#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs6 s ARG 2 N 0.00 3.43 0.06 2.12 1.81 -1.26 -4.03 118.95 121.08 1xs6 s ARG 2 Ca 0.00 -0.51 -0.31 0.00 -1.72 0.00 0.00 55.73 53.20 1xs6 s ARG 2 Cb 0.00 -3.00 -0.08 0.00 -0.45 0.00 0.00 34.95 31.41 1xs6 s ARG 2 CO 0.00 0.57 1.70 -0.51 -0.68 0.00 0.00 175.30 176.38 1xs6 s LEU 3 N -2.81 4.37 0.82 2.53 1.43 -0.33 -5.01 118.68 119.68 1xs6 s LEU 3 Ca 0.35 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 1xs6 s LEU 3 Cb -0.12 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1xs6 s LEU 3 CO 0.28 -0.92 1.12 0.00 0.23 0.00 0.00 176.35 177.06 1xs6 h ASP 5 N -1.30 -0.55 -0.54 0.00 3.04 -0.37 0.10 116.42 116.80 1xs6 h ASP 5 Ca -0.44 0.21 0.07 0.00 -3.24 0.00 0.00 57.03 53.63 1xs6 h ASP 5 Cb 1.25 0.41 -0.06 0.00 -1.04 0.00 0.00 39.33 39.89 1xs6 h ASP 5 CO 0.48 -0.22 0.22 -0.09 -2.04 0.00 0.00 179.24 177.59 1xs6 h ARG 6 N 0.03 0.42 -0.49 4.15 9.65 -1.93 -1.06 114.38 125.15 1xs6 h ARG 6 Ca 0.37 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.15 1xs6 h ARG 6 Cb 0.60 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1xs6 h ARG 6 CO -0.71 0.27 0.00 -0.44 2.80 0.00 0.00 179.97 181.89 1xs6 h ASP 7 N 0.43 0.79 -0.53 -3.80 3.32 -1.78 -1.38 116.42 113.47 1xs6 h ASP 7 Ca 0.25 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1xs6 h ASP 7 Cb 0.25 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1xs6 h ASP 7 CO -0.23 0.85 0.31 0.40 -1.72 0.00 0.00 179.24 178.85 1xs6 h ILE 8 N 0.76 1.04 -0.84 0.35 2.04 -0.43 0.31 117.51 120.75 1xs6 h ILE 8 Ca 0.15 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1xs6 h ILE 8 Cb 0.46 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1xs6 h ILE 8 CO 0.02 0.11 0.55 -0.33 0.00 0.00 0.00 178.15 178.50 1xs6 h GLU 9 N 0.62 1.06 -0.58 2.37 5.08 -0.92 -1.34 114.58 120.85 1xs6 h GLU 9 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1xs6 h GLU 9 Cb 0.04 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1xs6 h GLU 9 CO -0.10 0.70 0.29 0.00 -1.00 0.00 0.00 179.01 178.89 1xs6 h ALA 10 N 1.33 0.75 -0.43 3.43 0.00 -0.64 0.16 119.26 123.86 1xs6 h ALA 10 Ca 0.32 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1xs6 h ALA 10 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1xs6 h ALA 10 CO -0.09 0.31 -0.15 -1.49 0.00 0.00 0.00 179.25 177.83 1xs6 h TRP 11 N 0.79 0.89 -0.21 0.00 4.06 -0.62 0.60 115.95 121.47 1xs6 h TRP 11 Ca 0.20 -0.18 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 1xs6 h TRP 11 Cb 0.11 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1xs6 h TRP 11 CO -0.00 0.90 -0.05 -0.07 -3.56 0.00 0.00 178.44 175.65 1xs6 h LEU 12 N 0.72 0.41 -0.73 -4.49 3.38 -0.96 0.18 115.31 113.83 1xs6 h LEU 12 Ca 0.11 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1xs6 h LEU 12 Cb 0.65 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1xs6 h LEU 12 CO 0.05 0.68 0.41 0.44 0.09 0.00 0.00 178.44 180.10 1xs6 h ASP 13 N 0.13 0.59 0.30 -0.43 3.32 -0.26 -2.53 116.42 117.54 1xs6 h ASP 13 Ca 0.05 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xs6 h ASP 13 Cb 0.50 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1xs6 h ASP 13 CO 0.02 0.37 -0.04 -0.62 -1.72 0.00 0.00 179.24 177.25 1xs6 n GLU 14 N -4.77 0.76 -1.82 3.56 1.02 0.17 -4.92 120.64 114.63 1xs6 n GLU 14 Ca 0.10 -0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 1xs6 n GLU 14 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1xs6 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs6 n GLY 15 N 1.19 0.35 0.13 0.62 0.00 -0.94 -4.95 105.19 101.59 1xs6 n GLY 15 Ca 0.17 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 1xs6 n GLY 15 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xs6 h ARG 16 N 0.00 0.37 -5.12 1.61 2.43 -0.90 -3.45 114.38 109.31 1xs6 h ARG 16 Ca -0.14 -0.62 -0.37 0.00 -0.81 0.00 0.00 59.98 58.04 1xs6 h ARG 16 Cb 0.89 0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 30.52 1xs6 h ARG 16 CO 0.18 1.27 -0.68 -0.48 -1.51 0.00 0.00 179.97 178.74 1xs6 s LEU 17 N -7.24 2.34 -0.01 3.80 2.34 -1.19 -4.09 118.68 114.63 1xs6 s LEU 17 Ca -0.10 -1.13 0.05 0.00 0.06 0.00 0.00 54.13 53.00 1xs6 s LEU 17 Cb 0.06 -0.33 -0.01 0.00 -0.56 0.00 0.00 46.19 45.35 1xs6 s LEU 17 CO 0.88 -0.43 -0.15 -0.44 -1.06 0.00 0.00 176.35 175.15 1xs6 s SER 18 N -3.26 1.81 -0.08 1.48 0.01 -0.33 -4.30 113.70 109.03 1xs6 s SER 18 Ca 0.24 -0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 1xs6 s SER 18 Cb 0.04 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1xs6 s SER 18 CO 0.06 0.19 -0.04 -0.63 0.41 0.00 0.00 173.24 173.23 1xs6 s ILE 19 N -0.36 0.66 -0.14 1.44 1.01 -1.26 -0.80 121.20 121.75 1xs6 s ILE 19 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1xs6 s ILE 19 Cb -0.06 -0.73 0.05 0.00 0.01 0.00 0.00 42.46 41.73 1xs6 s ILE 19 CO -0.01 0.29 0.04 0.20 0.00 0.00 0.00 174.94 175.46 1xs6 s ASN 20 N 1.61 2.22 0.69 3.58 0.01 -0.06 -2.18 114.94 120.81 1xs6 s ASN 20 Ca 0.01 -0.46 -0.13 0.00 -0.71 0.00 0.00 52.86 51.57 1xs6 s ASN 20 Cb -0.13 -0.44 0.01 0.00 0.41 0.00 0.00 41.25 41.10 1xs6 s ASN 20 CO -0.05 -0.27 1.08 -2.16 -1.51 0.00 0.00 177.10 174.19 1xs6 s PRO 21 N 1.97 2.81 -0.23 -0.60 0.04 -1.26 -0.73 135.00 137.00 1xs6 s PRO 21 Ca 0.02 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1xs6 s PRO 21 Cb -0.15 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1xs6 s PRO 21 CO -0.07 -1.21 1.33 0.50 0.04 0.00 0.00 177.00 177.59 1xs6 s ARG 22 N -4.59 4.04 0.51 4.56 3.52 -0.93 -4.88 118.95 121.19 1xs6 s ARG 22 Ca 0.62 1.49 -0.22 0.00 -0.13 0.00 0.00 55.73 57.49 1xs6 s ARG 22 Cb -0.17 -3.85 -0.07 0.00 -1.56 0.00 0.00 34.95 29.30 1xs6 s ARG 22 CO 0.48 -0.96 1.19 -2.30 -0.81 0.00 0.00 175.30 172.91 1xs6 n PRO 23 N 7.05 1.52 -1.38 5.12 -0.02 -1.26 -5.00 135.00 141.02 1xs6 n PRO 23 Ca 0.15 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 1xs6 n PRO 23 Cb 0.46 -2.35 0.18 0.00 -0.02 0.00 0.00 33.50 31.77 1xs6 n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xs6 s PRO 24 N -2.55 0.28 0.44 0.52 0.04 -1.26 -4.91 135.00 127.57 1xs6 s PRO 24 Ca 0.68 0.16 0.10 0.00 0.04 0.00 0.00 61.00 61.99 1xs6 s PRO 24 Cb -0.46 -1.75 0.98 0.00 0.04 0.00 0.00 34.50 33.31 1xs6 s PRO 24 CO 0.52 -2.75 2.06 0.28 0.04 0.00 0.00 177.00 177.16 1xs6 h VAL 25 N -1.90 1.04 0.00 -0.36 2.07 -1.94 -1.10 116.25 114.07 1xs6 h VAL 25 Ca -0.49 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1xs6 h VAL 25 Cb 1.31 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1xs6 h VAL 25 CO 0.51 0.07 0.00 -1.84 0.02 0.00 0.00 177.57 176.33 1xs6 n GLU 26 N -4.49 0.04 0.00 1.57 0.00 -1.26 -2.32 120.64 114.18 1xs6 n GLU 26 Ca 0.03 0.26 0.08 0.00 0.00 0.00 0.00 57.16 57.52 1xs6 n GLU 26 Cb 0.13 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.12 1xs6 n GLU 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xs6 n ARG 27 N -1.45 1.25 -3.92 3.44 5.12 -0.42 -4.86 116.66 115.82 1xs6 n ARG 27 Ca 0.04 -1.31 -0.35 0.00 -1.93 0.00 0.00 57.85 54.30 1xs6 n ARG 27 Cb 0.14 -1.28 -0.14 0.00 -1.16 0.00 0.00 32.46 30.02 1xs6 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs6 s ILE 28 N -1.37 3.04 -0.09 0.55 1.01 -0.98 -0.46 121.20 122.90 1xs6 s ILE 28 Ca 0.17 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1xs6 s ILE 28 Cb 0.13 -2.60 0.07 0.00 0.01 0.00 0.00 42.46 40.07 1xs6 s ILE 28 CO 0.22 0.11 0.70 0.54 0.00 0.00 0.00 174.94 176.52 1xs6 s ASN 29 N 1.33 -0.66 1.38 3.58 2.20 -0.32 -4.93 114.94 117.52 1xs6 s ASN 29 Ca -0.01 0.82 0.00 0.00 -0.94 0.00 0.00 52.86 52.73 1xs6 s ASN 29 Cb -0.17 0.68 0.00 0.00 -2.00 0.00 0.00 41.25 39.75 1xs6 s ASN 29 CO -0.03 -0.54 0.00 0.61 -2.94 0.00 0.00 177.10 174.20 1xs6 n GLY 30 N 1.18 0.97 0.12 0.45 0.00 -1.26 -0.80 105.19 105.86 1xs6 n GLY 30 Ca -0.18 0.42 0.07 0.00 0.00 0.00 0.00 46.02 46.33 1xs6 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 n ALA 31 N 8.55 2.13 -2.30 4.61 0.00 -1.26 0.37 120.51 132.61 1xs6 n ALA 31 Ca 0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 53.44 51.24 1xs6 n ALA 31 Cb 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1xs6 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs6 s THR 32 N -2.03 0.74 -0.11 0.00 -4.23 0.02 -4.38 115.64 105.64 1xs6 s THR 32 Ca 0.21 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1xs6 s THR 32 Cb 0.18 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1xs6 s THR 32 CO 0.02 -0.24 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.97 1xs6 s VAL 33 N -3.62 1.83 0.34 2.29 1.01 -0.49 -1.18 120.40 120.58 1xs6 s VAL 33 Ca 0.31 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 1xs6 s VAL 33 Cb 0.07 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1xs6 s VAL 33 CO 0.09 0.51 1.11 -1.81 0.00 0.00 0.00 175.10 175.00 1xs6 s ASP 34 N 0.70 6.94 0.36 3.32 1.01 0.39 -0.74 116.67 128.66 1xs6 s ASP 34 Ca -0.11 2.25 0.09 0.00 0.71 0.00 0.00 52.55 55.49 1xs6 s ASP 34 Cb -0.16 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.10 1xs6 s ASP 34 CO 0.02 -0.37 0.01 0.68 0.21 0.00 0.00 175.17 175.72 1xs6 s VAL 35 N -1.34 2.47 0.13 -1.27 -7.23 -0.37 -4.89 120.40 107.89 1xs6 s VAL 35 Ca 0.51 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 1xs6 s VAL 35 Cb -0.30 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 1xs6 s VAL 35 CO 0.38 -0.16 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.69 1xs6 s ARG 36 N -3.72 1.18 0.17 4.82 0.52 -1.26 -0.99 118.95 119.66 1xs6 s ARG 36 Ca 0.35 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1xs6 s ARG 36 Cb 0.02 -1.33 -0.08 0.00 0.52 0.00 0.00 34.95 34.09 1xs6 s ARG 36 CO 0.19 0.29 1.16 -1.17 0.02 0.00 0.00 175.30 175.79 1xs6 s LEU 37 N -2.26 4.46 0.00 2.53 2.96 0.40 0.67 118.68 127.44 1xs6 s LEU 37 Ca 0.10 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1xs6 s LEU 37 Cb -0.08 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1xs6 s LEU 37 CO 0.05 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 1xs6 n GLY 38 N 2.22 -0.45 0.16 7.98 0.00 0.27 -0.15 105.19 115.22 1xs6 n GLY 38 Ca 0.04 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.38 1xs6 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs6 n ASN 39 N -1.06 2.30 -4.41 1.61 6.94 -1.26 -4.25 115.26 115.13 1xs6 n ASN 39 Ca 0.00 -2.20 -0.33 0.00 -0.02 0.00 0.00 54.58 52.03 1xs6 n ASN 39 Cb 0.00 -0.13 -0.14 0.00 -2.36 0.00 0.00 39.78 37.15 1xs6 n ASN 39 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xs6 s LYS 40 N -1.35 2.77 0.05 -3.83 1.02 -1.26 -1.85 119.74 115.29 1xs6 s LYS 40 Ca 0.11 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1xs6 s LYS 40 Cb 0.08 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1xs6 s LYS 40 CO 0.04 0.46 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.82 1xs6 s PHE 41 N -0.30 0.58 0.02 3.18 0.40 -0.17 -3.69 117.98 118.01 1xs6 s PHE 41 Ca 0.02 -0.83 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 1xs6 s PHE 41 Cb -0.13 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.00 1xs6 s PHE 41 CO 0.03 -0.24 -0.05 1.03 0.70 0.00 0.00 175.22 176.69 1xs6 s ARG 42 N -3.03 0.38 0.12 0.44 0.52 -0.19 -0.17 118.95 117.03 1xs6 s ARG 42 Ca 0.01 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1xs6 s ARG 42 Cb 0.01 -0.16 -0.00 0.00 0.52 0.00 0.00 34.95 35.32 1xs6 s ARG 42 CO -0.05 0.02 0.01 0.25 0.02 0.00 0.00 175.30 175.55 1xs6 n THR 43 N 1.93 0.00 -4.42 0.02 -2.24 -1.26 -1.24 114.28 107.07 1xs6 n THR 43 Ca -0.20 -0.56 -0.26 0.00 -2.27 0.00 0.00 64.05 60.75 1xs6 n THR 43 Cb 0.56 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 1xs6 n THR 43 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xs6 s PHE 44 N -1.50 2.24 -0.56 4.78 0.40 -1.26 -1.28 117.98 120.80 1xs6 s PHE 44 Ca 0.01 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1xs6 s PHE 44 Cb 0.00 -1.10 0.16 0.00 0.51 0.00 0.00 43.02 42.59 1xs6 s PHE 44 CO 0.01 0.50 0.38 1.03 0.70 0.00 0.00 175.22 177.84 1xs6 s ARG 45 N -2.77 1.77 0.45 0.44 0.52 0.26 -4.85 118.95 114.76 1xs6 s ARG 45 Ca 0.21 -2.68 0.12 0.00 -0.52 0.00 0.00 55.73 52.87 1xs6 s ARG 45 Cb -0.07 -2.67 1.01 0.00 0.52 0.00 0.00 34.95 33.73 1xs6 s ARG 45 CO 0.10 -1.27 2.04 0.78 0.02 0.00 0.00 175.30 176.97 1xs6 h GLY 46 N 5.86 0.18 2.00 -3.53 0.00 -1.91 -2.84 103.07 102.83 1xs6 h GLY 46 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xs6 h GLY 46 CO 0.58 0.08 0.00 -2.39 0.00 0.00 0.00 176.54 174.81 1xs6 n HIS 47 N -4.42 0.76 0.99 5.60 1.44 -1.26 -2.30 115.22 116.03 1xs6 n HIS 47 Ca -0.01 0.39 0.13 0.00 -2.01 0.00 0.00 57.72 56.22 1xs6 n HIS 47 Cb 0.16 -1.13 0.34 0.00 0.12 0.00 0.00 29.99 29.48 1xs6 n HIS 47 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1xs6 n THR 48 N -2.28 0.01 -3.70 0.61 -2.24 -1.07 -4.92 114.28 100.69 1xs6 n THR 48 Ca -0.01 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1xs6 n THR 48 Cb 0.04 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 1xs6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs6 s ALA 49 N -3.00 -1.07 0.05 6.98 0.00 -0.97 -4.93 121.76 118.81 1xs6 s ALA 49 Ca 0.12 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 1xs6 s ALA 49 Cb 0.18 -0.05 -0.32 0.00 0.00 0.00 0.00 23.12 22.93 1xs6 s ALA 49 CO 0.66 -0.28 1.07 0.00 0.00 0.00 0.00 175.76 177.20 1xs6 h ALA 50 N 3.86 -0.05 -2.66 0.00 0.00 -1.91 -3.47 119.26 115.02 1xs6 h ALA 50 Ca -0.29 -0.84 0.11 0.00 0.00 0.00 0.00 54.91 53.89 1xs6 h ALA 50 Cb 1.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1xs6 h ALA 50 CO 0.37 0.76 0.42 -0.59 0.00 0.00 0.00 179.25 180.21 1xs6 s PHE 51 N -2.72 -0.03 -0.16 0.00 -0.12 -1.26 -5.14 117.98 108.55 1xs6 s PHE 51 Ca -0.08 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.39 1xs6 s PHE 51 Cb 0.05 0.72 0.02 0.00 -0.63 0.00 0.00 43.02 43.18 1xs6 s PHE 51 CO 0.93 -1.10 -0.18 0.42 -0.05 0.00 0.00 175.22 175.23 1xs6 s ILE 52 N -2.86 1.87 -0.84 -4.49 1.01 -1.26 -5.03 121.20 109.59 1xs6 s ILE 52 Ca 0.15 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 1xs6 s ILE 52 Cb -0.03 -1.70 0.05 0.00 0.01 0.00 0.00 42.46 40.79 1xs6 s ILE 52 CO 0.06 0.51 1.27 -0.62 0.00 0.00 0.00 174.94 176.16 1xs6 s ASP 53 N 1.31 6.32 0.25 3.58 -1.08 -1.26 -4.88 116.67 120.92 1xs6 s ASP 53 Ca 0.04 -1.03 -0.03 0.00 -0.52 0.00 0.00 52.55 51.01 1xs6 s ASP 53 Cb -0.13 -2.52 0.45 0.00 -1.46 0.00 0.00 42.92 39.26 1xs6 s ASP 53 CO -0.11 -1.59 1.79 -0.07 0.52 0.00 0.00 175.17 175.71 1xs6 h LEU 54 N 12.43 0.60 -3.52 -1.34 3.38 -1.99 -1.85 115.31 123.02 1xs6 h LEU 54 Ca -0.08 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xs6 h LEU 54 Cb 1.04 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1xs6 h LEU 54 CO 1.30 0.31 0.07 -1.20 0.09 0.00 0.00 178.44 179.00 1xs6 n SER 55 N -4.80 4.84 -2.27 -0.43 7.64 -1.26 -4.77 113.62 112.56 1xs6 n SER 55 Ca 0.15 -3.08 -0.03 0.00 1.01 0.00 0.00 58.87 56.92 1xs6 n SER 55 Cb 0.34 -0.66 0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1xs6 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xs6 n GLY 56 N 0.01 -0.13 3.73 0.23 0.00 -0.70 -4.99 105.19 103.34 1xs6 n GLY 56 Ca 0.30 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1xs6 n GLY 56 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xs6 s PRO 57 N -3.01 4.13 0.19 1.61 0.02 -1.26 -4.86 135.00 131.82 1xs6 s PRO 57 Ca 0.09 2.59 -0.14 0.00 0.02 0.00 0.00 61.00 63.55 1xs6 s PRO 57 Cb -0.00 -3.05 0.17 0.00 0.02 0.00 0.00 34.50 31.64 1xs6 s PRO 57 CO 0.06 -0.69 1.67 -0.22 -0.33 0.00 0.00 177.00 177.48 1xs6 h LYS 58 N 5.89 0.06 -0.77 5.54 3.64 -1.94 -1.88 116.57 127.12 1xs6 h LYS 58 Ca -0.45 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1xs6 h LYS 58 Cb 1.21 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 1xs6 h LYS 58 CO 0.88 0.04 -0.46 0.38 -2.27 0.00 0.00 179.45 178.02 1xs6 h ASP 59 N 0.07 -1.69 -0.34 4.20 2.03 -1.92 -1.97 116.42 116.79 1xs6 h ASP 59 Ca 0.25 0.26 -0.15 0.00 -0.73 0.00 0.00 57.03 56.65 1xs6 h ASP 59 Cb 0.37 0.75 -0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1xs6 h ASP 59 CO -0.45 -0.18 -0.38 -0.33 -1.03 0.00 0.00 179.24 176.86 1xs6 h GLU 60 N -0.01 0.87 -0.04 4.15 5.08 -1.74 -2.29 114.58 120.59 1xs6 h GLU 60 Ca 0.12 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1xs6 h GLU 60 Cb 0.32 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1xs6 h GLU 60 CO -0.73 1.12 -0.10 0.28 -1.00 0.00 0.00 179.01 178.58 1xs6 h VAL 61 N 0.66 0.74 -0.52 3.13 2.07 -1.37 -0.81 116.25 120.15 1xs6 h VAL 61 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1xs6 h VAL 61 Cb 0.98 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1xs6 h VAL 61 CO 0.09 0.00 0.24 -1.28 0.02 0.00 0.00 177.57 176.64 1xs6 h SER 62 N -0.15 0.31 -0.70 0.57 0.87 -1.00 0.44 113.55 113.89 1xs6 h SER 62 Ca 0.05 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1xs6 h SER 62 Cb 0.22 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1xs6 h SER 62 CO -0.13 0.21 0.45 0.00 -0.53 0.00 0.00 176.83 176.83 1xs6 h ALA 63 N 1.31 0.92 -0.05 6.23 0.00 -1.09 0.03 119.26 126.59 1xs6 h ALA 63 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xs6 h ALA 63 Cb 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xs6 h ALA 63 CO -0.20 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.30 1xs6 h ALA 64 N 1.29 0.07 -0.59 0.00 0.00 -0.27 -1.57 119.26 118.19 1xs6 h ALA 64 Ca 0.28 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1xs6 h ALA 64 Cb -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1xs6 h ALA 64 CO -0.10 -0.31 0.23 -0.07 0.00 0.00 0.00 179.25 179.00 1xs6 h LEU 65 N -0.13 0.24 -1.41 0.00 3.38 -0.68 0.61 115.31 117.32 1xs6 h LEU 65 Ca 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xs6 h LEU 65 Cb 0.23 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xs6 h LEU 65 CO 0.00 0.15 0.06 0.44 0.09 0.00 0.00 178.44 179.18 1xs6 h ASP 66 N 0.42 0.42 -0.05 -0.43 5.19 -0.81 -1.00 116.42 120.16 1xs6 h ASP 66 Ca 0.29 -0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.52 1xs6 h ASP 66 Cb 0.34 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 39.75 1xs6 h ASP 66 CO -0.29 0.44 -0.48 0.03 -3.12 0.00 0.00 179.24 175.82 1xs6 h ARG 67 N 0.45 0.41 0.02 3.56 3.08 -0.44 -3.36 114.38 118.10 1xs6 h ARG 67 Ca 0.11 -0.38 -0.25 0.00 0.07 0.00 0.00 59.98 59.53 1xs6 h ARG 67 Cb 0.20 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.35 1xs6 h ARG 67 CO -0.00 1.03 -1.02 -0.39 -1.07 0.00 0.00 179.97 178.52 1xs6 h VAL 68 N -0.08 1.35 -3.47 2.04 -1.51 -0.74 -3.43 116.25 110.41 1xs6 h VAL 68 Ca -0.05 -2.41 -0.52 0.00 -1.23 0.00 0.00 66.70 62.49 1xs6 h VAL 68 Cb 1.16 2.45 0.01 0.00 -2.13 0.00 0.00 31.29 32.79 1xs6 h VAL 68 CO 0.10 0.73 0.53 -0.04 -1.23 0.00 0.00 177.57 177.65 1xs6 s MET 69 N -3.23 4.52 0.85 5.19 -1.94 -0.40 0.89 119.30 125.19 1xs6 s MET 69 Ca -0.07 1.80 -0.12 0.00 -1.71 0.00 0.00 55.69 55.59 1xs6 s MET 69 Cb 0.08 -3.27 0.10 0.00 2.01 0.00 0.00 34.83 33.75 1xs6 s MET 69 CO 0.89 -0.05 1.10 -1.54 -0.01 0.00 0.00 175.02 175.41 1xs6 s SER 70 N 0.18 3.93 0.76 3.03 1.04 -0.40 -4.88 113.70 117.35 1xs6 s SER 70 Ca 0.52 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.17 1xs6 s SER 70 Cb -0.31 -2.07 0.05 0.00 0.10 0.00 0.00 66.02 63.80 1xs6 s SER 70 CO 0.35 -2.33 1.22 0.47 0.98 0.00 0.00 173.24 173.93 1xs6 n ASP 71 N -3.67 1.34 -4.73 7.02 8.00 -1.26 -4.77 116.55 118.48 1xs6 n ASP 71 Ca 0.07 0.66 -0.42 0.00 0.71 0.00 0.00 54.79 55.82 1xs6 n ASP 71 Cb 0.56 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.11 1xs6 n ASP 71 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xs6 s GLU 72 N -3.86 4.23 -0.22 -1.24 2.12 -1.26 -4.69 118.70 113.77 1xs6 s GLU 72 Ca 0.76 2.35 -0.10 0.00 0.36 0.00 0.00 54.97 58.34 1xs6 s GLU 72 Cb -0.32 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1xs6 s GLU 72 CO 0.47 -0.56 0.15 0.42 -0.54 0.00 0.00 175.26 175.21 1xs6 s ILE 73 N 0.79 5.38 -0.22 -3.70 1.01 0.76 -4.92 121.20 120.31 1xs6 s ILE 73 Ca 0.67 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 1xs6 s ILE 73 Cb -0.43 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1xs6 s ILE 73 CO 0.35 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.87 1xs6 s VAL 74 N 0.73 2.57 -0.06 2.92 1.01 -1.26 -1.00 120.40 125.31 1xs6 s VAL 74 Ca 0.08 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1xs6 s VAL 74 Cb -0.12 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1xs6 s VAL 74 CO 0.02 0.34 0.42 -0.76 0.00 0.00 0.00 175.10 175.12 1xs6 s LEU 75 N 1.31 4.37 0.79 3.92 1.43 -0.77 -5.05 118.68 124.69 1xs6 s LEU 75 Ca 0.02 0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 1xs6 s LEU 75 Cb -0.15 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.54 1xs6 s LEU 75 CO -0.08 0.17 1.16 -1.81 0.23 0.00 0.00 176.35 176.02 1xs6 s ASP 76 N -0.23 3.89 0.00 2.29 1.01 -1.26 -4.87 116.67 117.50 1xs6 s ASP 76 Ca 0.24 2.18 0.00 0.00 0.71 0.00 0.00 52.55 55.68 1xs6 s ASP 76 Cb -0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1xs6 s ASP 76 CO 0.11 -2.46 0.00 1.21 0.21 0.00 0.00 175.17 174.24 1xs6 n GLU 77 N -3.35 0.00 -0.15 8.23 2.13 -1.26 -0.43 120.64 125.82 1xs6 n GLU 77 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1xs6 n GLU 77 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1xs6 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs6 n GLY 78 N 0.00 1.51 3.79 8.31 0.00 -1.26 -4.96 105.19 112.57 1xs6 n GLY 78 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xs6 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xs6 s GLU 79 N -0.08 3.40 0.09 1.61 2.12 0.43 -5.00 118.70 121.27 1xs6 s GLU 79 Ca 0.00 1.32 0.07 0.00 0.36 0.00 0.00 54.97 56.72 1xs6 s GLU 79 Cb 0.00 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1xs6 s GLU 79 CO 0.00 -0.76 -0.13 0.00 -0.54 0.00 0.00 175.26 173.84 1xs6 s ALA 80 N -2.23 2.85 -0.27 6.30 0.00 -1.26 -4.33 121.76 122.82 1xs6 s ALA 80 Ca 0.66 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 1xs6 s ALA 80 Cb -0.18 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1xs6 s ALA 80 CO 0.31 0.62 0.10 0.12 0.00 0.00 0.00 175.76 176.91 1xs6 s PHE 81 N -1.14 3.12 -0.57 0.00 5.36 -0.37 -4.94 117.98 119.44 1xs6 s PHE 81 Ca 0.19 -0.50 -0.25 0.00 -0.96 0.00 0.00 56.93 55.42 1xs6 s PHE 81 Cb -0.11 -2.28 0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1xs6 s PHE 81 CO 0.11 -0.40 1.00 0.71 -1.46 0.00 0.00 175.22 175.19 1xs6 s TYR 82 N 1.61 2.73 -0.47 10.12 1.51 -1.26 -0.94 117.35 130.65 1xs6 s TYR 82 Ca 0.05 0.03 -0.22 0.00 -1.01 0.00 0.00 57.07 55.93 1xs6 s TYR 82 Cb -0.16 -4.19 0.03 0.00 -0.11 0.00 0.00 41.96 37.53 1xs6 s TYR 82 CO 0.05 -1.45 0.72 -1.17 -1.11 0.00 0.00 175.55 172.59 1xs6 s LEU 83 N 4.22 4.46 0.19 -1.29 2.96 0.28 -4.90 118.68 124.60 1xs6 s LEU 83 Ca 0.32 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1xs6 s LEU 83 Cb -0.12 -2.76 -0.07 0.00 0.50 0.00 0.00 46.19 43.75 1xs6 s LEU 83 CO 0.20 -0.89 0.49 -1.00 -1.32 0.00 0.00 176.35 173.82 1xs6 s HIS 84 N 3.07 3.45 0.13 5.38 3.76 -1.26 -0.47 115.29 129.35 1xs6 s HIS 84 Ca 0.24 0.78 -0.34 0.00 -0.15 0.00 0.00 55.06 55.60 1xs6 s HIS 84 Cb -0.14 -2.19 -0.17 0.00 1.11 0.00 0.00 32.58 31.19 1xs6 s HIS 84 CO 0.19 0.33 1.07 -2.30 -0.85 0.00 0.00 174.74 173.19 1xs6 n PRO 85 N 0.01 0.75 -0.65 8.40 -0.02 -1.26 -2.52 135.00 139.71 1xs6 n PRO 85 Ca -0.01 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1xs6 n PRO 85 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1xs6 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs6 n GLY 86 N 1.95 0.78 3.37 -1.23 0.00 -0.57 -5.00 105.19 104.49 1xs6 n GLY 86 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1xs6 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs6 s GLU 87 N -0.35 3.48 0.29 1.61 0.41 -1.05 -5.00 118.70 118.09 1xs6 s GLU 87 Ca 0.00 -0.59 -0.27 0.00 -0.41 0.00 0.00 54.97 53.70 1xs6 s GLU 87 Cb 0.00 -3.00 -0.10 0.00 -1.78 0.00 0.00 34.13 29.26 1xs6 s GLU 87 CO 0.00 -0.07 0.94 -1.17 -0.49 0.00 0.00 175.26 174.47 1xs6 s LEU 88 N 1.16 4.44 0.10 1.80 2.96 -1.26 -3.44 118.68 124.44 1xs6 s LEU 88 Ca 0.02 1.87 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 1xs6 s LEU 88 Cb -0.15 -3.87 0.02 0.00 0.50 0.00 0.00 46.19 42.69 1xs6 s LEU 88 CO -0.00 0.01 0.29 0.00 -1.32 0.00 0.00 176.35 175.33 1xs6 s ALA 89 N -1.47 -0.58 0.08 5.97 0.00 -0.36 -4.73 121.76 120.68 1xs6 s ALA 89 Ca 0.47 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1xs6 s ALA 89 Cb -0.21 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1xs6 s ALA 89 CO 0.26 -0.56 0.06 -0.51 0.00 0.00 0.00 175.76 175.01 1xs6 s LEU 90 N -2.75 3.70 0.00 0.00 1.43 -0.37 -0.63 118.68 120.06 1xs6 s LEU 90 Ca 0.03 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1xs6 s LEU 90 Cb 0.03 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1xs6 s LEU 90 CO -0.11 0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.65 1xs6 n ALA 91 N 0.51 0.00 -3.38 4.21 0.00 -0.30 -1.02 120.51 120.53 1xs6 n ALA 91 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1xs6 n ALA 91 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 1xs6 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs6 s VAL 92 N -2.81 0.02 0.62 0.00 0.11 -1.24 -0.12 120.40 116.98 1xs6 s VAL 92 Ca 0.00 -0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 58.70 1xs6 s VAL 92 Cb 0.00 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1xs6 s VAL 92 CO 0.00 -0.10 1.14 0.42 -3.33 0.00 0.00 175.10 173.23 1xs6 s THR 93 N -0.79 3.05 0.14 5.04 -4.23 0.49 0.96 115.64 120.30 1xs6 s THR 93 Ca -0.09 0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 60.83 1xs6 s THR 93 Cb -0.03 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.69 1xs6 s THR 93 CO 0.05 -0.23 1.69 0.25 -0.54 0.00 0.00 174.62 175.84 1xs6 h LEU 94 N 0.48 0.59 -9.72 4.79 5.85 0.06 -3.37 115.31 113.98 1xs6 h LEU 94 Ca -0.48 -0.17 -0.50 0.00 0.84 0.00 0.00 57.88 57.57 1xs6 h LEU 94 Cb 1.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1xs6 h LEU 94 CO 0.55 0.60 0.38 -1.61 -0.34 0.00 0.00 178.44 178.02 1xs6 s GLU 95 N -5.55 4.77 0.20 1.25 8.01 -1.26 -4.70 118.70 121.42 1xs6 s GLU 95 Ca -0.13 1.56 -0.18 0.00 0.01 0.00 0.00 54.97 56.23 1xs6 s GLU 95 Cb 0.11 -3.28 -0.08 0.00 -4.31 0.00 0.00 34.13 26.57 1xs6 s GLU 95 CO 0.76 0.38 0.67 0.45 0.01 0.00 0.00 175.26 177.54 1xs6 s SER 96 N -0.86 6.99 -0.03 -0.19 0.15 0.09 -4.19 113.70 115.65 1xs6 s SER 96 Ca 0.43 1.32 0.05 0.00 0.70 0.00 0.00 55.95 58.45 1xs6 s SER 96 Cb -0.27 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 1xs6 s SER 96 CO 0.34 0.05 -0.17 -0.69 1.20 0.00 0.00 173.24 173.97 1xs6 s VAL 97 N -1.51 1.38 -0.12 4.45 1.01 -0.21 -0.88 120.40 124.52 1xs6 s VAL 97 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1xs6 s VAL 97 Cb -0.16 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1xs6 s VAL 97 CO 0.20 0.40 -0.12 -0.89 0.00 0.00 0.00 175.10 174.69 1xs6 s THR 98 N -0.10 1.32 -0.04 3.92 2.01 0.02 -0.53 115.64 122.25 1xs6 s THR 98 Ca -0.00 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1xs6 s THR 98 Cb -0.10 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1xs6 s THR 98 CO 0.01 0.42 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 1xs6 s LEU 99 N 1.45 2.97 1.18 4.42 1.43 0.63 -1.19 118.68 129.57 1xs6 s LEU 99 Ca 0.02 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 1xs6 s LEU 99 Cb -0.13 -1.66 0.28 0.00 0.03 0.00 0.00 46.19 44.71 1xs6 s LEU 99 CO -0.08 0.33 1.12 -2.16 0.23 0.00 0.00 176.35 175.79 1xs6 s PRO 100 N -0.96 -1.09 0.20 1.29 0.04 -1.26 -1.43 135.00 131.79 1xs6 s PRO 100 Ca 0.13 -0.06 0.21 0.00 0.04 0.00 0.00 61.00 61.32 1xs6 s PRO 100 Cb -0.11 -1.61 0.89 0.00 0.04 0.00 0.00 34.50 33.71 1xs6 s PRO 100 CO 0.03 -3.62 1.65 0.00 0.04 0.00 0.00 177.00 175.10 1xs6 n ALA 101 N -4.70 1.67 -1.07 8.56 0.00 -1.26 -2.23 120.51 121.48 1xs6 n ALA 101 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1xs6 n ALA 101 Cb 0.59 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.96 1xs6 n ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xs6 n ASP 102 N -2.06 3.92 -3.86 0.00 5.75 -1.26 -0.27 116.55 118.77 1xs6 n ASP 102 Ca 0.02 -3.16 -0.14 0.00 -0.01 0.00 0.00 54.79 51.51 1xs6 n ASP 102 Cb 0.22 -0.60 -0.15 0.00 -1.03 0.00 0.00 41.12 39.56 1xs6 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs6 s LEU 103 N -2.92 1.71 -0.01 -2.12 2.96 -1.19 -0.49 118.68 116.62 1xs6 s LEU 103 Ca 0.45 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 1xs6 s LEU 103 Cb 0.37 -0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.95 1xs6 s LEU 103 CO 0.09 -0.03 -0.14 0.54 -1.32 0.00 0.00 176.35 175.49 1xs6 s VAL 104 N 0.33 3.09 0.14 1.68 0.11 -0.65 -2.73 120.40 122.37 1xs6 s VAL 104 Ca -0.03 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.20 1xs6 s VAL 104 Cb -0.05 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 1xs6 s VAL 104 CO -0.01 0.48 0.18 -0.83 -3.33 0.00 0.00 175.10 171.60 1xs6 s GLY 105 N -1.06 1.77 -0.03 6.54 0.00 0.85 -0.62 107.32 114.77 1xs6 s GLY 105 Ca 0.13 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1xs6 s GLY 105 CO 0.03 -1.11 -0.07 -0.98 0.00 0.00 0.00 173.10 170.97 1xs6 s TRP 106 N -1.70 0.82 -0.22 1.90 0.52 0.26 -0.26 118.94 120.26 1xs6 s TRP 106 Ca 0.32 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 56.16 1xs6 s TRP 106 Cb -0.11 -0.61 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 1xs6 s TRP 106 CO 0.25 -0.11 0.07 -1.17 0.02 0.00 0.00 176.95 176.01 1xs6 s LEU 107 N 0.34 3.62 0.21 2.99 2.96 0.31 -1.79 118.68 127.33 1xs6 s LEU 107 Ca -0.05 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.88 1xs6 s LEU 107 Cb -0.09 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1xs6 s LEU 107 CO 0.00 0.05 -0.09 -1.81 -1.32 0.00 0.00 176.35 173.18 1xs6 s ASP 108 N 1.09 4.20 0.00 3.68 1.01 0.33 -4.85 116.67 122.14 1xs6 s ASP 108 Ca 0.04 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.65 1xs6 s ASP 108 Cb -0.14 -0.68 0.00 0.00 1.01 0.00 0.00 42.92 43.11 1xs6 s ASP 108 CO 0.03 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1xs6 n GLY 109 N -0.20 1.09 3.02 0.21 0.00 -1.26 -0.54 105.19 107.51 1xs6 n GLY 109 Ca -0.09 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1xs6 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs6 s ARG 110 N 1.18 0.18 0.37 1.61 0.52 -1.26 -3.91 118.95 117.64 1xs6 s ARG 110 Ca 0.00 0.37 0.13 0.00 -0.52 0.00 0.00 55.73 55.71 1xs6 s ARG 110 Cb 0.00 -0.04 0.94 0.00 0.52 0.00 0.00 34.95 36.37 1xs6 s ARG 110 CO 0.00 -0.10 1.83 1.03 0.02 0.00 0.00 175.30 178.07 1xs6 h SER 111 N 6.63 0.56 -0.48 0.23 0.87 -1.98 0.19 113.55 119.58 1xs6 h SER 111 Ca -0.35 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1xs6 h SER 111 Cb 1.17 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1xs6 h SER 111 CO 0.40 0.22 0.11 0.28 -0.53 0.00 0.00 176.83 177.31 1xs6 h SER 112 N 0.56 0.78 0.25 6.23 0.02 -1.99 -2.01 113.55 117.39 1xs6 h SER 112 Ca 0.51 -0.15 -0.30 0.00 -0.84 0.00 0.00 61.79 61.01 1xs6 h SER 112 Cb 1.04 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 63.40 1xs6 h SER 112 CO -0.25 0.77 -1.27 -0.07 -1.14 0.00 0.00 176.83 174.87 1xs6 h LEU 113 N 0.80 0.78 -0.87 5.07 3.38 -1.50 -3.30 115.31 119.67 1xs6 h LEU 113 Ca 0.17 -0.75 0.09 0.00 0.09 0.00 0.00 57.88 57.48 1xs6 h LEU 113 Cb 0.32 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1xs6 h LEU 113 CO 0.00 1.56 0.52 0.00 0.09 0.00 0.00 178.44 180.61 1xs6 h ALA 114 N 0.35 1.24 0.00 1.53 0.00 -0.46 -1.38 119.26 120.53 1xs6 h ALA 114 Ca -0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xs6 h ALA 114 Cb 1.95 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1xs6 h ALA 114 CO 0.24 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.20 1xs6 n ARG 115 N -4.69 0.41 -0.04 0.00 1.74 -0.78 -1.05 116.66 112.25 1xs6 n ARG 115 Ca 0.14 0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 1xs6 n ARG 115 Cb 0.26 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.24 1xs6 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs6 n LEU 116 N -1.13 2.22 0.00 0.55 4.77 -0.61 -5.03 117.00 117.77 1xs6 n LEU 116 Ca 0.11 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1xs6 n LEU 116 Cb 0.09 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1xs6 n LEU 116 CO 0.11 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1xs6 n GLY 117 N -0.39 0.51 3.57 -0.72 0.00 -0.21 -3.97 105.19 103.98 1xs6 n GLY 117 Ca 0.03 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1xs6 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs6 s LEU 118 N 0.00 3.82 0.00 0.99 2.96 -0.68 -0.22 118.68 125.56 1xs6 s LEU 118 Ca 0.00 0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.86 1xs6 s LEU 118 Cb 0.00 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 1xs6 s LEU 118 CO 0.00 -1.20 0.69 -0.04 -1.32 0.00 0.00 176.35 174.48 1xs6 s MET 119 N 4.17 4.42 0.00 1.98 -1.94 -0.40 -4.12 119.30 123.41 1xs6 s MET 119 Ca 0.41 0.90 0.20 0.00 -1.71 0.00 0.00 55.69 55.49 1xs6 s MET 119 Cb -0.09 -3.37 -0.22 0.00 2.01 0.00 0.00 34.83 33.16 1xs6 s MET 119 CO 0.27 0.27 0.87 1.33 -0.01 0.00 0.00 175.02 177.75 1xs6 n VAL 120 N 2.97 0.00 -3.96 -6.03 0.24 -1.26 -2.18 118.33 108.11 1xs6 n VAL 120 Ca -0.04 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 1xs6 n VAL 120 Cb 0.51 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 1xs6 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs6 s HIS 121 N -2.92 0.40 -0.58 6.34 -3.43 -1.16 -3.57 115.29 110.37 1xs6 s HIS 121 Ca 0.08 -0.78 0.04 0.00 -0.80 0.00 0.00 55.06 53.60 1xs6 s HIS 121 Cb 0.15 -0.10 0.15 0.00 -1.43 0.00 0.00 32.58 31.35 1xs6 s HIS 121 CO 0.84 -0.66 0.38 0.08 -2.00 0.00 0.00 174.74 173.37 1xs6 s VAL 122 N -3.96 2.28 -0.62 -5.38 1.01 -1.26 -4.81 120.40 107.67 1xs6 s VAL 122 Ca 0.16 -3.57 -0.12 0.00 0.00 0.00 0.00 61.98 58.44 1xs6 s VAL 122 Cb 0.04 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1xs6 s VAL 122 CO -0.02 -0.96 0.23 0.35 0.00 0.00 0.00 175.10 174.70 1xs6 n THR 123 N 2.61 -1.01 -3.19 3.92 -2.24 -1.26 -4.93 114.28 108.18 1xs6 n THR 123 Ca 0.15 -0.27 0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1xs6 n THR 123 Cb 0.36 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.70 1xs6 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs6 s ALA 124 N -4.12 -2.31 -0.03 6.98 0.00 -1.26 -5.05 121.76 115.97 1xs6 s ALA 124 Ca 0.17 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1xs6 s ALA 124 Cb -0.09 -2.61 0.07 0.00 0.00 0.00 0.00 23.12 20.49 1xs6 s ALA 124 CO 0.46 -2.02 0.99 -2.39 0.00 0.00 0.00 175.76 172.80 1xs6 n HIS 125 N 4.92 0.00 -3.11 0.00 -0.00 -1.26 -4.88 115.22 110.88 1xs6 n HIS 125 Ca 0.08 -0.27 -0.39 0.00 -0.00 0.00 0.00 57.72 57.14 1xs6 n HIS 125 Cb 0.55 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.99 30.42 1xs6 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs6 s ARG 126 N -0.75 4.40 -0.27 -1.40 3.52 -1.26 -0.53 118.95 122.65 1xs6 s ARG 126 Ca 0.08 0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 56.43 1xs6 s ARG 126 Cb 0.07 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1xs6 s ARG 126 CO 0.01 0.19 0.05 0.42 -0.81 0.00 0.00 175.30 175.15 1xs6 s ILE 127 N 0.39 3.80 0.55 4.11 -1.09 0.64 -4.98 121.20 124.62 1xs6 s ILE 127 Ca 0.34 -0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 57.97 1xs6 s ILE 127 Cb -0.18 -2.91 -0.07 0.00 -1.58 0.00 0.00 42.46 37.73 1xs6 s ILE 127 CO 0.18 0.17 1.00 -1.81 -1.23 0.00 0.00 174.94 173.24 1xs6 s ASP 128 N 1.49 6.49 0.27 3.58 1.01 -1.26 -0.11 116.67 128.13 1xs6 s ASP 128 Ca 0.03 1.53 -0.30 0.00 0.71 0.00 0.00 52.55 54.52 1xs6 s ASP 128 Cb -0.16 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 1xs6 s ASP 128 CO 0.01 -0.68 1.55 -2.16 0.21 0.00 0.00 175.17 174.10 1xs6 s PRO 129 N -4.40 4.17 0.00 8.23 0.04 -1.11 -1.35 135.00 140.59 1xs6 s PRO 129 Ca 0.58 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.10 1xs6 s PRO 129 Cb -0.10 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1xs6 s PRO 129 CO 0.38 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1xs6 n GLY 130 N 2.37 1.22 3.73 0.56 0.00 -0.51 -1.45 105.19 111.11 1xs6 n GLY 130 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1xs6 n GLY 130 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xs6 n TRP 131 N -2.00 2.62 -3.51 1.61 -0.00 -0.46 -3.31 117.44 112.39 1xs6 n TRP 131 Ca 0.00 0.49 -0.12 0.00 -0.00 0.00 0.00 57.50 57.87 1xs6 n TRP 131 Cb 0.00 -2.48 -0.10 0.00 -0.00 0.00 0.00 31.31 28.73 1xs6 n TRP 131 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xs6 s SER 132 N -0.17 0.38 0.00 5.87 0.15 -1.24 -0.27 113.70 118.42 1xs6 s SER 132 Ca 0.55 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1xs6 s SER 132 Cb -0.53 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1xs6 s SER 132 CO 0.62 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1xs6 n GLY 133 N 5.36 0.67 3.82 9.45 0.00 0.31 -4.06 105.19 120.74 1xs6 n GLY 133 Ca -0.05 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1xs6 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 s ILE 135 N -2.61 5.07 -0.10 0.00 1.01 -1.26 -4.76 121.20 118.55 1xs6 s ILE 135 Ca 0.61 0.07 -0.25 0.00 0.00 0.00 0.00 60.65 61.09 1xs6 s ILE 135 Cb -0.14 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1xs6 s ILE 135 CO 0.39 0.40 0.77 -0.69 0.00 0.00 0.00 174.94 175.81 1xs6 s VAL 136 N 0.75 4.97 -0.15 2.92 1.01 -1.26 -0.38 120.40 128.27 1xs6 s VAL 136 Ca 0.06 1.56 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 1xs6 s VAL 136 Cb -0.13 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1xs6 s VAL 136 CO 0.02 0.16 0.21 -0.76 0.00 0.00 0.00 175.10 174.73 1xs6 s LEU 137 N 1.33 4.30 -0.41 3.92 1.43 0.83 -4.93 118.68 125.14 1xs6 s LEU 137 Ca 0.39 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.86 1xs6 s LEU 137 Cb -0.18 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 43.90 1xs6 s LEU 137 CO 0.17 0.23 0.24 0.00 0.23 0.00 0.00 176.35 177.22 1xs6 s ALA 138 N -0.12 3.26 -0.14 4.21 0.00 -1.23 -1.15 121.76 126.59 1xs6 s ALA 138 Ca 0.14 -2.17 -0.12 0.00 0.00 0.00 0.00 51.96 49.81 1xs6 s ALA 138 Cb -0.12 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1xs6 s ALA 138 CO 0.03 -1.65 0.25 -0.06 0.00 0.00 0.00 175.76 174.33 1xs6 s PHE 139 N 1.39 3.51 -0.04 0.00 2.99 0.20 -2.98 117.98 123.05 1xs6 s PHE 139 Ca 0.03 0.59 0.01 0.00 0.00 0.00 0.00 56.93 57.56 1xs6 s PHE 139 Cb -0.23 -2.24 0.02 0.00 0.00 0.00 0.00 43.02 40.57 1xs6 s PHE 139 CO 0.01 0.38 -0.05 -0.47 -0.00 0.00 0.00 175.22 175.10 1xs6 s TYR 140 N 0.01 0.69 -0.53 0.36 5.04 -0.92 -1.22 117.35 120.78 1xs6 s TYR 140 Ca 0.16 -0.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.45 1xs6 s TYR 140 Cb -0.13 -0.59 0.11 0.00 0.35 0.00 0.00 41.96 41.69 1xs6 s TYR 140 CO 0.04 -0.15 0.50 1.21 -1.34 0.00 0.00 175.55 175.81 1xs6 s ASN 141 N 0.70 6.18 0.00 4.32 3.84 -1.22 -1.27 114.94 127.48 1xs6 s ASN 141 Ca -0.09 -1.56 0.24 0.00 0.21 0.00 0.00 52.86 51.65 1xs6 s ASN 141 Cb -0.12 -2.22 0.96 0.00 -0.55 0.00 0.00 41.25 39.31 1xs6 s ASN 141 CO 0.00 -0.83 1.67 -1.54 -2.79 0.00 0.00 177.10 173.61 1xs6 n SER 142 N 5.43 1.35 -1.58 -4.21 3.41 0.69 -1.51 113.62 117.19 1xs6 n SER 142 Ca -0.13 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1xs6 n SER 142 Cb 0.42 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1xs6 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs6 n GLY 143 N 1.10 1.04 0.00 5.00 0.00 -1.25 -4.88 105.19 106.21 1xs6 n GLY 143 Ca 0.17 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.32 1xs6 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs6 n LYS 144 N -0.62 0.89 -4.60 1.61 4.76 -1.26 -4.64 118.16 114.31 1xs6 n LYS 144 Ca 0.00 -0.09 -0.30 0.00 -2.87 0.00 0.00 58.31 55.05 1xs6 n LYS 144 Cb 0.00 -1.37 -0.13 0.00 -1.84 0.00 0.00 35.03 31.69 1xs6 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs6 s LEU 145 N -3.60 2.31 0.61 -0.35 1.02 -1.26 -4.94 118.68 112.47 1xs6 s LEU 145 Ca -0.01 -0.66 -0.19 0.00 0.02 0.00 0.00 54.13 53.30 1xs6 s LEU 145 Cb 0.12 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 45.01 1xs6 s LEU 145 CO 0.72 0.21 1.28 -2.84 0.02 0.00 0.00 176.35 175.74 1xs6 s PRO 146 N -1.72 2.83 -0.11 1.29 0.02 -1.26 -4.52 135.00 131.52 1xs6 s PRO 146 Ca 0.13 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.19 1xs6 s PRO 146 Cb -0.10 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.47 1xs6 s PRO 146 CO 0.05 -1.37 -0.13 -0.51 -0.33 0.00 0.00 177.00 174.70 1xs6 s LEU 147 N -4.07 1.60 -0.23 -5.54 1.43 0.39 -4.96 118.68 107.30 1xs6 s LEU 147 Ca 0.78 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.25 1xs6 s LEU 147 Cb -0.36 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1xs6 s LEU 147 CO 0.39 -0.02 0.74 0.00 0.23 0.00 0.00 176.35 177.69 1xs6 s ALA 148 N 1.21 3.61 -0.14 4.21 0.00 -1.26 -0.56 121.76 128.84 1xs6 s ALA 148 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 1xs6 s ALA 148 Cb -0.14 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1xs6 s ALA 148 CO -0.04 -0.81 -0.07 -0.51 0.00 0.00 0.00 175.76 174.32 1xs6 s LEU 149 N 2.55 3.07 -0.08 0.00 1.43 -0.12 -4.94 118.68 120.60 1xs6 s LEU 149 Ca 0.32 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 1xs6 s LEU 149 Cb -0.16 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1xs6 s LEU 149 CO 0.09 0.20 -0.20 -0.13 0.23 0.00 0.00 176.35 176.53 1xs6 s ARG 150 N 0.19 2.82 -0.01 1.70 0.52 -1.26 -1.24 118.95 121.66 1xs6 s ARG 150 Ca -0.04 -0.82 -0.38 0.00 -0.52 0.00 0.00 55.73 53.97 1xs6 s ARG 150 Cb -0.14 -2.33 -0.17 0.00 0.52 0.00 0.00 34.95 32.83 1xs6 s ARG 150 CO 0.04 0.35 1.37 -2.30 0.02 0.00 0.00 175.30 174.78 1xs6 n PRO 151 N 3.07 0.91 0.00 3.54 -0.02 -1.26 -2.14 135.00 139.09 1xs6 n PRO 151 Ca -0.18 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1xs6 n PRO 151 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1xs6 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs6 n GLY 152 N 2.68 2.10 3.71 -1.23 0.00 0.78 -4.93 105.19 108.31 1xs6 n GLY 152 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1xs6 n GLY 152 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xs6 s MET 153 N -0.86 1.83 0.01 1.61 0.23 -0.91 -4.54 119.30 116.67 1xs6 s MET 153 Ca 0.00 1.65 -0.30 0.00 -1.03 0.00 0.00 55.69 56.01 1xs6 s MET 153 Cb 0.00 -1.81 -0.06 0.00 -1.53 0.00 0.00 34.83 31.43 1xs6 s MET 153 CO 0.00 -2.05 1.46 -0.51 -2.03 0.00 0.00 175.02 171.89 1xs6 s LEU 154 N -5.63 4.33 -0.00 0.18 1.43 -1.26 -0.45 118.68 117.27 1xs6 s LEU 154 Ca 0.71 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 56.00 1xs6 s LEU 154 Cb -0.26 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 1xs6 s LEU 154 CO 0.50 -0.76 0.00 0.00 0.23 0.00 0.00 176.35 176.32 1xs6 n ILE 155 N 4.69 0.00 -3.75 -0.59 0.13 -0.16 -4.88 119.36 114.80 1xs6 n ILE 155 Ca 0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.78 1xs6 n ILE 155 Cb 0.43 0.51 0.00 0.00 -0.84 0.00 0.00 39.64 39.74 1xs6 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs6 n GLY 156 N 2.47 0.55 3.02 4.50 0.00 -1.18 -4.52 105.19 110.03 1xs6 n GLY 156 Ca -0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1xs6 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 s ALA 157 N -1.00 0.07 -0.07 4.61 0.00 0.30 -1.23 121.76 124.43 1xs6 s ALA 157 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1xs6 s ALA 157 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1xs6 s ALA 157 CO 0.00 -0.20 -0.22 -0.51 0.00 0.00 0.00 175.76 174.83 1xs6 s LEU 158 N -1.65 2.25 0.22 0.00 1.43 0.08 -0.51 118.68 120.51 1xs6 s LEU 158 Ca -0.13 -0.45 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1xs6 s LEU 158 Cb -0.07 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1xs6 s LEU 158 CO -0.02 0.24 -0.21 -0.94 0.23 0.00 0.00 176.35 175.66 1xs6 s SER 159 N -0.14 3.31 -0.06 2.29 1.04 -0.74 -1.39 113.70 118.02 1xs6 s SER 159 Ca -0.04 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.46 1xs6 s SER 159 Cb -0.14 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.76 1xs6 s SER 159 CO 0.04 0.04 -0.05 -0.36 0.98 0.00 0.00 173.24 173.89 1xs6 s PHE 160 N -2.16 0.89 -0.20 5.02 0.40 -1.26 -0.58 117.98 120.09 1xs6 s PHE 160 Ca 0.24 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1xs6 s PHE 160 Cb -0.06 -0.80 0.05 0.00 0.51 0.00 0.00 43.02 42.72 1xs6 s PHE 160 CO 0.11 -0.26 -0.07 -2.00 0.70 0.00 0.00 175.22 173.70 1xs6 s GLU 161 N 1.18 1.72 0.38 0.44 2.12 0.21 -1.18 118.70 123.56 1xs6 s GLU 161 Ca -0.07 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.22 1xs6 s GLU 161 Cb -0.14 -2.35 -0.11 0.00 0.26 0.00 0.00 34.13 31.79 1xs6 s GLU 161 CO -0.01 -0.48 1.16 -2.30 -0.54 0.00 0.00 175.26 173.09 1xs6 n PRO 162 N 4.74 1.73 -2.54 4.30 -0.02 -1.26 -1.64 135.00 140.31 1xs6 n PRO 162 Ca -0.13 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 1xs6 n PRO 162 Cb 0.46 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1xs6 n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs6 s LEU 163 N -0.83 3.22 0.55 2.45 1.43 0.36 -4.86 118.68 121.01 1xs6 s LEU 163 Ca 0.60 0.31 0.26 0.00 -1.03 0.00 0.00 54.13 54.27 1xs6 s LEU 163 Cb -0.57 -3.13 1.60 0.00 0.03 0.00 0.00 46.19 44.13 1xs6 s LEU 163 CO 0.59 -1.16 2.18 0.77 0.23 0.00 0.00 176.35 178.97 1xs6 h SER 164 N -0.09 0.00 -0.80 2.29 4.64 -1.95 -3.46 113.55 114.19 1xs6 h SER 164 Ca -0.44 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1xs6 h SER 164 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1xs6 h SER 164 CO 0.57 0.04 0.10 0.61 -0.87 0.00 0.00 176.83 177.28 1xs6 n GLY 165 N -1.21 1.07 3.72 -0.77 0.00 -1.26 -5.13 105.19 101.61 1xs6 n GLY 165 Ca -0.03 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1xs6 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xs6 s PRO 166 N -2.01 4.20 0.28 1.61 0.04 -1.26 -4.54 135.00 133.33 1xs6 s PRO 166 Ca 0.04 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 1xs6 s PRO 166 Cb -0.00 -3.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.24 1xs6 s PRO 166 CO 0.01 -0.64 1.49 0.00 0.04 0.00 0.00 177.00 177.90 1xs6 n ALA 167 N 4.09 1.88 0.14 8.56 0.00 0.62 -4.92 120.51 130.88 1xs6 n ALA 167 Ca 0.14 0.38 0.04 0.00 0.00 0.00 0.00 53.44 54.01 1xs6 n ALA 167 Cb 0.38 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.50 1xs6 n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xs6 h VAL 168 N 3.12 0.61 -2.09 0.00 2.07 -1.93 -3.37 116.25 114.65 1xs6 h VAL 168 Ca -0.46 -1.90 -0.58 0.00 0.82 0.00 0.00 66.70 64.58 1xs6 h VAL 168 Cb 1.25 2.25 -0.40 0.00 -1.52 0.00 0.00 31.29 32.86 1xs6 h VAL 168 CO 0.75 0.35 -0.86 0.54 0.02 0.00 0.00 177.57 178.37 1xs6 n ARG 169 N -3.13 1.62 -1.10 1.57 1.74 -1.26 -5.08 116.66 111.02 1xs6 n ARG 169 Ca 0.01 -3.94 -0.29 0.00 -0.77 0.00 0.00 57.85 52.86 1xs6 n ARG 169 Cb 0.70 -1.73 0.17 0.00 -1.02 0.00 0.00 32.46 30.58 1xs6 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs6 s PRO 170 N -1.87 0.57 0.28 5.56 0.04 -1.26 -4.79 135.00 133.54 1xs6 s PRO 170 Ca 0.38 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 1xs6 s PRO 170 Cb 0.17 -1.74 0.39 0.00 0.04 0.00 0.00 34.50 33.36 1xs6 s PRO 170 CO -0.06 -2.67 1.87 -0.92 0.04 0.00 0.00 177.00 175.26 1xs6 h TYR 171 N -1.86 0.96 0.00 0.56 3.20 -1.49 -2.50 116.97 115.86 1xs6 h TYR 171 Ca -0.53 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.27 1xs6 h TYR 171 Cb 1.31 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1xs6 h TYR 171 CO 0.34 0.72 -0.12 -2.95 -1.64 0.00 0.00 178.16 174.51 1xs6 h ASN 172 N 0.96 0.00 -0.01 -2.11 -1.07 -1.80 -2.99 115.58 108.55 1xs6 h ASN 172 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 1xs6 h ASN 172 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 1xs6 h ASN 172 CO -0.03 0.12 -0.36 0.54 0.07 0.00 0.00 177.43 177.77 1xs6 n ARG 173 N -3.54 1.63 -2.83 4.14 1.74 -0.96 -4.98 116.66 111.85 1xs6 n ARG 173 Ca -0.01 -0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 55.83 1xs6 n ARG 173 Cb 0.25 -1.30 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1xs6 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs6 s ARG 174 N -1.97 4.30 0.31 5.56 3.52 -1.06 -4.96 118.95 124.65 1xs6 s ARG 174 Ca 0.14 1.11 -0.00 0.00 -0.13 0.00 0.00 55.73 56.84 1xs6 s ARG 174 Cb 0.13 -3.59 0.51 0.00 -1.56 0.00 0.00 34.95 30.45 1xs6 s ARG 174 CO 0.43 -0.38 1.97 1.05 -0.81 0.00 0.00 175.30 177.55 1xs6 h GLU 175 N 7.35 1.00 -0.50 5.12 4.11 -1.93 -2.48 114.58 127.25 1xs6 h GLU 175 Ca -0.28 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1xs6 h GLU 175 Cb 1.12 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1xs6 h GLU 175 CO 0.86 0.66 0.00 -0.40 0.07 0.00 0.00 179.01 180.21 1xs6 n ASP 176 N -4.43 4.60 -4.74 3.06 5.75 -1.26 -4.94 116.55 114.58 1xs6 n ASP 176 Ca 0.09 -2.66 -0.41 0.00 -0.01 0.00 0.00 54.79 51.80 1xs6 n ASP 176 Cb 0.07 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 1xs6 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs6 s ALA 177 N -2.22 3.70 -0.05 2.12 0.00 -0.94 -4.95 121.76 119.43 1xs6 s ALA 177 Ca 0.47 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 1xs6 s ALA 177 Cb 0.33 -3.60 -0.26 0.00 0.00 0.00 0.00 23.12 19.59 1xs6 s ALA 177 CO 0.18 -0.84 0.64 0.87 0.00 0.00 0.00 175.76 176.61 1xs6 h LYS 178 N 5.23 0.21 -0.35 0.00 1.57 -1.92 -3.42 116.57 117.88 1xs6 h LYS 178 Ca -0.46 -0.36 -0.19 0.00 -1.87 0.00 0.00 60.65 57.76 1xs6 h LYS 178 Cb 1.22 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.54 1xs6 h LYS 178 CO 0.80 1.03 -0.14 0.66 -0.57 0.00 0.00 179.45 181.24 1xs6 n TYR 179 N -3.39 1.11 -2.02 -1.35 4.02 -1.26 -5.02 117.16 109.26 1xs6 n TYR 179 Ca -0.22 -1.67 -0.35 0.00 -0.01 0.00 0.00 57.90 55.65 1xs6 n TYR 179 Cb 1.05 -0.49 0.03 0.00 -0.02 0.00 0.00 39.34 39.91 1xs6 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs6 s ARG 180 N -3.29 3.02 -1.35 -0.72 0.52 -1.26 -3.71 118.95 112.16 1xs6 s ARG 180 Ca 0.45 1.68 -0.10 0.00 -0.52 0.00 0.00 55.73 57.24 1xs6 s ARG 180 Cb 0.41 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1xs6 s ARG 180 CO -0.01 -1.13 0.46 0.09 0.02 0.00 0.00 175.30 174.72 1xs6 n ASN 181 N -1.70 -1.70 -4.72 0.23 4.13 -1.26 -4.99 115.26 105.26 1xs6 n ASN 181 Ca 0.12 -1.11 -0.35 0.00 1.68 0.00 0.00 54.58 54.92 1xs6 n ASN 181 Cb 0.50 -2.62 -0.08 0.00 -1.54 0.00 0.00 39.78 36.04 1xs6 n ASN 181 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1xs6 s GLN 182 N -6.74 4.03 0.00 3.52 0.74 -1.24 -5.00 119.66 114.97 1xs6 s GLN 182 Ca 0.18 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.34 1xs6 s GLN 182 Cb -0.08 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1xs6 s GLN 182 CO 0.92 0.35 0.00 1.04 -0.55 0.00 0.00 175.29 177.05 1xs6 n GLN 183 N 3.33 0.00 0.00 1.67 6.02 -1.26 -2.99 117.38 124.15 1xs6 n GLN 183 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1xs6 n GLN 183 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 1xs6 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs6 n GLY 184 N 0.00 -0.52 2.65 1.08 0.00 -1.26 -4.47 105.19 102.66 1xs6 n GLY 184 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1xs6 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 n ALA 185 N 2.64 6.05 -2.05 4.61 0.00 -1.26 -4.76 120.51 125.73 1xs6 n ALA 185 Ca 0.00 -3.91 -0.42 0.00 0.00 0.00 0.00 53.44 49.11 1xs6 n ALA 185 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 19.45 16.08 1xs6 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs6 s VAL 186 N 2.08 3.05 0.93 0.00 1.01 -1.26 -4.70 120.40 121.51 1xs6 s VAL 186 Ca 0.51 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 1xs6 s VAL 186 Cb 0.14 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 33.22 1xs6 s VAL 186 CO -0.07 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.17 1xs6 s ALA 187 N 1.44 1.36 0.03 5.51 0.00 -1.26 -4.95 121.76 123.89 1xs6 s ALA 187 Ca 0.68 -0.13 -0.37 0.00 0.00 0.00 0.00 51.96 52.13 1xs6 s ALA 187 Cb -0.39 -3.18 -0.17 0.00 0.00 0.00 0.00 23.12 19.38 1xs6 s ALA 187 CO 0.31 -2.50 1.39 0.45 0.00 0.00 0.00 175.76 175.40 1xs6 n SER 188 N -3.98 1.70 -1.70 0.00 2.88 -1.26 -4.91 113.62 106.35 1xs6 n SER 188 Ca 0.07 1.11 -0.17 0.00 -1.33 0.00 0.00 58.87 58.55 1xs6 n SER 188 Cb 0.56 -1.18 0.14 0.00 -0.75 0.00 0.00 64.21 62.98 1xs6 n SER 188 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xs6 n ARG 189 N 2.88 2.41 0.19 -1.46 1.74 -1.26 -4.76 116.66 116.40 1xs6 n ARG 189 Ca 0.20 -3.40 0.17 0.00 -0.77 0.00 0.00 57.85 54.05 1xs6 n ARG 189 Cb 0.18 -2.05 0.81 0.00 -1.02 0.00 0.00 32.46 30.38 1xs6 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs6 h ILE 190 N 1.24 0.51 0.00 0.55 6.09 -1.95 0.03 117.51 123.98 1xs6 h ILE 190 Ca 0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 1xs6 h ILE 190 Cb 1.62 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.74 1xs6 h ILE 190 CO 0.79 0.00 0.00 -2.24 -3.07 0.00 0.00 178.15 173.63 1xs6 h ASP 191 N 0.00 0.00 0.45 2.19 2.03 -1.86 -1.56 116.42 117.67 1xs6 h ASP 191 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1xs6 h ASP 191 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1xs6 h ASP 191 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1xs6 n LYS 192 N -3.08 0.30 0.00 4.15 5.02 -0.00 -4.76 118.16 119.79 1xs6 n LYS 192 Ca -0.02 0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 1xs6 n LYS 192 Cb 0.15 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.88 1xs6 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63