#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 3.04 0.20 2.12 1.81 -1.26 -4.23 118.95 120.63 1xs6 s ARG 2 Ca 0.00 1.85 -0.30 0.00 -1.72 0.00 0.00 55.73 55.55 1xs6 s ARG 2 Cb 0.00 -1.98 -0.09 0.00 -0.45 0.00 0.00 34.95 32.43 1xs6 s ARG 2 CO 0.00 -1.15 1.38 -0.51 -0.68 0.00 0.00 175.30 174.34 1xs6 s LEU 3 N -3.96 4.40 0.83 2.53 1.43 0.80 -4.99 118.68 119.71 1xs6 s LEU 3 Ca 0.76 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 56.24 1xs6 s LEU 3 Cb -0.31 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.39 1xs6 s LEU 3 CO 0.34 -0.63 1.12 0.00 0.23 0.00 0.00 176.35 177.41 1xs6 h ASP 5 N -1.20 -0.88 -0.88 0.00 3.04 -0.06 0.66 116.42 117.10 1xs6 h ASP 5 Ca -0.48 0.21 0.13 0.00 -3.24 0.00 0.00 57.03 53.66 1xs6 h ASP 5 Cb 1.29 0.49 -0.09 0.00 -1.04 0.00 0.00 39.33 39.99 1xs6 h ASP 5 CO 0.61 -0.26 0.49 -0.09 -2.04 0.00 0.00 179.24 177.95 1xs6 h ARG 6 N -0.08 0.71 0.00 4.15 1.12 -1.92 -1.17 114.38 117.19 1xs6 h ARG 6 Ca 0.28 -0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 58.95 1xs6 h ARG 6 Cb 0.52 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.30 1xs6 h ARG 6 CO -0.69 0.47 -0.77 -0.44 -3.11 0.00 0.00 179.97 175.44 1xs6 h ASP 7 N 0.73 0.00 -0.32 -3.80 3.32 -1.61 -2.47 116.42 112.27 1xs6 h ASP 7 Ca 0.46 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.55 1xs6 h ASP 7 Cb 0.59 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1xs6 h ASP 7 CO -0.32 0.77 0.11 0.40 -1.72 0.00 0.00 179.24 178.47 1xs6 h ILE 8 N 0.00 0.91 -0.61 0.35 2.04 0.24 -2.05 117.51 118.40 1xs6 h ILE 8 Ca -0.01 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1xs6 h ILE 8 Cb 1.59 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 1xs6 h ILE 8 CO 0.10 0.05 0.25 -0.33 0.00 0.00 0.00 178.15 178.21 1xs6 h GLU 9 N 0.25 0.43 -0.30 2.37 5.08 -1.15 -1.36 114.58 119.90 1xs6 h GLU 9 Ca 0.14 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1xs6 h GLU 9 Cb 0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xs6 h GLU 9 CO -0.15 0.28 -0.42 0.00 -1.00 0.00 0.00 179.01 177.73 1xs6 h ALA 10 N 1.40 0.70 -0.21 3.43 0.00 -1.18 0.16 119.26 123.55 1xs6 h ALA 10 Ca 0.30 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xs6 h ALA 10 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xs6 h ALA 10 CO -0.28 0.67 0.12 -1.49 0.00 0.00 0.00 179.25 178.26 1xs6 h TRP 11 N 0.60 0.28 -0.67 0.00 4.06 -1.20 0.38 115.95 119.41 1xs6 h TRP 11 Ca 0.05 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1xs6 h TRP 11 Cb 0.97 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 29.01 1xs6 h TRP 11 CO 0.05 0.25 0.37 -0.07 -3.56 0.00 0.00 178.44 175.48 1xs6 h LEU 12 N 0.23 0.81 -0.32 -4.49 3.38 -0.75 -0.42 115.31 113.75 1xs6 h LEU 12 Ca 0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1xs6 h LEU 12 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xs6 h LEU 12 CO -0.01 0.65 -0.04 0.44 0.09 0.00 0.00 178.44 179.57 1xs6 h ASP 13 N 0.92 0.60 0.15 -0.43 3.32 -0.60 -3.09 116.42 117.29 1xs6 h ASP 13 Ca 0.24 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1xs6 h ASP 13 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1xs6 h ASP 13 CO -0.04 0.80 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.90 1xs6 h GLU 14 N 0.39 0.24 0.00 3.56 4.81 -0.72 -3.47 114.58 119.38 1xs6 h GLU 14 Ca 0.09 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xs6 h GLU 14 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1xs6 h GLU 14 CO 0.02 0.51 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 1xs6 n GLY 15 N -0.47 0.83 0.08 1.92 0.00 -0.31 -4.97 105.19 102.28 1xs6 n GLY 15 Ca -0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 0.10 -6.41 1.61 1.12 -1.46 -3.44 114.38 105.90 1xs6 h ARG 16 Ca 0.00 -0.16 -0.61 0.00 -1.11 0.00 0.00 59.98 58.10 1xs6 h ARG 16 Cb 0.01 0.06 -0.20 0.00 -0.01 0.00 0.00 29.97 29.83 1xs6 h ARG 16 CO 0.00 1.06 -0.83 -1.17 -3.11 0.00 0.00 179.97 175.93 1xs6 s LEU 17 N -6.91 2.38 -0.00 3.80 2.96 -1.17 -3.69 118.68 116.04 1xs6 s LEU 17 Ca -0.01 -0.79 0.01 0.00 -0.22 0.00 0.00 54.13 53.12 1xs6 s LEU 17 Cb 0.09 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 1xs6 s LEU 17 CO 0.84 0.08 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.97 1xs6 s SER 18 N -2.34 0.48 -0.03 3.68 1.04 -0.68 -4.29 113.70 111.55 1xs6 s SER 18 Ca 0.14 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1xs6 s SER 18 Cb -0.08 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.00 1xs6 s SER 18 CO 0.07 0.04 -0.01 -0.63 0.98 0.00 0.00 173.24 173.70 1xs6 s ILE 19 N -0.04 0.23 -0.05 -1.02 1.01 -1.26 -0.28 121.20 119.78 1xs6 s ILE 19 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 1xs6 s ILE 19 Cb -0.02 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.16 1xs6 s ILE 19 CO -0.00 0.16 0.03 0.20 0.00 0.00 0.00 174.94 175.32 1xs6 s ASN 20 N 1.01 1.28 0.62 3.58 0.01 -0.09 -2.53 114.94 118.82 1xs6 s ASN 20 Ca -0.10 -0.00 -0.17 0.00 -0.71 0.00 0.00 52.86 51.87 1xs6 s ASN 20 Cb -0.14 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.22 1xs6 s ASN 20 CO -0.01 -0.21 1.15 -2.84 -1.51 0.00 0.00 177.10 173.68 1xs6 s PRO 21 N 1.98 2.93 -0.15 -0.60 0.02 -1.26 -1.59 135.00 136.33 1xs6 s PRO 21 Ca 0.04 1.62 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 1xs6 s PRO 21 Cb -0.12 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1xs6 s PRO 21 CO -0.04 -1.19 1.71 0.50 -0.33 0.00 0.00 177.00 177.65 1xs6 s ARG 22 N -3.62 3.89 0.47 5.54 3.52 -1.05 -4.94 118.95 122.76 1xs6 s ARG 22 Ca 0.72 1.94 -0.24 0.00 -0.13 0.00 0.00 55.73 58.02 1xs6 s ARG 22 Cb -0.25 -4.06 -0.08 0.00 -1.56 0.00 0.00 34.95 29.00 1xs6 s ARG 22 CO 0.35 -1.19 1.27 -2.30 -0.81 0.00 0.00 175.30 172.62 1xs6 n PRO 23 N 7.57 1.81 -1.27 5.12 -0.02 -1.26 -4.97 135.00 141.98 1xs6 n PRO 23 Ca 0.19 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 1xs6 n PRO 23 Cb 0.44 -2.42 0.16 0.00 -0.02 0.00 0.00 33.50 31.66 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 -2.42 0.81 0.36 0.52 0.04 -1.26 -4.87 135.00 128.18 1xs6 s PRO 24 Ca 0.65 0.54 0.15 0.00 0.04 0.00 0.00 61.00 62.37 1xs6 s PRO 24 Cb -0.47 -1.78 1.03 0.00 0.04 0.00 0.00 34.50 33.31 1xs6 s PRO 24 CO 0.55 -2.48 1.73 0.28 0.04 0.00 0.00 177.00 177.12 1xs6 h VAL 25 N -1.71 0.47 0.00 -0.36 2.07 -1.93 -1.38 116.25 113.41 1xs6 h VAL 25 Ca -0.52 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1xs6 h VAL 25 Cb 1.32 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1xs6 h VAL 25 CO 0.58 0.08 0.00 -0.33 0.02 0.00 0.00 177.57 177.92 1xs6 h GLU 26 N 0.45 0.00 -0.42 1.57 3.07 -2.03 -1.96 114.58 115.26 1xs6 h GLU 26 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 1xs6 h GLU 26 Cb 1.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1xs6 h GLU 26 CO -0.43 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 177.72 1xs6 n ARG 27 N -2.93 2.44 -3.81 2.33 5.12 -0.52 -4.85 116.66 114.44 1xs6 n ARG 27 Ca -0.01 -2.20 -0.36 0.00 -1.93 0.00 0.00 57.85 53.35 1xs6 n ARG 27 Cb 0.18 -1.43 -0.12 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.18 3.20 0.08 0.55 1.01 -0.74 -1.67 121.20 122.46 1xs6 s ILE 28 Ca 0.34 -1.87 -0.16 0.00 0.00 0.00 0.00 60.65 58.96 1xs6 s ILE 28 Cb 0.19 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1xs6 s ILE 28 CO 0.26 -0.53 0.39 0.54 0.00 0.00 0.00 174.94 175.60 1xs6 s ASN 29 N 1.63 -0.23 1.06 3.58 2.20 -0.62 -4.91 114.94 117.66 1xs6 s ASN 29 Ca 0.05 -0.16 0.00 0.00 -0.94 0.00 0.00 52.86 51.80 1xs6 s ASN 29 Cb -0.22 0.43 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 1xs6 s ASN 29 CO -0.03 -0.73 0.00 0.61 -2.94 0.00 0.00 177.10 174.01 1xs6 n GLY 30 N 0.22 0.49 0.26 0.45 0.00 -1.26 -0.87 105.19 104.48 1xs6 n GLY 30 Ca -0.17 0.63 0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 8.23 1.87 -2.25 4.61 0.00 -1.26 0.65 120.51 132.35 1xs6 n ALA 31 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 53.44 52.02 1xs6 n ALA 31 Cb 0.00 -0.33 -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 -0.76 0.91 -0.13 0.00 -4.23 -0.04 -4.39 115.64 107.00 1xs6 s THR 32 Ca 0.07 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1xs6 s THR 32 Cb 0.07 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.90 1xs6 s THR 32 CO 0.01 -0.59 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.60 1xs6 s VAL 33 N -3.50 1.95 0.41 2.29 1.01 0.18 -1.59 120.40 121.15 1xs6 s VAL 33 Ca 0.21 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1xs6 s VAL 33 Cb 0.05 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.62 1xs6 s VAL 33 CO 0.03 0.53 1.20 -1.81 0.00 0.00 0.00 175.10 175.05 1xs6 s ASP 34 N 0.78 6.39 0.32 3.32 1.01 -0.67 -0.05 116.67 127.77 1xs6 s ASP 34 Ca -0.09 2.41 0.10 0.00 0.71 0.00 0.00 52.55 55.69 1xs6 s ASP 34 Cb -0.16 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.10 1xs6 s ASP 34 CO -0.00 -0.77 -0.13 0.68 0.21 0.00 0.00 175.17 175.15 1xs6 s VAL 35 N -1.40 2.33 0.33 -1.27 -7.23 -0.62 -4.88 120.40 107.65 1xs6 s VAL 35 Ca 0.58 -2.28 0.10 0.00 -1.81 0.00 0.00 61.98 58.57 1xs6 s VAL 35 Cb -0.32 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 1xs6 s VAL 35 CO 0.40 -0.27 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.67 1xs6 s ARG 36 N -3.57 1.79 0.23 4.82 0.52 -1.26 -2.18 118.95 119.29 1xs6 s ARG 36 Ca 0.32 -1.90 -0.29 0.00 -0.52 0.00 0.00 55.73 53.34 1xs6 s ARG 36 Cb -0.00 -1.72 -0.09 0.00 0.52 0.00 0.00 34.95 33.66 1xs6 s ARG 36 CO 0.16 0.18 0.90 -1.17 0.02 0.00 0.00 175.30 175.40 1xs6 s LEU 37 N -3.59 4.62 0.00 2.53 2.96 -0.10 -0.33 118.68 124.77 1xs6 s LEU 37 Ca 0.32 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 1xs6 s LEU 37 Cb 0.01 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1xs6 s LEU 37 CO 0.16 0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 1xs6 n GLY 38 N 1.45 -0.75 0.09 7.98 0.00 0.27 -1.63 105.19 112.60 1xs6 n GLY 38 Ca -0.03 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.56 2.24 -4.45 1.61 6.94 -1.26 -4.17 115.26 114.61 1xs6 n ASN 39 Ca 0.00 -2.43 -0.33 0.00 -0.02 0.00 0.00 54.58 51.79 1xs6 n ASN 39 Cb 0.00 -0.19 -0.13 0.00 -2.36 0.00 0.00 39.78 37.10 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 -1.75 3.43 0.09 -3.83 1.02 -1.26 -2.78 119.74 114.66 1xs6 s LYS 40 Ca 0.14 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.54 1xs6 s LYS 40 Cb 0.12 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1xs6 s LYS 40 CO 0.02 0.28 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.61 1xs6 s PHE 41 N 0.22 0.82 -0.09 3.18 0.40 -0.29 -3.31 117.98 118.90 1xs6 s PHE 41 Ca -0.05 -0.94 -0.08 0.00 -0.60 0.00 0.00 56.93 55.26 1xs6 s PHE 41 Cb -0.15 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 42.92 1xs6 s PHE 41 CO 0.04 -0.19 0.24 0.50 0.70 0.00 0.00 175.22 176.51 1xs6 s ARG 42 N -3.84 0.27 0.35 0.44 3.52 -0.08 -0.08 118.95 119.53 1xs6 s ARG 42 Ca 0.11 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1xs6 s ARG 42 Cb 0.06 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1xs6 s ARG 42 CO -0.06 -0.05 0.06 0.25 -0.81 0.00 0.00 175.30 174.70 1xs6 n THR 43 N 3.07 0.00 -4.70 4.11 -2.24 -1.26 -0.78 114.28 112.47 1xs6 n THR 43 Ca -0.14 -1.58 -0.31 0.00 -2.27 0.00 0.00 64.05 59.76 1xs6 n THR 43 Cb 0.58 0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.14 2.52 -0.62 4.78 0.40 -1.26 -1.15 117.98 120.51 1xs6 s PHE 44 Ca 0.04 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1xs6 s PHE 44 Cb -0.00 -1.45 0.15 0.00 0.51 0.00 0.00 43.02 42.23 1xs6 s PHE 44 CO 0.03 0.23 0.39 1.03 0.70 0.00 0.00 175.22 177.60 1xs6 s ARG 45 N -1.39 2.30 0.39 0.44 0.52 0.31 -4.87 118.95 116.65 1xs6 s ARG 45 Ca 0.14 -2.89 0.16 0.00 -0.52 0.00 0.00 55.73 52.62 1xs6 s ARG 45 Cb -0.10 -3.45 0.80 0.00 0.52 0.00 0.00 34.95 32.71 1xs6 s ARG 45 CO 0.05 -1.18 1.83 0.78 0.02 0.00 0.00 175.30 176.79 1xs6 h GLY 46 N 6.19 0.00 1.88 -3.53 0.00 -1.92 -3.13 103.07 102.56 1xs6 h GLY 46 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xs6 h GLY 46 CO 0.71 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.86 1xs6 n HIS 47 N -3.88 0.00 0.63 5.60 1.44 -1.26 -2.69 115.22 115.06 1xs6 n HIS 47 Ca -0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.81 1xs6 n HIS 47 Cb 0.42 -0.44 0.07 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.44 0.18 -3.87 0.61 -2.24 -1.18 -4.97 114.28 101.36 1xs6 n THR 48 Ca 0.02 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1xs6 n THR 48 Cb 0.07 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 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 -3.17 -0.23 -0.03 6.98 0.00 -1.09 -4.94 121.76 119.28 1xs6 s ALA 49 Ca 0.05 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1xs6 s ALA 49 Cb 0.15 0.36 -0.33 0.00 0.00 0.00 0.00 23.12 23.30 1xs6 s ALA 49 CO 0.78 -0.41 0.91 0.00 0.00 0.00 0.00 175.76 177.04 1xs6 h ALA 50 N 3.19 -0.10 -2.97 0.00 0.00 -1.93 -3.48 119.26 113.96 1xs6 h ALA 50 Ca -0.33 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 53.82 1xs6 h ALA 50 Cb 1.19 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1xs6 h ALA 50 CO 0.52 0.48 0.17 -0.59 0.00 0.00 0.00 179.25 179.83 1xs6 s PHE 51 N -2.48 0.09 -0.15 0.00 -0.12 -1.26 -5.15 117.98 108.91 1xs6 s PHE 51 Ca -0.13 -0.59 0.02 0.00 -0.05 0.00 0.00 56.93 56.17 1xs6 s PHE 51 Cb 0.02 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1xs6 s PHE 51 CO 0.86 -1.32 -0.19 0.42 -0.05 0.00 0.00 175.22 174.94 1xs6 s ILE 52 N -3.29 1.91 -0.52 -4.49 1.01 -1.26 -5.02 121.20 109.54 1xs6 s ILE 52 Ca 0.16 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 1xs6 s ILE 52 Cb -0.05 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.74 1xs6 s ILE 52 CO 0.10 0.52 1.03 -0.62 0.00 0.00 0.00 174.94 175.97 1xs6 s ASP 53 N 1.11 6.47 0.52 3.58 -1.08 -1.26 -4.92 116.67 121.09 1xs6 s ASP 53 Ca -0.01 0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 1xs6 s ASP 53 Cb -0.14 -2.49 1.42 0.00 -1.46 0.00 0.00 42.92 40.25 1xs6 s ASP 53 CO -0.07 -1.24 2.07 -0.07 0.52 0.00 0.00 175.17 176.38 1xs6 h LEU 54 N 11.13 0.00 -5.03 -1.34 3.38 -1.98 -3.12 115.31 118.35 1xs6 h LEU 54 Ca -0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.41 1xs6 h LEU 54 Cb 1.07 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.41 1xs6 h LEU 54 CO 1.10 0.12 -1.05 -1.54 0.09 0.00 0.00 178.44 177.16 1xs6 n SER 55 N -3.70 2.35 -2.58 -0.43 3.41 -1.26 -4.88 113.62 106.53 1xs6 n SER 55 Ca -0.02 -2.45 -0.05 0.00 -0.26 0.00 0.00 58.87 56.09 1xs6 n SER 55 Cb 0.24 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.60 1.05 3.75 5.00 0.00 -1.18 -5.03 105.19 108.17 1xs6 n GLY 56 Ca 0.16 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.88 4.12 0.35 1.61 0.02 -1.26 -4.83 135.00 132.13 1xs6 s PRO 57 Ca 0.14 2.59 0.08 0.00 0.02 0.00 0.00 61.00 63.83 1xs6 s PRO 57 Cb -0.01 -3.02 0.78 0.00 0.02 0.00 0.00 34.50 32.27 1xs6 s PRO 57 CO 0.09 -0.64 1.89 -0.22 -0.33 0.00 0.00 177.00 177.79 1xs6 h LYS 58 N 4.90 0.71 -0.03 5.54 3.11 -1.96 -1.37 116.57 127.47 1xs6 h LYS 58 Ca -0.47 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.31 1xs6 h LYS 58 Cb 1.22 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 1xs6 h LYS 58 CO 0.80 0.47 -0.07 -0.44 -2.81 0.00 0.00 179.45 177.40 1xs6 h ASP 59 N 0.73 0.11 -0.19 4.20 3.45 -1.92 -0.16 116.42 122.64 1xs6 h ASP 59 Ca 0.42 -0.58 0.04 0.00 0.43 0.00 0.00 57.03 57.34 1xs6 h ASP 59 Cb 0.60 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.30 1xs6 h ASP 59 CO -0.18 0.67 -0.07 -0.33 -1.57 0.00 0.00 179.24 177.76 1xs6 h GLU 60 N -0.44 -0.03 0.08 3.56 5.08 -1.89 -0.42 114.58 120.52 1xs6 h GLU 60 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xs6 h GLU 60 Cb 0.65 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xs6 h GLU 60 CO 0.01 -0.02 -0.06 0.28 -1.00 0.00 0.00 179.01 178.22 1xs6 h VAL 61 N -0.03 0.86 -0.36 3.13 2.07 -1.24 -1.20 116.25 119.48 1xs6 h VAL 61 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1xs6 h VAL 61 Cb 0.18 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1xs6 h VAL 61 CO -0.21 0.00 -0.06 -1.28 0.02 0.00 0.00 177.57 176.04 1xs6 h SER 62 N -0.15 -0.26 -0.36 0.57 0.87 -0.88 -1.29 113.55 112.04 1xs6 h SER 62 Ca -0.00 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1xs6 h SER 62 Cb 0.14 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1xs6 h SER 62 CO -0.01 -0.09 0.23 0.00 -0.53 0.00 0.00 176.83 176.43 1xs6 h ALA 63 N 1.34 0.46 -0.44 6.23 0.00 -0.84 -1.64 119.26 124.37 1xs6 h ALA 63 Ca 0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1xs6 h ALA 63 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xs6 h ALA 63 CO -0.34 -0.11 0.18 0.00 0.00 0.00 0.00 179.25 178.98 1xs6 h ALA 64 N 1.15 0.54 -0.69 0.00 0.00 -0.98 -1.24 119.26 118.03 1xs6 h ALA 64 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1xs6 h ALA 64 Cb -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1xs6 h ALA 64 CO -0.05 -0.20 0.43 -0.07 0.00 0.00 0.00 179.25 179.36 1xs6 h LEU 65 N 0.36 0.69 -0.80 0.00 3.38 -0.93 -0.11 115.31 117.91 1xs6 h LEU 65 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1xs6 h LEU 65 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1xs6 h LEU 65 CO -0.19 0.47 0.28 0.44 0.09 0.00 0.00 178.44 179.54 1xs6 h ASP 66 N 0.83 1.09 -0.34 -0.43 3.32 -1.05 -2.08 116.42 117.75 1xs6 h ASP 66 Ca 0.28 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1xs6 h ASP 66 Cb 0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1xs6 h ASP 66 CO -0.12 0.98 -0.02 0.03 -1.72 0.00 0.00 179.24 178.39 1xs6 h ARG 67 N 1.13 0.62 0.00 3.56 3.08 -0.63 -3.31 114.38 118.83 1xs6 h ARG 67 Ca 0.25 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 1xs6 h ARG 67 Cb 0.26 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1xs6 h ARG 67 CO -0.02 0.75 -0.63 -0.39 -1.07 0.00 0.00 179.97 178.62 1xs6 h VAL 68 N 0.42 1.02 -3.40 2.04 -1.51 -0.93 -3.44 116.25 110.45 1xs6 h VAL 68 Ca 0.09 -2.45 -0.55 0.00 -1.23 0.00 0.00 66.70 62.56 1xs6 h VAL 68 Cb 0.49 2.50 -0.04 0.00 -2.13 0.00 0.00 31.29 32.11 1xs6 h VAL 68 CO 0.02 0.58 0.19 -0.04 -1.23 0.00 0.00 177.57 177.09 1xs6 s MET 69 N -2.91 4.49 0.93 5.19 -1.94 -0.79 0.11 119.30 124.39 1xs6 s MET 69 Ca 0.03 1.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.99 1xs6 s MET 69 Cb 0.08 -3.43 0.15 0.00 2.01 0.00 0.00 34.83 33.64 1xs6 s MET 69 CO 0.76 0.08 1.10 -1.54 -0.01 0.00 0.00 175.02 175.42 1xs6 s SER 70 N 0.65 2.93 0.94 3.03 1.04 -0.30 -4.87 113.70 117.12 1xs6 s SER 70 Ca 0.42 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.59 1xs6 s SER 70 Cb -0.19 -2.42 0.16 0.00 0.10 0.00 0.00 66.02 63.66 1xs6 s SER 70 CO 0.22 -3.04 1.13 -0.62 0.98 0.00 0.00 173.24 171.91 1xs6 s ASP 71 N -2.93 2.72 -0.00 7.02 3.68 -1.26 -4.73 116.67 121.17 1xs6 s ASP 71 Ca 0.65 2.08 -0.30 0.00 2.13 0.00 0.00 52.55 57.11 1xs6 s ASP 71 Cb -0.21 -2.53 -0.06 0.00 -1.45 0.00 0.00 42.92 38.67 1xs6 s ASP 71 CO 0.59 -3.21 1.44 -0.70 0.13 0.00 0.00 175.17 173.41 1xs6 s GLU 72 N -4.64 4.27 -0.12 4.34 2.12 -1.26 -4.62 118.70 118.79 1xs6 s GLU 72 Ca 0.67 2.01 -0.19 0.00 0.36 0.00 0.00 54.97 57.81 1xs6 s GLU 72 Cb -0.23 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1xs6 s GLU 72 CO 0.59 -0.61 0.51 0.42 -0.54 0.00 0.00 175.26 175.63 1xs6 s ILE 73 N 2.54 5.16 -0.23 -3.70 1.01 0.89 -4.91 121.20 121.95 1xs6 s ILE 73 Ca 0.65 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1xs6 s ILE 73 Cb -0.32 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1xs6 s ILE 73 CO 0.27 0.30 -0.11 -0.69 0.00 0.00 0.00 174.94 174.71 1xs6 s VAL 74 N 0.77 2.49 0.02 2.92 1.01 -1.26 -1.14 120.40 125.20 1xs6 s VAL 74 Ca 0.27 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1xs6 s VAL 74 Cb -0.15 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1xs6 s VAL 74 CO 0.11 0.23 1.16 -0.76 0.00 0.00 0.00 175.10 175.85 1xs6 s LEU 75 N 1.26 4.35 0.98 3.92 1.43 -1.12 -5.02 118.68 124.48 1xs6 s LEU 75 Ca -0.01 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1xs6 s LEU 75 Cb -0.16 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.67 1xs6 s LEU 75 CO -0.07 -0.46 1.12 -1.81 0.23 0.00 0.00 176.35 175.35 1xs6 s ASP 76 N 1.16 2.40 0.25 2.29 1.01 -1.26 -4.82 116.67 117.70 1xs6 s ASP 76 Ca 0.57 2.02 -0.31 0.00 0.71 0.00 0.00 52.55 55.54 1xs6 s ASP 76 Cb -0.27 -2.51 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 1xs6 s ASP 76 CO 0.27 -3.40 1.67 -1.61 0.21 0.00 0.00 175.17 172.31 1xs6 s GLU 77 N -4.60 4.11 -1.61 8.23 0.41 -1.26 -0.77 118.70 123.21 1xs6 s GLU 77 Ca 0.67 2.61 0.00 0.00 -0.41 0.00 0.00 54.97 57.84 1xs6 s GLU 77 Cb -0.23 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.07 1xs6 s GLU 77 CO 0.60 -0.71 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 1xs6 n GLY 78 N 3.07 1.53 3.89 -1.39 0.00 -1.26 -5.01 105.19 106.01 1xs6 n GLY 78 Ca 0.12 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.31 3.60 0.19 1.61 2.12 0.05 -5.10 118.70 117.87 1xs6 s GLU 79 Ca 0.00 -0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.33 1xs6 s GLU 79 Cb 0.00 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1xs6 s GLU 79 CO 0.00 0.61 0.09 0.00 -0.54 0.00 0.00 175.26 175.42 1xs6 s ALA 80 N -1.37 3.42 -0.23 6.30 0.00 -1.26 -4.55 121.76 124.06 1xs6 s ALA 80 Ca 0.30 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 1xs6 s ALA 80 Cb -0.13 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1xs6 s ALA 80 CO 0.18 0.44 0.15 0.12 0.00 0.00 0.00 175.76 176.65 1xs6 s PHE 81 N -1.85 3.31 -0.43 0.00 5.36 0.36 -4.91 117.98 119.81 1xs6 s PHE 81 Ca 0.30 0.20 -0.18 0.00 -0.96 0.00 0.00 56.93 56.29 1xs6 s PHE 81 Cb -0.09 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1xs6 s PHE 81 CO 0.22 0.08 0.52 0.71 -1.46 0.00 0.00 175.22 175.28 1xs6 s TYR 82 N 0.96 3.13 -0.42 10.12 1.51 -1.26 -0.42 117.35 130.97 1xs6 s TYR 82 Ca 0.07 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 1xs6 s TYR 82 Cb -0.13 -3.10 0.02 0.00 -0.11 0.00 0.00 41.96 38.64 1xs6 s TYR 82 CO 0.04 -0.79 0.50 -1.17 -1.11 0.00 0.00 175.55 173.02 1xs6 s LEU 83 N 2.39 4.73 0.30 -1.29 2.96 -0.24 -4.94 118.68 122.58 1xs6 s LEU 83 Ca 0.15 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 1xs6 s LEU 83 Cb -0.16 -2.50 -0.08 0.00 0.50 0.00 0.00 46.19 43.95 1xs6 s LEU 83 CO 0.15 -0.63 0.68 -1.00 -1.32 0.00 0.00 176.35 174.23 1xs6 s HIS 84 N 2.35 3.39 0.23 5.38 3.76 -1.26 -1.26 115.29 127.89 1xs6 s HIS 84 Ca 0.15 1.09 -0.31 0.00 -0.15 0.00 0.00 55.06 55.85 1xs6 s HIS 84 Cb -0.16 -2.44 -0.15 0.00 1.11 0.00 0.00 32.58 30.94 1xs6 s HIS 84 CO 0.15 0.13 1.14 -2.30 -0.85 0.00 0.00 174.74 173.02 1xs6 n PRO 85 N -0.37 1.38 -0.70 8.40 -0.02 -1.26 -2.16 135.00 140.27 1xs6 n PRO 85 Ca 0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1xs6 n PRO 85 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.72 0.81 3.56 -1.23 0.00 0.14 -4.99 105.19 105.19 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 -0.30 3.40 -0.17 1.61 0.41 -0.92 -4.95 118.70 117.77 1xs6 s GLU 87 Ca 0.00 -0.49 -0.09 0.00 -0.41 0.00 0.00 54.97 53.98 1xs6 s GLU 87 Cb 0.00 -2.85 -0.05 0.00 -1.78 0.00 0.00 34.13 29.45 1xs6 s GLU 87 CO 0.00 0.41 0.12 -1.17 -0.49 0.00 0.00 175.26 174.13 1xs6 s LEU 88 N -0.10 4.20 0.06 1.80 2.96 -1.26 -2.84 118.68 123.50 1xs6 s LEU 88 Ca 0.03 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1xs6 s LEU 88 Cb -0.13 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1xs6 s LEU 88 CO 0.02 0.25 0.02 0.00 -1.32 0.00 0.00 176.35 175.32 1xs6 s ALA 89 N -0.05 0.35 0.05 5.97 0.00 -0.74 -4.67 121.76 122.67 1xs6 s ALA 89 Ca 0.10 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1xs6 s ALA 89 Cb -0.11 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1xs6 s ALA 89 CO -0.00 -0.40 -0.01 -0.51 0.00 0.00 0.00 175.76 174.84 1xs6 s LEU 90 N -2.90 3.45 0.00 0.00 1.43 0.04 -0.85 118.68 119.85 1xs6 s LEU 90 Ca 0.06 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1xs6 s LEU 90 Cb 0.07 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1xs6 s LEU 90 CO -0.10 0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.69 1xs6 n ALA 91 N 0.91 0.00 -3.15 4.21 0.00 -0.32 -0.91 120.51 121.24 1xs6 n ALA 91 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1xs6 n ALA 91 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.50 0.06 0.64 0.00 0.11 -1.21 -0.73 120.40 116.78 1xs6 s VAL 92 Ca 0.00 -0.52 -0.17 0.00 -2.93 0.00 0.00 61.98 58.37 1xs6 s VAL 92 Cb 0.00 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1xs6 s VAL 92 CO 0.00 -0.28 1.18 0.42 -3.33 0.00 0.00 175.10 173.09 1xs6 s THR 93 N -2.03 2.69 0.14 5.04 -4.23 0.04 0.97 115.64 118.27 1xs6 s THR 93 Ca -0.08 0.38 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1xs6 s THR 93 Cb -0.02 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1xs6 s THR 93 CO 0.00 -0.14 1.64 0.25 -0.54 0.00 0.00 174.62 175.83 1xs6 h LEU 94 N 0.37 0.71 -9.75 4.79 5.85 -0.85 -3.38 115.31 113.06 1xs6 h LEU 94 Ca -0.49 -0.24 -0.54 0.00 0.84 0.00 0.00 57.88 57.46 1xs6 h LEU 94 Cb 1.28 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1xs6 h LEU 94 CO 0.53 0.76 0.10 -1.61 -0.34 0.00 0.00 178.44 177.89 1xs6 s GLU 95 N -5.29 4.40 -0.08 1.25 8.01 -1.26 -4.81 118.70 120.91 1xs6 s GLU 95 Ca -0.13 0.98 -0.15 0.00 0.01 0.00 0.00 54.97 55.68 1xs6 s GLU 95 Cb 0.11 -3.17 -0.05 0.00 -4.31 0.00 0.00 34.13 26.71 1xs6 s GLU 95 CO 0.79 0.55 0.37 0.45 0.01 0.00 0.00 175.26 177.43 1xs6 s SER 96 N -1.26 6.65 -0.05 -0.19 0.15 -0.62 -4.21 113.70 114.18 1xs6 s SER 96 Ca 0.36 0.77 0.06 0.00 0.70 0.00 0.00 55.95 57.83 1xs6 s SER 96 Cb -0.21 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1xs6 s SER 96 CO 0.23 0.20 -0.22 -0.69 1.20 0.00 0.00 173.24 173.96 1xs6 s VAL 97 N -0.27 2.40 -0.14 4.45 1.01 -0.65 -0.91 120.40 126.29 1xs6 s VAL 97 Ca 0.22 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1xs6 s VAL 97 Cb -0.15 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1xs6 s VAL 97 CO 0.09 0.58 -0.18 -0.89 0.00 0.00 0.00 175.10 174.70 1xs6 s THR 98 N -0.42 1.79 -0.09 3.92 2.01 0.61 -1.59 115.64 121.87 1xs6 s THR 98 Ca 0.04 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1xs6 s THR 98 Cb -0.12 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1xs6 s THR 98 CO 0.01 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.66 1xs6 s LEU 99 N 1.07 3.42 1.25 4.42 1.43 0.18 -1.69 118.68 128.75 1xs6 s LEU 99 Ca -0.03 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 1xs6 s LEU 99 Cb -0.14 -1.77 0.31 0.00 0.03 0.00 0.00 46.19 44.61 1xs6 s LEU 99 CO -0.05 0.36 1.11 -2.16 0.23 0.00 0.00 176.35 175.83 1xs6 s PRO 100 N -0.75 -1.59 0.36 1.29 0.04 -1.24 -1.38 135.00 131.73 1xs6 s PRO 100 Ca 0.12 -0.17 0.27 0.00 0.04 0.00 0.00 61.00 61.26 1xs6 s PRO 100 Cb -0.11 -1.56 0.95 0.00 0.04 0.00 0.00 34.50 33.82 1xs6 s PRO 100 CO 0.02 -3.94 1.79 0.00 0.04 0.00 0.00 177.00 174.91 1xs6 h ALA 101 N -2.74 1.00 -0.46 8.56 0.00 -1.91 -2.57 119.26 121.14 1xs6 h ALA 101 Ca -0.43 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1xs6 h ALA 101 Cb 1.29 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1xs6 h ALA 101 CO 0.29 0.00 0.08 -0.40 0.00 0.00 0.00 179.25 179.22 1xs6 n ASP 102 N -2.63 4.15 -3.80 0.00 5.75 -1.26 -0.04 116.55 118.73 1xs6 n ASP 102 Ca 0.03 -3.20 -0.13 0.00 -0.01 0.00 0.00 54.79 51.48 1xs6 n ASP 102 Cb 0.34 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 39.70 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 -2.95 1.09 0.05 -2.12 2.96 -1.24 -0.61 118.68 115.87 1xs6 s LEU 103 Ca 0.48 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1xs6 s LEU 103 Cb 0.39 1.01 -0.02 0.00 0.50 0.00 0.00 46.19 48.07 1xs6 s LEU 103 CO 0.10 -0.34 -0.15 0.54 -1.32 0.00 0.00 176.35 175.18 1xs6 s VAL 104 N -0.99 1.16 0.24 1.68 0.11 -0.36 -3.04 120.40 119.19 1xs6 s VAL 104 Ca -0.11 -1.10 0.10 0.00 -2.93 0.00 0.00 61.98 57.95 1xs6 s VAL 104 Cb -0.05 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1xs6 s VAL 104 CO 0.03 -0.04 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.80 1xs6 s GLY 105 N -1.30 1.76 -0.06 6.54 0.00 0.19 -0.94 107.32 113.50 1xs6 s GLY 105 Ca 0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.03 1xs6 s GLY 105 CO 0.02 -1.73 0.11 -0.98 0.00 0.00 0.00 173.10 170.52 1xs6 s TRP 106 N -2.11 -0.07 -0.18 1.90 0.52 -0.71 0.43 118.94 118.72 1xs6 s TRP 106 Ca 0.27 0.44 -0.21 0.00 0.02 0.00 0.00 56.10 56.62 1xs6 s TRP 106 Cb -0.07 -0.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.88 1xs6 s TRP 106 CO 0.15 -0.23 0.65 -1.17 0.02 0.00 0.00 176.95 176.38 1xs6 s LEU 107 N 2.15 4.16 0.19 2.99 2.96 0.49 -2.02 118.68 129.61 1xs6 s LEU 107 Ca 0.03 0.89 0.05 0.00 -0.22 0.00 0.00 54.13 54.88 1xs6 s LEU 107 Cb -0.12 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1xs6 s LEU 107 CO -0.04 -0.26 0.19 -1.81 -1.32 0.00 0.00 176.35 173.10 1xs6 s ASP 108 N 1.14 5.67 0.00 3.68 1.01 0.12 -4.81 116.67 123.48 1xs6 s ASP 108 Ca 0.30 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.44 1xs6 s ASP 108 Cb -0.16 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.26 1xs6 s ASP 108 CO 0.11 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1xs6 n GLY 109 N -0.70 1.03 2.89 0.21 0.00 -1.26 -0.79 105.19 106.57 1xs6 n GLY 109 Ca -0.08 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 0.70 0.04 0.32 1.61 0.52 -1.26 -4.00 118.95 116.87 1xs6 s ARG 110 Ca 0.00 0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.37 1xs6 s ARG 110 Cb 0.00 -0.05 0.65 0.00 0.52 0.00 0.00 34.95 36.07 1xs6 s ARG 110 CO 0.00 -0.06 1.87 1.03 0.02 0.00 0.00 175.30 178.17 1xs6 h SER 111 N 6.45 0.81 -0.48 0.23 0.87 -1.99 0.31 113.55 119.76 1xs6 h SER 111 Ca -0.31 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1xs6 h SER 111 Cb 1.18 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1xs6 h SER 111 CO 0.48 0.46 0.27 0.28 -0.53 0.00 0.00 176.83 177.78 1xs6 h SER 112 N 0.89 0.61 0.43 6.23 0.02 -1.99 -2.06 113.55 117.67 1xs6 h SER 112 Ca 0.44 -0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 61.04 1xs6 h SER 112 Cb 0.48 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 62.88 1xs6 h SER 112 CO -0.20 0.51 -1.43 -0.07 -1.14 0.00 0.00 176.83 174.49 1xs6 h LEU 113 N 0.70 0.60 -0.75 5.07 3.38 -1.42 -3.29 115.31 119.60 1xs6 h LEU 113 Ca 0.18 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.56 1xs6 h LEU 113 Cb 0.03 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1xs6 h LEU 113 CO -0.03 1.54 0.40 0.00 0.09 0.00 0.00 178.44 180.44 1xs6 h ALA 114 N 0.37 1.05 0.00 1.53 0.00 -0.27 -0.95 119.26 120.99 1xs6 h ALA 114 Ca -0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xs6 h ALA 114 Cb 2.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1xs6 h ALA 114 CO 0.22 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1xs6 n ARG 115 N -4.82 0.58 -0.07 0.00 1.74 -0.79 -1.01 116.66 112.28 1xs6 n ARG 115 Ca 0.12 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 1xs6 n ARG 115 Cb 0.28 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.06 2.26 0.00 0.55 4.77 -0.43 -5.01 117.00 118.08 1xs6 n LEU 116 Ca 0.14 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1xs6 n LEU 116 Cb 0.09 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xs6 n LEU 116 CO 0.12 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1xs6 n GLY 117 N 0.06 0.70 3.54 -0.72 0.00 -0.18 -4.00 105.19 104.59 1xs6 n GLY 117 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 3.96 0.04 0.99 2.96 -0.80 -0.44 118.68 125.39 1xs6 s LEU 118 Ca 0.00 -0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.50 1xs6 s LEU 118 Cb 0.00 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 1xs6 s LEU 118 CO 0.00 -1.22 0.85 -0.04 -1.32 0.00 0.00 176.35 174.62 1xs6 s MET 119 N 4.07 4.55 0.00 1.98 -1.94 -0.23 -4.22 119.30 123.51 1xs6 s MET 119 Ca 0.35 1.22 0.23 0.00 -1.71 0.00 0.00 55.69 55.77 1xs6 s MET 119 Cb -0.11 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.32 1xs6 s MET 119 CO 0.22 0.16 1.09 1.33 -0.01 0.00 0.00 175.02 177.81 1xs6 n VAL 120 N 3.19 0.00 -3.78 -6.03 0.24 -1.26 -1.94 118.33 108.75 1xs6 n VAL 120 Ca 0.01 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 1xs6 n VAL 120 Cb 0.50 1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 34.03 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 -2.52 0.03 -0.64 6.34 -3.43 -1.17 -3.69 115.29 110.21 1xs6 s HIS 121 Ca 0.18 -0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.06 1xs6 s HIS 121 Cb 0.18 0.10 0.16 0.00 -1.43 0.00 0.00 32.58 31.59 1xs6 s HIS 121 CO 0.59 -0.66 0.43 0.08 -2.00 0.00 0.00 174.74 173.18 1xs6 s VAL 122 N -3.86 3.08 -1.09 -5.38 1.01 -1.26 -4.78 120.40 108.13 1xs6 s VAL 122 Ca 0.06 -3.65 -0.00 0.00 0.00 0.00 0.00 61.98 58.39 1xs6 s VAL 122 Cb 0.03 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1xs6 s VAL 122 CO -0.09 -0.91 0.01 0.35 0.00 0.00 0.00 175.10 174.46 1xs6 n THR 123 N 2.69 -0.68 -3.26 3.92 -2.24 -1.26 -4.92 114.28 108.53 1xs6 n THR 123 Ca 0.12 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1xs6 n THR 123 Cb 0.34 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.93 -1.56 -0.01 6.98 0.00 -1.26 -5.03 121.76 116.95 1xs6 s ALA 124 Ca 0.02 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1xs6 s ALA 124 Cb -0.01 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1xs6 s ALA 124 CO 0.70 -1.97 0.73 -2.39 0.00 0.00 0.00 175.76 172.83 1xs6 n HIS 125 N 4.89 0.00 -2.92 0.00 -0.00 -1.26 -4.87 115.22 111.07 1xs6 n HIS 125 Ca 0.06 -0.21 -0.41 0.00 -0.00 0.00 0.00 57.72 57.17 1xs6 n HIS 125 Cb 0.51 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 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 -0.46 4.48 -0.30 -1.40 3.52 -1.26 -0.38 118.95 123.15 1xs6 s ARG 126 Ca 0.02 1.09 -0.06 0.00 -0.13 0.00 0.00 55.73 56.64 1xs6 s ARG 126 Cb 0.01 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1xs6 s ARG 126 CO 0.00 0.02 0.07 0.42 -0.81 0.00 0.00 175.30 174.99 1xs6 s ILE 127 N 0.90 3.75 0.60 4.11 -1.09 0.17 -4.96 121.20 124.68 1xs6 s ILE 127 Ca 0.43 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.85 1xs6 s ILE 127 Cb -0.19 -2.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 1xs6 s ILE 127 CO 0.22 0.03 1.04 -1.81 -1.23 0.00 0.00 174.94 173.18 1xs6 s ASP 128 N 1.45 5.93 0.23 3.58 1.01 -1.26 -0.64 116.67 126.97 1xs6 s ASP 128 Ca 0.01 1.68 -0.32 0.00 0.71 0.00 0.00 52.55 54.63 1xs6 s ASP 128 Cb -0.18 -2.51 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 1xs6 s ASP 128 CO 0.02 -1.06 1.60 -0.81 0.21 0.00 0.00 175.17 175.12 1xs6 n PRO 129 N -2.24 2.51 -0.24 8.23 -0.04 -1.17 -1.50 135.00 140.55 1xs6 n PRO 129 Ca 0.08 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1xs6 n PRO 129 Cb 0.53 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 2.97 1.00 3.77 0.55 0.00 -0.48 -0.91 105.19 112.09 1xs6 n GLY 130 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1xs6 n GLY 130 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs6 s TRP 131 N -2.68 2.85 -0.23 1.61 -0.11 -0.56 -3.25 118.94 116.57 1xs6 s TRP 131 Ca 0.00 1.31 -0.03 0.00 1.22 0.00 0.00 56.10 58.60 1xs6 s TRP 131 Cb 0.00 -3.83 0.12 0.00 -1.50 0.00 0.00 33.47 28.26 1xs6 s TRP 131 CO 0.00 -2.34 0.30 0.45 -4.62 0.00 0.00 176.95 170.74 1xs6 s SER 132 N -0.34 0.89 0.00 5.86 0.15 -1.25 -0.65 113.70 118.37 1xs6 s SER 132 Ca 0.51 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1xs6 s SER 132 Cb -0.43 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1xs6 s SER 132 CO 0.57 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1xs6 n GLY 133 N 5.34 0.71 3.79 9.45 0.00 -0.62 -4.26 105.19 119.60 1xs6 n GLY 133 Ca -0.04 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.53 4.01 0.09 0.00 1.01 -1.26 -4.84 121.20 117.67 1xs6 s ILE 135 Ca 0.64 -0.30 -0.27 0.00 0.00 0.00 0.00 60.65 60.71 1xs6 s ILE 135 Cb -0.17 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 1xs6 s ILE 135 CO 0.43 0.45 0.86 -0.69 0.00 0.00 0.00 174.94 175.99 1xs6 s VAL 136 N 0.72 4.59 -0.14 2.92 1.01 -1.26 -0.78 120.40 127.46 1xs6 s VAL 136 Ca -0.00 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 1xs6 s VAL 136 Cb -0.14 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1xs6 s VAL 136 CO 0.02 0.35 -0.04 -0.76 0.00 0.00 0.00 175.10 174.67 1xs6 s LEU 137 N -0.10 3.24 -0.55 3.92 1.43 0.09 -4.94 118.68 121.77 1xs6 s LEU 137 Ca 0.42 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 1xs6 s LEU 137 Cb -0.22 -1.77 0.14 0.00 0.03 0.00 0.00 46.19 44.36 1xs6 s LEU 137 CO 0.27 0.20 0.49 0.00 0.23 0.00 0.00 176.35 177.53 1xs6 s ALA 138 N 0.20 3.64 0.05 4.21 0.00 -1.24 -1.18 121.76 127.44 1xs6 s ALA 138 Ca -0.02 -2.61 -0.20 0.00 0.00 0.00 0.00 51.96 49.13 1xs6 s ALA 138 Cb -0.14 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1xs6 s ALA 138 CO 0.03 -2.02 0.60 -0.06 0.00 0.00 0.00 175.76 174.31 1xs6 s PHE 139 N 1.44 3.77 -0.03 0.00 2.99 -0.03 -3.06 117.98 123.06 1xs6 s PHE 139 Ca 0.05 1.28 0.01 0.00 0.00 0.00 0.00 56.93 58.27 1xs6 s PHE 139 Cb -0.28 -2.57 0.02 0.00 0.00 0.00 0.00 43.02 40.19 1xs6 s PHE 139 CO 0.01 0.49 -0.04 -0.47 -0.00 0.00 0.00 175.22 175.22 1xs6 s TYR 140 N -0.77 0.56 -0.48 0.36 5.04 -0.82 -1.80 117.35 119.44 1xs6 s TYR 140 Ca 0.30 -0.12 -0.18 0.00 -2.44 0.00 0.00 57.07 54.63 1xs6 s TYR 140 Cb -0.19 -0.51 0.05 0.00 0.35 0.00 0.00 41.96 41.66 1xs6 s TYR 140 CO 0.19 -0.13 0.55 1.21 -1.34 0.00 0.00 175.55 176.03 1xs6 s ASN 141 N 0.68 6.21 0.00 4.32 3.84 -1.13 -1.07 114.94 127.78 1xs6 s ASN 141 Ca -0.08 -0.94 0.26 0.00 0.21 0.00 0.00 52.86 52.31 1xs6 s ASN 141 Cb -0.11 -2.26 0.68 0.00 -0.55 0.00 0.00 41.25 39.01 1xs6 s ASN 141 CO -0.00 -0.79 1.53 -1.54 -2.79 0.00 0.00 177.10 173.51 1xs6 n SER 142 N 5.88 2.16 -2.06 -4.21 3.41 0.41 -0.69 113.62 118.53 1xs6 n SER 142 Ca -0.08 -1.72 -0.01 0.00 -0.26 0.00 0.00 58.87 56.81 1xs6 n SER 142 Cb 0.45 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.25 0.07 0.00 5.00 0.00 -1.25 -4.87 105.19 105.39 1xs6 n GLY 143 Ca 0.17 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.05 1.04 -4.80 1.61 4.76 -1.26 -4.63 118.16 113.82 1xs6 n LYS 144 Ca 0.00 -0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 1xs6 n LYS 144 Cb 0.01 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 31.71 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 -3.12 2.20 0.42 -0.35 1.02 -1.26 -4.91 118.68 112.67 1xs6 s LEU 145 Ca 0.04 -0.62 -0.26 0.00 0.02 0.00 0.00 54.13 53.31 1xs6 s LEU 145 Cb 0.13 -1.26 -0.09 0.00 0.02 0.00 0.00 46.19 44.99 1xs6 s LEU 145 CO 0.73 0.24 1.42 -2.84 0.02 0.00 0.00 176.35 175.92 1xs6 s PRO 146 N -1.39 3.87 -0.18 1.29 0.02 -1.26 -4.44 135.00 132.91 1xs6 s PRO 146 Ca 0.12 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 1xs6 s PRO 146 Cb -0.10 -2.77 -0.00 0.00 0.02 0.00 0.00 34.50 31.65 1xs6 s PRO 146 CO 0.03 -0.67 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.40 1xs6 s LEU 147 N -2.48 2.61 -0.38 -5.54 1.43 -0.39 -4.97 118.68 108.96 1xs6 s LEU 147 Ca 0.58 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1xs6 s LEU 147 Cb -0.43 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1xs6 s LEU 147 CO 0.57 0.05 1.09 0.00 0.23 0.00 0.00 176.35 178.28 1xs6 s ALA 148 N 1.03 3.37 -0.24 4.21 0.00 -1.26 -1.08 121.76 127.79 1xs6 s ALA 148 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1xs6 s ALA 148 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1xs6 s ALA 148 CO -0.02 -1.78 0.12 -0.51 0.00 0.00 0.00 175.76 173.57 1xs6 s LEU 149 N 3.93 3.85 -0.06 0.00 1.43 0.44 -4.91 118.68 123.36 1xs6 s LEU 149 Ca 0.46 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1xs6 s LEU 149 Cb -0.10 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1xs6 s LEU 149 CO 0.22 0.03 -0.20 -0.13 0.23 0.00 0.00 176.35 176.49 1xs6 s ARG 150 N 1.25 2.62 0.23 1.70 0.52 -1.26 -0.49 118.95 123.51 1xs6 s ARG 150 Ca 0.06 -0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 1xs6 s ARG 150 Cb -0.14 -2.28 -0.14 0.00 0.52 0.00 0.00 34.95 32.90 1xs6 s ARG 150 CO 0.05 0.44 1.24 -2.30 0.02 0.00 0.00 175.30 174.75 1xs6 n PRO 151 N 2.80 1.58 0.00 3.54 -0.02 -1.26 -2.29 135.00 139.35 1xs6 n PRO 151 Ca -0.17 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1xs6 n PRO 151 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.87 3.03 3.68 -1.23 0.00 -0.65 -4.99 105.19 106.91 1xs6 n GLY 152 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1xs6 n GLY 152 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1xs6 n MET 153 N -1.01 1.16 -2.10 1.61 0.00 -0.97 -4.56 117.12 111.25 1xs6 n MET 153 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 57.70 57.72 1xs6 n MET 153 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 33.22 30.84 1xs6 n MET 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1xs6 s LEU 154 N -2.95 4.05 -0.00 3.17 1.43 -1.26 -0.92 118.68 122.20 1xs6 s LEU 154 Ca 0.76 1.83 0.04 0.00 -1.03 0.00 0.00 54.13 55.74 1xs6 s LEU 154 Cb -0.41 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 1xs6 s LEU 154 CO 0.46 -1.12 0.11 0.00 0.23 0.00 0.00 176.35 176.04 1xs6 n ILE 155 N 6.03 0.00 -3.52 -0.59 0.13 -0.93 -4.93 119.36 115.56 1xs6 n ILE 155 Ca 0.18 -0.19 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 1xs6 n ILE 155 Cb 0.44 0.59 0.00 0.00 -0.84 0.00 0.00 39.64 39.83 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 1.91 0.67 3.28 4.50 0.00 -1.23 -4.48 105.19 109.85 1xs6 n GLY 156 Ca -0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.93 -0.11 4.61 0.00 0.03 -1.60 121.76 122.77 1xs6 s ALA 157 Ca 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 1xs6 s ALA 157 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1xs6 s ALA 157 CO 0.00 -0.24 -0.08 -0.51 0.00 0.00 0.00 175.76 174.93 1xs6 s LEU 158 N -0.68 3.04 0.34 0.00 1.43 0.92 -0.70 118.68 123.03 1xs6 s LEU 158 Ca -0.08 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 1xs6 s LEU 158 Cb -0.04 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1xs6 s LEU 158 CO 0.03 0.26 0.15 -0.94 0.23 0.00 0.00 176.35 176.08 1xs6 s SER 159 N -0.20 4.68 -0.01 2.29 1.04 -0.86 -0.65 113.70 120.00 1xs6 s SER 159 Ca 0.02 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1xs6 s SER 159 Cb -0.13 -0.72 0.02 0.00 0.10 0.00 0.00 66.02 65.29 1xs6 s SER 159 CO 0.03 -0.31 0.02 -0.36 0.98 0.00 0.00 173.24 173.60 1xs6 s PHE 160 N -2.43 0.04 -0.16 5.02 0.40 -1.26 -1.74 117.98 117.85 1xs6 s PHE 160 Ca 0.38 0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1xs6 s PHE 160 Cb -0.02 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.37 1xs6 s PHE 160 CO 0.23 -0.07 -0.04 -2.00 0.70 0.00 0.00 175.22 174.05 1xs6 s GLU 161 N 0.76 1.25 0.45 0.44 2.12 -0.11 -0.14 118.70 123.45 1xs6 s GLU 161 Ca -0.06 -0.42 -0.23 0.00 0.36 0.00 0.00 54.97 54.61 1xs6 s GLU 161 Cb -0.09 -1.88 -0.10 0.00 0.26 0.00 0.00 34.13 32.32 1xs6 s GLU 161 CO -0.02 -0.44 0.99 -2.30 -0.54 0.00 0.00 175.26 172.95 1xs6 n PRO 162 N 4.93 1.27 -2.37 4.30 -0.02 -1.26 -1.22 135.00 140.63 1xs6 n PRO 162 Ca -0.11 0.46 -0.24 0.00 -2.02 0.00 0.00 63.50 61.59 1xs6 n PRO 162 Cb 0.48 -2.05 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.65 2.99 0.48 2.45 1.43 0.22 -4.83 118.68 120.77 1xs6 s LEU 163 Ca 0.65 0.26 0.14 0.00 -1.03 0.00 0.00 54.13 54.15 1xs6 s LEU 163 Cb -0.54 -2.99 1.11 0.00 0.03 0.00 0.00 46.19 43.80 1xs6 s LEU 163 CO 0.56 -1.44 2.08 0.77 0.23 0.00 0.00 176.35 178.54 1xs6 h SER 164 N -0.36 0.09 -2.17 2.29 4.64 -1.95 -3.46 113.55 112.64 1xs6 h SER 164 Ca -0.43 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1xs6 h SER 164 Cb 1.31 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xs6 h SER 164 CO 0.57 0.12 0.19 0.61 -0.87 0.00 0.00 176.83 177.45 1xs6 n GLY 165 N -1.36 1.33 3.71 -0.77 0.00 -1.26 -5.13 105.19 101.71 1xs6 n GLY 165 Ca -0.02 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1xs6 n GLY 165 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xs6 s PRO 166 N -2.05 4.28 0.24 1.61 0.02 -1.26 -4.60 135.00 133.24 1xs6 s PRO 166 Ca 0.10 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 62.98 1xs6 s PRO 166 Cb -0.03 -3.26 -0.12 0.00 0.02 0.00 0.00 34.50 31.11 1xs6 s PRO 166 CO 0.07 -0.52 1.68 0.00 -0.33 0.00 0.00 177.00 177.91 1xs6 n ALA 167 N 4.15 2.78 0.09 -1.55 0.00 0.95 -4.92 120.51 122.01 1xs6 n ALA 167 Ca 0.13 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 1xs6 n ALA 167 Cb 0.41 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 3.64 1.55 -2.25 0.00 2.07 -1.93 -3.36 116.25 115.96 1xs6 h VAL 168 Ca -0.45 -2.85 -0.59 0.00 0.82 0.00 0.00 66.70 63.63 1xs6 h VAL 168 Cb 1.21 2.60 -0.41 0.00 -1.52 0.00 0.00 31.29 33.17 1xs6 h VAL 168 CO 0.90 0.82 -0.69 0.54 0.02 0.00 0.00 177.57 179.16 1xs6 n ARG 169 N -3.57 2.08 -1.18 1.57 1.74 -1.26 -5.07 116.66 110.97 1xs6 n ARG 169 Ca -0.03 -4.37 -0.30 0.00 -0.77 0.00 0.00 57.85 52.38 1xs6 n ARG 169 Cb 0.86 -2.06 0.12 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.09 1.68 0.34 5.56 0.04 -1.26 -4.79 135.00 134.49 1xs6 s PRO 170 Ca 0.37 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.49 1xs6 s PRO 170 Cb 0.13 -1.84 0.63 0.00 0.04 0.00 0.00 34.50 33.46 1xs6 s PRO 170 CO -0.05 -2.01 1.93 -0.92 0.04 0.00 0.00 177.00 175.99 1xs6 h TYR 171 N -1.39 0.64 0.00 0.56 3.20 -1.26 -1.16 116.97 117.56 1xs6 h TYR 171 Ca -0.46 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1xs6 h TYR 171 Cb 1.26 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1xs6 h TYR 171 CO 0.50 0.52 0.00 -2.95 -1.64 0.00 0.00 178.16 174.59 1xs6 h ASN 172 N 0.64 0.00 -0.00 -2.11 -1.07 -1.78 -2.96 115.58 108.30 1xs6 h ASN 172 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.52 1xs6 h ASN 172 Cb 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 1xs6 h ASN 172 CO -0.01 0.00 -0.66 0.54 0.07 0.00 0.00 177.43 177.37 1xs6 n ARG 173 N -2.62 1.46 -2.54 4.14 5.12 -0.48 -4.95 116.66 116.79 1xs6 n ARG 173 Ca 0.01 -0.28 -0.43 0.00 -1.93 0.00 0.00 57.85 55.22 1xs6 n ARG 173 Cb 0.25 -1.31 -0.02 0.00 -1.16 0.00 0.00 32.46 30.22 1xs6 n ARG 173 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1xs6 s ARG 174 N -2.42 3.94 0.37 5.56 0.52 -0.95 -4.93 118.95 121.04 1xs6 s ARG 174 Ca 0.09 1.05 0.27 0.00 -0.52 0.00 0.00 55.73 56.63 1xs6 s ARG 174 Cb 0.13 -3.83 1.07 0.00 0.52 0.00 0.00 34.95 32.85 1xs6 s ARG 174 CO 0.62 -1.08 1.81 1.05 0.02 0.00 0.00 175.30 177.72 1xs6 h GLU 175 N 8.79 0.00 -0.41 3.54 4.11 -1.92 -2.52 114.58 126.18 1xs6 h GLU 175 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1xs6 h GLU 175 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1xs6 h GLU 175 CO 1.05 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.73 1xs6 n ASP 176 N -2.59 3.75 -4.75 3.06 5.75 -1.26 -4.97 116.55 115.54 1xs6 n ASP 176 Ca 0.02 -2.44 -0.41 0.00 -0.01 0.00 0.00 54.79 51.95 1xs6 n ASP 176 Cb 0.29 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.81 3.55 -0.06 2.12 0.00 -0.95 -4.97 121.76 119.64 1xs6 s ALA 177 Ca 0.37 1.23 0.09 0.00 0.00 0.00 0.00 51.96 53.66 1xs6 s ALA 177 Cb 0.25 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.63 1xs6 s ALA 177 CO 0.16 -0.63 0.61 1.63 0.00 0.00 0.00 175.76 177.53 1xs6 n LYS 178 N 1.83 0.65 -0.43 0.00 5.02 -1.26 -4.65 118.16 119.31 1xs6 n LYS 178 Ca 0.04 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.68 1xs6 n LYS 178 Cb 0.42 -1.78 0.20 0.00 -0.02 0.00 0.00 35.03 33.85 1xs6 n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xs6 n TYR 179 N -3.12 0.58 -1.65 2.13 4.02 -1.26 -5.01 117.16 112.84 1xs6 n TYR 179 Ca -0.19 -1.16 -0.33 0.00 -0.01 0.00 0.00 57.90 56.21 1xs6 n TYR 179 Cb 1.05 -0.30 0.06 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 -2.99 2.68 -1.58 -0.72 0.52 -1.26 -3.34 118.95 112.25 1xs6 s ARG 180 Ca 0.39 1.35 -0.09 0.00 -0.52 0.00 0.00 55.73 56.86 1xs6 s ARG 180 Cb 0.34 -1.94 0.08 0.00 0.52 0.00 0.00 34.95 33.95 1xs6 s ARG 180 CO 0.03 -1.34 0.49 -1.71 0.02 0.00 0.00 175.30 172.79 1xs6 n ASN 181 N -2.64 -1.27 -4.59 0.23 2.85 -1.26 -4.85 115.26 103.73 1xs6 n ASN 181 Ca 0.10 -1.08 -0.42 0.00 -0.11 0.00 0.00 54.58 53.06 1xs6 n ASN 181 Cb 0.52 -2.54 -0.02 0.00 1.24 0.00 0.00 39.78 38.98 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 -6.91 3.47 -0.42 1.20 0.74 -1.21 -4.99 119.66 111.54 1xs6 s GLN 182 Ca 0.34 0.79 -0.11 0.00 0.05 0.00 0.00 55.36 56.43 1xs6 s GLN 182 Cb -0.19 -4.06 0.07 0.00 1.10 0.00 0.00 33.01 29.92 1xs6 s GLN 182 CO 0.94 -1.71 0.27 -0.65 -0.55 0.00 0.00 175.29 173.59 1xs6 s GLN 183 N 5.16 2.71 1.59 1.67 -1.52 -1.26 -4.18 119.66 123.83 1xs6 s GLN 183 Ca 0.59 -1.37 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 1xs6 s GLN 183 Cb -0.13 -3.83 0.00 0.00 -0.22 0.00 0.00 33.01 28.83 1xs6 s GLN 183 CO 0.30 -0.91 0.00 0.41 -0.25 0.00 0.00 175.29 174.84 1xs6 n GLY 184 N 4.98 -1.70 3.11 3.09 0.00 -1.26 -4.47 105.19 108.94 1xs6 n GLY 184 Ca -0.11 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 1.30 4.38 -2.03 4.61 0.00 -1.26 -4.80 120.51 122.72 1xs6 n ALA 185 Ca 0.00 -3.75 -0.41 0.00 0.00 0.00 0.00 53.44 49.28 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 4.29 3.34 0.80 0.00 1.01 -1.26 -4.73 120.40 123.85 1xs6 s VAL 186 Ca 0.52 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 1xs6 s VAL 186 Cb 0.10 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1xs6 s VAL 186 CO 0.00 0.17 1.11 0.00 0.00 0.00 0.00 175.10 176.38 1xs6 s ALA 187 N 0.07 2.32 0.17 5.51 0.00 -1.26 -4.98 121.76 123.59 1xs6 s ALA 187 Ca 0.55 -0.32 -0.33 0.00 0.00 0.00 0.00 51.96 51.86 1xs6 s ALA 187 Cb -0.35 -3.07 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 1xs6 s ALA 187 CO 0.38 -1.71 1.19 0.45 0.00 0.00 0.00 175.76 176.07 1xs6 n SER 188 N -3.40 1.47 -1.76 0.00 2.88 -1.26 -4.90 113.62 106.64 1xs6 n SER 188 Ca 0.07 1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 58.56 1xs6 n SER 188 Cb 0.57 -1.23 0.11 0.00 -0.75 0.00 0.00 64.21 62.92 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 1.82 2.63 0.32 -1.46 1.74 -1.26 -4.78 116.66 115.67 1xs6 n ARG 189 Ca 0.15 -3.54 0.20 0.00 -0.77 0.00 0.00 57.85 53.89 1xs6 n ARG 189 Cb 0.25 -2.09 1.05 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 1.39 0.00 0.00 0.55 6.09 -1.96 -1.02 117.51 122.56 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 1.47 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.61 1xs6 h ILE 190 CO 0.82 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.00 1xs6 n ASP 191 N -2.94 0.00 -0.40 2.19 5.75 -1.26 -2.79 116.55 117.10 1xs6 n ASP 191 Ca -0.03 0.49 0.14 0.00 -0.01 0.00 0.00 54.79 55.38 1xs6 n ASP 191 Cb 0.16 -0.50 0.51 0.00 -1.03 0.00 0.00 41.12 40.26 1xs6 n ASP 191 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xs6 n LYS 192 N -1.50 1.43 0.00 0.11 5.02 -0.39 -4.80 118.16 118.04 1xs6 n LYS 192 Ca 0.04 -0.81 0.01 0.00 -2.02 0.00 0.00 58.31 55.53 1xs6 n LYS 192 Cb 0.21 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1xs6 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63