#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 2.53 0.10 2.12 1.81 -1.26 -3.91 118.95 120.34 1xs6 s ARG 2 Ca 0.00 -0.88 -0.31 0.00 -1.72 0.00 0.00 55.73 52.82 1xs6 s ARG 2 Cb 0.00 -2.51 -0.08 0.00 -0.45 0.00 0.00 34.95 31.91 1xs6 s ARG 2 CO 0.00 0.52 1.46 -0.51 -0.68 0.00 0.00 175.30 176.09 1xs6 s LEU 3 N -2.43 4.36 0.81 2.53 1.43 -0.65 -5.02 118.68 119.71 1xs6 s LEU 3 Ca 0.26 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.63 1xs6 s LEU 3 Cb -0.11 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1xs6 s LEU 3 CO 0.18 -0.72 1.11 0.00 0.23 0.00 0.00 176.35 177.15 1xs6 h ASP 5 N -1.31 -0.93 -0.65 0.00 3.04 0.36 -0.87 116.42 116.06 1xs6 h ASP 5 Ca -0.43 0.27 0.09 0.00 -3.24 0.00 0.00 57.03 53.71 1xs6 h ASP 5 Cb 1.24 0.58 -0.07 0.00 -1.04 0.00 0.00 39.33 40.04 1xs6 h ASP 5 CO 0.49 -0.29 0.29 -0.09 -2.04 0.00 0.00 179.24 177.60 1xs6 h ARG 6 N -0.01 0.50 0.00 4.15 2.43 -1.92 -1.93 114.38 117.59 1xs6 h ARG 6 Ca 0.40 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1xs6 h ARG 6 Cb 0.64 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1xs6 h ARG 6 CO -0.91 0.33 -0.39 -0.44 -1.51 0.00 0.00 179.97 177.05 1xs6 h ASP 7 N 0.52 0.00 -0.32 -3.80 3.32 -1.70 -1.39 116.42 113.04 1xs6 h ASP 7 Ca 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1xs6 h ASP 7 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1xs6 h ASP 7 CO -0.27 0.39 0.14 0.40 -1.72 0.00 0.00 179.24 178.18 1xs6 h ILE 8 N 0.00 1.17 -0.59 0.35 2.04 -0.45 -0.28 117.51 119.75 1xs6 h ILE 8 Ca -0.00 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1xs6 h ILE 8 Cb 0.93 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1xs6 h ILE 8 CO 0.05 0.18 0.28 -0.33 0.00 0.00 0.00 178.15 178.33 1xs6 h GLU 9 N 0.38 0.86 -0.26 2.37 5.08 -1.32 -0.71 114.58 120.97 1xs6 h GLU 9 Ca 0.11 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1xs6 h GLU 9 Cb 0.15 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1xs6 h GLU 9 CO -0.01 0.70 -0.16 0.00 -1.00 0.00 0.00 179.01 178.54 1xs6 h ALA 10 N 1.11 0.03 -0.67 3.43 0.00 -1.17 0.31 119.26 122.31 1xs6 h ALA 10 Ca 0.20 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xs6 h ALA 10 Cb 0.13 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1xs6 h ALA 10 CO -0.02 -0.57 0.23 -1.49 0.00 0.00 0.00 179.25 177.39 1xs6 h TRP 11 N -0.14 1.06 -0.59 0.00 4.06 -0.81 0.66 115.95 120.19 1xs6 h TRP 11 Ca 0.14 -0.10 -0.07 0.00 2.06 0.00 0.00 58.89 60.92 1xs6 h TRP 11 Cb 0.35 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1xs6 h TRP 11 CO -0.34 0.85 0.10 -0.07 -3.56 0.00 0.00 178.44 175.42 1xs6 h LEU 12 N 0.97 0.94 -0.67 -4.49 3.38 -0.89 0.33 115.31 114.87 1xs6 h LEU 12 Ca 0.22 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xs6 h LEU 12 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1xs6 h LEU 12 CO -0.01 0.96 0.11 0.44 0.09 0.00 0.00 178.44 180.03 1xs6 h ASP 13 N 0.88 1.06 0.68 -0.43 3.32 0.08 -2.90 116.42 119.12 1xs6 h ASP 13 Ca 0.18 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xs6 h ASP 13 Cb 0.42 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xs6 h ASP 13 CO 0.01 1.05 -0.39 -0.62 -1.72 0.00 0.00 179.24 177.57 1xs6 n GLU 14 N -4.22 0.04 -1.57 3.56 1.02 0.18 -4.93 120.64 114.72 1xs6 n GLU 14 Ca 0.04 0.02 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xs6 n GLU 14 Cb 0.29 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.48 0.38 0.23 0.62 0.00 0.39 -4.93 105.19 103.34 1xs6 n GLY 15 Ca 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 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 0.46 -4.45 1.61 2.43 -0.77 -3.45 114.38 110.21 1xs6 h ARG 16 Ca -0.00 -0.19 -0.19 0.00 -0.81 0.00 0.00 59.98 58.79 1xs6 h ARG 16 Cb 0.57 -0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 29.95 1xs6 h ARG 16 CO 0.01 0.72 -0.66 -0.48 -1.51 0.00 0.00 179.97 178.04 1xs6 s LEU 17 N -8.57 2.12 -0.02 3.80 0.05 -1.20 -4.10 118.68 110.76 1xs6 s LEU 17 Ca -0.07 -1.12 0.07 0.00 0.05 0.00 0.00 54.13 53.07 1xs6 s LEU 17 Cb 0.13 0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 44.43 1xs6 s LEU 17 CO 0.79 -0.64 -0.23 -0.44 -0.55 0.00 0.00 176.35 175.28 1xs6 s SER 18 N -3.03 2.75 -0.16 1.48 0.01 -0.81 -4.30 113.70 109.64 1xs6 s SER 18 Ca 0.18 -0.42 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 1xs6 s SER 18 Cb 0.07 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1xs6 s SER 18 CO -0.02 0.29 -0.08 -0.63 0.41 0.00 0.00 173.24 173.21 1xs6 s ILE 19 N -0.53 1.25 -0.15 1.44 1.01 -1.26 -1.35 121.20 121.61 1xs6 s ILE 19 Ca 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1xs6 s ILE 19 Cb -0.09 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1xs6 s ILE 19 CO -0.01 0.21 -0.15 0.21 0.00 0.00 0.00 174.94 175.20 1xs6 s ASN 20 N 1.58 2.73 0.67 3.58 2.47 0.57 -1.33 114.94 125.22 1xs6 s ASN 20 Ca 0.01 -0.50 -0.15 0.00 0.42 0.00 0.00 52.86 52.64 1xs6 s ASN 20 Cb -0.15 -1.22 0.01 0.00 -1.45 0.00 0.00 41.25 38.44 1xs6 s ASN 20 CO -0.08 -0.04 1.14 -2.16 -3.72 0.00 0.00 177.10 172.25 1xs6 s PRO 21 N 1.39 2.63 0.03 0.43 0.04 -1.26 0.42 135.00 138.68 1xs6 s PRO 21 Ca 0.03 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1xs6 s PRO 21 Cb -0.13 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1xs6 s PRO 21 CO -0.10 -1.41 1.40 0.50 0.04 0.00 0.00 177.00 177.43 1xs6 s ARG 22 N -3.96 4.30 0.56 4.56 3.52 -0.44 -4.89 118.95 122.59 1xs6 s ARG 22 Ca 0.70 1.99 -0.20 0.00 -0.13 0.00 0.00 55.73 58.09 1xs6 s ARG 22 Cb -0.24 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1xs6 s ARG 22 CO 0.41 -0.53 1.21 -2.14 -0.81 0.00 0.00 175.30 173.45 1xs6 s PRO 23 N 2.03 3.15 0.95 5.12 0.02 -1.26 -5.04 135.00 139.97 1xs6 s PRO 23 Ca 0.64 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 1xs6 s PRO 23 Cb -0.33 -2.05 0.16 0.00 0.02 0.00 0.00 34.50 32.30 1xs6 s PRO 23 CO 0.28 -1.07 1.12 -1.25 -0.33 0.00 0.00 177.00 175.75 1xs6 s PRO 24 N -3.17 0.85 0.56 5.54 0.04 -1.26 -4.90 135.00 132.67 1xs6 s PRO 24 Ca 0.74 0.38 0.25 0.00 0.04 0.00 0.00 61.00 62.41 1xs6 s PRO 24 Cb -0.31 -1.80 1.54 0.00 0.04 0.00 0.00 34.50 33.98 1xs6 s PRO 24 CO 0.35 -2.41 2.11 -0.24 0.04 0.00 0.00 177.00 176.85 1xs6 h VAL 25 N -1.66 0.65 0.00 -0.36 3.04 -1.96 -0.81 116.25 115.15 1xs6 h VAL 25 Ca -0.52 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1xs6 h VAL 25 Cb 1.33 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1xs6 h VAL 25 CO 0.60 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.83 1xs6 h GLU 26 N 0.00 0.00 -0.32 4.17 3.07 -2.03 -2.64 114.58 116.83 1xs6 h GLU 26 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1xs6 h GLU 26 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1xs6 h GLU 26 CO -0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 1xs6 n ARG 27 N -2.41 2.33 -3.93 2.33 5.12 -0.31 -4.85 116.66 114.94 1xs6 n ARG 27 Ca 0.01 -1.96 -0.30 0.00 -1.93 0.00 0.00 57.85 53.67 1xs6 n ARG 27 Cb 0.20 -1.32 -0.15 0.00 -1.16 0.00 0.00 32.46 30.03 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 -1.04 1.54 0.04 0.55 1.01 -0.99 -0.81 121.20 121.49 1xs6 s ILE 28 Ca 0.25 -1.37 -0.24 0.00 0.00 0.00 0.00 60.65 59.29 1xs6 s ILE 28 Cb 0.14 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.78 1xs6 s ILE 28 CO 0.19 -0.22 0.55 0.54 0.00 0.00 0.00 174.94 176.00 1xs6 s ASN 29 N 1.36 -0.49 1.57 3.58 2.20 -0.70 -4.92 114.94 117.54 1xs6 s ASN 29 Ca -0.02 0.26 0.00 0.00 -0.94 0.00 0.00 52.86 52.16 1xs6 s ASN 29 Cb -0.19 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 1xs6 s ASN 29 CO -0.08 -0.72 0.00 0.61 -2.94 0.00 0.00 177.10 173.97 1xs6 n GLY 30 N 0.45 1.36 0.18 0.45 0.00 -1.26 -1.50 105.19 104.86 1xs6 n GLY 30 Ca -0.18 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 8.78 2.15 -2.54 4.61 0.00 -1.26 1.00 120.51 133.25 1xs6 n ALA 31 Ca 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 53.44 51.30 1xs6 n ALA 31 Cb 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.94 0.27 -0.19 0.00 -4.23 -0.56 -4.38 115.64 104.60 1xs6 s THR 32 Ca 0.21 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1xs6 s THR 32 Cb 0.18 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1xs6 s THR 32 CO 0.02 -0.72 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.57 1xs6 s VAL 33 N -2.63 2.77 0.38 2.29 1.01 -0.42 -1.71 120.40 122.09 1xs6 s VAL 33 Ca -0.03 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 1xs6 s VAL 33 Cb -0.01 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 1xs6 s VAL 33 CO -0.05 0.49 1.20 -1.81 0.00 0.00 0.00 175.10 174.93 1xs6 s ASP 34 N 1.21 6.58 0.31 3.32 1.01 0.01 -0.85 116.67 128.26 1xs6 s ASP 34 Ca 0.02 2.42 0.10 0.00 0.71 0.00 0.00 52.55 55.80 1xs6 s ASP 34 Cb -0.14 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1xs6 s ASP 34 CO -0.05 -0.64 -0.05 0.68 0.21 0.00 0.00 175.17 175.32 1xs6 s VAL 35 N -1.34 2.71 0.29 -1.27 -7.23 -0.13 -4.90 120.40 108.54 1xs6 s VAL 35 Ca 0.55 -2.08 0.10 0.00 -1.81 0.00 0.00 61.98 58.74 1xs6 s VAL 35 Cb -0.33 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 1xs6 s VAL 35 CO 0.42 -0.28 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.65 1xs6 s ARG 36 N -3.65 1.65 0.21 4.82 0.52 -1.26 -1.05 118.95 120.19 1xs6 s ARG 36 Ca 0.33 -1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 53.45 1xs6 s ARG 36 Cb -0.02 -1.59 -0.08 0.00 0.52 0.00 0.00 34.95 33.78 1xs6 s ARG 36 CO 0.18 0.22 1.00 -1.17 0.02 0.00 0.00 175.30 175.55 1xs6 s LEU 37 N -3.50 4.58 0.00 2.53 2.96 0.08 -0.90 118.68 124.42 1xs6 s LEU 37 Ca 0.30 2.00 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1xs6 s LEU 37 Cb -0.01 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1xs6 s LEU 37 CO 0.14 0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 1xs6 n GLY 38 N 1.67 -0.44 0.43 7.98 0.00 0.13 -0.27 105.19 114.70 1xs6 n GLY 38 Ca -0.00 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.87 2.65 -4.49 1.61 0.23 -1.26 -4.23 115.26 107.89 1xs6 n ASN 39 Ca 0.00 -2.05 -0.34 0.00 -0.53 0.00 0.00 54.58 51.67 1xs6 n ASN 39 Cb 0.00 -0.17 -0.12 0.00 -2.08 0.00 0.00 39.78 37.41 1xs6 n ASN 39 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xs6 s LYS 40 N -1.09 3.39 0.06 -3.83 1.02 -1.26 -1.33 119.74 116.70 1xs6 s LYS 40 Ca 0.16 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1xs6 s LYS 40 Cb 0.09 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1xs6 s LYS 40 CO 0.10 0.34 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.76 1xs6 s PHE 41 N 0.06 0.62 0.01 3.18 0.40 -0.35 -3.46 117.98 118.44 1xs6 s PHE 41 Ca -0.02 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1xs6 s PHE 41 Cb -0.14 -0.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 1xs6 s PHE 41 CO 0.03 -0.20 -0.08 1.03 0.70 0.00 0.00 175.22 176.70 1xs6 s ARG 42 N -2.80 0.63 0.32 0.44 0.52 0.44 -0.10 118.95 118.39 1xs6 s ARG 42 Ca -0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1xs6 s ARG 42 Cb -0.01 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.89 1xs6 s ARG 42 CO -0.04 0.15 0.01 0.25 0.02 0.00 0.00 175.30 175.69 1xs6 n THR 43 N 2.53 0.00 -5.17 0.02 -2.24 -1.26 -0.74 114.28 107.42 1xs6 n THR 43 Ca -0.15 -1.51 -0.31 0.00 -2.27 0.00 0.00 64.05 59.80 1xs6 n THR 43 Cb 0.57 0.29 -0.17 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.15 2.37 -0.93 4.78 0.40 -1.26 -0.92 117.98 120.28 1xs6 s PHE 44 Ca 0.01 -0.84 -0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1xs6 s PHE 44 Cb -0.00 -1.58 0.23 0.00 0.51 0.00 0.00 43.02 42.18 1xs6 s PHE 44 CO 0.00 -0.31 0.85 0.54 0.70 0.00 0.00 175.22 177.01 1xs6 n ARG 45 N 3.26 2.81 0.26 0.44 1.74 0.46 -4.91 116.66 120.72 1xs6 n ARG 45 Ca -0.18 -4.49 0.13 0.00 -0.77 0.00 0.00 57.85 52.54 1xs6 n ARG 45 Cb 0.52 -2.43 0.72 0.00 -1.02 0.00 0.00 32.46 30.26 1xs6 n ARG 45 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xs6 h GLY 46 N 5.99 0.00 1.94 -0.13 0.00 -1.92 -2.75 103.07 106.21 1xs6 h GLY 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1xs6 h GLY 46 CO 0.89 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 175.04 1xs6 n HIS 47 N -3.60 0.00 1.00 5.60 1.44 -1.26 -2.52 115.22 115.89 1xs6 n HIS 47 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 1xs6 n HIS 47 Cb 0.24 -0.47 0.09 0.00 0.12 0.00 0.00 29.99 29.97 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 -1.47 0.00 -3.85 0.61 -2.24 -1.04 -4.95 114.28 101.35 1xs6 n THR 48 Ca 0.02 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1xs6 n THR 48 Cb 0.09 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.99 -0.39 0.06 6.98 0.00 -1.05 -4.91 121.76 119.47 1xs6 s ALA 49 Ca 0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 1xs6 s ALA 49 Cb 0.17 0.19 -0.27 0.00 0.00 0.00 0.00 23.12 23.20 1xs6 s ALA 49 CO 0.77 -0.29 1.13 0.00 0.00 0.00 0.00 175.76 177.37 1xs6 h ALA 50 N 3.83 0.03 -2.39 0.00 0.00 -1.93 -3.47 119.26 115.33 1xs6 h ALA 50 Ca -0.31 -0.76 0.17 0.00 0.00 0.00 0.00 54.91 54.01 1xs6 h ALA 50 Cb 1.19 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1xs6 h ALA 50 CO 0.44 0.70 0.50 -0.59 0.00 0.00 0.00 179.25 180.30 1xs6 s PHE 51 N -3.06 -0.08 -0.24 0.00 -0.12 -1.26 -5.14 117.98 108.08 1xs6 s PHE 51 Ca -0.09 -0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 56.50 1xs6 s PHE 51 Cb 0.06 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 43.11 1xs6 s PHE 51 CO 0.93 -0.87 -0.04 0.42 -0.05 0.00 0.00 175.22 175.61 1xs6 s ILE 52 N -3.05 3.23 -0.91 -4.49 -1.09 -1.26 -5.04 121.20 108.59 1xs6 s ILE 52 Ca 0.14 -0.70 -0.24 0.00 -2.23 0.00 0.00 60.65 57.62 1xs6 s ILE 52 Cb -0.02 -2.54 0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1xs6 s ILE 52 CO 0.03 0.32 1.37 -0.62 -1.23 0.00 0.00 174.94 174.80 1xs6 s ASP 53 N 1.43 6.38 0.27 3.58 -1.08 -1.26 -4.91 116.67 121.07 1xs6 s ASP 53 Ca 0.04 -1.13 -0.01 0.00 -0.52 0.00 0.00 52.55 50.93 1xs6 s ASP 53 Cb -0.15 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.32 1xs6 s ASP 53 CO -0.03 -1.60 1.74 -0.07 0.52 0.00 0.00 175.17 175.73 1xs6 h LEU 54 N 12.73 0.42 -3.14 -1.34 3.38 -1.98 -1.41 115.31 123.97 1xs6 h LEU 54 Ca 0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xs6 h LEU 54 Cb 1.03 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xs6 h LEU 54 CO 1.36 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 178.49 1xs6 n SER 55 N -4.94 3.42 -2.79 -0.43 3.41 -1.26 -4.77 113.62 106.26 1xs6 n SER 55 Ca 0.18 -2.76 -0.09 0.00 -0.26 0.00 0.00 58.87 55.94 1xs6 n SER 55 Cb 0.48 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1xs6 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs6 n GLY 56 N -0.38 -2.28 3.68 5.00 0.00 -0.53 -4.92 105.19 105.75 1xs6 n GLY 56 Ca 0.18 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.25 1xs6 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs6 n PRO 57 N -2.42 2.55 -0.07 1.61 -0.02 -1.26 -4.82 135.00 130.57 1xs6 n PRO 57 Ca 0.05 0.93 -0.02 0.00 -2.02 0.00 0.00 63.50 62.44 1xs6 n PRO 57 Cb 0.19 -2.79 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 1xs6 n PRO 57 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xs6 n LYS 58 N 5.53 -0.07 0.09 -0.52 4.81 -1.26 -1.39 118.16 125.35 1xs6 n LYS 58 Ca 0.19 0.26 -0.06 0.00 -0.87 0.00 0.00 58.31 57.82 1xs6 n LYS 58 Cb 0.34 -0.38 0.04 0.00 0.02 0.00 0.00 35.03 35.05 1xs6 n LYS 58 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1xs6 h ASP 59 N 0.00 0.19 0.16 3.14 3.32 -1.92 0.32 116.42 121.63 1xs6 h ASP 59 Ca 0.02 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1xs6 h ASP 59 Cb 0.06 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1xs6 h ASP 59 CO -0.15 0.90 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.86 1xs6 h GLU 60 N 0.09 -0.21 0.06 3.56 5.08 -1.71 -1.40 114.58 120.05 1xs6 h GLU 60 Ca -0.03 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1xs6 h GLU 60 Cb 1.38 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1xs6 h GLU 60 CO 0.12 -0.07 -0.12 0.28 -1.00 0.00 0.00 179.01 178.21 1xs6 h VAL 61 N -0.30 0.70 -0.20 3.13 2.07 -0.61 -1.53 116.25 119.51 1xs6 h VAL 61 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1xs6 h VAL 61 Cb 0.24 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1xs6 h VAL 61 CO 0.04 0.00 -0.12 -1.28 0.02 0.00 0.00 177.57 176.22 1xs6 h SER 62 N -0.24 -0.40 -0.61 0.57 0.87 -0.43 -1.57 113.55 111.75 1xs6 h SER 62 Ca 0.03 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1xs6 h SER 62 Cb 0.26 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1xs6 h SER 62 CO -0.08 -0.16 0.36 0.00 -0.53 0.00 0.00 176.83 176.41 1xs6 h ALA 63 N 1.03 0.78 -0.83 6.23 0.00 -0.99 -0.73 119.26 124.76 1xs6 h ALA 63 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xs6 h ALA 63 Cb 0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xs6 h ALA 63 CO -0.27 0.27 0.54 0.00 0.00 0.00 0.00 179.25 179.80 1xs6 h ALA 64 N 1.17 1.06 -0.35 0.00 0.00 -1.11 -0.85 119.26 119.18 1xs6 h ALA 64 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xs6 h ALA 64 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xs6 h ALA 64 CO -0.04 0.44 0.08 -0.07 0.00 0.00 0.00 179.25 179.66 1xs6 h LEU 65 N 1.10 0.54 -1.24 0.00 3.38 -0.73 -0.13 115.31 118.24 1xs6 h LEU 65 Ca 0.31 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1xs6 h LEU 65 Cb -0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1xs6 h LEU 65 CO -0.08 0.64 -0.31 0.44 0.09 0.00 0.00 178.44 179.22 1xs6 h ASP 66 N 0.42 0.11 -0.18 -0.43 3.32 -0.89 -0.84 116.42 117.94 1xs6 h ASP 66 Ca 0.11 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1xs6 h ASP 66 Cb 0.31 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xs6 h ASP 66 CO 0.00 0.43 -0.04 0.03 -1.72 0.00 0.00 179.24 177.94 1xs6 h ARG 67 N 0.10 0.35 0.02 3.56 3.08 -0.90 -3.36 114.38 117.23 1xs6 h ARG 67 Ca 0.01 -0.13 -0.23 0.00 0.07 0.00 0.00 59.98 59.71 1xs6 h ARG 67 Cb 0.61 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1xs6 h ARG 67 CO 0.04 0.60 -1.10 -0.39 -1.07 0.00 0.00 179.97 178.05 1xs6 h VAL 68 N 0.06 1.61 -3.50 2.04 -1.51 -0.74 -3.44 116.25 110.77 1xs6 h VAL 68 Ca 0.05 -3.30 -0.53 0.00 -1.23 0.00 0.00 66.70 61.69 1xs6 h VAL 68 Cb 0.47 2.83 -0.02 0.00 -2.13 0.00 0.00 31.29 32.44 1xs6 h VAL 68 CO 0.02 0.93 0.37 -0.04 -1.23 0.00 0.00 177.57 177.62 1xs6 s MET 69 N -2.69 4.64 0.92 5.19 -1.94 -0.34 0.17 119.30 125.24 1xs6 s MET 69 Ca -0.00 1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 55.32 1xs6 s MET 69 Cb 0.09 -3.40 0.14 0.00 2.01 0.00 0.00 34.83 33.67 1xs6 s MET 69 CO 0.83 0.10 1.09 -1.54 -0.01 0.00 0.00 175.02 175.49 1xs6 s SER 70 N 0.38 3.20 0.73 3.03 1.04 -0.10 -4.85 113.70 117.13 1xs6 s SER 70 Ca 0.49 1.61 -0.15 0.00 0.48 0.00 0.00 55.95 58.39 1xs6 s SER 70 Cb -0.23 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1xs6 s SER 70 CO 0.29 -2.83 1.18 -1.81 0.98 0.00 0.00 173.24 171.05 1xs6 s ASP 71 N -3.21 4.30 0.20 7.02 1.01 -1.26 -4.72 116.67 120.01 1xs6 s ASP 71 Ca 0.64 2.25 -0.31 0.00 0.71 0.00 0.00 52.55 55.84 1xs6 s ASP 71 Cb -0.19 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.05 1xs6 s ASP 71 CO 0.58 -2.18 1.63 -0.70 0.21 0.00 0.00 175.17 174.70 1xs6 s GLU 72 N -4.03 4.17 -0.23 8.23 2.12 -1.26 -4.71 118.70 122.98 1xs6 s GLU 72 Ca 0.72 2.48 -0.12 0.00 0.36 0.00 0.00 54.97 58.42 1xs6 s GLU 72 Cb -0.27 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1xs6 s GLU 72 CO 0.46 -0.66 0.22 0.42 -0.54 0.00 0.00 175.26 175.16 1xs6 s ILE 73 N 0.95 5.32 -0.23 -3.70 1.01 0.86 -4.94 121.20 120.47 1xs6 s ILE 73 Ca 0.71 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.60 1xs6 s ILE 73 Cb -0.47 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1xs6 s ILE 73 CO 0.34 0.32 0.00 -0.69 0.00 0.00 0.00 174.94 174.91 1xs6 s VAL 74 N 1.17 3.76 -0.12 2.92 1.01 -1.26 -1.21 120.40 126.66 1xs6 s VAL 74 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1xs6 s VAL 74 Cb -0.14 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1xs6 s VAL 74 CO 0.06 0.39 0.14 -0.76 0.00 0.00 0.00 175.10 174.93 1xs6 s LEU 75 N 1.50 4.38 0.89 3.92 1.43 -0.44 -5.05 118.68 125.31 1xs6 s LEU 75 Ca 0.06 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1xs6 s LEU 75 Cb -0.15 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.13 1xs6 s LEU 75 CO -0.00 0.40 1.10 -1.81 0.23 0.00 0.00 176.35 176.26 1xs6 s ASP 76 N -0.95 3.46 -0.18 2.29 1.01 -1.26 -4.89 116.67 116.16 1xs6 s ASP 76 Ca 0.15 1.72 -0.38 0.00 0.71 0.00 0.00 52.55 54.74 1xs6 s ASP 76 Cb -0.12 -2.36 -0.18 0.00 1.01 0.00 0.00 42.92 41.28 1xs6 s ASP 76 CO 0.04 -2.68 1.14 1.21 0.21 0.00 0.00 175.17 175.09 1xs6 n GLU 77 N -3.93 0.00 -1.32 8.23 2.13 -1.26 -1.94 120.64 122.56 1xs6 n GLU 77 Ca 0.08 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.79 1xs6 n GLU 77 Cb 0.54 -1.33 -0.04 0.00 0.27 0.00 0.00 31.44 30.87 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 2.25 1.18 3.88 8.31 0.00 -1.26 -5.01 105.19 114.54 1xs6 n GLY 78 Ca 0.22 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.92 3.31 0.03 1.61 2.12 -0.82 -5.11 118.70 116.92 1xs6 s GLU 79 Ca 0.00 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.89 1xs6 s GLU 79 Cb 0.00 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1xs6 s GLU 79 CO 0.00 0.61 -0.01 0.00 -0.54 0.00 0.00 175.26 175.32 1xs6 s ALA 80 N -1.44 3.24 -0.26 6.30 0.00 -1.26 -4.27 121.76 124.07 1xs6 s ALA 80 Ca 0.32 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1xs6 s ALA 80 Cb -0.13 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1xs6 s ALA 80 CO 0.24 0.66 0.08 0.12 0.00 0.00 0.00 175.76 176.87 1xs6 s PHE 81 N -1.15 3.10 -0.56 0.00 5.36 0.60 -4.94 117.98 120.40 1xs6 s PHE 81 Ca 0.21 -0.42 -0.22 0.00 -0.96 0.00 0.00 56.93 55.55 1xs6 s PHE 81 Cb -0.12 -2.26 0.06 0.00 -0.34 0.00 0.00 43.02 40.37 1xs6 s PHE 81 CO 0.13 -0.36 0.81 0.71 -1.46 0.00 0.00 175.22 175.04 1xs6 s TYR 82 N 1.62 2.88 -0.57 10.12 1.51 -1.26 -0.35 117.35 131.30 1xs6 s TYR 82 Ca 0.06 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.48 1xs6 s TYR 82 Cb -0.15 -3.91 0.04 0.00 -0.11 0.00 0.00 41.96 37.83 1xs6 s TYR 82 CO 0.04 -1.28 1.05 -1.17 -1.11 0.00 0.00 175.55 173.08 1xs6 s LEU 83 N 3.37 3.83 0.39 -1.29 2.96 0.40 -4.92 118.68 123.42 1xs6 s LEU 83 Ca 0.22 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1xs6 s LEU 83 Cb -0.17 -2.92 -0.07 0.00 0.50 0.00 0.00 46.19 43.53 1xs6 s LEU 83 CO 0.14 -1.35 0.76 -1.00 -1.32 0.00 0.00 176.35 173.58 1xs6 s HIS 84 N 4.40 3.45 0.24 5.38 3.76 -1.26 -1.39 115.29 129.87 1xs6 s HIS 84 Ca 0.35 1.08 -0.31 0.00 -0.15 0.00 0.00 55.06 56.03 1xs6 s HIS 84 Cb -0.11 -2.46 -0.14 0.00 1.11 0.00 0.00 32.58 30.98 1xs6 s HIS 84 CO 0.21 -0.07 1.30 -2.30 -0.85 0.00 0.00 174.74 173.03 1xs6 n PRO 85 N -1.11 1.77 -0.74 8.40 -0.02 -1.26 -2.38 135.00 139.65 1xs6 n PRO 85 Ca 0.03 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1xs6 n PRO 85 Cb 0.54 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.90 0.90 3.05 -1.23 0.00 -0.26 -5.01 105.19 104.53 1xs6 n GLY 86 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.24 2.11 0.48 1.61 0.41 -1.00 -4.96 118.70 117.11 1xs6 s GLU 87 Ca 0.00 -2.31 -0.24 0.00 -0.41 0.00 0.00 54.97 52.01 1xs6 s GLU 87 Cb 0.00 -3.50 -0.07 0.00 -1.78 0.00 0.00 34.13 28.78 1xs6 s GLU 87 CO 0.00 -1.10 1.34 -1.17 -0.49 0.00 0.00 175.26 173.84 1xs6 s LEU 88 N 0.26 4.01 -0.00 1.80 2.96 -1.26 -4.70 118.68 121.74 1xs6 s LEU 88 Ca 0.14 2.72 -0.13 0.00 -0.22 0.00 0.00 54.13 56.64 1xs6 s LEU 88 Cb -0.22 -4.12 0.02 0.00 0.50 0.00 0.00 46.19 42.37 1xs6 s LEU 88 CO -0.03 -1.25 0.26 0.00 -1.32 0.00 0.00 176.35 174.01 1xs6 s ALA 89 N -1.31 -0.65 -0.01 5.97 0.00 -0.65 -4.70 121.76 120.41 1xs6 s ALA 89 Ca 0.65 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 1xs6 s ALA 89 Cb -0.39 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1xs6 s ALA 89 CO 0.48 -0.26 0.12 -0.51 0.00 0.00 0.00 175.76 175.59 1xs6 s LEU 90 N -1.44 4.10 0.00 0.00 1.43 0.09 -0.95 118.68 121.92 1xs6 s LEU 90 Ca -0.13 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xs6 s LEU 90 Cb -0.05 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1xs6 s LEU 90 CO 0.03 0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.88 1xs6 n ALA 91 N 1.14 0.00 -3.35 4.21 0.00 -0.13 -0.42 120.51 121.95 1xs6 n ALA 91 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1xs6 n ALA 91 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.17 0.03 0.41 0.00 0.11 -1.22 -1.61 120.40 116.94 1xs6 s VAL 92 Ca 0.00 -0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 58.58 1xs6 s VAL 92 Cb 0.00 -0.90 -0.08 0.00 -1.53 0.00 0.00 36.38 33.86 1xs6 s VAL 92 CO 0.00 -0.13 1.10 0.42 -3.33 0.00 0.00 175.10 173.16 1xs6 s THR 93 N -1.80 3.46 0.17 5.04 -4.23 0.23 0.20 115.64 118.71 1xs6 s THR 93 Ca -0.09 1.14 -0.14 0.00 -1.18 0.00 0.00 61.69 61.42 1xs6 s THR 93 Cb -0.01 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.29 1xs6 s THR 93 CO 0.03 0.03 1.79 0.25 -0.54 0.00 0.00 174.62 176.18 1xs6 h LEU 94 N 2.45 0.37 -9.82 4.79 5.85 -1.17 -3.39 115.31 114.40 1xs6 h LEU 94 Ca -0.49 0.02 -0.49 0.00 0.84 0.00 0.00 57.88 57.76 1xs6 h LEU 94 Cb 1.23 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1xs6 h LEU 94 CO 0.62 0.26 0.42 -1.61 -0.34 0.00 0.00 178.44 177.79 1xs6 s GLU 95 N -6.14 4.64 0.10 1.25 8.01 -1.26 -4.73 118.70 120.57 1xs6 s GLU 95 Ca -0.13 1.64 -0.19 0.00 0.01 0.00 0.00 54.97 56.30 1xs6 s GLU 95 Cb 0.13 -3.10 -0.07 0.00 -4.31 0.00 0.00 34.13 26.78 1xs6 s GLU 95 CO 0.73 0.26 0.60 0.45 0.01 0.00 0.00 175.26 177.31 1xs6 s SER 96 N -1.11 7.06 -0.07 -0.19 0.15 0.17 -4.17 113.70 115.54 1xs6 s SER 96 Ca 0.46 1.29 0.05 0.00 0.70 0.00 0.00 55.95 58.44 1xs6 s SER 96 Cb -0.28 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1xs6 s SER 96 CO 0.35 0.23 -0.23 -0.69 1.20 0.00 0.00 173.24 174.10 1xs6 s VAL 97 N -1.20 1.96 -0.12 4.45 1.01 -0.18 -0.31 120.40 126.01 1xs6 s VAL 97 Ca 0.32 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1xs6 s VAL 97 Cb -0.19 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1xs6 s VAL 97 CO 0.20 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.75 1xs6 s THR 98 N 0.06 1.90 -0.01 3.92 2.01 -0.45 -0.65 115.64 122.41 1xs6 s THR 98 Ca -0.09 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1xs6 s THR 98 Cb -0.15 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1xs6 s THR 98 CO 0.05 0.52 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.55 1xs6 s LEU 99 N 0.73 2.49 1.12 4.42 1.43 -0.05 -1.92 118.68 126.90 1xs6 s LEU 99 Ca -0.10 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1xs6 s LEU 99 Cb -0.16 -1.47 0.27 0.00 0.03 0.00 0.00 46.19 44.86 1xs6 s LEU 99 CO 0.01 0.30 1.24 -2.16 0.23 0.00 0.00 176.35 175.97 1xs6 s PRO 100 N -0.98 -0.62 0.15 1.29 0.04 -1.26 -1.96 135.00 131.66 1xs6 s PRO 100 Ca 0.12 -0.38 0.26 0.00 0.04 0.00 0.00 61.00 61.04 1xs6 s PRO 100 Cb -0.10 -1.70 0.94 0.00 0.04 0.00 0.00 34.50 33.68 1xs6 s PRO 100 CO 0.02 -3.26 1.80 0.00 0.04 0.00 0.00 177.00 175.60 1xs6 n ALA 101 N -4.37 2.23 -1.06 8.56 0.00 -1.26 -2.66 120.51 121.95 1xs6 n ALA 101 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.60 1xs6 n ALA 101 Cb 0.59 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.03 4.23 -3.80 0.00 5.75 -1.26 -0.54 116.55 118.90 1xs6 n ASP 102 Ca 0.06 -3.16 -0.13 0.00 -0.01 0.00 0.00 54.79 51.55 1xs6 n ASP 102 Cb 0.38 -0.63 -0.12 0.00 -1.03 0.00 0.00 41.12 39.72 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 1.24 0.04 -2.12 2.96 -1.21 -0.44 118.68 116.23 1xs6 s LEU 103 Ca 0.48 0.37 0.08 0.00 -0.22 0.00 0.00 54.13 54.83 1xs6 s LEU 103 Cb 0.39 0.61 -0.03 0.00 0.50 0.00 0.00 46.19 47.65 1xs6 s LEU 103 CO 0.10 -0.07 -0.21 0.54 -1.32 0.00 0.00 176.35 175.39 1xs6 s VAL 104 N 0.22 2.59 0.04 1.68 0.11 -0.51 -3.22 120.40 121.30 1xs6 s VAL 104 Ca -0.01 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 57.87 1xs6 s VAL 104 Cb -0.02 -2.06 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 1xs6 s VAL 104 CO -0.01 0.35 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.14 1xs6 s GLY 105 N -1.35 1.63 -0.08 6.54 0.00 -0.25 0.13 107.32 113.94 1xs6 s GLY 105 Ca 0.14 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1xs6 s GLY 105 CO 0.04 -1.06 -0.11 -0.98 0.00 0.00 0.00 173.10 170.98 1xs6 s TRP 106 N -0.97 1.52 -0.13 1.90 0.52 -0.50 0.38 118.94 121.66 1xs6 s TRP 106 Ca 0.16 -0.63 -0.22 0.00 0.02 0.00 0.00 56.10 55.43 1xs6 s TRP 106 Cb -0.11 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 1xs6 s TRP 106 CO 0.06 -0.36 0.65 -1.17 0.02 0.00 0.00 176.95 176.16 1xs6 s LEU 107 N 0.96 4.24 0.19 2.99 2.96 0.12 -1.96 118.68 128.18 1xs6 s LEU 107 Ca -0.09 1.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 1xs6 s LEU 107 Cb -0.15 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1xs6 s LEU 107 CO 0.00 -0.17 0.11 -1.81 -1.32 0.00 0.00 176.35 173.16 1xs6 s ASP 108 N 0.93 5.32 0.00 3.68 1.01 0.72 -4.87 116.67 123.46 1xs6 s ASP 108 Ca 0.33 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.36 1xs6 s ASP 108 Cb -0.17 -1.32 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1xs6 s ASP 108 CO 0.14 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.18 1xs6 n GLY 109 N -0.48 0.97 2.96 0.21 0.00 -1.26 -1.16 105.19 106.43 1xs6 n GLY 109 Ca -0.08 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 0.51 0.11 0.39 1.61 0.52 -1.26 -3.84 118.95 116.99 1xs6 s ARG 110 Ca 0.00 0.18 0.14 0.00 -0.52 0.00 0.00 55.73 55.53 1xs6 s ARG 110 Cb 0.00 0.01 0.98 0.00 0.52 0.00 0.00 34.95 36.46 1xs6 s ARG 110 CO 0.00 -0.04 1.86 1.03 0.02 0.00 0.00 175.30 178.17 1xs6 h SER 111 N 6.24 0.50 0.86 0.23 0.87 -1.99 0.18 113.55 120.44 1xs6 h SER 111 Ca -0.28 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.26 1xs6 h SER 111 Cb 1.19 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1xs6 h SER 111 CO 0.44 0.22 -0.27 0.28 -0.53 0.00 0.00 176.83 176.97 1xs6 h SER 112 N 0.51 0.00 0.17 6.23 0.02 -1.98 -1.13 113.55 117.38 1xs6 h SER 112 Ca 0.45 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.06 1xs6 h SER 112 Cb 0.97 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.52 1xs6 h SER 112 CO -0.19 0.27 -1.73 -0.07 -1.14 0.00 0.00 176.83 173.98 1xs6 h LEU 113 N 0.00 0.57 -0.86 5.07 3.38 -1.69 -3.34 115.31 118.45 1xs6 h LEU 113 Ca -0.00 -0.93 0.14 0.00 0.09 0.00 0.00 57.88 57.18 1xs6 h LEU 113 Cb 0.78 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1xs6 h LEU 113 CO 0.04 1.77 0.45 0.00 0.09 0.00 0.00 178.44 180.79 1xs6 h ALA 114 N 0.08 1.29 0.00 1.53 0.00 -0.49 -0.67 119.26 121.00 1xs6 h ALA 114 Ca -0.35 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xs6 h ALA 114 Cb 2.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1xs6 h ALA 114 CO 0.15 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.88 1xs6 n ARG 115 N -4.85 0.72 0.00 0.00 1.74 -0.44 -1.40 116.66 112.42 1xs6 n ARG 115 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1xs6 n ARG 115 Cb 0.42 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.94 1.59 0.00 0.55 4.77 -0.49 -5.02 117.00 117.46 1xs6 n LEU 116 Ca 0.15 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1xs6 n LEU 116 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xs6 n LEU 116 CO 0.11 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1xs6 n GLY 117 N -0.35 0.58 3.60 -0.72 0.00 -0.49 -4.07 105.19 103.74 1xs6 n GLY 117 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 3.87 -0.02 0.99 2.96 -0.38 -0.72 118.68 125.38 1xs6 s LEU 118 Ca 0.00 0.48 -0.22 0.00 -0.22 0.00 0.00 54.13 54.18 1xs6 s LEU 118 Cb 0.00 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1xs6 s LEU 118 CO 0.00 -1.04 0.63 -0.04 -1.32 0.00 0.00 176.35 174.58 1xs6 s MET 119 N 3.90 4.37 0.00 1.98 -1.94 -0.12 -4.03 119.30 123.46 1xs6 s MET 119 Ca 0.42 0.79 0.19 0.00 -1.71 0.00 0.00 55.69 55.37 1xs6 s MET 119 Cb -0.10 -3.37 0.03 0.00 2.01 0.00 0.00 34.83 33.40 1xs6 s MET 119 CO 0.25 0.28 0.98 1.33 -0.01 0.00 0.00 175.02 177.85 1xs6 n VAL 120 N 3.02 0.00 -3.86 -6.03 0.24 -1.26 -1.92 118.33 108.51 1xs6 n VAL 120 Ca -0.05 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.80 1xs6 n VAL 120 Cb 0.51 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 34.08 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 -1.99 0.18 -0.63 6.34 -3.43 -1.18 -3.62 115.29 110.95 1xs6 s HIS 121 Ca 0.17 -0.55 0.05 0.00 -0.80 0.00 0.00 55.06 53.93 1xs6 s HIS 121 Cb 0.15 0.05 0.15 0.00 -1.43 0.00 0.00 32.58 31.50 1xs6 s HIS 121 CO 0.41 -0.70 0.40 0.08 -2.00 0.00 0.00 174.74 172.94 1xs6 s VAL 122 N -3.90 2.76 -1.23 -5.38 1.01 -1.26 -4.82 120.40 107.57 1xs6 s VAL 122 Ca 0.11 -3.91 -0.06 0.00 0.00 0.00 0.00 61.98 58.12 1xs6 s VAL 122 Cb 0.03 -2.85 0.06 0.00 0.00 0.00 0.00 36.38 33.62 1xs6 s VAL 122 CO -0.05 -0.93 0.16 0.35 0.00 0.00 0.00 175.10 174.63 1xs6 n THR 123 N 2.40 -0.47 -3.35 3.92 -2.24 -1.26 -4.93 114.28 108.36 1xs6 n THR 123 Ca 0.14 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1xs6 n THR 123 Cb 0.34 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.53 -0.90 -0.00 6.98 0.00 -1.26 -5.03 121.76 118.02 1xs6 s ALA 124 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1xs6 s ALA 124 Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1xs6 s ALA 124 CO 0.74 -1.63 0.72 -2.39 0.00 0.00 0.00 175.76 173.20 1xs6 n HIS 125 N 5.34 0.00 -3.18 0.00 -0.00 -1.26 -4.88 115.22 111.24 1xs6 n HIS 125 Ca -0.01 -0.21 -0.39 0.00 -0.00 0.00 0.00 57.72 57.11 1xs6 n HIS 125 Cb 0.48 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.99 30.40 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 -0.44 4.35 -0.27 -1.40 3.52 -1.26 -0.71 118.95 122.74 1xs6 s ARG 126 Ca 0.01 0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 56.31 1xs6 s ARG 126 Cb 0.01 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1xs6 s ARG 126 CO 0.00 0.27 0.01 0.42 -0.81 0.00 0.00 175.30 175.19 1xs6 s ILE 127 N 0.13 3.37 0.62 4.11 -1.09 0.16 -4.98 121.20 123.52 1xs6 s ILE 127 Ca 0.32 -0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 57.70 1xs6 s ILE 127 Cb -0.18 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 1xs6 s ILE 127 CO 0.17 0.12 1.04 -1.81 -1.23 0.00 0.00 174.94 173.22 1xs6 s ASP 128 N 1.40 5.91 0.23 3.58 1.01 -1.26 -1.09 116.67 126.44 1xs6 s ASP 128 Ca 0.01 1.60 -0.32 0.00 0.71 0.00 0.00 52.55 54.55 1xs6 s ASP 128 Cb -0.17 -2.50 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 1xs6 s ASP 128 CO -0.01 -1.08 1.64 -0.81 0.21 0.00 0.00 175.17 175.11 1xs6 n PRO 129 N -2.54 2.60 -0.07 8.23 -0.04 -1.20 -1.76 135.00 140.22 1xs6 n PRO 129 Ca 0.07 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1xs6 n PRO 129 Cb 0.54 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1xs6 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs6 n GLY 130 N 3.16 1.31 3.66 0.55 0.00 -0.83 -0.17 105.19 112.87 1xs6 n GLY 130 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 1.99 -3.62 1.61 -0.00 -0.72 -3.56 117.44 111.13 1xs6 n TRP 131 Ca 0.00 0.57 -0.13 0.00 -0.00 0.00 0.00 57.50 57.94 1xs6 n TRP 131 Cb 0.00 -2.38 -0.13 0.00 -0.00 0.00 0.00 31.31 28.80 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 -0.24 0.42 0.00 5.87 0.15 -1.25 -0.87 113.70 117.78 1xs6 s SER 132 Ca 0.59 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1xs6 s SER 132 Cb -0.62 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1xs6 s SER 132 CO 0.59 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1xs6 n GLY 133 N 5.35 3.27 3.75 9.45 0.00 0.17 -4.04 105.19 123.14 1xs6 n GLY 133 Ca -0.06 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.98 4.66 0.02 0.00 1.01 -1.26 -4.78 121.20 118.88 1xs6 s ILE 135 Ca 0.73 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 1xs6 s ILE 135 Cb -0.26 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1xs6 s ILE 135 CO 0.39 0.41 0.93 -0.69 0.00 0.00 0.00 174.94 175.98 1xs6 s VAL 136 N 0.81 4.80 -0.17 2.92 1.01 -1.26 -0.60 120.40 127.92 1xs6 s VAL 136 Ca 0.04 1.96 -0.06 0.00 0.00 0.00 0.00 61.98 63.91 1xs6 s VAL 136 Cb -0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1xs6 s VAL 136 CO 0.02 0.22 0.05 -0.76 0.00 0.00 0.00 175.10 174.63 1xs6 s LEU 137 N 0.68 3.74 -0.50 3.92 1.43 -0.63 -4.93 118.68 122.38 1xs6 s LEU 137 Ca 0.48 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 1xs6 s LEU 137 Cb -0.21 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.20 1xs6 s LEU 137 CO 0.27 0.21 0.42 0.00 0.23 0.00 0.00 176.35 177.48 1xs6 s ALA 138 N 0.17 3.53 -0.04 4.21 0.00 -1.24 -0.96 121.76 127.43 1xs6 s ALA 138 Ca 0.04 -2.50 -0.17 0.00 0.00 0.00 0.00 51.96 49.32 1xs6 s ALA 138 Cb -0.12 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1xs6 s ALA 138 CO 0.01 -1.95 0.46 -0.06 0.00 0.00 0.00 175.76 174.22 1xs6 s PHE 139 N 1.50 3.64 -0.05 0.00 2.99 -0.12 -3.08 117.98 122.87 1xs6 s PHE 139 Ca 0.04 0.98 0.00 0.00 0.00 0.00 0.00 56.93 57.95 1xs6 s PHE 139 Cb -0.28 -2.43 0.02 0.00 0.00 0.00 0.00 43.02 40.33 1xs6 s PHE 139 CO 0.02 0.42 -0.02 -0.47 -0.00 0.00 0.00 175.22 175.17 1xs6 s TYR 140 N -0.32 0.63 -0.54 0.36 5.04 -0.81 -1.64 117.35 120.07 1xs6 s TYR 140 Ca 0.25 -0.15 -0.17 0.00 -2.44 0.00 0.00 57.07 54.56 1xs6 s TYR 140 Cb -0.16 -0.64 0.11 0.00 0.35 0.00 0.00 41.96 41.61 1xs6 s TYR 140 CO 0.13 -0.21 0.54 1.21 -1.34 0.00 0.00 175.55 175.88 1xs6 s ASN 141 N 1.23 6.18 0.00 4.32 2.47 -1.26 -0.94 114.94 126.94 1xs6 s ASN 141 Ca -0.06 -1.54 0.14 0.00 0.42 0.00 0.00 52.86 51.82 1xs6 s ASN 141 Cb -0.14 -2.24 0.50 0.00 -1.45 0.00 0.00 41.25 37.92 1xs6 s ASN 141 CO -0.02 -0.89 1.37 -1.54 -3.72 0.00 0.00 177.10 172.30 1xs6 n SER 142 N 5.60 1.45 -1.43 -4.21 3.41 0.10 -1.11 113.62 117.43 1xs6 n SER 142 Ca -0.12 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1xs6 n SER 142 Cb 0.42 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 1.00 1.77 0.00 5.00 0.00 -1.26 -4.89 105.19 106.82 1xs6 n GLY 143 Ca 0.12 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.69 1.24 -5.19 1.61 4.76 -1.26 -4.67 118.16 113.96 1xs6 n LYS 144 Ca 0.00 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.09 1xs6 n LYS 144 Cb 0.00 -1.31 -0.16 0.00 -1.84 0.00 0.00 35.03 31.72 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 -3.24 2.07 0.51 -0.35 1.43 -1.26 -4.92 118.68 112.91 1xs6 s LEU 145 Ca 0.02 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 1xs6 s LEU 145 Cb 0.12 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.98 1xs6 s LEU 145 CO 0.68 0.30 0.91 -2.65 0.23 0.00 0.00 176.35 175.81 1xs6 n PRO 146 N 2.37 1.05 -4.98 1.29 -0.02 -1.26 -4.57 135.00 128.88 1xs6 n PRO 146 Ca -0.16 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 1xs6 n PRO 146 Cb 0.52 -2.02 -0.17 0.00 -0.02 0.00 0.00 33.50 31.81 1xs6 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs6 s LEU 147 N -0.79 1.93 -0.42 2.45 1.43 -0.48 -4.98 118.68 117.82 1xs6 s LEU 147 Ca 0.68 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 1xs6 s LEU 147 Cb -0.49 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1xs6 s LEU 147 CO 0.53 0.11 0.73 0.00 0.23 0.00 0.00 176.35 177.95 1xs6 s ALA 148 N 0.47 3.35 -0.24 4.21 0.00 -1.26 -0.45 121.76 127.84 1xs6 s ALA 148 Ca -0.17 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 1xs6 s ALA 148 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1xs6 s ALA 148 CO 0.07 -1.72 0.30 -0.51 0.00 0.00 0.00 175.76 173.90 1xs6 s LEU 149 N 3.06 4.10 -0.07 0.00 1.43 0.52 -4.90 118.68 122.81 1xs6 s LEU 149 Ca 0.28 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 1xs6 s LEU 149 Cb -0.13 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1xs6 s LEU 149 CO 0.20 -0.07 -0.22 -0.13 0.23 0.00 0.00 176.35 176.36 1xs6 s ARG 150 N 1.50 2.75 0.16 1.70 0.52 -1.26 -0.29 118.95 124.03 1xs6 s ARG 150 Ca 0.13 -0.84 -0.34 0.00 -0.52 0.00 0.00 55.73 54.17 1xs6 s ARG 150 Cb -0.15 -2.28 -0.16 0.00 0.52 0.00 0.00 34.95 32.88 1xs6 s ARG 150 CO 0.08 0.35 1.20 -2.30 0.02 0.00 0.00 175.30 174.65 1xs6 n PRO 151 N 3.05 1.16 0.00 3.54 -0.02 -1.26 -1.91 135.00 139.56 1xs6 n PRO 151 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1xs6 n PRO 151 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.11 2.07 3.73 -1.23 0.00 0.63 -4.91 105.19 107.59 1xs6 n GLY 152 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.69 2.32 0.08 1.61 0.23 -0.80 -4.53 119.30 117.51 1xs6 s MET 153 Ca 0.00 1.86 -0.31 0.00 -1.03 0.00 0.00 55.69 56.21 1xs6 s MET 153 Cb 0.00 -1.84 -0.08 0.00 -1.53 0.00 0.00 34.83 31.37 1xs6 s MET 153 CO 0.00 -1.72 1.66 -0.51 -2.03 0.00 0.00 175.02 172.42 1xs6 s LEU 154 N -4.83 4.37 0.00 0.18 1.43 -1.26 -0.74 118.68 117.82 1xs6 s LEU 154 Ca 0.77 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 1xs6 s LEU 154 Cb -0.32 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1xs6 s LEU 154 CO 0.43 -0.89 0.00 0.00 0.23 0.00 0.00 176.35 176.11 1xs6 n ILE 155 N 4.70 0.00 -3.78 -0.59 0.13 -0.22 -4.87 119.36 114.73 1xs6 n ILE 155 Ca 0.16 -0.29 0.00 0.00 -1.10 0.00 0.00 62.75 61.52 1xs6 n ILE 155 Cb 0.40 0.79 0.00 0.00 -0.84 0.00 0.00 39.64 40.00 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 1.48 -0.90 3.13 4.50 0.00 -1.20 -4.53 105.19 107.68 1xs6 n GLY 156 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.08 -0.06 4.61 0.00 -0.31 -0.95 121.76 123.97 1xs6 s ALA 157 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1xs6 s ALA 157 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1xs6 s ALA 157 CO 0.00 -0.35 -0.23 -0.51 0.00 0.00 0.00 175.76 174.68 1xs6 s LEU 158 N -2.24 2.21 0.38 0.00 1.43 -0.03 -0.20 118.68 120.23 1xs6 s LEU 158 Ca -0.03 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1xs6 s LEU 158 Cb 0.00 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 1xs6 s LEU 158 CO -0.05 0.26 -0.01 -0.94 0.23 0.00 0.00 176.35 175.84 1xs6 s SER 159 N -0.27 3.94 -0.04 2.29 1.04 -0.83 -1.30 113.70 118.53 1xs6 s SER 159 Ca -0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1xs6 s SER 159 Cb -0.13 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.60 1xs6 s SER 159 CO 0.03 -0.34 -0.01 -0.36 0.98 0.00 0.00 173.24 173.54 1xs6 s PHE 160 N -2.63 0.42 -0.25 5.02 0.40 -1.26 -1.41 117.98 118.28 1xs6 s PHE 160 Ca 0.35 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1xs6 s PHE 160 Cb 0.05 -0.49 0.04 0.00 0.51 0.00 0.00 43.02 43.12 1xs6 s PHE 160 CO 0.18 -0.16 -0.09 -2.00 0.70 0.00 0.00 175.22 173.85 1xs6 s GLU 161 N 1.11 2.65 0.52 0.44 2.12 0.12 -1.64 118.70 124.02 1xs6 s GLU 161 Ca -0.08 -1.09 -0.21 0.00 0.36 0.00 0.00 54.97 53.95 1xs6 s GLU 161 Cb -0.14 -2.91 -0.08 0.00 0.26 0.00 0.00 34.13 31.26 1xs6 s GLU 161 CO -0.02 -0.44 0.84 -2.30 -0.54 0.00 0.00 175.26 172.80 1xs6 n PRO 162 N 4.59 0.93 -2.86 4.30 -0.02 -1.25 -1.43 135.00 139.26 1xs6 n PRO 162 Ca -0.16 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.46 1xs6 n PRO 162 Cb 0.46 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.55 3.49 0.53 2.45 1.43 0.41 -4.81 118.68 121.63 1xs6 s LEU 163 Ca 0.69 -0.04 0.28 0.00 -1.03 0.00 0.00 54.13 54.03 1xs6 s LEU 163 Cb -0.48 -2.88 1.51 0.00 0.03 0.00 0.00 46.19 44.36 1xs6 s LEU 163 CO 0.53 -0.91 2.10 0.77 0.23 0.00 0.00 176.35 179.07 1xs6 h SER 164 N 0.32 0.00 -1.20 2.29 4.64 -1.95 -3.46 113.55 114.19 1xs6 h SER 164 Ca -0.43 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1xs6 h SER 164 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1xs6 h SER 164 CO 0.52 0.10 0.24 0.61 -0.87 0.00 0.00 176.83 177.43 1xs6 n GLY 165 N -0.76 0.93 3.72 -0.77 0.00 -1.26 -5.13 105.19 101.92 1xs6 n GLY 165 Ca -0.02 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 4.35 0.27 1.61 0.04 -1.26 -4.57 135.00 133.42 1xs6 s PRO 166 Ca 0.09 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 1xs6 s PRO 166 Cb -0.01 -3.25 -0.12 0.00 0.04 0.00 0.00 34.50 31.16 1xs6 s PRO 166 CO 0.02 -0.37 1.62 0.00 0.04 0.00 0.00 177.00 178.31 1xs6 n ALA 167 N 3.69 2.54 0.12 8.56 0.00 0.30 -4.91 120.51 130.80 1xs6 n ALA 167 Ca 0.10 0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.95 1xs6 n ALA 167 Cb 0.43 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 17.42 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 3.46 0.66 -2.20 0.00 2.07 -1.93 -3.36 116.25 114.94 1xs6 h VAL 168 Ca -0.46 -2.00 -0.58 0.00 0.82 0.00 0.00 66.70 64.48 1xs6 h VAL 168 Cb 1.22 2.24 -0.42 0.00 -1.52 0.00 0.00 31.29 32.81 1xs6 h VAL 168 CO 0.84 0.37 -0.70 0.54 0.02 0.00 0.00 177.57 178.64 1xs6 n ARG 169 N -3.10 2.58 -1.69 1.57 1.74 -1.26 -5.07 116.66 111.42 1xs6 n ARG 169 Ca -0.01 -4.54 -0.32 0.00 -0.77 0.00 0.00 57.85 52.21 1xs6 n ARG 169 Cb 0.74 -2.13 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.81 2.87 0.30 5.56 0.04 -1.26 -4.81 135.00 134.89 1xs6 s PRO 170 Ca 0.43 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.72 1xs6 s PRO 170 Cb 0.22 -1.97 0.76 0.00 0.04 0.00 0.00 34.50 33.55 1xs6 s PRO 170 CO -0.08 -1.17 1.73 -0.92 0.04 0.00 0.00 177.00 176.61 1xs6 h TYR 171 N -0.27 0.88 0.00 0.56 3.20 -0.82 -1.96 116.97 118.56 1xs6 h TYR 171 Ca -0.45 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 1xs6 h TYR 171 Cb 1.23 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 1xs6 h TYR 171 CO 0.58 0.08 -0.16 -2.95 -1.64 0.00 0.00 178.16 174.07 1xs6 h ASN 172 N 0.57 0.00 -0.01 -2.11 -1.07 -1.78 -3.03 115.58 108.15 1xs6 h ASN 172 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.95 1xs6 h ASN 172 Cb 1.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 1xs6 h ASN 172 CO -0.46 0.16 -0.52 0.54 0.07 0.00 0.00 177.43 177.23 1xs6 n ARG 173 N -3.62 1.72 -2.23 4.14 1.74 -0.75 -4.96 116.66 112.69 1xs6 n ARG 173 Ca -0.01 -0.46 -0.43 0.00 -0.77 0.00 0.00 57.85 56.18 1xs6 n ARG 173 Cb 0.30 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 1xs6 n ARG 173 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xs6 s ARG 174 N -2.18 4.19 0.44 5.56 0.52 -1.13 -4.93 118.95 121.41 1xs6 s ARG 174 Ca 0.10 1.88 0.16 0.00 -0.52 0.00 0.00 55.73 57.35 1xs6 s ARG 174 Cb 0.13 -3.87 0.99 0.00 0.52 0.00 0.00 34.95 32.71 1xs6 s ARG 174 CO 0.52 -0.80 1.96 1.05 0.02 0.00 0.00 175.30 178.05 1xs6 h GLU 175 N 8.90 0.00 -0.47 3.54 4.11 -1.93 -2.77 114.58 125.97 1xs6 h GLU 175 Ca -0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.09 1xs6 h GLU 175 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1xs6 h GLU 175 CO 0.97 0.22 0.02 -0.40 0.07 0.00 0.00 179.01 179.88 1xs6 n ASP 176 N -4.18 4.98 -4.74 3.06 5.75 -1.26 -4.94 116.55 115.22 1xs6 n ASP 176 Ca -0.02 -3.00 -0.42 0.00 -0.01 0.00 0.00 54.79 51.34 1xs6 n ASP 176 Cb 0.28 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.82 3.62 -0.03 2.12 0.00 -1.05 -4.97 121.76 118.64 1xs6 s ALA 177 Ca 0.50 1.27 0.12 0.00 0.00 0.00 0.00 51.96 53.85 1xs6 s ALA 177 Cb 0.39 -3.55 -0.21 0.00 0.00 0.00 0.00 23.12 19.76 1xs6 s ALA 177 CO 0.13 -0.69 0.82 0.87 0.00 0.00 0.00 175.76 176.88 1xs6 h LYS 178 N 5.50 0.00 0.00 0.00 1.57 -1.92 -3.42 116.57 118.31 1xs6 h LYS 178 Ca -0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1xs6 h LYS 178 Cb 1.21 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 1xs6 h LYS 178 CO 0.80 0.55 -0.54 0.66 -0.57 0.00 0.00 179.45 180.35 1xs6 n TYR 179 N -3.08 0.00 -1.97 -1.35 4.02 -1.26 -5.02 117.16 108.50 1xs6 n TYR 179 Ca -0.12 -1.23 -0.35 0.00 -0.01 0.00 0.00 57.90 56.18 1xs6 n TYR 179 Cb 0.99 -0.22 0.03 0.00 -0.02 0.00 0.00 39.34 40.13 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 -2.55 2.96 -1.49 -0.72 0.52 -1.26 -3.20 118.95 113.21 1xs6 s ARG 180 Ca 0.36 1.66 -0.06 0.00 -0.52 0.00 0.00 55.73 57.17 1xs6 s ARG 180 Cb 0.35 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.89 1xs6 s ARG 180 CO -0.08 -1.17 0.81 -1.71 0.02 0.00 0.00 175.30 173.17 1xs6 n ASN 181 N -1.79 -6.18 -4.67 0.23 2.85 -1.26 -4.91 115.26 99.53 1xs6 n ASN 181 Ca 0.12 -0.39 -0.43 0.00 -0.11 0.00 0.00 54.58 53.78 1xs6 n ASN 181 Cb 0.51 -4.94 -0.02 0.00 1.24 0.00 0.00 39.78 36.56 1xs6 n ASN 181 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1xs6 s GLN 182 N -5.94 4.29 -0.11 1.20 0.74 -1.19 -5.00 119.66 113.64 1xs6 s GLN 182 Ca 0.41 1.71 -0.02 0.00 0.05 0.00 0.00 55.36 57.51 1xs6 s GLN 182 Cb -0.18 -3.66 0.04 0.00 1.10 0.00 0.00 33.01 30.30 1xs6 s GLN 182 CO 0.51 -0.59 0.03 -0.65 -0.55 0.00 0.00 175.29 174.04 1xs6 s GLN 183 N 2.86 0.44 0.44 1.67 -0.21 -1.26 -3.25 119.66 120.34 1xs6 s GLN 183 Ca 0.57 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.93 1xs6 s GLN 183 Cb -0.24 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.43 1xs6 s GLN 183 CO 0.19 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 1xs6 n GLY 184 N 5.16 -2.32 2.92 3.09 0.00 -1.26 -4.63 105.19 108.16 1xs6 n GLY 184 Ca -0.07 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.14 4.69 -2.29 4.61 0.00 -1.26 -4.80 120.51 121.32 1xs6 n ALA 185 Ca 0.00 -3.71 -0.42 0.00 0.00 0.00 0.00 53.44 49.31 1xs6 n ALA 185 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.85 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 3.99 3.83 0.76 0.00 1.01 -1.26 -4.70 120.40 124.02 1xs6 s VAL 186 Ca 0.51 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 1xs6 s VAL 186 Cb 0.13 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1xs6 s VAL 186 CO -0.02 0.02 1.08 0.00 0.00 0.00 0.00 175.10 176.19 1xs6 s ALA 187 N 2.03 2.35 0.07 5.51 0.00 -1.26 -4.95 121.76 125.50 1xs6 s ALA 187 Ca 0.61 0.15 -0.37 0.00 0.00 0.00 0.00 51.96 52.35 1xs6 s ALA 187 Cb -0.30 -3.22 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 1xs6 s ALA 187 CO 0.26 -1.62 1.29 0.45 0.00 0.00 0.00 175.76 176.14 1xs6 n SER 188 N -3.41 1.35 -1.97 0.00 2.88 -1.26 -4.90 113.62 106.31 1xs6 n SER 188 Ca 0.08 1.13 -0.24 0.00 -1.33 0.00 0.00 58.87 58.51 1xs6 n SER 188 Cb 0.54 -1.14 0.11 0.00 -0.75 0.00 0.00 64.21 62.96 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 2.33 2.61 0.34 -1.46 1.74 -1.26 -4.73 116.66 116.23 1xs6 n ARG 189 Ca 0.19 -3.41 0.22 0.00 -0.77 0.00 0.00 57.85 54.07 1xs6 n ARG 189 Cb 0.17 -2.16 1.19 0.00 -1.02 0.00 0.00 32.46 30.64 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 1.26 0.04 0.00 0.55 6.09 -1.94 -0.21 117.51 123.30 1xs6 h ILE 190 Ca 0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.96 1xs6 h ILE 190 Cb 1.53 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.81 1xs6 h ILE 190 CO 1.05 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.23 1xs6 n ASP 191 N -3.13 0.56 0.07 2.19 5.75 -1.26 -2.89 116.55 117.84 1xs6 n ASP 191 Ca -0.03 0.69 0.12 0.00 -0.01 0.00 0.00 54.79 55.56 1xs6 n ASP 191 Cb 0.08 -0.79 0.15 0.00 -1.03 0.00 0.00 41.12 39.53 1xs6 n ASP 191 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1xs6 h LYS 192 N 0.00 0.00 0.00 0.11 1.57 -1.41 -3.43 116.57 113.41 1xs6 h LYS 192 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xs6 h LYS 192 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xs6 h LYS 192 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63