#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs1 s ARG 2 N 0.00 3.67 0.07 2.12 1.81 -1.26 -3.87 118.95 121.49 1xs1 s ARG 2 Ca 0.00 0.01 -0.31 0.00 -1.72 0.00 0.00 55.73 53.71 1xs1 s ARG 2 Cb 0.00 -2.87 -0.07 0.00 -0.45 0.00 0.00 34.95 31.56 1xs1 s ARG 2 CO 0.00 0.48 1.44 -0.51 -0.68 0.00 0.00 175.30 176.02 1xs1 s LEU 3 N -2.48 4.35 0.92 2.53 1.43 -0.02 -5.01 118.68 120.40 1xs1 s LEU 3 Ca 0.39 2.28 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 1xs1 s LEU 3 Cb -0.12 -3.57 0.14 0.00 0.03 0.00 0.00 46.19 42.66 1xs1 s LEU 3 CO 0.22 -0.71 1.12 0.00 0.23 0.00 0.00 176.35 177.21 1xs1 h ASP 5 N -1.55 0.55 -0.29 0.00 3.04 -1.35 -0.46 116.42 116.35 1xs1 h ASP 5 Ca -0.51 0.04 -0.03 0.00 -3.24 0.00 0.00 57.03 53.29 1xs1 h ASP 5 Cb 1.32 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 39.53 1xs1 h ASP 5 CO 0.60 0.34 0.10 -0.09 -2.04 0.00 0.00 179.24 178.16 1xs1 h ARG 6 N 0.68 0.52 0.11 4.15 9.65 -1.93 -1.55 114.38 126.01 1xs1 h ARG 6 Ca 0.32 -0.08 -0.26 0.00 -1.10 0.00 0.00 59.98 58.86 1xs1 h ARG 6 Cb 0.23 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1xs1 h ARG 6 CO -0.20 0.47 -1.20 -0.44 2.80 0.00 0.00 179.97 181.39 1xs1 h ASP 7 N 0.52 0.35 -0.51 -3.80 3.32 -1.52 -2.57 116.42 112.21 1xs1 h ASP 7 Ca 0.12 -0.38 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1xs1 h ASP 7 Cb 0.18 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1xs1 h ASP 7 CO -0.01 1.30 0.25 0.40 -1.72 0.00 0.00 179.24 179.46 1xs1 h ILE 8 N 0.06 0.94 -0.76 0.35 2.04 -0.87 0.65 117.51 119.91 1xs1 h ILE 8 Ca -0.11 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.68 1xs1 h ILE 8 Cb 1.94 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 1xs1 h ILE 8 CO 0.19 0.09 0.50 -0.33 0.00 0.00 0.00 178.15 178.60 1xs1 h GLU 9 N 0.48 0.65 0.03 2.37 5.08 -1.14 -0.05 114.58 122.01 1xs1 h GLU 9 Ca 0.23 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.30 1xs1 h GLU 9 Cb 0.15 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xs1 h GLU 9 CO -0.17 0.43 -1.01 0.00 -1.00 0.00 0.00 179.01 177.26 1xs1 h ALA 10 N 1.62 0.08 -0.96 3.43 0.00 -0.91 -0.29 119.26 122.23 1xs1 h ALA 10 Ca 0.35 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xs1 h ALA 10 Cb 0.48 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1xs1 h ALA 10 CO -0.13 0.61 0.58 -1.49 0.00 0.00 0.00 179.25 178.83 1xs1 h TRP 11 N 0.25 1.26 -0.16 0.00 4.06 -0.37 0.85 115.95 121.84 1xs1 h TRP 11 Ca -0.14 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.76 1xs1 h TRP 11 Cb 1.68 -0.41 -0.01 0.00 -1.00 0.00 0.00 29.16 29.41 1xs1 h TRP 11 CO 0.12 0.83 -0.13 -0.07 -3.56 0.00 0.00 178.44 175.63 1xs1 h LEU 12 N 1.32 0.24 0.02 -4.49 3.38 -0.99 -1.30 115.31 113.48 1xs1 h LEU 12 Ca 0.34 -0.05 -0.26 0.00 0.09 0.00 0.00 57.88 58.00 1xs1 h LEU 12 Cb -0.07 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xs1 h LEU 12 CO -0.07 0.39 -1.04 0.44 0.09 0.00 0.00 178.44 178.26 1xs1 h ASP 13 N 0.24 0.89 0.64 -0.43 3.32 0.80 -3.08 116.42 118.79 1xs1 h ASP 13 Ca 0.05 -0.75 -0.01 0.00 0.02 0.00 0.00 57.03 56.33 1xs1 h ASP 13 Cb 0.38 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xs1 h ASP 13 CO 0.02 1.53 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.92 1xs1 h GLU 14 N 0.34 0.00 0.00 3.56 4.81 0.86 -3.47 114.58 120.69 1xs1 h GLU 14 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xs1 h GLU 14 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1xs1 h GLU 14 CO 0.20 0.07 0.00 0.41 -0.73 0.00 0.00 179.01 178.97 1xs1 n GLY 15 N -0.35 0.68 0.14 1.92 0.00 -0.51 -4.93 105.19 102.14 1xs1 n GLY 15 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1xs1 n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xs1 h ARG 16 N 2.03 0.00 -5.30 1.61 2.47 -1.86 -3.41 114.38 109.92 1xs1 h ARG 16 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1xs1 h ARG 16 Cb 0.00 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.20 1xs1 h ARG 16 CO 0.00 0.00 -0.38 -1.17 0.56 0.00 0.00 179.97 178.98 1xs1 s LEU 17 N -5.34 4.18 -0.01 3.04 2.96 -1.24 -3.54 118.68 118.72 1xs1 s LEU 17 Ca 0.05 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1xs1 s LEU 17 Cb 0.09 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1xs1 s LEU 17 CO 0.71 0.06 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.74 1xs1 s SER 18 N 0.77 1.49 -0.20 3.68 1.04 -0.82 -4.18 113.70 115.49 1xs1 s SER 18 Ca 0.13 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 1xs1 s SER 18 Cb -0.13 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 65.87 1xs1 s SER 18 CO 0.04 0.15 0.06 -0.63 0.98 0.00 0.00 173.24 173.84 1xs1 s ILE 19 N -0.26 0.33 -0.22 -1.02 1.01 -1.26 -0.14 121.20 119.63 1xs1 s ILE 19 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1xs1 s ILE 19 Cb -0.05 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.53 1xs1 s ILE 19 CO -0.00 -0.28 -0.14 0.20 0.00 0.00 0.00 174.94 174.72 1xs1 s ASN 20 N 1.94 3.84 0.36 3.58 0.01 -0.31 -0.24 114.94 124.13 1xs1 s ASN 20 Ca 0.01 -0.95 -0.25 0.00 -0.71 0.00 0.00 52.86 50.96 1xs1 s ASN 20 Cb -0.17 -1.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.85 1xs1 s ASN 20 CO -0.10 -0.09 0.98 -2.84 -1.51 0.00 0.00 177.10 173.54 1xs1 s PRO 21 N 1.24 4.40 -0.10 -0.60 0.02 -1.26 -0.85 135.00 137.84 1xs1 s PRO 21 Ca -0.01 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.08 1xs1 s PRO 21 Cb -0.16 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1xs1 s PRO 21 CO -0.08 0.10 1.61 0.50 -0.33 0.00 0.00 177.00 178.80 1xs1 s ARG 22 N -2.34 4.08 0.47 5.54 3.52 0.66 -4.87 118.95 126.01 1xs1 s ARG 22 Ca 0.54 2.02 -0.24 0.00 -0.13 0.00 0.00 55.73 57.92 1xs1 s ARG 22 Cb -0.18 -3.98 -0.08 0.00 -1.56 0.00 0.00 34.95 29.15 1xs1 s ARG 22 CO 0.24 -0.95 1.33 -2.30 -0.81 0.00 0.00 175.30 172.80 1xs1 n PRO 23 N 7.22 1.92 -1.53 5.12 -0.02 -1.26 -4.99 135.00 141.45 1xs1 n PRO 23 Ca 0.17 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 1xs1 n PRO 23 Cb 0.44 -2.49 0.14 0.00 -0.02 0.00 0.00 33.50 31.56 1xs1 n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xs1 s PRO 24 N -2.47 1.06 0.54 0.52 0.04 -1.26 -4.84 135.00 128.59 1xs1 s PRO 24 Ca 0.64 0.26 0.24 0.00 0.04 0.00 0.00 61.00 62.19 1xs1 s PRO 24 Cb -0.46 -1.83 1.42 0.00 0.04 0.00 0.00 34.50 33.66 1xs1 s PRO 24 CO 0.55 -2.25 2.04 0.28 0.04 0.00 0.00 177.00 177.66 1xs1 h VAL 25 N -1.53 0.73 -0.00 -0.36 2.07 -1.94 0.32 116.25 115.54 1xs1 h VAL 25 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1xs1 h VAL 25 Cb 1.33 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1xs1 h VAL 25 CO 0.60 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.87 1xs1 h GLU 26 N 0.00 0.00 -0.36 1.57 3.07 -2.03 -2.42 114.58 114.41 1xs1 h GLU 26 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1xs1 h GLU 26 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1xs1 h GLU 26 CO -0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 1xs1 n ARG 27 N -3.67 2.96 -3.84 2.33 5.12 0.11 -4.83 116.66 114.84 1xs1 n ARG 27 Ca -0.03 -2.36 -0.29 0.00 -1.93 0.00 0.00 57.85 53.24 1xs1 n ARG 27 Cb 0.08 -1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 29.73 1xs1 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs1 s ILE 28 N -1.58 0.99 0.14 0.55 1.01 -0.91 -1.61 121.20 119.79 1xs1 s ILE 28 Ca 0.32 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1xs1 s ILE 28 Cb 0.20 -1.33 0.05 0.00 0.01 0.00 0.00 42.46 41.39 1xs1 s ILE 28 CO 0.15 -0.09 0.49 0.54 0.00 0.00 0.00 174.94 176.03 1xs1 s ASN 29 N 1.66 -0.38 1.60 3.58 2.20 -0.54 -4.91 114.94 118.15 1xs1 s ASN 29 Ca -0.02 -0.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.73 1xs1 s ASN 29 Cb -0.17 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 1xs1 s ASN 29 CO -0.07 -0.90 0.00 0.61 -2.94 0.00 0.00 177.10 173.80 1xs1 n GLY 30 N -0.29 1.09 1.12 0.45 0.00 -1.26 -0.59 105.19 105.72 1xs1 n GLY 30 Ca -0.16 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1xs1 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 n ALA 31 N 9.06 2.62 -2.53 4.61 0.00 -1.26 -1.01 120.51 131.99 1xs1 n ALA 31 Ca 0.00 -2.43 -0.08 0.00 0.00 0.00 0.00 53.44 50.93 1xs1 n ALA 31 Cb 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 1xs1 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs1 s THR 32 N -0.87 0.16 -0.17 0.00 -4.23 0.25 -4.41 115.64 106.37 1xs1 s THR 32 Ca 0.31 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1xs1 s THR 32 Cb 0.34 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1xs1 s THR 32 CO -0.12 -0.73 -0.01 0.68 -0.54 0.00 0.00 174.62 173.89 1xs1 s VAL 33 N -2.89 4.05 0.54 2.29 -7.23 -0.49 -1.46 120.40 115.21 1xs1 s VAL 33 Ca -0.03 -0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.66 1xs1 s VAL 33 Cb 0.00 -2.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 1xs1 s VAL 33 CO -0.06 0.48 1.10 -1.81 -0.31 0.00 0.00 175.10 174.49 1xs1 s ASP 34 N 0.45 5.85 0.20 4.85 1.01 -0.63 -0.00 116.67 128.40 1xs1 s ASP 34 Ca -0.02 2.07 0.08 0.00 0.71 0.00 0.00 52.55 55.39 1xs1 s ASP 34 Cb -0.14 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1xs1 s ASP 34 CO 0.02 -1.12 -0.15 0.68 0.21 0.00 0.00 175.17 174.81 1xs1 s VAL 35 N -1.92 1.76 0.25 -1.27 -7.23 -0.89 -4.86 120.40 106.24 1xs1 s VAL 35 Ca 0.70 -2.15 0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1xs1 s VAL 35 Cb -0.21 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1xs1 s VAL 35 CO 0.27 -0.54 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.19 1xs1 s ARG 36 N -3.46 1.67 0.14 4.82 0.52 -1.26 -0.26 118.95 121.13 1xs1 s ARG 36 Ca 0.21 -1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 53.46 1xs1 s ARG 36 Cb -0.02 -1.82 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 1xs1 s ARG 36 CO 0.07 0.36 0.99 -1.17 0.02 0.00 0.00 175.30 175.57 1xs1 s LEU 37 N -3.24 4.52 0.00 2.53 2.96 -0.75 0.15 118.68 124.84 1xs1 s LEU 37 Ca 0.27 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1xs1 s LEU 37 Cb -0.06 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1xs1 s LEU 37 CO 0.14 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 1xs1 n GLY 38 N 2.11 0.40 0.25 7.98 0.00 -0.22 -0.51 105.19 115.20 1xs1 n GLY 38 Ca 0.02 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1xs1 n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xs1 n ASN 39 N 0.00 1.77 -4.48 1.61 2.85 -1.26 -4.17 115.26 111.58 1xs1 n ASN 39 Ca 0.00 -2.91 -0.33 0.00 -0.11 0.00 0.00 54.58 51.22 1xs1 n ASN 39 Cb 0.00 -0.39 -0.13 0.00 1.24 0.00 0.00 39.78 40.51 1xs1 n ASN 39 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1xs1 s LYS 40 N -2.24 3.34 0.05 1.20 1.02 -1.25 -3.09 119.74 118.76 1xs1 s LYS 40 Ca 0.26 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.59 1xs1 s LYS 40 Cb 0.23 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1xs1 s LYS 40 CO 0.01 0.34 0.17 -0.06 -0.92 0.00 0.00 175.35 174.89 1xs1 s PHE 41 N 0.05 0.12 0.00 3.18 0.40 0.18 -3.71 117.98 118.19 1xs1 s PHE 41 Ca -0.02 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1xs1 s PHE 41 Cb -0.14 -0.07 -0.00 0.00 0.51 0.00 0.00 43.02 43.32 1xs1 s PHE 41 CO 0.03 -0.44 -0.02 1.03 0.70 0.00 0.00 175.22 176.53 1xs1 s ARG 42 N -2.87 0.13 0.40 0.44 0.52 -0.79 0.14 118.95 116.92 1xs1 s ARG 42 Ca -0.03 -0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1xs1 s ARG 42 Cb 0.00 -0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.38 1xs1 s ARG 42 CO -0.06 0.03 0.12 0.25 0.02 0.00 0.00 175.30 175.66 1xs1 n THR 43 N 2.98 0.00 -4.32 0.02 -2.24 -1.26 -1.29 114.28 108.17 1xs1 n THR 43 Ca -0.13 -1.76 -0.29 0.00 -2.27 0.00 0.00 64.05 59.60 1xs1 n THR 43 Cb 0.59 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.89 1xs1 n THR 43 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xs1 s PHE 44 N -2.27 2.49 -0.46 4.78 0.40 -1.26 -2.04 117.98 119.62 1xs1 s PHE 44 Ca 0.09 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1xs1 s PHE 44 Cb -0.01 -1.31 0.13 0.00 0.51 0.00 0.00 43.02 42.34 1xs1 s PHE 44 CO 0.06 0.39 0.21 1.03 0.70 0.00 0.00 175.22 177.61 1xs1 s ARG 45 N -2.20 1.63 0.58 0.44 0.52 0.21 -4.89 118.95 115.24 1xs1 s ARG 45 Ca 0.18 -2.24 0.34 0.00 -0.52 0.00 0.00 55.73 53.48 1xs1 s ARG 45 Cb -0.10 -2.94 1.77 0.00 0.52 0.00 0.00 34.95 34.20 1xs1 s ARG 45 CO 0.10 -1.09 2.17 0.78 0.02 0.00 0.00 175.30 177.27 1xs1 h GLY 46 N 6.82 0.00 1.40 -3.53 0.00 -1.92 -3.22 103.07 102.63 1xs1 h GLY 46 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1xs1 h GLY 46 CO 0.59 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.74 1xs1 n HIS 47 N -3.39 0.00 0.34 5.60 1.44 -1.26 -1.82 115.22 116.13 1xs1 n HIS 47 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.81 1xs1 n HIS 47 Cb 0.19 -0.20 0.03 0.00 0.12 0.00 0.00 29.99 30.12 1xs1 n HIS 47 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1xs1 n THR 48 N -1.20 0.36 -3.77 0.61 -2.24 -1.21 -4.99 114.28 101.83 1xs1 n THR 48 Ca 0.08 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1xs1 n THR 48 Cb 0.10 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 1xs1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs1 s ALA 49 N -3.28 -0.63 0.05 6.98 0.00 -0.76 -5.02 121.76 119.10 1xs1 s ALA 49 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 1xs1 s ALA 49 Cb 0.12 0.30 -0.30 0.00 0.00 0.00 0.00 23.12 23.24 1xs1 s ALA 49 CO 0.79 -0.40 1.08 0.00 0.00 0.00 0.00 175.76 177.24 1xs1 h ALA 50 N 3.30 -0.03 -2.67 0.00 0.00 -1.94 -3.48 119.26 114.45 1xs1 h ALA 50 Ca -0.32 -0.82 0.12 0.00 0.00 0.00 0.00 54.91 53.89 1xs1 h ALA 50 Cb 1.20 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1xs1 h ALA 50 CO 0.46 0.75 0.38 -0.59 0.00 0.00 0.00 179.25 180.25 1xs1 s PHE 51 N -2.80 -0.09 -0.14 0.00 -0.00 -1.26 -5.15 117.98 108.54 1xs1 s PHE 51 Ca -0.08 -0.33 -0.00 0.00 -0.00 0.00 0.00 56.93 56.52 1xs1 s PHE 51 Cb 0.05 0.70 -0.01 0.00 -0.00 0.00 0.00 43.02 43.76 1xs1 s PHE 51 CO 0.93 -1.07 -0.14 0.42 -0.00 0.00 0.00 175.22 175.36 1xs1 s ILE 52 N -3.23 2.90 -0.86 -4.49 1.01 -1.26 -5.03 121.20 110.23 1xs1 s ILE 52 Ca 0.13 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1xs1 s ILE 52 Cb -0.04 -2.22 0.18 0.00 0.01 0.00 0.00 42.46 40.39 1xs1 s ILE 52 CO 0.05 0.51 0.92 -0.62 0.00 0.00 0.00 174.94 175.81 1xs1 s ASP 53 N 0.60 6.68 0.48 3.58 -1.08 -1.26 -4.90 116.67 120.76 1xs1 s ASP 53 Ca -0.08 -2.36 0.31 0.00 -0.52 0.00 0.00 52.55 49.90 1xs1 s ASP 53 Cb -0.16 -2.30 1.40 0.00 -1.46 0.00 0.00 42.92 40.41 1xs1 s ASP 53 CO 0.03 -0.81 1.74 -0.07 0.52 0.00 0.00 175.17 176.58 1xs1 h LEU 54 N 9.02 0.19 -1.92 -1.34 3.38 -1.97 -1.34 115.31 121.33 1xs1 h LEU 54 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xs1 h LEU 54 Cb 1.04 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1xs1 h LEU 54 CO 0.92 -0.01 0.00 -1.20 0.09 0.00 0.00 178.44 178.24 1xs1 n SER 55 N -4.40 1.59 -3.26 -0.43 7.64 -1.26 -4.84 113.62 108.67 1xs1 n SER 55 Ca 0.30 -1.49 -0.25 0.00 1.01 0.00 0.00 58.87 58.44 1xs1 n SER 55 Cb 1.24 -0.02 0.23 0.00 -1.01 0.00 0.00 64.21 64.65 1xs1 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xs1 n GLY 56 N -0.09 -3.47 3.62 0.23 0.00 -0.51 -4.84 105.19 100.12 1xs1 n GLY 56 Ca 0.01 -1.36 -0.51 0.00 0.00 0.00 0.00 46.02 44.16 1xs1 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs1 n PRO 57 N -4.84 1.39 -0.30 1.61 -0.02 -1.26 -4.78 135.00 126.80 1xs1 n PRO 57 Ca 0.12 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1xs1 n PRO 57 Cb 0.50 -2.18 0.23 0.00 -0.02 0.00 0.00 33.50 32.02 1xs1 n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xs1 h LYS 58 N 5.28 0.10 -0.56 -0.52 3.64 -1.88 -1.24 116.57 121.39 1xs1 h LYS 58 Ca -0.47 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1xs1 h LYS 58 Cb 1.31 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1xs1 h LYS 58 CO 0.82 0.06 0.36 -0.44 -2.27 0.00 0.00 179.45 177.99 1xs1 h ASP 59 N 0.10 0.61 1.27 4.20 3.32 -1.92 -2.02 116.42 121.98 1xs1 h ASP 59 Ca 0.51 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.48 1xs1 h ASP 59 Cb 0.99 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1xs1 h ASP 59 CO -0.75 0.43 -0.35 -0.33 -1.72 0.00 0.00 179.24 176.52 1xs1 h GLU 60 N 0.72 0.00 -0.15 3.56 5.08 -1.62 -2.71 114.58 119.46 1xs1 h GLU 60 Ca 0.21 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1xs1 h GLU 60 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xs1 h GLU 60 CO -0.06 0.35 -0.74 0.28 -1.00 0.00 0.00 179.01 177.84 1xs1 h VAL 61 N 0.00 1.30 -0.56 3.13 2.07 -0.86 -2.75 116.25 118.58 1xs1 h VAL 61 Ca -0.00 -1.98 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 1xs1 h VAL 61 Cb 1.08 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1xs1 h VAL 61 CO 0.05 0.62 0.10 -1.28 0.02 0.00 0.00 177.57 177.08 1xs1 h SER 62 N 0.49 0.84 -0.34 0.57 0.87 -1.28 -1.56 113.55 113.14 1xs1 h SER 62 Ca -0.04 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 1xs1 h SER 62 Cb 1.35 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1xs1 h SER 62 CO 0.15 0.84 0.07 0.00 -0.53 0.00 0.00 176.83 177.35 1xs1 h ALA 63 N 1.26 0.45 0.17 6.23 0.00 -1.45 -2.83 119.26 123.08 1xs1 h ALA 63 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xs1 h ALA 63 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xs1 h ALA 63 CO 0.01 0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 1xs1 h ALA 64 N 0.91 -0.22 -0.96 0.00 0.00 -1.18 -0.37 119.26 117.44 1xs1 h ALA 64 Ca 0.10 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1xs1 h ALA 64 Cb 0.33 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1xs1 h ALA 64 CO 0.00 -0.58 0.61 -0.07 0.00 0.00 0.00 179.25 179.21 1xs1 h LEU 65 N -0.31 0.80 -0.89 0.00 3.38 -1.34 0.39 115.31 117.34 1xs1 h LEU 65 Ca -0.02 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1xs1 h LEU 65 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xs1 h LEU 65 CO 0.04 0.40 -0.23 0.44 0.09 0.00 0.00 178.44 179.18 1xs1 h ASP 66 N 0.84 0.56 1.12 -0.43 3.32 -1.22 -0.77 116.42 119.84 1xs1 h ASP 66 Ca 0.48 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 57.20 1xs1 h ASP 66 Cb 0.63 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1xs1 h ASP 66 CO -0.25 0.79 -0.70 0.03 -1.72 0.00 0.00 179.24 177.39 1xs1 h ARG 67 N 0.50 0.00 0.00 3.56 3.08 0.15 -3.33 114.38 118.34 1xs1 h ARG 67 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xs1 h ARG 67 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1xs1 h ARG 67 CO 0.05 0.70 -1.29 1.33 -1.07 0.00 0.00 179.97 179.69 1xs1 n VAL 68 N -3.38 0.38 -2.95 2.04 0.24 -0.18 -4.66 118.33 109.83 1xs1 n VAL 68 Ca 0.01 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.40 1xs1 n VAL 68 Cb 0.78 -0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.93 1xs1 n VAL 68 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1xs1 s MET 69 N -3.39 4.35 1.22 7.34 -1.94 -0.31 0.64 119.30 127.21 1xs1 s MET 69 Ca -0.02 0.96 -0.14 0.00 -1.71 0.00 0.00 55.69 54.77 1xs1 s MET 69 Cb 0.11 -3.53 0.30 0.00 2.01 0.00 0.00 34.83 33.73 1xs1 s MET 69 CO 0.83 -0.18 1.01 -1.54 -0.01 0.00 0.00 175.02 175.12 1xs1 s SER 70 N 1.05 0.58 0.88 3.03 1.04 -0.87 -4.89 113.70 114.51 1xs1 s SER 70 Ca 0.38 1.36 -0.11 0.00 0.48 0.00 0.00 55.95 58.06 1xs1 s SER 70 Cb -0.17 -2.09 0.17 0.00 0.10 0.00 0.00 66.02 64.02 1xs1 s SER 70 CO 0.15 -4.43 1.21 -1.81 0.98 0.00 0.00 173.24 169.35 1xs1 s ASP 71 N -2.65 3.60 0.13 7.02 1.11 -1.26 -4.77 116.67 119.85 1xs1 s ASP 71 Ca 0.68 0.14 -0.31 0.00 0.18 0.00 0.00 52.55 53.24 1xs1 s ASP 71 Cb -0.23 -0.32 -0.09 0.00 1.07 0.00 0.00 42.92 43.35 1xs1 s ASP 71 CO 0.64 -2.40 1.44 -0.70 1.18 0.00 0.00 175.17 175.32 1xs1 s GLU 72 N -5.64 4.29 -0.27 8.23 2.12 -1.26 -4.74 118.70 121.43 1xs1 s GLU 72 Ca 0.71 2.16 -0.18 0.00 0.36 0.00 0.00 54.97 58.02 1xs1 s GLU 72 Cb -0.05 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1xs1 s GLU 72 CO 0.50 -0.48 0.51 0.42 -0.54 0.00 0.00 175.26 175.67 1xs1 s ILE 73 N 1.08 5.07 -0.19 -3.70 1.01 0.12 -4.90 121.20 119.70 1xs1 s ILE 73 Ca 0.66 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 62.13 1xs1 s ILE 73 Cb -0.39 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1xs1 s ILE 73 CO 0.31 0.07 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 1xs1 s VAL 74 N 2.31 2.83 0.07 2.92 1.01 -1.25 -0.65 120.40 127.64 1xs1 s VAL 74 Ca 0.21 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1xs1 s VAL 74 Cb -0.16 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1xs1 s VAL 74 CO 0.09 0.48 0.81 -0.76 0.00 0.00 0.00 175.10 175.72 1xs1 s LEU 75 N 1.21 4.48 0.65 3.92 1.43 -1.18 -5.05 118.68 124.14 1xs1 s LEU 75 Ca 0.02 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1xs1 s LEU 75 Cb -0.14 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1xs1 s LEU 75 CO -0.05 0.02 1.04 -1.81 0.23 0.00 0.00 176.35 175.79 1xs1 s ASP 76 N -0.19 5.88 0.26 2.29 1.01 -1.26 -4.86 116.67 119.80 1xs1 s ASP 76 Ca 0.40 1.51 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 1xs1 s ASP 76 Cb -0.21 -2.48 -0.14 0.00 1.01 0.00 0.00 42.92 41.09 1xs1 s ASP 76 CO 0.25 -1.11 1.04 -0.62 0.21 0.00 0.00 175.17 174.95 1xs1 n GLU 77 N -2.89 1.29 -0.68 8.23 -0.58 -1.26 -0.04 120.64 124.70 1xs1 n GLU 77 Ca 0.07 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1xs1 n GLU 77 Cb 0.54 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1xs1 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs1 n GLY 78 N 1.47 1.05 3.84 0.62 0.00 -1.26 -4.99 105.19 105.92 1xs1 n GLY 78 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1xs1 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs1 s GLU 79 N -0.21 4.02 0.24 1.61 2.02 0.94 -5.08 118.70 122.23 1xs1 s GLU 79 Ca 0.00 0.54 0.07 0.00 0.02 0.00 0.00 54.97 55.60 1xs1 s GLU 79 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1xs1 s GLU 79 CO 0.00 0.51 0.16 0.00 0.02 0.00 0.00 175.26 175.95 1xs1 s ALA 80 N -1.39 3.52 -0.25 5.21 0.00 -1.26 -4.65 121.76 122.94 1xs1 s ALA 80 Ca 0.36 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 1xs1 s ALA 80 Cb -0.16 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1xs1 s ALA 80 CO 0.19 0.30 0.39 0.12 0.00 0.00 0.00 175.76 176.76 1xs1 s PHE 81 N -2.08 3.29 -0.42 0.00 5.36 0.75 -4.91 117.98 119.97 1xs1 s PHE 81 Ca 0.32 0.50 -0.20 0.00 -0.96 0.00 0.00 56.93 56.59 1xs1 s PHE 81 Cb -0.08 -2.57 0.02 0.00 -0.34 0.00 0.00 43.02 40.05 1xs1 s PHE 81 CO 0.24 -0.16 0.61 0.71 -1.46 0.00 0.00 175.22 175.17 1xs1 s TYR 82 N 1.82 3.09 -0.39 10.12 1.51 -1.26 -0.47 117.35 131.77 1xs1 s TYR 82 Ca 0.17 -0.03 -0.18 0.00 -1.01 0.00 0.00 57.07 56.02 1xs1 s TYR 82 Cb -0.15 -3.25 0.01 0.00 -0.11 0.00 0.00 41.96 38.45 1xs1 s TYR 82 CO 0.09 -0.80 0.47 -1.17 -1.11 0.00 0.00 175.55 173.03 1xs1 s LEU 83 N 2.71 4.59 0.22 -1.29 2.96 0.71 -4.90 118.68 123.67 1xs1 s LEU 83 Ca 0.21 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1xs1 s LEU 83 Cb -0.15 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 1xs1 s LEU 83 CO 0.18 -0.53 0.46 -1.00 -1.32 0.00 0.00 176.35 174.13 1xs1 s HIS 84 N 2.28 3.47 0.08 5.38 3.76 -1.26 0.72 115.29 129.71 1xs1 s HIS 84 Ca 0.15 0.59 -0.37 0.00 -0.15 0.00 0.00 55.06 55.28 1xs1 s HIS 84 Cb -0.16 -2.04 -0.17 0.00 1.11 0.00 0.00 32.58 31.32 1xs1 s HIS 84 CO 0.14 0.31 1.31 -2.30 -0.85 0.00 0.00 174.74 173.35 1xs1 n PRO 85 N -0.43 1.02 -0.85 8.40 -0.02 -1.26 -2.73 135.00 139.13 1xs1 n PRO 85 Ca -0.02 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1xs1 n PRO 85 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1xs1 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs1 n GLY 86 N 2.40 0.55 2.69 -1.23 0.00 -0.47 -4.99 105.19 104.15 1xs1 n GLY 86 Ca 0.19 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1xs1 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs1 s GLU 87 N -0.48 1.16 0.12 1.61 0.41 -1.10 -4.99 118.70 115.42 1xs1 s GLU 87 Ca 0.00 -1.85 -0.35 0.00 -0.41 0.00 0.00 54.97 52.36 1xs1 s GLU 87 Cb 0.00 -2.20 -0.17 0.00 -1.78 0.00 0.00 34.13 29.99 1xs1 s GLU 87 CO 0.00 -1.15 1.21 -0.11 -0.49 0.00 0.00 175.26 174.72 1xs1 n LEU 88 N 3.71 1.34 -3.99 1.80 7.94 -1.26 -4.63 117.00 121.92 1xs1 n LEU 88 Ca 0.08 1.13 -0.09 0.00 -1.11 0.00 0.00 56.01 56.03 1xs1 n LEU 88 Cb 0.35 -1.17 -0.11 0.00 0.53 0.00 0.00 43.42 43.03 1xs1 n LEU 88 CO 0.22 -1.30 -0.35 0.00 -1.11 0.00 0.00 177.39 174.85 1xs1 s ALA 89 N 0.08 0.15 0.15 1.96 0.00 -0.47 -4.59 121.76 119.05 1xs1 s ALA 89 Ca 0.79 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 1xs1 s ALA 89 Cb -0.94 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 1xs1 s ALA 89 CO 0.50 -0.19 0.43 -0.51 0.00 0.00 0.00 175.76 176.00 1xs1 s LEU 90 N -1.64 4.26 0.00 0.00 1.43 -0.41 -0.32 118.68 122.00 1xs1 s LEU 90 Ca -0.13 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1xs1 s LEU 90 Cb -0.08 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1xs1 s LEU 90 CO -0.02 0.05 0.00 0.00 0.23 0.00 0.00 176.35 176.61 1xs1 n ALA 91 N 0.23 0.00 -3.19 4.21 0.00 0.22 -1.88 120.51 120.09 1xs1 n ALA 91 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1xs1 n ALA 91 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1xs1 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs1 s VAL 92 N -1.82 0.06 0.60 0.00 0.11 -1.24 -1.65 120.40 116.45 1xs1 s VAL 92 Ca 0.00 -0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 58.43 1xs1 s VAL 92 Cb 0.00 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1xs1 s VAL 92 CO 0.00 -0.25 1.06 0.42 -3.33 0.00 0.00 175.10 173.00 1xs1 s THR 93 N -1.93 3.77 0.08 5.04 -4.23 -0.17 -1.05 115.64 117.15 1xs1 s THR 93 Ca -0.09 0.84 -0.23 0.00 -1.18 0.00 0.00 61.69 61.04 1xs1 s THR 93 Cb -0.02 -3.37 -0.14 0.00 1.34 0.00 0.00 72.50 70.30 1xs1 s THR 93 CO 0.01 -0.49 1.66 0.25 -0.54 0.00 0.00 174.62 175.51 1xs1 h LEU 94 N 0.43 0.05 -9.97 4.79 5.85 0.11 -3.39 115.31 113.18 1xs1 h LEU 94 Ca -0.47 -0.09 -0.51 0.00 0.84 0.00 0.00 57.88 57.66 1xs1 h LEU 94 Cb 1.22 -0.01 0.06 0.00 0.37 0.00 0.00 40.66 42.30 1xs1 h LEU 94 CO 0.57 0.12 0.51 -1.61 -0.34 0.00 0.00 178.44 177.69 1xs1 s GLU 95 N -5.85 3.93 -0.07 1.25 8.01 -1.26 -4.77 118.70 119.94 1xs1 s GLU 95 Ca -0.13 1.84 -0.08 0.00 0.01 0.00 0.00 54.97 56.61 1xs1 s GLU 95 Cb 0.06 -2.58 -0.04 0.00 -4.31 0.00 0.00 34.13 27.25 1xs1 s GLU 95 CO 0.67 -0.43 0.20 0.45 0.01 0.00 0.00 175.26 176.16 1xs1 s SER 96 N -1.18 6.46 -0.02 -0.19 0.15 -0.03 -3.96 113.70 114.92 1xs1 s SER 96 Ca 0.60 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.84 1xs1 s SER 96 Cb -0.31 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1xs1 s SER 96 CO 0.38 0.36 -0.20 -0.69 1.20 0.00 0.00 173.24 174.29 1xs1 s VAL 97 N -1.11 1.61 -0.12 4.45 1.01 0.52 -1.16 120.40 125.60 1xs1 s VAL 97 Ca 0.19 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1xs1 s VAL 97 Cb -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1xs1 s VAL 97 CO 0.09 0.46 -0.09 -0.89 0.00 0.00 0.00 175.10 174.66 1xs1 s THR 98 N -0.38 1.14 -0.11 3.92 2.01 0.79 -0.68 115.64 122.33 1xs1 s THR 98 Ca 0.05 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1xs1 s THR 98 Cb -0.09 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1xs1 s THR 98 CO -0.00 0.39 0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 1xs1 s LEU 99 N 1.60 3.82 1.09 4.42 1.43 0.21 -1.95 118.68 129.31 1xs1 s LEU 99 Ca 0.04 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 1xs1 s LEU 99 Cb -0.13 -1.91 0.24 0.00 0.03 0.00 0.00 46.19 44.42 1xs1 s LEU 99 CO -0.08 0.34 1.12 -2.16 0.23 0.00 0.00 176.35 175.80 1xs1 s PRO 100 N -0.65 -0.35 0.00 1.29 0.04 -1.23 -1.96 135.00 132.13 1xs1 s PRO 100 Ca 0.11 0.13 0.25 0.00 0.04 0.00 0.00 61.00 61.53 1xs1 s PRO 100 Cb -0.12 -1.68 1.26 0.00 0.04 0.00 0.00 34.50 34.00 1xs1 s PRO 100 CO 0.02 -3.17 1.82 0.00 0.04 0.00 0.00 177.00 175.71 1xs1 n ALA 101 N -4.41 2.26 -0.95 8.56 0.00 -1.26 -3.04 120.51 121.66 1xs1 n ALA 101 Ca 0.10 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1xs1 n ALA 101 Cb 0.59 -1.40 0.30 0.00 0.00 0.00 0.00 19.45 18.93 1xs1 n ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xs1 n ASP 102 N -1.26 4.34 -3.87 0.00 5.75 -1.26 -0.33 116.55 119.92 1xs1 n ASP 102 Ca 0.12 -2.96 -0.12 0.00 -0.01 0.00 0.00 54.79 51.82 1xs1 n ASP 102 Cb 0.19 -0.57 -0.14 0.00 -1.03 0.00 0.00 41.12 39.57 1xs1 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs1 s LEU 103 N -2.75 1.92 0.11 -2.12 2.96 -1.17 -0.55 118.68 117.08 1xs1 s LEU 103 Ca 0.45 0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.48 1xs1 s LEU 103 Cb 0.35 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 1xs1 s LEU 103 CO 0.11 -0.02 -0.22 0.54 -1.32 0.00 0.00 176.35 175.44 1xs1 s VAL 104 N -0.04 2.58 0.20 1.68 0.11 -0.83 -3.04 120.40 121.05 1xs1 s VAL 104 Ca -0.01 -1.56 0.11 0.00 -2.93 0.00 0.00 61.98 57.60 1xs1 s VAL 104 Cb -0.01 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 1xs1 s VAL 104 CO 0.00 0.14 -0.21 -0.83 -3.33 0.00 0.00 175.10 170.87 1xs1 s GLY 105 N -1.98 1.74 -0.06 6.54 0.00 0.45 -1.26 107.32 112.75 1xs1 s GLY 105 Ca 0.16 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1xs1 s GLY 105 CO 0.08 -1.68 -0.08 -0.98 0.00 0.00 0.00 173.10 170.43 1xs1 s TRP 106 N -1.80 1.14 -0.16 1.90 0.52 -0.21 -0.30 118.94 120.02 1xs1 s TRP 106 Ca 0.23 -0.41 -0.16 0.00 0.02 0.00 0.00 56.10 55.78 1xs1 s TRP 106 Cb -0.08 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 1xs1 s TRP 106 CO 0.11 -0.27 0.37 -1.17 0.02 0.00 0.00 176.95 176.01 1xs1 s LEU 107 N 0.95 4.22 0.20 2.99 2.96 0.59 -1.41 118.68 129.18 1xs1 s LEU 107 Ca -0.10 0.58 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1xs1 s LEU 107 Cb -0.15 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1xs1 s LEU 107 CO 0.00 0.02 0.12 -1.81 -1.32 0.00 0.00 176.35 173.36 1xs1 s ASP 108 N 0.70 5.33 0.00 3.68 1.01 -0.13 -4.83 116.67 122.43 1xs1 s ASP 108 Ca 0.19 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.22 1xs1 s ASP 108 Cb -0.14 -1.32 0.00 0.00 1.01 0.00 0.00 42.92 42.47 1xs1 s ASP 108 CO 0.07 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1xs1 n GLY 109 N -0.57 1.11 3.00 0.21 0.00 -1.26 -1.21 105.19 106.47 1xs1 n GLY 109 Ca -0.08 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 1xs1 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs1 s ARG 110 N 0.86 1.03 0.39 1.61 0.52 -1.26 -4.23 118.95 117.87 1xs1 s ARG 110 Ca 0.00 -0.30 0.14 0.00 -0.52 0.00 0.00 55.73 55.05 1xs1 s ARG 110 Cb 0.00 -0.95 0.99 0.00 0.52 0.00 0.00 34.95 35.51 1xs1 s ARG 110 CO 0.00 0.09 1.84 1.03 0.02 0.00 0.00 175.30 178.28 1xs1 h SER 111 N 6.50 0.51 0.18 0.23 0.87 -1.98 0.39 113.55 120.24 1xs1 h SER 111 Ca -0.33 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.24 1xs1 h SER 111 Cb 1.17 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1xs1 h SER 111 CO 0.48 0.20 -0.18 0.28 -0.53 0.00 0.00 176.83 177.09 1xs1 h SER 112 N 0.51 0.00 0.14 6.23 0.02 -1.99 -2.19 113.55 116.27 1xs1 h SER 112 Ca 0.49 -0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.17 1xs1 h SER 112 Cb 1.07 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.62 1xs1 h SER 112 CO -0.22 0.18 -1.30 -0.07 -1.14 0.00 0.00 176.83 174.29 1xs1 h LEU 113 N 0.00 0.47 -0.99 5.07 3.38 -0.71 -3.35 115.31 119.17 1xs1 h LEU 113 Ca -0.00 -0.89 0.18 0.00 0.09 0.00 0.00 57.88 57.26 1xs1 h LEU 113 Cb 0.32 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 1xs1 h LEU 113 CO 0.02 1.59 0.60 0.00 0.09 0.00 0.00 178.44 180.74 1xs1 h ALA 114 N 0.02 1.62 0.00 1.53 0.00 -0.47 0.24 119.26 122.19 1xs1 h ALA 114 Ca -0.26 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xs1 h ALA 114 Cb 1.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1xs1 h ALA 114 CO 0.11 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.87 1xs1 n ARG 115 N -4.77 0.43 -0.07 0.00 1.74 -0.85 -1.07 116.66 112.08 1xs1 n ARG 115 Ca 0.22 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.39 1xs1 n ARG 115 Cb 0.54 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.55 1xs1 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs1 n LEU 116 N -1.17 2.27 0.00 0.55 4.77 0.02 -5.01 117.00 118.44 1xs1 n LEU 116 Ca 0.12 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1xs1 n LEU 116 Cb 0.12 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1xs1 n LEU 116 CO 0.14 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1xs1 n GLY 117 N 0.14 0.66 3.46 -0.72 0.00 -0.23 -3.99 105.19 104.51 1xs1 n GLY 117 Ca 0.06 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 1xs1 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs1 s LEU 118 N 0.00 4.93 0.19 0.99 2.96 -0.92 0.36 118.68 127.19 1xs1 s LEU 118 Ca 0.00 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.77 1xs1 s LEU 118 Cb 0.00 -2.46 -0.08 0.00 0.50 0.00 0.00 46.19 44.15 1xs1 s LEU 118 CO 0.00 -0.84 0.94 -0.04 -1.32 0.00 0.00 176.35 175.09 1xs1 s MET 119 N 2.55 4.78 0.00 1.98 -1.94 -0.52 -4.09 119.30 122.08 1xs1 s MET 119 Ca 0.15 1.45 0.18 0.00 -1.71 0.00 0.00 55.69 55.76 1xs1 s MET 119 Cb -0.19 -3.32 -0.18 0.00 2.01 0.00 0.00 34.83 33.16 1xs1 s MET 119 CO 0.13 0.41 0.77 1.33 -0.01 0.00 0.00 175.02 177.65 1xs1 n VAL 120 N 1.98 0.00 -4.07 -6.03 0.24 -1.26 -2.57 118.33 106.63 1xs1 n VAL 120 Ca -0.01 -0.10 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 1xs1 n VAL 120 Cb 0.48 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1xs1 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs1 s HIS 121 N -2.63 0.69 -0.69 6.34 -3.43 -1.17 -2.27 115.29 112.12 1xs1 s HIS 121 Ca 0.07 -0.99 0.05 0.00 -0.80 0.00 0.00 55.06 53.39 1xs1 s HIS 121 Cb 0.14 -0.06 0.17 0.00 -1.43 0.00 0.00 32.58 31.40 1xs1 s HIS 121 CO 0.71 -0.92 0.47 0.08 -2.00 0.00 0.00 174.74 173.08 1xs1 s VAL 122 N -3.90 2.85 -1.21 -5.38 1.01 -1.26 -4.84 120.40 107.68 1xs1 s VAL 122 Ca 0.28 -4.20 -0.35 0.00 0.00 0.00 0.00 61.98 57.72 1xs1 s VAL 122 Cb 0.01 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.56 1xs1 s VAL 122 CO 0.12 -0.99 0.69 0.35 0.00 0.00 0.00 175.10 175.26 1xs1 n THR 123 N 2.06 -2.82 -2.87 3.92 -2.24 -1.26 -4.93 114.28 106.15 1xs1 n THR 123 Ca 0.19 -0.61 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 1xs1 n THR 123 Cb 0.35 -2.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.22 1xs1 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs1 s ALA 124 N -3.52 -4.10 -0.04 6.98 0.00 -1.26 -5.05 121.76 114.78 1xs1 s ALA 124 Ca 0.49 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.64 1xs1 s ALA 124 Cb -0.27 -2.96 0.08 0.00 0.00 0.00 0.00 23.12 19.97 1xs1 s ALA 124 CO 0.97 -2.42 1.04 -2.39 0.00 0.00 0.00 175.76 172.96 1xs1 n HIS 125 N 3.92 0.00 -3.33 0.00 -0.00 -1.26 -4.91 115.22 109.64 1xs1 n HIS 125 Ca 0.07 -0.28 -0.39 0.00 -0.00 0.00 0.00 57.72 57.12 1xs1 n HIS 125 Cb 0.62 -0.08 -0.08 0.00 -0.00 0.00 0.00 29.99 30.45 1xs1 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs1 s ARG 126 N -0.79 4.07 -0.44 -1.40 3.52 -1.26 -0.30 118.95 122.34 1xs1 s ARG 126 Ca 0.09 0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 55.73 1xs1 s ARG 126 Cb 0.08 -3.63 0.06 0.00 -1.56 0.00 0.00 34.95 29.90 1xs1 s ARG 126 CO 0.01 -0.25 0.34 0.42 -0.81 0.00 0.00 175.30 175.01 1xs1 s ILE 127 N 1.99 5.02 0.63 4.11 -1.09 0.59 -4.99 121.20 127.46 1xs1 s ILE 127 Ca 0.18 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.42 1xs1 s ILE 127 Cb -0.15 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1xs1 s ILE 127 CO 0.09 -0.49 1.08 -1.81 -1.23 0.00 0.00 174.94 172.58 1xs1 s ASP 128 N 2.28 5.49 0.11 3.58 1.01 -1.26 -0.41 116.67 127.46 1xs1 s ASP 128 Ca 0.04 1.86 -0.33 0.00 0.71 0.00 0.00 52.55 54.83 1xs1 s ASP 128 Cb -0.23 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.04 1xs1 s ASP 128 CO 0.07 -1.36 1.70 -0.81 0.21 0.00 0.00 175.17 174.97 1xs1 n PRO 129 N -2.28 2.33 0.00 8.23 -0.04 -1.17 -1.23 135.00 140.84 1xs1 n PRO 129 Ca 0.09 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1xs1 n PRO 129 Cb 0.53 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1xs1 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs1 n GLY 130 N 3.80 1.46 3.76 0.55 0.00 -0.83 0.07 105.19 114.00 1xs1 n GLY 130 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1xs1 n GLY 130 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs1 s TRP 131 N -2.32 2.69 -0.13 1.61 -0.11 -0.36 -3.17 118.94 117.15 1xs1 s TRP 131 Ca 0.00 0.89 -0.05 0.00 1.22 0.00 0.00 56.10 58.16 1xs1 s TRP 131 Cb 0.00 -4.07 0.06 0.00 -1.50 0.00 0.00 33.47 27.97 1xs1 s TRP 131 CO 0.00 -3.45 0.26 0.45 -4.62 0.00 0.00 176.95 169.60 1xs1 s SER 132 N 0.31 0.32 0.00 5.86 0.15 -1.25 0.66 113.70 119.75 1xs1 s SER 132 Ca 0.60 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1xs1 s SER 132 Cb -0.48 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1xs1 s SER 132 CO 0.53 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1xs1 n GLY 133 N 5.30 1.98 3.81 9.45 0.00 0.14 -3.40 105.19 122.47 1xs1 n GLY 133 Ca -0.07 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1xs1 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ILE 135 N -2.71 4.71 0.38 0.00 1.01 -1.25 -4.68 121.20 118.66 1xs1 s ILE 135 Ca 0.61 -0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.96 1xs1 s ILE 135 Cb -0.15 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1xs1 s ILE 135 CO 0.44 0.34 1.17 -0.69 0.00 0.00 0.00 174.94 176.20 1xs1 s VAL 136 N 1.40 3.15 0.00 2.92 1.01 -1.26 -1.00 120.40 126.62 1xs1 s VAL 136 Ca 0.06 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.11 1xs1 s VAL 136 Cb -0.15 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1xs1 s VAL 136 CO 0.05 0.12 -0.23 -0.76 0.00 0.00 0.00 175.10 174.28 1xs1 s LEU 137 N -2.32 2.08 -0.38 3.92 1.43 -0.66 -4.92 118.68 117.83 1xs1 s LEU 137 Ca 0.55 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1xs1 s LEU 137 Cb -0.32 -1.17 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1xs1 s LEU 137 CO 0.40 0.26 0.10 -1.61 0.23 0.00 0.00 176.35 175.73 1xs1 s GLU 138 N -0.73 1.59 -0.02 1.70 8.01 -0.96 -0.61 118.70 127.68 1xs1 s GLU 138 Ca 0.09 -2.05 -0.24 0.00 0.01 0.00 0.00 54.97 52.78 1xs1 s GLU 138 Cb -0.09 -3.22 -0.04 0.00 -4.31 0.00 0.00 34.13 26.46 1xs1 s GLU 138 CO -0.00 -0.98 0.72 -0.06 0.01 0.00 0.00 175.26 174.95 1xs1 s PHE 139 N 0.62 3.65 -0.08 1.61 2.99 0.56 -3.07 117.98 124.26 1xs1 s PHE 139 Ca 0.12 1.34 -0.00 0.00 0.00 0.00 0.00 56.93 58.39 1xs1 s PHE 139 Cb -0.21 -2.80 0.02 0.00 0.00 0.00 0.00 43.02 40.04 1xs1 s PHE 139 CO -0.06 0.18 -0.04 -0.47 -0.00 0.00 0.00 175.22 174.83 1xs1 s TYR 140 N 0.38 1.01 -0.62 0.36 5.04 -1.06 -1.36 117.35 121.10 1xs1 s TYR 140 Ca 0.38 -0.39 -0.21 0.00 -2.44 0.00 0.00 57.07 54.41 1xs1 s TYR 140 Cb -0.19 -0.94 0.09 0.00 0.35 0.00 0.00 41.96 41.26 1xs1 s TYR 140 CO 0.20 -0.37 0.83 1.21 -1.34 0.00 0.00 175.55 176.08 1xs1 s ASN 141 N 1.63 6.18 0.00 4.32 3.84 -1.26 -1.43 114.94 128.22 1xs1 s ASN 141 Ca 0.01 -1.20 0.18 0.00 0.21 0.00 0.00 52.86 52.06 1xs1 s ASN 141 Cb -0.13 -2.36 0.69 0.00 -0.55 0.00 0.00 41.25 38.90 1xs1 s ASN 141 CO -0.05 -1.27 1.50 -1.54 -2.79 0.00 0.00 177.10 172.95 1xs1 n SER 142 N 6.99 1.48 -1.98 -4.21 3.41 0.16 -1.36 113.62 118.10 1xs1 n SER 142 Ca -0.07 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1xs1 n SER 142 Cb 0.44 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1xs1 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 143 N 1.06 0.13 0.19 5.00 0.00 -1.25 -4.87 105.19 105.45 1xs1 n GLY 143 Ca 0.15 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1xs1 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs1 n LYS 144 N -0.92 1.71 -4.62 1.61 4.76 -1.26 -4.69 118.16 114.74 1xs1 n LYS 144 Ca 0.00 -0.41 -0.23 0.00 -2.87 0.00 0.00 58.31 54.80 1xs1 n LYS 144 Cb 0.00 -1.27 -0.15 0.00 -1.84 0.00 0.00 35.03 31.77 1xs1 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs1 s LEU 145 N -2.41 2.08 0.76 -0.35 1.02 -1.26 -4.93 118.68 113.58 1xs1 s LEU 145 Ca 0.10 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.76 1xs1 s LEU 145 Cb 0.13 -0.76 0.06 0.00 0.02 0.00 0.00 46.19 45.63 1xs1 s LEU 145 CO 0.54 0.15 1.22 -2.84 0.02 0.00 0.00 176.35 175.43 1xs1 s PRO 146 N -0.62 1.94 -0.07 1.29 0.02 -1.26 -4.53 135.00 131.76 1xs1 s PRO 146 Ca 0.05 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.89 1xs1 s PRO 146 Cb -0.07 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.66 1xs1 s PRO 146 CO 0.00 -2.00 -0.15 -0.51 -0.33 0.00 0.00 177.00 174.01 1xs1 s LEU 147 N -5.34 1.76 -0.29 -5.54 1.43 0.22 -4.94 118.68 105.98 1xs1 s LEU 147 Ca 0.75 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 1xs1 s LEU 147 Cb -0.30 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1xs1 s LEU 147 CO 0.47 0.07 0.95 0.00 0.23 0.00 0.00 176.35 178.08 1xs1 s ALA 148 N 0.56 3.55 -0.16 4.21 0.00 -1.26 -0.21 121.76 128.45 1xs1 s ALA 148 Ca -0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 1xs1 s ALA 148 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1xs1 s ALA 148 CO 0.05 -1.28 0.03 -0.51 0.00 0.00 0.00 175.76 174.06 1xs1 s LEU 149 N 3.28 3.68 -0.07 0.00 1.43 0.37 -4.91 118.68 122.47 1xs1 s LEU 149 Ca 0.40 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 1xs1 s LEU 149 Cb -0.14 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xs1 s LEU 149 CO 0.12 0.21 -0.22 -0.13 0.23 0.00 0.00 176.35 176.57 1xs1 s ARG 150 N 0.12 2.68 0.31 1.70 0.52 -1.26 -0.18 118.95 122.84 1xs1 s ARG 150 Ca 0.03 -0.85 -0.27 0.00 -0.52 0.00 0.00 55.73 54.13 1xs1 s ARG 150 Cb -0.13 -2.26 -0.14 0.00 0.52 0.00 0.00 34.95 32.94 1xs1 s ARG 150 CO 0.01 0.38 0.93 -2.30 0.02 0.00 0.00 175.30 174.35 1xs1 n PRO 151 N 2.97 1.18 0.00 3.54 -0.02 -1.26 -2.39 135.00 139.02 1xs1 n PRO 151 Ca -0.18 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1xs1 n PRO 151 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1xs1 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs1 n GLY 152 N 1.32 2.56 3.73 -1.23 0.00 0.33 -4.98 105.19 106.92 1xs1 n GLY 152 Ca 0.10 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1xs1 n GLY 152 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xs1 s MET 153 N 0.00 2.24 -0.26 1.61 0.23 -1.00 -4.56 119.30 117.56 1xs1 s MET 153 Ca 0.00 1.74 -0.29 0.00 -1.03 0.00 0.00 55.69 56.12 1xs1 s MET 153 Cb 0.00 -1.85 -0.02 0.00 -1.53 0.00 0.00 34.83 31.43 1xs1 s MET 153 CO 0.00 -1.76 1.70 -0.51 -2.03 0.00 0.00 175.02 172.42 1xs1 s LEU 154 N -5.06 3.74 -0.01 0.18 1.43 -1.26 -1.82 118.68 115.89 1xs1 s LEU 154 Ca 0.74 1.50 0.06 0.00 -1.03 0.00 0.00 54.13 55.40 1xs1 s LEU 154 Cb -0.29 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1xs1 s LEU 154 CO 0.44 -1.44 0.15 0.00 0.23 0.00 0.00 176.35 175.73 1xs1 n ILE 155 N 6.82 0.00 -3.13 -0.59 0.13 0.64 -4.95 119.36 118.28 1xs1 n ILE 155 Ca 0.20 -0.17 0.00 0.00 -1.10 0.00 0.00 62.75 61.69 1xs1 n ILE 155 Cb 0.46 0.45 0.00 0.00 -0.84 0.00 0.00 39.64 39.70 1xs1 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs1 n GLY 156 N 2.02 1.65 3.33 4.50 0.00 -1.02 -4.38 105.19 111.29 1xs1 n GLY 156 Ca -0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1xs1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ALA 157 N -1.00 -1.06 -0.10 4.61 0.00 -0.35 -2.09 121.76 121.77 1xs1 s ALA 157 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1xs1 s ALA 157 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1xs1 s ALA 157 CO 0.00 -0.39 -0.12 -0.51 0.00 0.00 0.00 175.76 174.74 1xs1 s LEU 158 N -1.68 2.78 0.25 0.00 1.43 1.00 -0.96 118.68 121.51 1xs1 s LEU 158 Ca -0.09 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1xs1 s LEU 158 Cb -0.02 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1xs1 s LEU 158 CO 0.02 0.23 -0.01 -0.94 0.23 0.00 0.00 176.35 175.87 1xs1 s SER 159 N -0.05 4.54 -0.00 2.29 1.04 -0.50 -1.40 113.70 119.62 1xs1 s SER 159 Ca -0.02 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1xs1 s SER 159 Cb -0.14 -0.85 -0.01 0.00 0.10 0.00 0.00 66.02 65.12 1xs1 s SER 159 CO 0.04 0.02 -0.07 -0.36 0.98 0.00 0.00 173.24 173.85 1xs1 s PHE 160 N -2.18 0.64 -0.22 5.02 0.40 -1.26 -1.05 117.98 119.32 1xs1 s PHE 160 Ca 0.30 -0.13 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1xs1 s PHE 160 Cb -0.07 -0.41 0.07 0.00 0.51 0.00 0.00 43.02 43.12 1xs1 s PHE 160 CO 0.19 -0.01 0.06 -2.00 0.70 0.00 0.00 175.22 174.16 1xs1 s GLU 161 N -0.20 0.59 0.29 0.44 2.12 -0.38 -0.84 118.70 120.72 1xs1 s GLU 161 Ca 0.02 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1xs1 s GLU 161 Cb -0.03 -1.99 -0.13 0.00 0.26 0.00 0.00 34.13 32.24 1xs1 s GLU 161 CO -0.00 -0.74 1.28 -2.30 -0.54 0.00 0.00 175.26 172.96 1xs1 n PRO 162 N 5.05 1.92 -2.26 4.30 -0.02 -1.25 -1.97 135.00 140.76 1xs1 n PRO 162 Ca -0.07 0.68 -0.25 0.00 -2.02 0.00 0.00 63.50 61.83 1xs1 n PRO 162 Cb 0.46 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.77 1xs1 n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs1 s LEU 163 N -0.30 2.86 0.59 2.45 1.43 0.29 -4.79 118.68 121.21 1xs1 s LEU 163 Ca 0.61 0.31 0.39 0.00 -1.03 0.00 0.00 54.13 54.41 1xs1 s LEU 163 Cb -0.63 -2.89 1.90 0.00 0.03 0.00 0.00 46.19 44.60 1xs1 s LEU 163 CO 0.57 -1.69 2.16 0.77 0.23 0.00 0.00 176.35 178.39 1xs1 h SER 164 N -0.63 0.00 -5.85 2.29 4.64 -1.94 -3.46 113.55 108.61 1xs1 h SER 164 Ca -0.43 0.00 0.35 0.00 -0.47 0.00 0.00 61.79 61.24 1xs1 h SER 164 Cb 1.30 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.30 1xs1 h SER 164 CO 0.55 0.00 0.90 -0.83 -0.87 0.00 0.00 176.83 176.59 1xs1 s GLY 165 N -4.11 -0.25 0.01 -0.77 0.00 -1.26 -5.13 107.32 95.82 1xs1 s GLY 165 Ca -0.02 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 1xs1 s GLY 165 CO 0.45 3.78 1.93 -4.14 0.00 0.00 0.00 173.10 175.12 1xs1 s PRO 166 N -2.12 4.10 0.21 2.90 0.02 -1.26 -4.63 135.00 134.22 1xs1 s PRO 166 Ca 0.24 2.52 -0.32 0.00 0.02 0.00 0.00 61.00 63.46 1xs1 s PRO 166 Cb 0.02 -4.14 -0.14 0.00 0.02 0.00 0.00 34.50 30.25 1xs1 s PRO 166 CO -0.02 -0.99 1.36 0.00 -0.33 0.00 0.00 177.00 177.01 1xs1 n ALA 167 N 7.66 0.56 0.11 -1.55 0.00 0.56 -4.87 120.51 122.97 1xs1 n ALA 167 Ca 0.20 0.43 -0.01 0.00 0.00 0.00 0.00 53.44 54.07 1xs1 n ALA 167 Cb 0.42 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 1xs1 n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xs1 h VAL 168 N 3.01 1.13 -2.71 0.00 2.07 -1.91 -3.36 116.25 114.47 1xs1 h VAL 168 Ca -0.45 -2.60 -0.61 0.00 0.82 0.00 0.00 66.70 63.87 1xs1 h VAL 168 Cb 1.29 2.56 -0.41 0.00 -1.52 0.00 0.00 31.29 33.21 1xs1 h VAL 168 CO 0.75 0.65 -0.70 0.54 0.02 0.00 0.00 177.57 178.83 1xs1 n ARG 169 N -3.27 1.51 -1.56 1.57 1.74 -1.26 -5.10 116.66 110.29 1xs1 n ARG 169 Ca 0.01 -4.15 -0.31 0.00 -0.77 0.00 0.00 57.85 52.64 1xs1 n ARG 169 Cb 0.80 -2.08 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1xs1 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs1 s PRO 170 N -1.28 2.68 0.26 5.56 0.04 -1.26 -4.87 135.00 136.14 1xs1 s PRO 170 Ca 0.30 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1xs1 s PRO 170 Cb 0.02 -1.97 0.40 0.00 0.04 0.00 0.00 34.50 32.99 1xs1 s PRO 170 CO -0.15 -1.26 1.87 -0.92 0.04 0.00 0.00 177.00 176.58 1xs1 h TYR 171 N -0.83 1.12 0.00 0.56 3.20 -0.60 -0.74 116.97 119.69 1xs1 h TYR 171 Ca -0.45 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 1xs1 h TYR 171 Cb 1.23 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 1xs1 h TYR 171 CO 0.58 0.56 -0.16 -2.95 -1.64 0.00 0.00 178.16 174.55 1xs1 h ASN 172 N 1.09 0.00 -0.60 -2.11 -1.07 -1.77 -2.49 115.58 108.63 1xs1 h ASN 172 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.79 1xs1 h ASN 172 Cb 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 1xs1 h ASN 172 CO -0.18 0.16 0.00 0.54 0.07 0.00 0.00 177.43 178.02 1xs1 n ARG 173 N -3.62 3.04 -3.78 4.14 1.74 -0.30 -4.93 116.66 112.94 1xs1 n ARG 173 Ca -0.01 -2.59 -0.36 0.00 -0.77 0.00 0.00 57.85 54.11 1xs1 n ARG 173 Cb 0.29 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 1xs1 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs1 s ARG 174 N -1.30 3.93 0.42 5.56 3.52 -0.94 -4.93 118.95 125.21 1xs1 s ARG 174 Ca 0.43 -0.35 0.11 0.00 -0.13 0.00 0.00 55.73 55.80 1xs1 s ARG 174 Cb 0.25 -3.41 0.90 0.00 -1.56 0.00 0.00 34.95 31.13 1xs1 s ARG 174 CO 0.26 0.03 1.97 1.05 -0.81 0.00 0.00 175.30 177.80 1xs1 h GLU 175 N 7.57 0.18 -0.35 5.12 -0.00 -1.92 -2.38 114.58 122.80 1xs1 h GLU 175 Ca -0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 1xs1 h GLU 175 Cb 1.17 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.89 1xs1 h GLU 175 CO 0.64 0.28 0.00 -0.40 -0.00 0.00 0.00 179.01 179.53 1xs1 n ASP 176 N -4.33 4.18 -4.75 3.06 5.75 -1.26 -4.99 116.55 114.21 1xs1 n ASP 176 Ca -0.01 -2.87 -0.41 0.00 -0.01 0.00 0.00 54.79 51.49 1xs1 n ASP 176 Cb 0.22 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 1xs1 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs1 s ALA 177 N -2.58 3.51 -0.03 2.12 0.00 -0.90 -4.96 121.76 118.92 1xs1 s ALA 177 Ca 0.43 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.61 1xs1 s ALA 177 Cb 0.33 -3.47 -0.25 0.00 0.00 0.00 0.00 23.12 19.74 1xs1 s ALA 177 CO 0.12 -0.56 0.70 0.87 0.00 0.00 0.00 175.76 176.89 1xs1 h LYS 178 N 4.28 0.11 -0.06 0.00 1.57 -1.94 -3.42 116.57 117.12 1xs1 h LYS 178 Ca -0.47 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1xs1 h LYS 178 Cb 1.22 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1xs1 h LYS 178 CO 0.71 0.83 0.00 0.66 -0.57 0.00 0.00 179.45 181.08 1xs1 n TYR 179 N -3.26 0.21 -1.02 -1.35 4.02 -1.26 -5.04 117.16 109.46 1xs1 n TYR 179 Ca -0.18 -0.95 -0.33 0.00 -0.01 0.00 0.00 57.90 56.42 1xs1 n TYR 179 Cb 1.04 -0.18 0.14 0.00 -0.02 0.00 0.00 39.34 40.31 1xs1 n TYR 179 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xs1 n ARG 180 N -1.20 0.05 -3.38 -0.72 1.74 -1.26 -2.55 116.66 109.34 1xs1 n ARG 180 Ca 0.17 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 57.12 1xs1 n ARG 180 Cb 0.68 -2.41 0.06 0.00 -1.02 0.00 0.00 32.46 29.78 1xs1 n ARG 180 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xs1 n ASN 181 N -3.39 -6.15 -4.78 0.55 5.15 -1.22 -4.95 115.26 100.47 1xs1 n ASN 181 Ca 0.13 -0.45 -0.38 0.00 -0.60 0.00 0.00 54.58 53.28 1xs1 n ASN 181 Cb 0.51 -4.83 -0.06 0.00 -0.53 0.00 0.00 39.78 34.87 1xs1 n ASN 181 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1xs1 s GLN 182 N -6.08 4.59 0.00 1.20 0.74 -1.06 -4.94 119.66 114.11 1xs1 s GLN 182 Ca 0.48 1.24 0.00 0.00 0.05 0.00 0.00 55.36 57.14 1xs1 s GLN 182 Cb -0.21 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1xs1 s GLN 182 CO 0.60 0.44 0.00 1.04 -0.55 0.00 0.00 175.29 176.82 1xs1 n GLN 183 N 1.12 0.00 0.00 1.67 6.02 -1.26 -2.34 117.38 122.59 1xs1 n GLN 183 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1xs1 n GLN 183 Cb 0.49 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 31.34 1xs1 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs1 n GLY 184 N 0.39 6.17 2.74 1.08 0.00 -1.26 -4.81 105.19 109.51 1xs1 n GLY 184 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1xs1 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 n ALA 185 N -3.00 5.69 -2.03 4.61 0.00 -1.26 -4.78 120.51 119.75 1xs1 n ALA 185 Ca 0.00 -4.07 -0.42 0.00 0.00 0.00 0.00 53.44 48.95 1xs1 n ALA 185 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 19.45 16.19 1xs1 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs1 s VAL 186 N 1.57 2.96 0.72 0.00 1.01 -1.26 -4.73 120.40 120.67 1xs1 s VAL 186 Ca 0.46 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1xs1 s VAL 186 Cb 0.13 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1xs1 s VAL 186 CO -0.05 0.04 1.10 0.00 0.00 0.00 0.00 175.10 176.19 1xs1 s ALA 187 N 1.39 2.88 0.22 5.51 0.00 -1.26 -4.94 121.76 125.56 1xs1 s ALA 187 Ca 0.68 -0.47 -0.32 0.00 0.00 0.00 0.00 51.96 51.86 1xs1 s ALA 187 Cb -0.40 -2.96 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 1xs1 s ALA 187 CO 0.31 -1.24 1.28 0.45 0.00 0.00 0.00 175.76 176.55 1xs1 n SER 188 N -3.04 2.09 -1.71 0.00 2.88 -1.26 -4.89 113.62 107.69 1xs1 n SER 188 Ca 0.07 1.15 -0.17 0.00 -1.33 0.00 0.00 58.87 58.58 1xs1 n SER 188 Cb 0.58 -1.33 0.12 0.00 -0.75 0.00 0.00 64.21 62.83 1xs1 n SER 188 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xs1 n ARG 189 N 1.80 2.58 0.28 -1.46 1.74 -1.26 -4.72 116.66 115.62 1xs1 n ARG 189 Ca 0.13 -3.52 0.18 0.00 -0.77 0.00 0.00 57.85 53.87 1xs1 n ARG 189 Cb 0.29 -2.07 0.95 0.00 -1.02 0.00 0.00 32.46 30.61 1xs1 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs1 h ILE 190 N 1.37 0.25 0.00 0.55 6.09 -1.97 -0.48 117.51 123.33 1xs1 h ILE 190 Ca 0.36 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 1xs1 h ILE 190 Cb 1.48 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1xs1 h ILE 190 CO 0.77 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.95 1xs1 n ASP 191 N -3.42 0.00 0.14 2.19 5.75 -1.26 -2.87 116.55 117.08 1xs1 n ASP 191 Ca -0.01 -0.26 0.12 0.00 -0.01 0.00 0.00 54.79 54.63 1xs1 n ASP 191 Cb 0.24 -0.21 0.18 0.00 -1.03 0.00 0.00 41.12 40.30 1xs1 n ASP 191 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1xs1 h LYS 192 N 0.00 0.00 0.00 0.11 1.79 -1.47 -3.45 116.57 113.55 1xs1 h LYS 192 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xs1 h LYS 192 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1xs1 h LYS 192 CO 0.00 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.12