143 CO 0.62 0.03 0.00 -1.20 -1.01 0.00 0.00 177.57 176.01 1cwu n SER 144 N -4.37 0.00 -4.80 3.17 7.64 -1.26 -0.86 113.62 113.14 1cwu n SER 144 Ca 0.17 -0.11 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1cwu n SER 144 Cb 0.81 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1cwu n SER 144 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1cwu s LYS 145 N -2.45 3.06 0.76 1.43 1.02 0.99 -4.91 119.74 119.63 1cwu s LYS 145 Ca 0.20 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.52 1cwu s LYS 145 Cb 0.13 -2.84 0.05 0.00 -0.52 0.00 0.00 37.83 34.65 1cwu s LYS 145 CO 0.27 0.62 1.13 -2.14 -0.92 0.00 0.00 175.35 174.31 1cwu s PRO 146 N -2.06 2.16 0.29 -1.68 0.02 -1.26 -0.19 135.00 132.27 1cwu s PRO 146 Ca 0.27 1.43 0.04 0.00 0.02 0.00 0.00 61.00 62.75 1cwu s PRO 146 Cb -0.12 -1.87 0.67 0.00 0.02 0.00 0.00 34.50 33.20 1cwu s PRO 146 CO 0.19 -1.75 1.77 -0.07 -0.33 0.00 0.00 177.00 176.81 1cwu h LEU 147 N -0.76 0.72 -0.87 -5.54 3.38 -1.94 -0.69 115.31 109.61 1cwu h LEU 147 Ca -0.45 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1cwu h LEU 147 Cb 1.26 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 1cwu h LEU 147 CO 0.50 0.27 0.56 -0.07 0.09 0.00 0.00 178.44 179.79 1cwu h LEU 148 N 0.74 0.91 -2.18 1.67 3.38 -2.03 -2.07 115.31 115.72 1cwu h LEU 148 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1cwu h LEU 148 Cb 0.81 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1cwu h LEU 148 CO -0.37 0.61 0.00 -0.62 0.09 0.00 0.00 178.44 178.14 1cwu n GLU 149 N -4.56 2.80 -3.64 1.13 1.02 -0.34 -4.91 120.64 112.13 1cwu n GLU 149 Ca 0.12 -1.84 -0.37 0.00 -0.02 0.00 0.00 57.16 55.05 1cwu n GLU 149 Cb 0.12 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 1cwu n GLU 149 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1cwu s THR 150 N -1.76 5.34 0.61 2.62 2.01 -0.74 -4.77 115.64 118.95 1cwu s THR 150 Ca 0.33 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.36 1cwu s THR 150 Cb 0.21 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1cwu s THR 150 CO 0.15 0.32 1.07 -0.94 -0.69 0.00 0.00 174.62 174.53 1cwu s SER 151 N 1.25 5.64 0.19 3.53 1.04 -1.26 -4.84 113.70 119.25 1cwu s SER 151 Ca 0.08 1.85 -0.14 0.00 0.48 0.00 0.00 55.95 58.22 1cwu s SER 151 Cb -0.14 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.62 1cwu s SER 151 CO 0.06 -1.26 1.68 -0.09 0.98 0.00 0.00 173.24 174.61 1cwu h ARG 152 N 0.35 0.09 0.33 4.02 2.43 -1.98 0.36 114.38 119.97 1cwu h ARG 152 Ca -0.47 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1cwu h ARG 152 Cb 1.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1cwu h ARG 152 CO 0.57 0.06 -0.27 0.87 -1.51 0.00 0.00 179.97 179.69 1cwu h LYS 153 N 0.09 -0.59 -0.44 0.20 1.57 -1.98 0.26 116.57 115.69 1cwu h LYS 153 Ca 0.25 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.15 1cwu h LYS 153 Cb 0.37 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1cwu h LYS 153 CO -0.43 -0.39 -0.04 0.78 -0.57 0.00 0.00 179.45 178.80 1cwu h GLY 154 N -0.61 0.39 0.80 3.86 0.00 -1.77 0.61 103.07 106.36 1cwu h GLY 154 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1cwu h GLY 154 CO -0.02 -0.14 0.02 -1.82 0.00 0.00 0.00 176.54 174.59 1cwu h TYR 155 N 0.07 0.03 -0.73 5.60 5.03 -0.57 -0.81 116.97 125.58 1cwu h TYR 155 Ca 0.22 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 1cwu h TYR 155 Cb 0.32 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 1cwu h TYR 155 CO -0.32 0.00 0.27 -0.07 -1.32 0.00 0.00 178.16 176.72 1cwu h LEU 156 N 0.08 1.02 -0.20 2.82 3.38 0.48 -1.73 115.31 121.16 1cwu h LEU 156 Ca 0.07 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1cwu h LEU 156 Cb 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1cwu h LEU 156 CO -0.10 0.92 0.03 0.00 0.09 0.00 0.00 178.44 179.37 1cwu h ALA 157 N 1.22 0.20 -0.60 1.53 0.00 0.10 -0.35 119.26 121.37 1cwu h ALA 157 Ca 0.24 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1cwu h ALA 157 Cb 0.24 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1cwu h ALA 157 CO -0.02 -0.40 0.35 0.00 0.00 0.00 0.00 179.25 179.18 1cwu h ALA 158 N 1.15 0.78 -0.50 0.00 0.00 -0.82 0.12 119.26 119.99 1cwu h ALA 158 Ca 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1cwu h ALA 158 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1cwu h ALA 158 CO -0.13 0.06 -0.03 0.82 0.00 0.00 0.00 179.25 179.97 1cwu h ILE 159 N 0.68 1.25 0.00 0.00 1.08 -0.81 0.15 117.51 119.87 1cwu h ILE 159 Ca 0.25 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1cwu h ILE 159 Cb 0.07 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1cwu h ILE 159 CO -0.12 0.38 -0.00 -1.28 -0.69 0.00 0.00 178.15 176.44 1cwu h SER 160 N 0.79 -0.00 -0.17 1.72 0.87 -0.56 0.41 113.55 116.61 1cwu h SER 160 Ca 0.15 -0.44 -0.21 0.00 -1.23 0.00 0.00 61.79 60.05 1cwu h SER 160 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1cwu h SER 160 CO 0.03 0.44 -0.72 0.00 -0.53 0.00 0.00 176.83 176.04 1cwu h ALA 161 N 0.55 0.36 0.00 6.23 0.00 -0.73 -1.03 119.26 124.64 1cwu h ALA 161 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1cwu h ALA 161 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1cwu h ALA 161 CO 0.00 0.69 -1.20 0.43 0.00 0.00 0.00 179.25 179.16 1cwu n SER 162 N -3.95 0.70 0.06 0.00 7.64 0.51 -4.15 113.62 114.43 1cwu n SER 162 Ca -0.07 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1cwu n SER 162 Cb 0.72 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 1cwu n SER 162 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1cwu n SER 163 N -1.73 0.59 0.28 6.43 2.88 0.11 -4.73 113.62 117.45 1cwu n SER 163 Ca 0.02 0.19 0.15 0.00 -1.33 0.00 0.00 58.87 57.90 1cwu n SER 163 Cb 0.40 -0.10 0.79 0.00 -0.75 0.00 0.00 64.21 64.56 1cwu n SER 163 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1cwu h TYR 164 N 0.00 0.00 -0.98 0.66 3.20 -0.75 -0.66 116.97 118.44 1cwu h TYR 164 Ca 0.00 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.08 1cwu h TYR 164 Cb 0.00 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 1cwu h TYR 164 CO 0.00 0.08 0.62 0.66 -1.64 0.00 0.00 178.16 177.88 1cwu h SER 165 N 0.00 0.61 -0.28 -2.11 4.64 -1.38 0.11 113.55 115.14 1cwu h SER 165 Ca -0.00 0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 1cwu h SER 165 Cb 0.33 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1cwu h SER 165 CO 0.01 0.21 -0.54 0.15 -0.87 0.00 0.00 176.83 175.79 1cwu h PHE 166 N 0.58 1.09 -0.94 4.77 3.57 -1.40 -2.48 116.94 122.13 1cwu h PHE 166 Ca 0.55 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1cwu h PHE 166 Cb 1.10 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1cwu h PHE 166 CO -0.00 1.22 0.57 0.28 -2.23 0.00 0.00 178.31 178.14 1cwu h VAL 167 N 0.67 1.26 0.28 1.41 2.07 -0.89 -0.85 116.25 120.20 1cwu h VAL 167 Ca 0.02 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1cwu h VAL 167 Cb 1.15 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1cwu h VAL 167 CO 0.12 0.27 -0.13 -1.28 0.02 0.00 0.00 177.57 176.57 1cwu h SER 168 N 1.30 -0.31 0.02 0.57 0.87 -1.05 -1.31 113.55 113.63 1cwu h SER 168 Ca 0.34 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1cwu h SER 168 Cb -0.05 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1cwu h SER 168 CO -0.06 0.02 -0.27 0.25 -0.53 0.00 0.00 176.83 176.24 1cwu h LEU 169 N -0.68 -0.80 0.19 2.23 5.85 -1.32 0.36 115.31 121.14 1cwu h LEU 169 Ca -0.04 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1cwu h LEU 169 Cb 0.47 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1cwu h LEU 169 CO 0.06 -0.34 -0.26 0.25 -0.34 0.00 0.00 178.44 177.81 1cwu h LEU 170 N -0.42 -0.72 -0.61 2.25 5.85 -1.21 0.47 115.31 120.92 1cwu h LEU 170 Ca 0.06 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1cwu h LEU 170 Cb 0.50 0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 1cwu h LEU 170 CO -0.22 -0.36 0.12 -1.28 -0.34 0.00 0.00 178.44 176.35 1cwu h SER 171 N -0.51 -0.02 -0.28 1.25 0.87 -0.95 0.86 113.55 114.77 1cwu h SER 171 Ca 0.01 0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 1cwu h SER 171 Cb 0.50 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1cwu h SER 171 CO -0.11 -0.00 -0.51 0.45 -0.53 0.00 0.00 176.83 176.13 1cwu h HIS 172 N 0.25 1.05 0.03 2.24 3.86 0.14 -3.31 115.15 119.41 1cwu h HIS 172 Ca 0.32 -0.37 -0.23 0.00 -1.16 0.00 0.00 60.37 58.93 1cwu h HIS 172 Cb 0.48 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1cwu h HIS 172 CO -0.26 1.19 -1.07 0.74 0.86 0.00 0.00 177.93 179.39 1cwu h PHE 173 N 0.61 0.12 -0.95 2.45 0.04 0.56 -3.38 116.94 116.40 1cwu h PHE 173 Ca 0.02 -0.09 0.23 0.00 2.80 0.00 0.00 57.97 60.92 1cwu h PHE 173 Cb 1.12 -0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.08 1cwu h PHE 173 CO 0.08 1.07 -0.10 -0.11 -0.60 0.00 0.00 178.31 178.65 1cwu n LEU 174 N -3.39 -0.22 0.28 1.54 7.94 0.29 -0.40 117.00 123.05 1cwu n LEU 174 Ca -0.02 1.62 0.17 0.00 -1.11 0.00 0.00 56.01 56.67 1cwu n LEU 174 Cb 0.96 -0.54 0.92 0.00 0.53 0.00 0.00 43.42 45.29 1cwu n LEU 174 CO 0.49 -1.60 1.06 -0.65 -1.11 0.00 0.00 177.39 175.57 1cwu h PRO 175 N 0.00 0.00 -0.23 1.96 0.11 -1.78 -0.54 132.00 131.52 1cwu h PRO 175 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1cwu h PRO 175 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1cwu h PRO 175 CO -0.93 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.30 1cwu n ILE 176 N -2.76 1.17 -3.27 4.15 -5.35 0.47 -4.98 119.36 108.80 1cwu n ILE 176 Ca -0.02 -1.15 -0.39 0.00 -0.27 0.00 0.00 62.75 60.92 1cwu n ILE 176 Cb 0.14 0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 38.37 1cwu n ILE 176 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1cwu s MET 177 N -1.27 4.24 0.12 6.28 -1.94 -0.21 -0.46 119.30 126.05 1cwu s MET 177 Ca 0.19 0.43 -0.31 0.00 -1.71 0.00 0.00 55.69 54.29 1cwu s MET 177 Cb 0.12 -3.52 -0.07 0.00 2.01 0.00 0.00 34.83 33.37 1cwu s MET 177 CO 0.10 -0.05 1.26 -0.80 -0.01 0.00 0.00 175.02 175.52 1cwu s ASN 178 N 0.98 7.00 0.21 3.03 0.01 0.17 -4.92 114.94 121.42 1cwu s ASN 178 Ca 0.25 2.18 -0.29 0.00 -0.71 0.00 0.00 52.86 54.29 1cwu s ASN 178 Cb -0.15 -2.59 -0.16 0.00 0.41 0.00 0.00 41.25 38.75 1cwu s ASN 178 CO 0.10 -0.50 0.73 -2.65 -1.51 0.00 0.00 177.10 173.27 1cwu n PRO 179 N 3.50 0.46 -0.52 -0.60 -0.02 -1.26 -0.44 135.00 136.11 1cwu n PRO 179 Ca 0.08 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1cwu n PRO 179 Cb 0.45 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1cwu n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwu n GLY 180 N 1.75 0.76 3.95 -1.23 0.00 -0.96 -5.05 105.19 104.41 1cwu n GLY 180 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1cwu n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cwu s GLY 181 N -1.58 1.76 0.29 -0.02 0.00 0.41 -4.92 107.32 103.27 1cwu s GLY 181 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.25 1cwu s GLY 181 CO 0.00 -0.71 0.52 0.00 0.00 0.00 0.00 173.10 172.91 1cwu s ALA 182 N -3.54 -0.02 0.05 3.20 0.00 -0.93 -2.14 121.76 118.38 1cwu s ALA 182 Ca 0.70 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1cwu s ALA 182 Cb -0.05 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 1cwu s ALA 182 CO 0.49 -0.85 -0.02 -1.54 0.00 0.00 0.00 175.76 173.83 1cwu s SER 183 N -3.09 0.44 0.03 0.00 1.04 -0.24 -1.23 113.70 110.65 1cwu s SER 183 Ca 0.24 -0.92 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 1cwu s SER 183 Cb -0.01 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1cwu s SER 183 CO 0.13 -0.56 0.28 -0.51 0.98 0.00 0.00 173.24 173.56 1cwu s ILE 184 N -3.56 0.08 0.19 -1.02 1.10 -0.57 -2.82 121.20 114.60 1cwu s ILE 184 Ca 0.04 -0.68 -0.03 0.00 -0.51 0.00 0.00 60.65 59.47 1cwu s ILE 184 Cb 0.05 -0.85 -0.03 0.00 0.15 0.00 0.00 42.46 41.78 1cwu s ILE 184 CO -0.09 -0.37 0.17 -0.94 -2.11 0.00 0.00 174.94 171.60 1cwu s SER 185 N -1.89 0.14 -0.22 4.50 1.04 -1.16 -0.74 113.70 115.37 1cwu s SER 185 Ca -0.07 -1.26 -0.02 0.00 0.48 0.00 0.00 55.95 55.08 1cwu s SER 185 Cb -0.02 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1cwu s SER 185 CO -0.02 -0.86 -0.08 -0.76 0.98 0.00 0.00 173.24 172.50 1cwu s LEU 186 N -3.10 2.80 0.00 2.42 1.43 -1.23 -0.60 118.68 120.40 1cwu s LEU 186 Ca 0.32 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1cwu s LEU 186 Cb 0.06 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1cwu s LEU 186 CO 0.09 -0.05 0.00 1.07 0.23 0.00 0.00 176.35 177.69 1cwu n THR 187 N 4.72 0.00 -3.70 5.49 5.66 0.26 -4.92 114.28 121.80 1cwu n THR 187 Ca -0.18 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.68 1cwu n THR 187 Cb 0.50 -0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 68.74 1cwu n THR 187 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1cwu s TYR 188 N 0.13 -0.29 0.53 1.09 5.04 -1.26 -2.52 117.35 120.08 1cwu s TYR 188 Ca 0.00 0.43 0.24 0.00 -2.44 0.00 0.00 57.07 55.30 1cwu s TYR 188 Cb 0.00 0.18 1.40 0.00 0.35 0.00 0.00 41.96 43.88 1cwu s TYR 188 CO 0.00 -0.46 2.02 0.97 -1.34 0.00 0.00 175.55 176.74 1cwu h ILE 189 N 3.55 0.74 -0.57 3.14 6.09 -1.92 -2.68 117.51 125.87 1cwu h ILE 189 Ca -0.29 0.00 0.17 0.00 -1.37 0.00 0.00 64.86 63.36 1cwu h ILE 189 Cb 1.17 0.77 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 1cwu h ILE 189 CO 0.40 0.00 0.68 0.00 -3.07 0.00 0.00 178.15 176.17 1cwu h ALA 190 N 1.76 2.33 -0.59 0.18 0.00 -1.94 1.03 119.26 122.03 1cwu h ALA 190 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1cwu h ALA 190 Cb 0.87 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1cwu h ALA 190 CO -0.00 -0.98 0.13 0.66 0.00 0.00 0.00 179.25 179.06 1cwu h SER 191 N 0.00 0.91 0.36 0.00 4.64 -1.64 -3.30 113.55 114.53 1cwu h SER 191 Ca 0.27 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1cwu h SER 191 Cb 1.64 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1cwu h SER 191 CO -0.00 0.92 -1.53 -0.62 -0.87 0.00 0.00 176.83 174.73 1cwu n GLU 192 N -4.35 0.57 -4.13 4.77 1.02 0.34 -4.68 120.64 114.18 1cwu n GLU 192 Ca 0.03 -0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1cwu n GLU 192 Cb 0.25 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1cwu n GLU 192 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1cwu s ARG 193 N -3.41 0.96 -0.26 3.49 1.81 -0.16 -5.10 118.95 116.28 1cwu s ARG 193 Ca -0.04 -1.42 -0.28 0.00 -1.72 0.00 0.00 55.73 52.27 1cwu s ARG 193 Cb 0.13 0.26 0.01 0.00 -0.45 0.00 0.00 34.95 34.89 1cwu s ARG 193 CO 0.86 -0.28 1.02 0.42 -0.68 0.00 0.00 175.30 176.64 1cwu s ILE 194 N -4.05 4.65 -0.33 1.52 1.01 -1.26 -4.15 121.20 118.59 1cwu s ILE 194 Ca 0.24 1.90 0.03 0.00 0.00 0.00 0.00 60.65 62.82 1cwu s ILE 194 Cb 0.07 -4.32 0.10 0.00 0.01 0.00 0.00 42.46 38.32 1cwu s ILE 194 CO 0.02 -0.25 0.05 -0.63 0.00 0.00 0.00 174.94 174.13 1cwu s ILE 195 N 3.28 2.11 0.62 2.92 -1.09 -1.26 -5.02 121.20 122.75 1cwu s ILE 195 Ca 0.43 -2.22 -0.18 0.00 -2.23 0.00 0.00 60.65 56.45 1cwu s ILE 195 Cb -0.14 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1cwu s ILE 195 CO 0.09 -0.59 1.07 -2.65 -1.23 0.00 0.00 174.94 171.63 1cwu n PRO 196 N 4.32 0.98 0.00 2.79 -0.02 -1.26 -3.05 135.00 138.77 1cwu n PRO 196 Ca 0.03 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1cwu n PRO 196 Cb 0.42 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1cwu n PRO 196 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwu n GLY 197 N 1.17 3.10 3.30 -1.23 0.00 -1.26 -4.96 105.19 105.30 1cwu n GLY 197 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 1cwu n GLY 197 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1cwu n TYR 198 N -2.00 4.89 -0.20 1.61 9.36 -1.17 -4.77 117.16 124.87 1cwu n TYR 198 Ca 0.00 -3.72 0.00 0.00 3.32 0.00 0.00 57.90 57.50 1cwu n TYR 198 Cb 0.00 -1.68 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 1cwu n TYR 198 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1cwu n GLY 199 N 2.56 1.73 2.63 2.98 0.00 -0.03 -4.07 105.19 110.99 1cwu n GLY 199 Ca 0.25 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 1cwu n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwu n GLY 200 N 5.00 0.23 0.62 -0.02 0.00 0.73 -0.30 105.19 111.44 1cwu n GLY 200 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cwu n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwu n GLY 201 N 0.56 0.81 0.25 -0.02 0.00 -1.26 -3.94 105.19 101.58 1cwu n GLY 201 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1cwu n GLY 201 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1cwu h MET 202 N 3.49 0.64 0.53 1.61 2.07 -0.91 0.25 114.93 122.62 1cwu h MET 202 Ca 0.00 -0.25 -0.03 0.00 -2.07 0.00 0.00 59.70 57.36 1cwu h MET 202 Cb 0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 31.60 29.70 1cwu h MET 202 CO 0.00 0.82 -0.26 0.66 1.07 0.00 0.00 176.91 179.20 1cwu h SER 203 N 0.56 -0.60 -0.82 1.22 4.64 -1.72 -1.64 113.55 115.19 1cwu h SER 203 Ca 0.08 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.52 1cwu h SER 203 Cb 0.70 0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.89 1cwu h SER 203 CO 0.05 -0.39 0.54 0.28 -0.87 0.00 0.00 176.83 176.44 1cwu h SER 204 N -0.78 0.59 -0.44 4.97 0.02 -1.75 -2.42 113.55 113.74 1cwu h SER 204 Ca -0.07 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1cwu h SER 204 Cb 0.58 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1cwu h SER 204 CO 0.12 0.32 0.14 0.00 -1.14 0.00 0.00 176.83 176.27 1cwu h ALA 205 N 1.61 0.58 -0.59 3.77 0.00 0.37 -2.68 119.26 122.32 1cwu h ALA 205 Ca 0.40 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1cwu h ALA 205 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1cwu h ALA 205 CO -0.16 0.22 0.00 0.87 0.00 0.00 0.00 179.25 180.18 1cwu h LYS 206 N 0.57 1.02 -0.35 0.00 1.79 -0.86 0.20 116.57 118.94 1cwu h LYS 206 Ca 0.14 -0.31 0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1cwu h LYS 206 Cb 0.26 -0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.73 1cwu h LYS 206 CO -0.01 1.00 -0.16 0.00 -1.08 0.00 0.00 179.45 179.20 1cwu h ALA 207 N 1.06 0.11 -0.23 3.86 0.00 -1.34 0.36 119.26 123.08 1cwu h ALA 207 Ca 0.17 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1cwu h ALA 207 Cb 0.54 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1cwu h ALA 207 CO 0.03 -0.54 -0.37 0.00 0.00 0.00 0.00 179.25 178.37 1cwu h ALA 208 N 1.16 0.93 -0.17 0.00 0.00 -1.14 0.17 119.26 120.21 1cwu h ALA 208 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1cwu h ALA 208 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cwu h ALA 208 CO -0.42 0.62 0.10 1.25 0.00 0.00 0.00 179.25 180.80 1cwu h LEU 209 N 0.43 0.20 -0.23 0.00 5.85 0.14 0.59 115.31 122.29 1cwu h LEU 209 Ca 0.04 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1cwu h LEU 209 Cb 0.84 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1cwu h LEU 209 CO 0.07 0.19 0.08 -0.33 -0.34 0.00 0.00 178.44 178.10 1cwu h GLU 210 N 0.19 0.35 -0.52 1.25 5.08 -0.15 -0.57 114.58 120.22 1cwu h GLU 210 Ca 0.06 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1cwu h GLU 210 Cb 0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1cwu h GLU 210 CO -0.01 0.43 0.30 1.03 -1.00 0.00 0.00 179.01 179.75 1cwu h SER 211 N 0.20 0.47 -0.30 1.42 0.87 -0.38 -1.92 113.55 113.92 1cwu h SER 211 Ca 0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1cwu h SER 211 Cb 0.22 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1cwu h SER 211 CO -0.00 0.33 0.20 0.44 -0.53 0.00 0.00 176.83 177.27 1cwu h ASP 212 N 0.59 0.34 -0.43 6.23 3.32 0.73 -1.84 116.42 125.36 1cwu h ASP 212 Ca 0.22 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.31 1cwu h ASP 212 Cb 0.05 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1cwu h ASP 212 CO -0.11 0.25 0.13 0.74 -1.72 0.00 0.00 179.24 178.53 1cwu h THR 213 N 0.41 0.84 0.06 0.35 2.02 -0.30 1.28 112.91 117.57 1cwu h THR 213 Ca 0.11 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1cwu h THR 213 Cb -0.05 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1cwu h THR 213 CO -0.02 0.05 -0.03 0.03 0.37 0.00 0.00 175.52 175.92 1cwu h ARG 214 N 0.29 -0.08 0.50 6.66 3.08 -1.19 0.87 114.38 124.52 1cwu h ARG 214 Ca 0.20 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1cwu h ARG 214 Cb 0.21 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1cwu h ARG 214 CO -0.23 0.17 -0.26 0.28 -1.07 0.00 0.00 179.97 178.87 1cwu h VAL 215 N -0.32 0.47 -0.70 2.04 2.07 -0.85 -1.98 116.25 116.98 1cwu h VAL 215 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1cwu h VAL 215 Cb 0.28 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1cwu h VAL 215 CO 0.01 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.99 1cwu h LEU 216 N -0.70 0.59 -0.50 2.57 3.38 0.16 -0.47 115.31 120.34 1cwu h LEU 216 Ca -0.07 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1cwu h LEU 216 Cb 0.55 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1cwu h LEU 216 CO 0.10 0.37 0.21 0.00 0.09 0.00 0.00 178.44 179.20 1cwu h ALA 217 N 1.63 0.62 0.15 1.53 0.00 -0.31 0.41 119.26 123.29 1cwu h ALA 217 Ca 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1cwu h ALA 217 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1cwu h ALA 217 CO -0.10 -0.17 -0.07 0.35 0.00 0.00 0.00 179.25 179.25 1cwu h PHE 218 N 0.41 -0.19 0.82 0.00 3.57 -0.40 0.56 116.94 121.71 1cwu h PHE 218 Ca 0.23 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1cwu h PHE 218 Cb 0.21 0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.02 1cwu h PHE 218 CO -0.14 -0.00 -0.40 0.93 -2.23 0.00 0.00 178.31 176.47 1cwu h GLU 219 N -0.34 -1.07 0.00 1.11 5.08 -0.71 -0.59 114.58 118.08 1cwu h GLU 219 Ca -0.02 0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1cwu h GLU 219 Cb 0.27 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1cwu h GLU 219 CO 0.03 -0.71 -0.21 0.00 -1.00 0.00 0.00 179.01 177.12 1cwu h ALA 220 N -1.41 1.46 -0.05 3.43 0.00 -0.33 0.41 119.26 122.79 1cwu h ALA 220 Ca -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1cwu h ALA 220 Cb 0.85 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1cwu h ALA 220 CO 0.19 0.27 -0.01 0.78 0.00 0.00 0.00 179.25 180.47 1cwu h GLY 221 N 0.83 0.10 1.16 0.00 0.00 -0.77 0.63 103.07 105.03 1cwu h GLY 221 Ca -0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 1cwu h GLY 221 CO 0.03 0.08 -0.66 3.21 0.00 0.00 0.00 176.54 179.19 1cwu h ARG 222 N -0.26 0.84 -0.30 4.80 2.47 -0.88 -1.03 114.38 120.01 1cwu h ARG 222 Ca 0.01 -0.61 -0.04 0.00 -1.26 0.00 0.00 59.98 58.08 1cwu h ARG 222 Cb 0.41 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1cwu h ARG 222 CO 0.01 1.23 0.03 -0.22 0.56 0.00 0.00 179.97 181.58 1cwu h LYS 223 N 0.61 0.51 0.00 0.04 3.64 -0.11 -3.39 116.57 117.86 1cwu h LYS 223 Ca -0.02 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1cwu h LYS 223 Cb 1.29 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 1cwu h LYS 223 CO 0.14 0.62 -0.51 0.94 -2.27 0.00 0.00 179.45 178.37 1cwu n GLN 224 N -4.61 0.00 -4.00 1.90 7.27 0.17 -5.00 117.38 113.11 1cwu n GLN 224 Ca -0.02 -1.05 -0.29 0.00 0.07 0.00 0.00 57.00 55.71 1cwu n GLN 224 Cb 0.23 -0.15 -0.01 0.00 2.41 0.00 0.00 30.24 32.71 1cwu n GLN 224 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1cwu n ASN 225 N 0.13 -1.68 -4.65 1.69 4.05 -0.39 -4.30 115.26 110.10 1cwu n ASN 225 Ca -0.02 -0.97 -0.35 0.00 0.45 0.00 0.00 54.58 53.70 1cwu n ASN 225 Cb 0.77 -3.14 -0.10 0.00 1.23 0.00 0.00 39.78 38.54 1cwu n ASN 225 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1cwu s ILE 226 N -3.69 4.21 0.21 -1.44 -1.09 -0.94 -2.28 121.20 116.19 1cwu s ILE 226 Ca 0.28 -0.28 -0.08 0.00 -2.23 0.00 0.00 60.65 58.34 1cwu s ILE 226 Cb -0.15 -2.78 -0.07 0.00 -1.58 0.00 0.00 42.46 37.89 1cwu s ILE 226 CO 0.89 0.58 0.50 -0.13 -1.23 0.00 0.00 174.94 175.55 1cwu s ARG 227 N -0.67 3.75 -0.03 2.79 0.52 -0.91 -2.98 118.95 121.42 1cwu s ARG 227 Ca 0.11 0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.48 1cwu s ARG 227 Cb -0.12 -2.70 0.03 0.00 0.52 0.00 0.00 34.95 32.68 1cwu s ARG 227 CO 0.02 0.35 0.03 0.08 0.02 0.00 0.00 175.30 175.81 1cwu s VAL 228 N -1.78 -0.02 0.29 3.52 1.01 -1.26 -1.08 120.40 121.07 1cwu s VAL 228 Ca 0.46 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1cwu s VAL 228 Cb -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1cwu s VAL 228 CO 0.22 0.13 0.39 0.59 0.00 0.00 0.00 175.10 176.44 1cwu n ASN 229 N 4.53 -1.09 -3.56 3.32 3.02 -1.13 0.64 115.26 120.99 1cwu n ASN 229 Ca -0.20 -2.56 -0.17 0.00 -0.03 0.00 0.00 54.58 51.62 1cwu n ASN 229 Cb 0.50 2.05 -0.06 0.00 -0.61 0.00 0.00 39.78 41.66 1cwu n ASN 229 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1cwu s THR 230 N -2.76 0.01 -0.19 3.41 -1.32 -0.61 -3.00 115.64 111.18 1cwu s THR 230 Ca 0.24 -0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.62 1cwu s THR 230 Cb -0.01 -0.94 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1cwu s THR 230 CO 0.17 -0.04 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.82 1cwu s ILE 231 N -1.27 3.12 -0.59 5.08 1.01 0.23 -1.65 121.20 127.14 1cwu s ILE 231 Ca -0.11 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 1cwu s ILE 231 Cb -0.01 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.15 1cwu s ILE 231 CO 0.09 0.47 0.84 -0.55 0.00 0.00 0.00 174.94 175.79 1cwu s SER 232 N 1.08 6.23 0.37 3.58 0.15 0.14 0.93 113.70 126.17 1cwu s SER 232 Ca 0.00 -0.88 -0.08 0.00 0.70 0.00 0.00 55.95 55.69 1cwu s SER 232 Cb -0.15 -2.37 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1cwu s SER 232 CO -0.02 -1.21 0.69 0.00 1.20 0.00 0.00 173.24 173.90 1cwu s ALA 233 N 3.48 3.46 0.96 5.45 0.00 -1.05 -1.93 121.76 132.13 1cwu s ALA 233 Ca 0.21 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 1cwu s ALA 233 Cb -0.17 -2.54 0.19 0.00 0.00 0.00 0.00 23.12 20.59 1cwu s ALA 233 CO 0.12 0.05 1.30 0.20 0.00 0.00 0.00 175.76 177.43 1cwu s GLY 234 N -3.25 1.75 0.34 0.00 0.00 -0.83 -4.65 107.32 100.68 1cwu s GLY 234 Ca 0.48 -1.12 -0.27 0.00 0.00 0.00 0.00 44.72 43.81 1cwu s GLY 234 CO 0.32 -0.38 1.16 2.56 0.00 0.00 0.00 173.10 176.76 1cwu s PRO 235 N -5.83 4.33 -0.08 2.90 0.04 -1.26 -5.03 135.00 130.07 1cwu s PRO 235 Ca 0.72 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.59 1cwu s PRO 235 Cb -0.05 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1cwu s PRO 235 CO 0.53 -0.09 0.19 -1.17 0.04 0.00 0.00 177.00 176.50 1cwu s LEU 236 N -2.00 0.52 -0.99 -3.56 2.96 -1.26 -4.85 118.68 109.51 1cwu s LEU 236 Ca 0.51 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.75 1cwu s LEU 236 Cb -0.32 0.52 -0.06 0.00 0.50 0.00 0.00 46.19 46.83 1cwu s LEU 236 CO 0.41 -0.16 2.18 0.61 -1.32 0.00 0.00 176.35 178.07 1cwu n GLY 237 N 4.30 3.21 1.28 7.98 0.00 -1.26 -4.66 105.19 116.05 1cwu n GLY 237 Ca -0.25 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 1cwu n GLY 237 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cwu n SER 238 N 4.36 -0.95 -0.03 1.61 3.41 -1.26 -4.79 113.62 115.97 1cwu n SER 238 Ca 0.48 -0.87 -0.13 0.00 -0.26 0.00 0.00 58.87 58.09 1cwu n SER 238 Cb 0.16 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 1cwu n SER 238 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1cwu h ARG 239 N 0.00 0.11 -0.93 4.33 2.43 -1.90 -2.79 114.38 115.64 1cwu h ARG 239 Ca -0.15 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1cwu h ARG 239 Cb 0.44 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1cwu h ARG 239 CO 0.10 0.66 0.61 0.00 -1.51 0.00 0.00 179.97 179.83 1cwu h ALA 240 N 0.45 1.18 -0.01 2.80 0.00 -1.95 -1.91 119.26 119.82 1cwu h ALA 240 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1cwu h ALA 240 Cb 0.66 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1cwu h ALA 240 CO 0.02 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 1cwu h ALA 241 N 1.33 -0.04 0.00 0.00 0.00 -1.82 -0.24 119.26 118.49 1cwu h ALA 241 Ca 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1cwu h ALA 241 Cb -0.13 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1cwu h ALA 241 CO -0.07 -0.54 -0.02 0.87 0.00 0.00 0.00 179.25 179.49 1cwu h LYS 242 N -0.08 0.00 -0.12 0.00 1.57 -1.17 0.65 116.57 117.41 1cwu h LYS 242 Ca 0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1cwu h LYS 242 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1cwu h LYS 242 CO -0.05 0.02 -0.57 0.00 -0.57 0.00 0.00 179.45 178.27 1cwu h ALA 243 N 1.98 0.23 -0.60 3.86 0.00 -0.31 -2.87 119.26 121.56 1cwu h ALA 243 Ca -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1cwu h ALA 243 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1cwu h ALA 243 CO 0.00 0.47 0.39 0.82 0.00 0.00 0.00 179.25 180.93 1cwu h ILE 244 N 0.25 1.14 0.00 0.00 2.04 0.49 -3.46 117.51 117.96 1cwu h ILE 244 Ca -0.04 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1cwu h ILE 244 Cb 1.21 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1cwu h ILE 244 CO 0.12 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1cwu n GLY 245 N -1.45 0.82 0.17 5.37 0.00 -0.69 -4.90 105.19 104.52 1cwu n GLY 245 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1cwu n GLY 245 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1cwu n PHE 246 N -2.00 0.00 -0.35 1.61 -0.00 -1.26 -4.72 117.46 110.74 1cwu n PHE 246 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 1cwu n PHE 246 Cb 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 39.48 39.67 1cwu n PHE 246 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1cwu h ILE 247 N 0.86 1.11 -0.60 1.97 6.09 -1.91 -1.45 117.51 123.59 1cwu h ILE 247 Ca 0.00 -0.40 0.02 0.00 -1.37 0.00 0.00 64.86 63.11 1cwu h ILE 247 Cb 0.32 -0.15 -0.04 0.00 0.47 0.00 0.00 36.82 37.42 1cwu h ILE 247 CO 0.00 0.21 0.37 0.44 -3.07 0.00 0.00 178.15 176.10 1cwu h ASP 248 N 1.16 0.61 -0.40 2.19 3.32 -1.92 0.42 116.42 121.80 1cwu h ASP 248 Ca 0.40 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 1cwu h ASP 248 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1cwu h ASP 248 CO -0.15 0.43 -0.25 0.71 -1.72 0.00 0.00 179.24 178.26 1cwu h THR 249 N 0.74 1.27 -0.45 0.35 1.35 -1.79 -2.03 112.91 112.34 1cwu h THR 249 Ca 0.24 -1.41 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 1cwu h THR 249 Cb 0.00 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 1cwu h THR 249 CO -0.09 0.48 0.23 0.24 -0.25 0.00 0.00 175.52 176.12 1cwu h MET 250 N 0.79 0.62 -0.37 4.72 2.86 -0.20 0.47 114.93 123.81 1cwu h MET 250 Ca 0.10 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1cwu h MET 250 Cb 0.82 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1cwu h MET 250 CO 0.07 0.48 -0.31 0.82 1.06 0.00 0.00 176.91 179.03 1cwu h ILE 251 N 0.63 1.28 0.00 -1.22 2.04 0.12 -0.36 117.51 120.00 1cwu h ILE 251 Ca 0.16 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.46 1cwu h ILE 251 Cb 0.05 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1cwu h ILE 251 CO -0.02 0.49 -0.41 -0.33 0.00 0.00 0.00 178.15 177.87 1cwu h GLU 252 N 0.66 0.00 -0.02 2.37 4.39 -0.64 -0.55 114.58 120.79 1cwu h GLU 252 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1cwu h GLU 252 Cb 0.89 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1cwu h GLU 252 CO 0.08 0.41 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.40 1cwu h TYR 253 N 0.00 0.06 -0.27 4.33 5.03 0.26 -2.32 116.97 124.06 1cwu h TYR 253 Ca -0.00 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 1cwu h TYR 253 Cb 0.90 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 1cwu h TYR 253 CO 0.00 0.54 0.07 1.03 -1.32 0.00 0.00 178.16 178.48 1cwu h SER 254 N -0.44 0.35 -0.32 -2.11 0.87 -0.92 -1.48 113.55 109.50 1cwu h SER 254 Ca 0.00 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1cwu h SER 254 Cb 0.54 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1cwu h SER 254 CO 0.01 0.36 -0.03 0.22 -0.53 0.00 0.00 176.83 176.85 1cwu h TYR 255 N 0.39 0.64 -0.30 2.24 3.20 -0.96 -2.71 116.97 119.46 1cwu h TYR 255 Ca 0.09 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1cwu h TYR 255 Cb 0.15 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1cwu h TYR 255 CO 0.00 0.73 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.27 1cwu h ASN 256 N 0.37 0.58 -0.02 -2.11 -0.26 -0.84 -3.38 115.58 109.92 1cwu h ASN 256 Ca 0.09 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1cwu h ASN 256 Cb 0.49 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1cwu h ASN 256 CO 0.02 0.81 -0.24 0.59 -1.06 0.00 0.00 177.43 177.55 1cwu n ASN 257 N -4.48 2.44 -4.84 5.81 3.02 -0.61 -4.74 115.26 111.86 1cwu n ASN 257 Ca -0.03 -1.72 -0.32 0.00 -0.03 0.00 0.00 54.58 52.48 1cwu n ASN 257 Cb 0.32 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1cwu n ASN 257 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwu s ALA 258 N -2.25 3.03 0.18 5.41 0.00 -1.02 -4.69 121.76 122.42 1cwu s ALA 258 Ca 0.23 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1cwu s ALA 258 Cb 0.19 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 20.34 1cwu s ALA 258 CO 0.44 -0.37 1.72 -1.35 0.00 0.00 0.00 175.76 176.20 1cwu h PRO 259 N 0.68 0.20 -5.39 0.00 0.11 -1.82 -3.35 132.00 122.43 1cwu h PRO 259 Ca -0.46 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 1cwu h PRO 259 Cb 1.19 -0.05 -0.18 0.00 0.11 0.00 0.00 31.00 32.08 1cwu h PRO 259 CO 0.61 0.13 -0.61 -1.50 -0.21 0.00 0.00 178.00 176.42 1cwu s ILE 260 N -6.15 4.39 -0.30 4.15 2.07 -1.24 -5.07 121.20 119.06 1cwu s ILE 260 Ca -0.13 -0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 58.74 1cwu s ILE 260 Cb 0.15 -2.94 -0.01 0.00 0.13 0.00 0.00 42.46 39.78 1cwu s ILE 260 CO 0.72 0.50 0.57 -1.58 -1.91 0.00 0.00 174.94 173.23 1cwu s GLN 261 N 0.17 3.91 0.11 3.50 0.74 -1.26 -4.93 119.66 121.89 1cwu s GLN 261 Ca 0.02 0.22 -0.24 0.00 0.05 0.00 0.00 55.36 55.40 1cwu s GLN 261 Cb -0.13 -3.72 0.08 0.00 1.10 0.00 0.00 33.01 30.35 1cwu s GLN 261 CO 0.02 -0.51 1.14 -1.59 -0.55 0.00 0.00 175.29 173.80 1cwu s LYS 262 N 2.46 0.95 0.47 1.67 -2.85 -1.26 -5.14 119.74 116.04 1cwu s LYS 262 Ca 0.23 -0.62 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 1cwu s LYS 262 Cb -0.15 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 1cwu s LYS 262 CO 0.11 -0.45 0.80 0.95 0.10 0.00 0.00 175.35 176.87 1cwu s THR 263 N -2.06 4.86 -0.09 3.79 -4.23 -1.26 -4.68 115.64 111.96 1cwu s THR 263 Ca 0.26 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1cwu s THR 263 Cb -0.02 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1cwu s THR 263 CO 0.03 -0.78 0.02 -0.22 -0.54 0.00 0.00 174.62 173.13 1cwu s LEU 264 N -4.51 3.67 -0.01 4.79 2.96 -1.26 -5.05 118.68 119.27 1cwu s LEU 264 Ca 0.49 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 1cwu s LEU 264 Cb -0.10 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1cwu s LEU 264 CO 0.42 0.37 -0.08 0.42 -1.32 0.00 0.00 176.35 176.15 1cwu s THR 265 N -0.82 0.67 0.34 3.68 -4.23 -1.26 -5.00 115.64 109.02 1cwu s THR 265 Ca 0.13 -0.36 0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1cwu s THR 265 Cb -0.12 -0.57 0.36 0.00 1.34 0.00 0.00 72.50 73.52 1cwu s THR 265 CO 0.02 0.19 1.60 0.00 -0.54 0.00 0.00 174.62 175.89 1cwu h ALA 266 N 5.95 1.73 -0.75 3.99 0.00 -1.97 1.17 119.26 129.38 1cwu h ALA 266 Ca -0.30 0.27 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1cwu h ALA 266 Cb 1.18 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 19.21 1cwu h ALA 266 CO 0.50 -0.72 -0.25 0.22 0.00 0.00 0.00 179.25 178.99 1cwu h ASP 267 N 0.08 -0.91 -0.07 0.00 -0.00 -1.93 0.24 116.42 113.83 1cwu h ASP 267 Ca 0.72 0.24 -0.05 0.00 -0.00 0.00 0.00 57.03 57.94 1cwu h ASP 267 Cb 1.72 0.53 -0.01 0.00 -0.00 0.00 0.00 39.33 41.57 1cwu h ASP 267 CO -0.78 -0.27 -0.08 -0.33 -0.00 0.00 0.00 179.24 177.78 1cwu h GLU 268 N -0.05 0.34 0.11 0.28 5.08 0.10 -1.28 114.58 119.17 1cwu h GLU 268 Ca 0.33 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.35 1cwu h GLU 268 Cb 0.57 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1cwu h GLU 268 CO -0.78 0.43 -1.20 0.28 -1.00 0.00 0.00 179.01 176.74 1cwu h VAL 269 N 0.32 1.46 0.24 3.13 2.07 -1.25 -3.20 116.25 119.02 1cwu h VAL 269 Ca 0.07 -2.89 -0.00 0.00 0.82 0.00 0.00 66.70 64.70 1cwu h VAL 269 Cb 0.35 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1cwu h VAL 269 CO 0.02 0.85 -0.19 1.23 0.02 0.00 0.00 177.57 179.49 1cwu h GLY 270 N 1.36 -0.45 0.98 2.17 0.00 -0.07 -0.83 103.07 106.22 1cwu h GLY 270 Ca -0.13 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1cwu h GLY 270 CO 0.20 -0.19 0.66 3.43 0.00 0.00 0.00 176.54 180.64 1cwu h ASN 271 N -0.45 1.13 -0.69 0.19 -0.26 -1.41 0.33 115.58 114.42 1cwu h ASN 271 Ca -0.01 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1cwu h ASN 271 Cb 0.40 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 1cwu h ASN 271 CO -0.01 0.81 0.46 0.00 -1.06 0.00 0.00 177.43 177.62 1cwu h ALA 272 N 1.37 0.88 -0.41 -0.83 0.00 -1.49 0.15 119.26 118.93 1cwu h ALA 272 Ca 0.37 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1cwu h ALA 272 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1cwu h ALA 272 CO -0.09 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.33 1cwu h ALA 273 N 1.26 0.57 -0.52 0.00 0.00 -0.12 -1.01 119.26 119.43 1cwu h ALA 273 Ca 0.26 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1cwu h ALA 273 Cb -0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1cwu h ALA 273 CO -0.06 0.47 0.33 0.00 0.00 0.00 0.00 179.25 179.99 1cwu h ALA 274 N 0.84 0.66 0.51 0.00 0.00 0.16 -0.38 119.26 121.05 1cwu h ALA 274 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cwu h ALA 274 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1cwu h ALA 274 CO 0.05 0.07 -0.43 0.35 0.00 0.00 0.00 179.25 179.28 1cwu h PHE 275 N 0.67 -1.18 -0.27 0.00 3.57 -0.52 -2.08 116.94 117.14 1cwu h PHE 275 Ca 0.20 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1cwu h PHE 275 Cb -0.04 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1cwu h PHE 275 CO -0.05 -0.61 0.28 -0.07 -2.23 0.00 0.00 178.31 175.63 1cwu h LEU 276 N -0.93 0.00 -1.73 0.59 3.38 -0.91 0.20 115.31 115.91 1cwu h LEU 276 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1cwu h LEU 276 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1cwu h LEU 276 CO -0.02 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.84 1cwu n VAL 277 N -3.86 0.26 -3.13 1.22 0.24 -0.17 -4.81 118.33 108.08 1cwu n VAL 277 Ca 0.04 -0.52 -0.18 0.00 -2.04 0.00 0.00 64.34 61.63 1cwu n VAL 277 Cb 0.42 0.84 0.01 0.00 -1.47 0.00 0.00 33.84 33.64 1cwu n VAL 277 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cwu s SER 278 N -1.66 5.74 0.59 -1.34 1.04 0.71 -4.70 113.70 114.08 1cwu s SER 278 Ca 0.35 -0.29 0.37 0.00 0.48 0.00 0.00 55.95 56.86 1cwu s SER 278 Cb 0.20 -0.89 1.74 0.00 0.10 0.00 0.00 66.02 67.18 1cwu s SER 278 CO 0.30 -0.68 2.12 -0.65 0.98 0.00 0.00 173.24 175.31 1cwu h PRO 279 N 0.67 0.00 0.00 4.02 0.11 -1.86 -1.41 132.00 133.53 1cwu h PRO 279 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1cwu h PRO 279 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1cwu h PRO 279 CO 0.48 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.20 1cwu h LEU 280 N 0.00 0.00 -3.16 2.35 3.38 -1.94 -2.30 115.31 113.64 1cwu h LEU 280 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1cwu h LEU 280 Cb 0.33 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 1cwu h LEU 280 CO 0.00 0.01 0.30 0.00 0.09 0.00 0.00 178.44 178.84 1cwu n ALA 281 N -2.49 4.23 0.24 1.53 0.00 -0.53 -4.68 120.51 118.81 1cwu n ALA 281 Ca -0.03 -1.75 0.15 0.00 0.00 0.00 0.00 53.44 51.81 1cwu n ALA 281 Cb 0.10 -1.23 0.80 0.00 0.00 0.00 0.00 19.45 19.11 1cwu n ALA 281 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cwu h SER 282 N 1.36 0.00 -0.24 0.00 4.64 -1.56 -1.71 113.55 116.03 1cwu h SER 282 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1cwu h SER 282 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 1cwu h SER 282 CO 0.62 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.58 1cwu n ALA 283 N -1.86 2.19 -3.09 5.18 0.00 -1.26 -4.93 120.51 116.73 1cwu n ALA 283 Ca -0.02 -1.04 -0.40 0.00 0.00 0.00 0.00 53.44 51.98 1cwu n ALA 283 Cb 0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 1cwu n ALA 283 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cwu s ILE 284 N -0.96 4.26 -0.03 0.00 1.01 -0.64 -5.07 121.20 119.77 1cwu s ILE 284 Ca 0.17 -1.14 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1cwu s ILE 284 Cb 0.09 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 39.11 1cwu s ILE 284 CO 0.12 -0.33 0.30 0.28 0.00 0.00 0.00 174.94 175.31 1cwu s THR 285 N 1.47 0.05 0.00 2.92 -1.32 -1.26 -4.76 115.64 112.73 1cwu s THR 285 Ca 0.02 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1cwu s THR 285 Cb -0.21 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1cwu s THR 285 CO 0.04 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1cwu n GLY 286 N 1.50 0.52 3.86 6.08 0.00 0.21 -4.97 105.19 112.39 1cwu n GLY 286 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1cwu n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwu s ALA 287 N -2.05 3.22 -0.32 4.61 0.00 -1.25 -4.54 121.76 121.43 1cwu s ALA 287 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1cwu s ALA 287 Cb 0.00 -2.89 0.10 0.00 0.00 0.00 0.00 23.12 20.33 1cwu s ALA 287 CO 0.00 -0.14 0.08 0.99 0.00 0.00 0.00 175.76 176.69 1cwu s THR 288 N -2.53 1.45 -0.14 0.00 2.01 -1.26 -1.58 115.64 113.60 1cwu s THR 288 Ca 0.54 -1.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.63 1cwu s THR 288 Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1cwu s THR 288 CO 0.33 -0.65 0.23 -0.63 -0.69 0.00 0.00 174.62 173.21 1cwu s ILE 289 N 1.31 5.34 -0.46 1.82 -1.09 -0.66 -4.87 121.20 122.60 1cwu s ILE 289 Ca 0.10 0.43 -0.16 0.00 -2.23 0.00 0.00 60.65 58.79 1cwu s ILE 289 Cb -0.18 -3.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.21 1cwu s ILE 289 CO -0.18 0.48 0.39 -0.31 -1.23 0.00 0.00 174.94 174.09 1cwu s TYR 290 N -0.14 3.23 -1.03 3.97 2.02 -1.26 0.23 117.35 124.37 1cwu s TYR 290 Ca 0.15 -0.82 -0.05 0.00 -0.37 0.00 0.00 57.07 55.98 1cwu s TYR 290 Cb -0.13 -3.05 0.26 0.00 -0.40 0.00 0.00 41.96 38.64 1cwu s TYR 290 CO 0.04 -0.76 1.05 0.28 -1.57 0.00 0.00 175.55 174.59 1cwu n VAL 291 N 5.22 4.11 -1.93 0.71 0.31 -0.81 -4.67 118.33 121.27 1cwu n VAL 291 Ca -0.12 -5.38 0.00 0.00 -0.01 0.00 0.00 64.34 58.83 1cwu n VAL 291 Cb 0.45 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1cwu n VAL 291 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1cwu n ASP 292 N 2.27 0.00 -0.79 4.52 5.75 -1.26 -1.97 116.55 125.07 1cwu n ASP 292 Ca 0.24 -1.88 -0.10 0.00 -0.01 0.00 0.00 54.79 53.04 1cwu n ASP 292 Cb 0.38 -0.18 -0.04 0.00 -1.03 0.00 0.00 41.12 40.25 1cwu n ASP 292 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1cwu n ASN 293 N 0.00 -4.38 0.00 -1.12 3.02 -1.26 -2.99 115.26 108.53 1cwu n ASN 293 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1cwu n ASN 293 Cb 0.68 -2.78 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 1cwu n ASN 293 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwu n GLY 294 N -1.54 1.28 0.36 7.41 0.00 -1.26 -3.63 105.19 107.82 1cwu n GLY 294 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1cwu n GLY 294 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cwu n LEU 295 N 0.00 -0.82 -0.04 0.99 7.94 -1.16 0.07 117.00 123.98 1cwu n LEU 295 Ca 0.00 1.57 0.24 0.00 -1.11 0.00 0.00 56.01 56.71 1cwu n LEU 295 Cb 0.00 -0.25 0.64 0.00 0.53 0.00 0.00 43.42 44.33 1cwu n LEU 295 CO 0.00 -1.32 1.22 -0.55 -1.11 0.00 0.00 177.39 175.63 1cwu h ASN 296 N 0.00 0.00 0.66 1.96 7.08 -1.92 -0.50 115.58 122.86 1cwu h ASN 296 Ca 0.20 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.42 1cwu h ASN 296 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.66 1cwu h ASN 296 CO -0.85 0.00 -0.02 -1.20 -2.08 0.00 0.00 177.43 173.28 1cwu n SER 297 N -3.53 0.05 -4.76 6.14 7.64 0.11 -4.87 113.62 114.40 1cwu n SER 297 Ca 0.14 -0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.61 1cwu n SER 297 Cb 0.99 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 1cwu n SER 297 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1cwu s MET 298 N -2.68 4.72 0.08 1.43 -1.94 -0.20 -4.95 119.30 115.76 1cwu s MET 298 Ca 0.24 1.51 0.23 0.00 -1.71 0.00 0.00 55.69 55.96 1cwu s MET 298 Cb 0.20 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.88 1cwu s MET 298 CO 0.49 0.38 0.92 0.41 -0.01 0.00 0.00 175.02 177.20 1cwu n GLY 299 N 1.16 -1.25 3.42 -0.03 0.00 -1.26 -4.97 105.19 102.26 1cwu n GLY 299 Ca -0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1cwu n GLY 299 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cwu s VAL 300 N -3.32 0.05 -0.11 1.61 -7.23 -1.26 -5.14 120.40 105.00 1cwu s VAL 300 Ca -0.00 -0.97 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 1cwu s VAL 300 Cb 0.13 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1cwu s VAL 300 CO 0.82 -0.23 0.42 0.00 -0.31 0.00 0.00 175.10 175.80 1cwu s ALA 301 N -3.89 3.54 0.29 1.32 0.00 -1.26 -4.98 121.76 116.77 1cwu s ALA 301 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1cwu s ALA 301 Cb 0.01 -2.55 0.43 0.00 0.00 0.00 0.00 23.12 21.01 1cwu s ALA 301 CO -0.03 0.09 1.77 -0.07 0.00 0.00 0.00 175.76 177.52 1cwu h LEU 302 N 6.41 0.58 0.00 0.00 3.38 -1.85 -3.08 115.31 120.75 1cwu h LEU 302 Ca -0.43 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1cwu h LEU 302 Cb 1.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1cwu h LEU 302 CO 0.74 0.73 0.00 -0.90 0.09 0.00 0.00 178.44 179.09 1cwu n ASP 303 N -4.19 0.00 -4.63 -0.43 5.75 -1.26 -4.80 116.55 106.99 1cwu n ASP 303 Ca 0.01 0.06 -0.48 0.00 -0.01 0.00 0.00 54.79 54.37 1cwu n ASP 303 Cb 0.33 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1cwu n ASP 303 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1cwu n SER 304 N -1.28 2.40 0.24 -1.12 2.88 -1.17 -4.80 113.62 110.77 1cwu n SER 304 Ca 0.07 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.84 1cwu n SER 304 Cb 0.12 -1.33 0.61 0.00 -0.75 0.00 0.00 64.21 62.87 1cwu n SER 304 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1cwu h PRO 305 N 5.04 0.00 0.00 -1.46 0.11 -1.94 0.11 132.00 133.86 1cwu h PRO 305 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1cwu h PRO 305 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1cwu h PRO 305 CO 0.82 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 178.22 1cwu h VAL 306 N 0.00 0.00 -0.03 3.15 -1.51 -1.95 -3.56 116.25 112.35 1cwu h VAL 306 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1cwu h VAL 306 Cb 0.51 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1cwu h VAL 306 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83