#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 2.63 0.07 3.17 1.81 -1.26 -3.92 118.95 121.46 1xs1 s ARG 2 Ca 0.00 -0.96 -0.31 0.00 -1.72 0.00 0.00 55.73 52.75 1xs1 s ARG 2 Cb 0.00 -2.51 -0.08 0.00 -0.45 0.00 0.00 34.95 31.91 1xs1 s ARG 2 CO 0.00 0.48 1.50 -0.51 -0.68 0.00 0.00 175.30 176.10 1xs1 s LEU 3 N -2.88 4.35 0.98 2.53 1.43 0.88 -4.98 118.68 121.00 1xs1 s LEU 3 Ca 0.29 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1xs1 s LEU 3 Cb -0.10 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.73 1xs1 s LEU 3 CO 0.20 -0.77 1.08 0.00 0.23 0.00 0.00 176.35 177.10 1xs1 h ASP 5 N -1.89 0.36 0.11 0.00 3.04 -0.43 -0.57 116.42 117.04 1xs1 h ASP 5 Ca -0.53 0.06 0.01 0.00 -3.24 0.00 0.00 57.03 53.33 1xs1 h ASP 5 Cb 1.31 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.56 1xs1 h ASP 5 CO 0.54 0.22 -0.51 -0.09 -2.04 0.00 0.00 179.24 177.36 1xs1 h ARG 6 N 0.51 -0.69 -0.17 4.15 9.65 -1.91 -1.69 114.38 124.24 1xs1 h ARG 6 Ca 0.31 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.29 1xs1 h ARG 6 Cb 0.32 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1xs1 h ARG 6 CO -0.26 -0.46 0.13 -0.44 2.80 0.00 0.00 179.97 181.74 1xs1 h ASP 7 N -0.71 0.00 -0.56 -3.80 3.32 -1.57 0.58 116.42 113.68 1xs1 h ASP 7 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1xs1 h ASP 7 Cb 0.72 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1xs1 h ASP 7 CO -0.28 0.00 0.30 0.40 -1.72 0.00 0.00 179.24 177.94 1xs1 h ILE 8 N 0.00 1.19 -0.62 0.35 2.04 -0.25 -1.51 117.51 118.71 1xs1 h ILE 8 Ca 0.08 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1xs1 h ILE 8 Cb 0.34 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1xs1 h ILE 8 CO -0.00 0.20 0.34 -0.33 0.00 0.00 0.00 178.15 178.36 1xs1 h GLU 9 N 0.75 0.61 -0.15 2.37 5.08 0.54 -0.90 114.58 122.88 1xs1 h GLU 9 Ca 0.20 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1xs1 h GLU 9 Cb 0.05 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1xs1 h GLU 9 CO -0.03 0.40 -0.12 0.00 -1.00 0.00 0.00 179.01 178.27 1xs1 h ALA 10 N 1.32 -0.00 -0.31 3.43 0.00 -0.20 0.27 119.26 123.77 1xs1 h ALA 10 Ca 0.27 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1xs1 h ALA 10 Cb 0.17 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xs1 h ALA 10 CO -0.17 -0.56 -0.31 -1.49 0.00 0.00 0.00 179.25 176.71 1xs1 h TRP 11 N -0.13 0.78 -0.58 0.00 4.06 -0.76 1.36 115.95 120.67 1xs1 h TRP 11 Ca 0.09 -0.20 -0.04 0.00 2.06 0.00 0.00 58.89 60.80 1xs1 h TRP 11 Cb 0.26 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 1xs1 h TRP 11 CO -0.25 0.90 0.21 -0.07 -3.56 0.00 0.00 178.44 175.67 1xs1 h LEU 12 N 0.57 0.83 -0.38 -4.49 3.38 -0.99 0.55 115.31 114.78 1xs1 h LEU 12 Ca 0.07 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1xs1 h LEU 12 Cb 0.82 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1xs1 h LEU 12 CO 0.07 0.80 0.03 0.44 0.09 0.00 0.00 178.44 179.87 1xs1 h ASP 13 N 0.81 0.63 0.06 -0.43 3.32 0.39 -2.93 116.42 118.28 1xs1 h ASP 13 Ca 0.19 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1xs1 h ASP 13 Cb 0.25 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xs1 h ASP 13 CO -0.01 0.75 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.15 1xs1 h GLU 14 N 0.48 -0.08 0.00 3.56 4.57 0.19 -3.48 114.58 119.82 1xs1 h GLU 14 Ca 0.11 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1xs1 h GLU 14 Cb 0.41 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1xs1 h GLU 14 CO 0.01 0.06 0.00 0.41 -1.18 0.00 0.00 179.01 178.32 1xs1 n GLY 15 N -0.78 0.96 0.13 1.92 0.00 0.19 -5.00 105.19 102.61 1xs1 n GLY 15 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 0.70 0.38 -6.85 1.61 3.08 -1.87 -3.41 114.38 108.01 1xs1 h ARG 16 Ca 0.00 -0.64 -0.48 0.00 0.07 0.00 0.00 59.98 58.92 1xs1 h ARG 16 Cb 0.00 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xs1 h ARG 16 CO 0.00 1.29 0.38 -1.17 -1.07 0.00 0.00 179.97 179.40 1xs1 s LEU 17 N -7.29 4.41 -0.11 3.04 2.96 -1.25 -3.71 118.68 116.72 1xs1 s LEU 17 Ca -0.08 1.97 -0.16 0.00 -0.22 0.00 0.00 54.13 55.64 1xs1 s LEU 17 Cb 0.06 -3.88 0.04 0.00 0.50 0.00 0.00 46.19 42.90 1xs1 s LEU 17 CO 0.90 -0.10 0.42 -0.55 -1.32 0.00 0.00 176.35 175.70 1xs1 s SER 18 N -1.38 -0.40 -0.08 3.68 0.15 -0.89 -4.29 113.70 110.49 1xs1 s SER 18 Ca 0.48 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.75 1xs1 s SER 18 Cb -0.23 0.70 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1xs1 s SER 18 CO 0.29 -0.27 0.15 -0.63 1.20 0.00 0.00 173.24 173.98 1xs1 s ILE 19 N -0.32 -0.22 -0.19 6.45 1.01 -1.26 -1.60 121.20 125.07 1xs1 s ILE 19 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1xs1 s ILE 19 Cb -0.03 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.20 1xs1 s ILE 19 CO 0.02 0.14 -0.09 0.20 0.00 0.00 0.00 174.94 175.21 1xs1 s ASN 20 N 2.12 3.24 0.24 3.58 0.01 -0.09 -0.17 114.94 123.87 1xs1 s ASN 20 Ca 0.01 -0.83 -0.30 0.00 -0.71 0.00 0.00 52.86 51.04 1xs1 s ASN 20 Cb -0.12 -1.15 -0.09 0.00 0.41 0.00 0.00 41.25 40.30 1xs1 s ASN 20 CO -0.06 -0.15 1.16 -2.84 -1.51 0.00 0.00 177.10 173.70 1xs1 s PRO 21 N 1.46 4.55 -0.03 -0.60 0.02 -1.26 -0.82 135.00 138.31 1xs1 s PRO 21 Ca -0.01 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 1xs1 s PRO 21 Cb -0.16 -3.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.06 1xs1 s PRO 21 CO -0.08 0.04 1.98 -2.13 -0.33 0.00 0.00 177.00 176.47 1xs1 n ARG 22 N 1.76 2.57 -1.90 5.54 0.63 0.76 -4.92 116.66 121.11 1xs1 n ARG 22 Ca 0.01 0.93 -0.39 0.00 -0.92 0.00 0.00 57.85 57.48 1xs1 n ARG 22 Cb 0.44 -2.92 0.01 0.00 0.45 0.00 0.00 32.46 30.45 1xs1 n ARG 22 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1xs1 s PRO 23 N 4.55 3.71 1.24 -0.14 0.02 -1.26 -4.98 135.00 138.14 1xs1 s PRO 23 Ca 0.91 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 64.06 1xs1 s PRO 23 Cb -0.51 -2.63 0.31 0.00 0.02 0.00 0.00 34.50 31.69 1xs1 s PRO 23 CO 0.45 -0.75 1.00 -1.25 -0.33 0.00 0.00 177.00 176.12 1xs1 s PRO 24 N -2.45 -1.53 0.25 5.54 0.04 -1.26 -4.86 135.00 130.73 1xs1 s PRO 24 Ca 0.61 0.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 1xs1 s PRO 24 Cb -0.41 -1.50 0.31 0.00 0.04 0.00 0.00 34.50 32.95 1xs1 s PRO 24 CO 0.52 -4.07 1.91 0.28 0.04 0.00 0.00 177.00 175.67 1xs1 h VAL 25 N -2.86 1.19 -0.86 -0.36 2.07 -1.93 -2.67 116.25 110.81 1xs1 h VAL 25 Ca -0.58 -0.44 0.19 0.00 0.82 0.00 0.00 66.70 66.70 1xs1 h VAL 25 Cb 1.34 -0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1xs1 h VAL 25 CO 0.45 0.23 0.58 -0.33 0.02 0.00 0.00 177.57 178.52 1xs1 h GLU 26 N 1.28 0.37 -0.58 1.57 3.07 -2.03 -1.50 114.58 116.75 1xs1 h GLU 26 Ca 0.39 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1xs1 h GLU 26 Cb -0.03 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1xs1 h GLU 26 CO -0.12 0.24 0.00 0.54 -1.40 0.00 0.00 179.01 178.28 1xs1 n ARG 27 N -4.49 4.58 -3.95 2.33 5.12 -1.01 -4.75 116.66 114.50 1xs1 n ARG 27 Ca 0.18 -3.10 -0.30 0.00 -1.93 0.00 0.00 57.85 52.70 1xs1 n ARG 27 Cb 0.67 -2.17 -0.15 0.00 -1.16 0.00 0.00 32.46 29.65 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 -2.58 1.60 0.02 0.55 1.01 -0.57 -0.17 121.20 121.06 1xs1 s ILE 28 Ca 0.53 -1.33 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 1xs1 s ILE 28 Cb 0.40 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 41.03 1xs1 s ILE 28 CO 0.17 -0.15 0.53 0.54 0.00 0.00 0.00 174.94 176.03 1xs1 s ASN 29 N 1.35 -0.46 1.57 3.58 2.20 -0.60 -4.93 114.94 117.65 1xs1 s ASN 29 Ca -0.04 0.28 0.00 0.00 -0.94 0.00 0.00 52.86 52.16 1xs1 s ASN 29 Cb -0.19 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.54 1xs1 s ASN 29 CO -0.07 -0.66 0.00 0.61 -2.94 0.00 0.00 177.10 174.04 1xs1 n GLY 30 N 0.62 1.22 0.56 0.45 0.00 -1.26 -1.71 105.19 105.06 1xs1 n GLY 30 Ca -0.19 0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 8.89 2.57 -2.59 4.61 0.00 -1.26 0.32 120.51 133.05 1xs1 n ALA 31 Ca 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 53.44 50.98 1xs1 n ALA 31 Cb 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.79 0.14 -0.08 0.00 -4.23 -0.70 -4.37 115.64 104.61 1xs1 s THR 32 Ca 0.26 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1xs1 s THR 32 Cb 0.26 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.80 1xs1 s THR 32 CO -0.04 -0.63 -0.12 0.68 -0.54 0.00 0.00 174.62 173.97 1xs1 s VAL 33 N -3.64 3.24 0.32 2.29 -7.23 0.73 -1.55 120.40 114.57 1xs1 s VAL 33 Ca 0.03 -0.63 -0.24 0.00 -1.81 0.00 0.00 61.98 59.33 1xs1 s VAL 33 Cb 0.04 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 1xs1 s VAL 33 CO -0.10 0.57 0.89 -1.81 -0.31 0.00 0.00 175.10 174.34 1xs1 s ASP 34 N -0.35 7.20 0.22 4.85 1.01 0.76 0.24 116.67 130.60 1xs1 s ASP 34 Ca 0.04 1.71 0.11 0.00 0.71 0.00 0.00 52.55 55.12 1xs1 s ASP 34 Cb -0.13 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1xs1 s ASP 34 CO 0.02 -0.10 -0.21 0.68 0.21 0.00 0.00 175.17 175.77 1xs1 s VAL 35 N -1.71 2.30 0.31 -1.27 -7.23 -0.76 -4.88 120.40 107.16 1xs1 s VAL 35 Ca 0.51 -2.15 0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1xs1 s VAL 35 Cb -0.16 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 1xs1 s VAL 35 CO 0.21 -0.26 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.47 1xs1 s ARG 36 N -3.02 1.74 0.07 4.82 0.52 -1.26 -1.73 118.95 120.09 1xs1 s ARG 36 Ca 0.23 -1.85 -0.30 0.00 -0.52 0.00 0.00 55.73 53.29 1xs1 s ARG 36 Cb -0.06 -1.69 -0.05 0.00 0.52 0.00 0.00 34.95 33.67 1xs1 s ARG 36 CO 0.11 0.21 1.05 -1.17 0.02 0.00 0.00 175.30 175.52 1xs1 s LEU 37 N -3.55 4.42 0.00 2.53 2.96 0.15 0.10 118.68 125.29 1xs1 s LEU 37 Ca 0.31 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1xs1 s LEU 37 Cb -0.01 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1xs1 s LEU 37 CO 0.15 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1xs1 n GLY 38 N 2.65 -1.08 0.29 7.98 0.00 -0.34 0.16 105.19 114.86 1xs1 n GLY 38 Ca 0.05 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.48 1xs1 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs1 n ASN 39 N -2.75 2.05 -4.14 1.61 6.94 -1.26 -4.21 115.26 113.50 1xs1 n ASN 39 Ca 0.00 -3.36 -0.29 0.00 -0.02 0.00 0.00 54.58 50.91 1xs1 n ASN 39 Cb 0.00 -0.46 -0.17 0.00 -2.36 0.00 0.00 39.78 36.79 1xs1 n ASN 39 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xs1 s LYS 40 N -2.92 2.56 0.08 -3.83 1.02 -1.26 -0.82 119.74 114.58 1xs1 s LYS 40 Ca 0.34 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1xs1 s LYS 40 Cb 0.31 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 1xs1 s LYS 40 CO -0.01 0.11 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.40 1xs1 s PHE 41 N 0.51 0.81 0.02 3.18 0.40 -0.29 -3.86 117.98 118.74 1xs1 s PHE 41 Ca -0.16 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 1xs1 s PHE 41 Cb -0.17 -0.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.87 1xs1 s PHE 41 CO 0.06 -0.16 -0.06 1.03 0.70 0.00 0.00 175.22 176.80 1xs1 s ARG 42 N -3.38 0.43 0.45 0.44 0.52 -0.59 0.84 118.95 117.66 1xs1 s ARG 42 Ca 0.07 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 1xs1 s ARG 42 Cb 0.02 -0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.24 1xs1 s ARG 42 CO -0.04 0.05 0.06 0.25 0.02 0.00 0.00 175.30 175.64 1xs1 n THR 43 N 2.06 0.00 -5.11 0.02 -2.24 -1.26 -1.18 114.28 106.56 1xs1 n THR 43 Ca -0.19 -2.04 -0.32 0.00 -2.27 0.00 0.00 64.05 59.22 1xs1 n THR 43 Cb 0.56 0.34 -0.16 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.55 2.62 -0.92 4.78 0.40 -1.26 -1.53 117.98 119.52 1xs1 s PHE 44 Ca 0.04 -0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 55.37 1xs1 s PHE 44 Cb -0.00 -1.74 0.23 0.00 0.51 0.00 0.00 43.02 42.02 1xs1 s PHE 44 CO 0.03 -0.36 0.85 1.03 0.70 0.00 0.00 175.22 177.47 1xs1 s ARG 45 N 0.31 3.57 0.54 0.44 0.52 0.36 -4.93 118.95 119.77 1xs1 s ARG 45 Ca -0.16 -2.99 0.27 0.00 -0.52 0.00 0.00 55.73 52.33 1xs1 s ARG 45 Cb -0.17 -4.23 1.56 0.00 0.52 0.00 0.00 34.95 32.62 1xs1 s ARG 45 CO 0.08 -1.25 2.13 0.78 0.02 0.00 0.00 175.30 177.06 1xs1 h GLY 46 N 6.73 0.00 1.87 -3.53 0.00 -1.93 -2.98 103.07 103.23 1xs1 h GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1xs1 h GLY 46 CO 0.87 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 175.02 1xs1 n HIS 47 N -3.75 0.00 1.01 5.60 1.44 -1.26 -2.59 115.22 115.66 1xs1 n HIS 47 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1xs1 n HIS 47 Cb 0.18 -0.43 0.44 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.43 0.00 -3.76 0.61 -2.24 -1.13 -4.91 114.28 101.41 1xs1 n THR 48 Ca 0.07 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1xs1 n THR 48 Cb 0.23 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.99 -0.69 0.04 6.98 0.00 -1.07 -4.97 121.76 119.06 1xs1 s ALA 49 Ca 0.13 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 1xs1 s ALA 49 Cb 0.18 0.25 -0.30 0.00 0.00 0.00 0.00 23.12 23.25 1xs1 s ALA 49 CO 0.61 -0.36 1.02 0.00 0.00 0.00 0.00 175.76 177.03 1xs1 h ALA 50 N 3.42 0.08 -2.41 0.00 0.00 -1.91 -3.48 119.26 114.96 1xs1 h ALA 50 Ca -0.31 -0.94 0.18 0.00 0.00 0.00 0.00 54.91 53.83 1xs1 h ALA 50 Cb 1.19 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1xs1 h ALA 50 CO 0.44 0.95 0.56 -0.59 0.00 0.00 0.00 179.25 180.62 1xs1 s PHE 51 N -2.63 -0.00 -0.13 0.00 -0.12 -1.26 -5.15 117.98 108.69 1xs1 s PHE 51 Ca -0.07 -0.35 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 1xs1 s PHE 51 Cb 0.06 0.67 0.01 0.00 -0.63 0.00 0.00 43.02 43.13 1xs1 s PHE 51 CO 0.89 -0.86 -0.21 0.42 -0.05 0.00 0.00 175.22 175.41 1xs1 s ILE 52 N -2.56 2.19 -0.67 -4.49 1.01 -1.26 -5.03 121.20 110.39 1xs1 s ILE 52 Ca 0.18 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1xs1 s ILE 52 Cb -0.02 -1.88 0.12 0.00 0.01 0.00 0.00 42.46 40.70 1xs1 s ILE 52 CO 0.04 0.55 0.78 -0.62 0.00 0.00 0.00 174.94 175.69 1xs1 s ASP 53 N 0.70 6.32 0.58 3.58 -1.08 -1.26 -4.91 116.67 120.60 1xs1 s ASP 53 Ca -0.09 -1.68 0.31 0.00 -0.52 0.00 0.00 52.55 50.57 1xs1 s ASP 53 Cb -0.16 -2.31 1.41 0.00 -1.46 0.00 0.00 42.92 40.41 1xs1 s ASP 53 CO 0.01 -1.05 1.78 -0.07 0.52 0.00 0.00 175.17 176.36 1xs1 h LEU 54 N 9.79 0.00 -5.73 -1.34 3.38 -1.98 -2.46 115.31 116.97 1xs1 h LEU 54 Ca -0.18 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.35 1xs1 h LEU 54 Cb 1.07 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.44 1xs1 h LEU 54 CO 1.06 0.00 -1.16 -1.54 0.09 0.00 0.00 178.44 176.89 1xs1 n SER 55 N -3.80 0.78 -3.29 -0.43 3.41 -1.26 -4.84 113.62 104.19 1xs1 n SER 55 Ca 0.16 -2.97 -0.10 0.00 -0.26 0.00 0.00 58.87 55.70 1xs1 n SER 55 Cb 0.99 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1xs1 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 56 N 0.20 2.43 3.68 5.00 0.00 -0.93 -5.04 105.19 110.53 1xs1 n GLY 56 Ca 0.20 -2.20 -0.52 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.32 1.62 -0.32 1.61 -0.02 -1.26 -4.82 135.00 130.48 1xs1 n PRO 57 Ca 0.03 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 1xs1 n PRO 57 Cb 0.27 -2.33 0.30 0.00 -0.02 0.00 0.00 33.50 31.72 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 7.27 0.06 -0.05 -0.52 3.64 -1.96 -2.16 116.57 122.84 1xs1 h LYS 58 Ca -0.47 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1xs1 h LYS 58 Cb 1.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1xs1 h LYS 58 CO 0.92 0.04 -0.20 0.38 -2.27 0.00 0.00 179.45 178.32 1xs1 h ASP 59 N 0.06 -0.64 -0.93 4.20 2.03 -1.95 -2.02 116.42 117.17 1xs1 h ASP 59 Ca 0.59 0.08 0.14 0.00 -0.73 0.00 0.00 57.03 57.11 1xs1 h ASP 59 Cb 1.24 0.25 -0.15 0.00 -0.83 0.00 0.00 39.33 39.85 1xs1 h ASP 59 CO -0.83 -0.18 -0.41 -0.08 -1.03 0.00 0.00 179.24 176.72 1xs1 h GLU 60 N -0.21 -0.03 -0.03 4.15 4.57 -1.77 -2.67 114.58 118.58 1xs1 h GLU 60 Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xs1 h GLU 60 Cb 0.25 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1xs1 h GLU 60 CO -0.16 -0.02 0.01 0.28 -1.18 0.00 0.00 179.01 177.94 1xs1 h VAL 61 N -0.03 1.07 -0.30 0.32 2.07 -1.33 -1.93 116.25 116.12 1xs1 h VAL 61 Ca 0.30 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1xs1 h VAL 61 Cb 0.57 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1xs1 h VAL 61 CO -0.93 0.06 0.14 0.28 0.02 0.00 0.00 177.57 177.14 1xs1 h SER 62 N -0.04 0.39 -0.30 0.57 0.02 -1.07 0.44 113.55 113.56 1xs1 h SER 62 Ca 0.01 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1xs1 h SER 62 Cb 0.08 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1xs1 h SER 62 CO -0.00 0.41 0.04 0.00 -1.14 0.00 0.00 176.83 176.14 1xs1 h ALA 63 N 1.00 0.30 -0.43 3.77 0.00 -1.45 1.11 119.26 123.55 1xs1 h ALA 63 Ca 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xs1 h ALA 63 Cb 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xs1 h ALA 63 CO -0.01 -0.37 0.25 0.00 0.00 0.00 0.00 179.25 179.12 1xs1 h ALA 64 N 1.23 0.55 -0.77 0.00 0.00 -0.95 0.46 119.26 119.79 1xs1 h ALA 64 Ca 0.14 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1xs1 h ALA 64 Cb 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1xs1 h ALA 64 CO -0.20 0.05 0.40 -0.07 0.00 0.00 0.00 179.25 179.42 1xs1 h LEU 65 N 0.57 0.51 -0.80 0.00 3.38 0.56 -0.69 115.31 118.84 1xs1 h LEU 65 Ca 0.15 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 1xs1 h LEU 65 Cb 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xs1 h LEU 65 CO -0.03 0.27 -0.29 0.44 0.09 0.00 0.00 178.44 178.92 1xs1 h ASP 66 N 0.64 0.59 0.09 -0.43 3.32 0.32 -2.67 116.42 118.28 1xs1 h ASP 66 Ca 0.39 -0.22 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 1xs1 h ASP 66 Cb 0.45 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1xs1 h ASP 66 CO -0.29 0.85 -0.68 0.03 -1.72 0.00 0.00 179.24 177.43 1xs1 h ARG 67 N 0.49 0.54 0.00 3.56 3.08 0.46 -3.27 114.38 119.24 1xs1 h ARG 67 Ca 0.06 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.64 1xs1 h ARG 67 Cb 0.76 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1xs1 h ARG 67 CO 0.06 1.03 -0.54 -0.39 -1.07 0.00 0.00 179.97 179.05 1xs1 h VAL 68 N 0.39 0.42 -3.36 2.04 -1.51 -1.09 -3.44 116.25 109.70 1xs1 h VAL 68 Ca -0.02 -1.63 -0.56 0.00 -1.23 0.00 0.00 66.70 63.26 1xs1 h VAL 68 Cb 1.25 2.11 -0.05 0.00 -2.13 0.00 0.00 31.29 32.47 1xs1 h VAL 68 CO 0.13 0.24 0.07 -0.04 -1.23 0.00 0.00 177.57 176.73 1xs1 s MET 69 N -3.09 4.41 0.97 5.19 -1.94 -1.01 0.14 119.30 123.96 1xs1 s MET 69 Ca 0.03 0.88 -0.12 0.00 -1.71 0.00 0.00 55.69 54.78 1xs1 s MET 69 Cb 0.07 -3.37 0.17 0.00 2.01 0.00 0.00 34.83 33.72 1xs1 s MET 69 CO 0.74 0.29 1.08 -1.54 -0.01 0.00 0.00 175.02 175.58 1xs1 s SER 70 N 0.02 2.73 0.51 3.03 1.04 -0.58 -4.88 113.70 115.56 1xs1 s SER 70 Ca 0.35 1.56 -0.23 0.00 0.48 0.00 0.00 55.95 58.11 1xs1 s SER 70 Cb -0.19 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.64 1xs1 s SER 70 CO 0.19 -3.12 1.39 0.47 0.98 0.00 0.00 173.24 173.16 1xs1 n ASP 71 N -4.20 2.96 -4.63 7.02 8.00 -1.26 -4.79 116.55 119.64 1xs1 n ASP 71 Ca 0.07 1.03 -0.46 0.00 0.71 0.00 0.00 54.79 56.14 1xs1 n ASP 71 Cb 0.55 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 1xs1 n ASP 71 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1xs1 n GLU 72 N -0.69 1.68 -3.28 -1.24 2.13 -1.26 -4.78 120.64 113.19 1xs1 n GLU 72 Ca 0.08 0.60 -0.42 0.00 0.66 0.00 0.00 57.16 58.08 1xs1 n GLU 72 Cb 0.43 -2.15 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 1xs1 n GLU 72 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xs1 s ILE 73 N -0.36 5.04 -0.33 6.31 1.01 0.25 -4.93 121.20 128.19 1xs1 s ILE 73 Ca 0.67 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.12 1xs1 s ILE 73 Cb -0.71 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 37.73 1xs1 s ILE 73 CO 0.53 -0.37 0.19 -0.69 0.00 0.00 0.00 174.94 174.61 1xs1 s VAL 74 N 2.28 4.87 -0.05 2.92 1.01 -1.26 -1.14 120.40 129.02 1xs1 s VAL 74 Ca 0.15 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1xs1 s VAL 74 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1xs1 s VAL 74 CO 0.14 0.01 0.83 -0.76 0.00 0.00 0.00 175.10 175.32 1xs1 s LEU 75 N 1.65 4.32 0.43 3.92 1.43 -0.00 -5.03 118.68 125.40 1xs1 s LEU 75 Ca 0.05 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1xs1 s LEU 75 Cb -0.17 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1xs1 s LEU 75 CO 0.08 -0.21 0.64 1.51 0.23 0.00 0.00 176.35 178.60 1xs1 s ASP 76 N 0.93 5.90 -0.14 2.29 1.47 -1.26 -4.86 116.67 120.99 1xs1 s ASP 76 Ca 0.43 0.27 -0.16 0.00 1.18 0.00 0.00 52.55 54.27 1xs1 s ASP 76 Cb -0.19 -1.57 -0.07 0.00 -0.34 0.00 0.00 42.92 40.75 1xs1 s ASP 76 CO 0.21 -0.63 0.52 1.21 0.68 0.00 0.00 175.17 177.16 1xs1 n GLU 77 N -2.01 0.00 -3.19 2.11 0.00 -1.26 -2.50 120.64 113.78 1xs1 n GLU 77 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 1xs1 n GLU 77 Cb 0.57 -0.53 0.07 0.00 0.00 0.00 0.00 31.44 31.56 1xs1 n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xs1 n GLY 78 N 1.22 -0.42 3.28 8.31 0.00 -1.26 -5.05 105.19 111.27 1xs1 n GLY 78 Ca 0.10 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 1xs1 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xs1 s GLU 79 N -4.94 1.14 0.08 1.61 2.12 -1.04 -5.15 118.70 112.52 1xs1 s GLU 79 Ca 0.10 -1.43 0.09 0.00 0.36 0.00 0.00 54.97 54.10 1xs1 s GLU 79 Cb -0.01 -0.88 -0.03 0.00 0.26 0.00 0.00 34.13 33.46 1xs1 s GLU 79 CO 0.64 0.14 -0.24 0.00 -0.54 0.00 0.00 175.26 175.26 1xs1 s ALA 80 N -2.82 2.08 -0.27 6.30 0.00 -1.26 -4.39 121.76 121.41 1xs1 s ALA 80 Ca 0.16 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1xs1 s ALA 80 Cb -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1xs1 s ALA 80 CO 0.03 0.47 0.17 0.12 0.00 0.00 0.00 175.76 176.56 1xs1 s PHE 81 N -0.94 3.24 -0.43 0.00 5.36 -0.20 -4.90 117.98 120.11 1xs1 s PHE 81 Ca 0.10 0.13 -0.19 0.00 -0.96 0.00 0.00 56.93 56.02 1xs1 s PHE 81 Cb -0.10 -2.34 0.03 0.00 -0.34 0.00 0.00 43.02 40.27 1xs1 s PHE 81 CO 0.03 -0.09 0.53 0.71 -1.46 0.00 0.00 175.22 174.94 1xs1 s TYR 82 N 1.52 3.12 -0.54 10.12 1.51 -1.26 -0.40 117.35 131.41 1xs1 s TYR 82 Ca 0.07 -0.27 -0.23 0.00 -1.01 0.00 0.00 57.07 55.63 1xs1 s TYR 82 Cb -0.15 -3.11 0.04 0.00 -0.11 0.00 0.00 41.96 38.63 1xs1 s TYR 82 CO 0.09 -0.79 0.89 -1.17 -1.11 0.00 0.00 175.55 173.46 1xs1 s LEU 83 N 2.43 4.24 0.38 -1.29 2.96 -0.80 -4.93 118.68 121.67 1xs1 s LEU 83 Ca 0.16 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1xs1 s LEU 83 Cb -0.16 -2.77 -0.06 0.00 0.50 0.00 0.00 46.19 43.69 1xs1 s LEU 83 CO 0.16 -1.17 0.73 -1.00 -1.32 0.00 0.00 176.35 173.75 1xs1 s HIS 84 N 3.73 3.47 -0.00 5.38 3.76 -1.26 -0.95 115.29 129.42 1xs1 s HIS 84 Ca 0.28 0.98 -0.36 0.00 -0.15 0.00 0.00 55.06 55.81 1xs1 s HIS 84 Cb -0.14 -2.39 -0.15 0.00 1.11 0.00 0.00 32.58 31.02 1xs1 s HIS 84 CO 0.18 -0.06 1.57 -2.30 -0.85 0.00 0.00 174.74 173.28 1xs1 n PRO 85 N -1.23 1.56 -0.85 8.40 -0.02 -1.26 -2.54 135.00 139.06 1xs1 n PRO 85 Ca 0.02 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1xs1 n PRO 85 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.39 0.52 2.94 -1.23 0.00 -0.59 -4.99 105.19 105.23 1xs1 n GLY 86 Ca 0.20 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.97 2.53 0.18 1.61 0.41 -1.05 -4.99 118.70 116.42 1xs1 s GLU 87 Ca 0.00 -3.24 -0.33 0.00 -0.41 0.00 0.00 54.97 51.00 1xs1 s GLU 87 Cb 0.00 -3.50 -0.15 0.00 -1.78 0.00 0.00 34.13 28.70 1xs1 s GLU 87 CO 0.00 -1.26 1.20 -0.11 -0.49 0.00 0.00 175.26 174.60 1xs1 n LEU 88 N 2.19 1.77 -4.08 1.80 7.94 -1.26 -4.73 117.00 120.63 1xs1 n LEU 88 Ca 0.18 1.14 -0.10 0.00 -1.11 0.00 0.00 56.01 56.12 1xs1 n LEU 88 Cb 0.35 -1.25 -0.11 0.00 0.53 0.00 0.00 43.42 42.95 1xs1 n LEU 88 CO 0.29 -1.17 -0.38 0.00 -1.11 0.00 0.00 177.39 175.02 1xs1 s ALA 89 N -0.16 0.57 -0.02 1.96 0.00 -0.56 -4.62 121.76 118.93 1xs1 s ALA 89 Ca 0.73 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1xs1 s ALA 89 Cb -0.82 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1xs1 s ALA 89 CO 0.52 -0.20 0.22 -0.51 0.00 0.00 0.00 175.76 175.78 1xs1 s LEU 90 N -2.31 4.37 0.00 0.00 1.43 -0.33 -0.23 118.68 121.61 1xs1 s LEU 90 Ca -0.01 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1xs1 s LEU 90 Cb -0.01 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1xs1 s LEU 90 CO -0.04 0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.82 1xs1 n ALA 91 N 1.17 0.00 -2.91 4.21 0.00 -0.37 -1.53 120.51 121.08 1xs1 n ALA 91 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1xs1 n ALA 91 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.16 0.08 0.66 0.00 0.11 -1.25 -0.61 120.40 117.22 1xs1 s VAL 92 Ca 0.00 -0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 58.06 1xs1 s VAL 92 Cb 0.00 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 1xs1 s VAL 92 CO 0.00 -0.35 1.05 0.42 -3.33 0.00 0.00 175.10 172.89 1xs1 s THR 93 N -3.86 4.35 0.07 5.04 -4.23 -0.22 -1.20 115.64 115.59 1xs1 s THR 93 Ca 0.07 0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 61.16 1xs1 s THR 93 Cb 0.02 -3.65 -0.12 0.00 1.34 0.00 0.00 72.50 70.10 1xs1 s THR 93 CO -0.08 -1.00 1.38 0.25 -0.54 0.00 0.00 174.62 174.63 1xs1 h LEU 94 N -0.51 0.56 -9.84 4.79 5.85 0.51 -3.36 115.31 113.30 1xs1 h LEU 94 Ca -0.44 -0.48 -0.51 0.00 0.84 0.00 0.00 57.88 57.29 1xs1 h LEU 94 Cb 1.20 -0.16 0.03 0.00 0.37 0.00 0.00 40.66 42.10 1xs1 h LEU 94 CO 0.60 0.92 0.50 -1.61 -0.34 0.00 0.00 178.44 178.51 1xs1 s GLU 95 N -4.32 4.50 -0.06 1.25 8.01 -1.26 -4.81 118.70 122.01 1xs1 s GLU 95 Ca -0.13 1.85 -0.09 0.00 0.01 0.00 0.00 54.97 56.60 1xs1 s GLU 95 Cb 0.07 -3.07 -0.05 0.00 -4.31 0.00 0.00 34.13 26.77 1xs1 s GLU 95 CO 0.79 0.07 0.25 0.45 0.01 0.00 0.00 175.26 176.83 1xs1 s SER 96 N -0.90 6.54 -0.04 -0.19 0.15 -0.00 -4.26 113.70 115.01 1xs1 s SER 96 Ca 0.47 0.64 0.04 0.00 0.70 0.00 0.00 55.95 57.81 1xs1 s SER 96 Cb -0.32 -2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1xs1 s SER 96 CO 0.42 0.36 -0.15 -0.69 1.20 0.00 0.00 173.24 174.38 1xs1 s VAL 97 N -1.09 1.22 -0.15 4.45 1.01 -0.86 -0.91 120.40 124.06 1xs1 s VAL 97 Ca 0.20 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1xs1 s VAL 97 Cb -0.14 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1xs1 s VAL 97 CO 0.09 0.36 -0.17 -0.89 0.00 0.00 0.00 175.10 174.49 1xs1 s THR 98 N 0.06 1.76 -0.15 3.92 2.01 -0.63 -1.73 115.64 120.88 1xs1 s THR 98 Ca -0.03 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 1xs1 s THR 98 Cb -0.10 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1xs1 s THR 98 CO 0.01 0.49 0.09 -0.76 -0.69 0.00 0.00 174.62 173.77 1xs1 s LEU 99 N 1.28 4.06 1.16 4.42 1.43 0.17 -2.10 118.68 129.11 1xs1 s LEU 99 Ca 0.02 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1xs1 s LEU 99 Cb -0.13 -2.01 0.27 0.00 0.03 0.00 0.00 46.19 44.34 1xs1 s LEU 99 CO -0.09 0.29 1.11 -2.16 0.23 0.00 0.00 176.35 175.73 1xs1 s PRO 100 N -0.29 -0.85 0.36 1.29 0.04 -1.24 -1.01 135.00 133.29 1xs1 s PRO 100 Ca 0.10 0.04 0.27 0.00 0.04 0.00 0.00 61.00 61.44 1xs1 s PRO 100 Cb -0.12 -1.63 1.18 0.00 0.04 0.00 0.00 34.50 33.97 1xs1 s PRO 100 CO 0.01 -3.49 1.80 0.00 0.04 0.00 0.00 177.00 175.37 1xs1 h ALA 101 N -2.42 1.00 -0.37 8.56 0.00 -1.94 -2.96 119.26 121.14 1xs1 h ALA 101 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1xs1 h ALA 101 Cb 1.30 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1xs1 h ALA 101 CO 0.39 0.00 0.02 -0.40 0.00 0.00 0.00 179.25 179.26 1xs1 n ASP 102 N -2.48 3.24 -3.94 0.00 5.75 -1.26 -1.86 116.55 116.01 1xs1 n ASP 102 Ca 0.01 -3.42 -0.13 0.00 -0.01 0.00 0.00 54.79 51.24 1xs1 n ASP 102 Cb 0.21 -0.61 -0.13 0.00 -1.03 0.00 0.00 41.12 39.55 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 -3.06 2.06 0.01 -2.12 2.96 -1.18 -0.13 118.68 117.22 1xs1 s LEU 103 Ca 0.45 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.28 1xs1 s LEU 103 Cb 0.38 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.95 1xs1 s LEU 103 CO 0.05 -0.04 -0.26 0.54 -1.32 0.00 0.00 176.35 175.32 1xs1 s VAL 104 N -0.39 2.08 0.12 1.68 0.11 0.24 -3.19 120.40 121.05 1xs1 s VAL 104 Ca -0.03 -1.24 0.08 0.00 -2.93 0.00 0.00 61.98 57.86 1xs1 s VAL 104 Cb -0.03 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1xs1 s VAL 104 CO -0.00 0.47 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.30 1xs1 s GLY 105 N -0.92 1.77 -0.05 6.54 0.00 0.12 -1.34 107.32 113.44 1xs1 s GLY 105 Ca 0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 1xs1 s GLY 105 CO 0.00 -1.29 0.10 -0.98 0.00 0.00 0.00 173.10 170.94 1xs1 s TRP 106 N -1.30 -0.07 -0.11 1.90 0.52 -0.79 0.45 118.94 119.54 1xs1 s TRP 106 Ca 0.22 0.39 -0.12 0.00 0.02 0.00 0.00 56.10 56.60 1xs1 s TRP 106 Cb -0.11 -0.27 -0.05 0.00 -1.15 0.00 0.00 33.47 31.90 1xs1 s TRP 106 CO 0.14 -0.19 0.27 -1.17 0.02 0.00 0.00 176.95 176.02 1xs1 s LEU 107 N 1.72 4.34 0.23 2.99 2.96 -0.04 -2.39 118.68 128.49 1xs1 s LEU 107 Ca -0.02 0.60 0.12 0.00 -0.22 0.00 0.00 54.13 54.60 1xs1 s LEU 107 Cb -0.12 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 1xs1 s LEU 107 CO -0.05 0.25 -0.22 -1.81 -1.32 0.00 0.00 176.35 173.20 1xs1 s ASP 108 N -0.35 3.46 0.00 3.68 1.01 -0.67 -4.82 116.67 118.98 1xs1 s ASP 108 Ca 0.17 -0.94 0.00 0.00 0.71 0.00 0.00 52.55 52.49 1xs1 s ASP 108 Cb -0.14 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.53 1xs1 s ASP 108 CO 0.06 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1xs1 n GLY 109 N -0.12 0.60 2.90 0.21 0.00 -1.26 -2.22 105.19 105.30 1xs1 n GLY 109 Ca -0.09 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 0.24 0.29 1.61 0.52 -1.26 -3.99 118.95 116.35 1xs1 s ARG 110 Ca 0.00 -0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1xs1 s ARG 110 Cb 0.00 -0.27 0.64 0.00 0.52 0.00 0.00 34.95 35.84 1xs1 s ARG 110 CO 0.00 0.02 1.78 1.03 0.02 0.00 0.00 175.30 178.15 1xs1 h SER 111 N 6.32 0.74 -0.21 0.23 0.87 -1.98 0.33 113.55 119.84 1xs1 h SER 111 Ca -0.30 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.41 1xs1 h SER 111 Cb 1.19 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1xs1 h SER 111 CO 0.50 0.30 0.17 0.28 -0.53 0.00 0.00 176.83 177.55 1xs1 h SER 112 N 0.77 0.00 0.07 6.23 0.02 -1.99 -1.96 113.55 116.68 1xs1 h SER 112 Ca 0.53 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.25 1xs1 h SER 112 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1xs1 h SER 112 CO -0.35 0.00 -1.22 -0.07 -1.14 0.00 0.00 176.83 174.04 1xs1 h LEU 113 N 0.00 0.23 -1.48 5.07 3.38 -0.81 -3.36 115.31 118.34 1xs1 h LEU 113 Ca 0.10 -0.78 0.24 0.00 0.09 0.00 0.00 57.88 57.53 1xs1 h LEU 113 Cb 0.43 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1xs1 h LEU 113 CO -0.00 1.52 0.65 0.00 0.09 0.00 0.00 178.44 180.70 1xs1 h ALA 114 N -0.15 2.29 -0.00 1.53 0.00 -0.57 0.17 119.26 122.52 1xs1 h ALA 114 Ca -0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xs1 h ALA 114 Cb 1.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xs1 h ALA 114 CO -0.02 -0.63 -0.03 0.54 0.00 0.00 0.00 179.25 179.11 1xs1 n ARG 115 N -4.54 1.05 -0.08 0.00 1.74 -0.77 -2.48 116.66 111.58 1xs1 n ARG 115 Ca 0.22 -0.29 0.03 0.00 -0.77 0.00 0.00 57.85 57.04 1xs1 n ARG 115 Cb 0.82 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.72 2.44 0.00 0.55 4.77 0.55 -5.00 117.00 119.59 1xs1 n LEU 116 Ca 0.20 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1xs1 n LEU 116 Cb 0.22 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1xs1 n LEU 116 CO 0.19 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1xs1 n GLY 117 N -0.02 0.60 3.55 -0.72 0.00 -1.01 -3.95 105.19 103.64 1xs1 n GLY 117 Ca 0.06 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 4.07 0.17 0.99 2.96 -1.00 0.70 118.68 126.58 1xs1 s LEU 118 Ca 0.00 0.02 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 1xs1 s LEU 118 Cb 0.00 -3.11 -0.08 0.00 0.50 0.00 0.00 46.19 43.50 1xs1 s LEU 118 CO 0.00 -1.04 0.82 -0.04 -1.32 0.00 0.00 176.35 174.77 1xs1 s MET 119 N 3.66 4.63 0.00 1.98 -1.94 -0.31 -4.07 119.30 123.25 1xs1 s MET 119 Ca 0.35 1.23 0.20 0.00 -1.71 0.00 0.00 55.69 55.76 1xs1 s MET 119 Cb -0.11 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.37 1xs1 s MET 119 CO 0.25 0.53 0.94 1.33 -0.01 0.00 0.00 175.02 178.06 1xs1 n VAL 120 N 1.69 0.00 -3.75 -6.03 0.24 -1.26 -2.01 118.33 107.21 1xs1 n VAL 120 Ca -0.04 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 1xs1 n VAL 120 Cb 0.48 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.93 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 -2.51 -0.10 -0.68 6.34 -3.43 -1.07 -1.42 115.29 112.42 1xs1 s HIS 121 Ca 0.13 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1xs1 s HIS 121 Cb 0.16 0.10 0.17 0.00 -1.43 0.00 0.00 32.58 31.58 1xs1 s HIS 121 CO 0.63 -0.51 0.50 0.08 -2.00 0.00 0.00 174.74 173.43 1xs1 s VAL 122 N -2.63 3.52 -0.95 -5.38 1.01 -1.26 -4.80 120.40 109.90 1xs1 s VAL 122 Ca -0.04 -3.47 -0.16 0.00 0.00 0.00 0.00 61.98 58.31 1xs1 s VAL 122 Cb -0.01 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1xs1 s VAL 122 CO -0.04 -0.93 0.30 0.35 0.00 0.00 0.00 175.10 174.77 1xs1 n THR 123 N 2.88 -1.41 -3.02 3.92 -2.24 -1.26 -4.91 114.28 108.24 1xs1 n THR 123 Ca 0.13 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1xs1 n THR 123 Cb 0.36 -1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 -3.97 -2.82 -0.04 6.98 0.00 -1.26 -5.04 121.76 115.61 1xs1 s ALA 124 Ca 0.22 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.55 1xs1 s ALA 124 Cb -0.12 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.28 1xs1 s ALA 124 CO 0.70 -2.29 0.93 -2.39 0.00 0.00 0.00 175.76 172.71 1xs1 n HIS 125 N 3.93 0.00 -2.98 0.00 -0.00 -1.26 -4.93 115.22 109.99 1xs1 n HIS 125 Ca 0.11 -0.45 -0.40 0.00 -0.00 0.00 0.00 57.72 56.98 1xs1 n HIS 125 Cb 0.58 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.99 30.46 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 -1.13 4.38 -0.35 -1.40 3.52 -1.26 -0.86 118.95 121.85 1xs1 s ARG 126 Ca 0.09 0.94 -0.08 0.00 -0.13 0.00 0.00 55.73 56.54 1xs1 s ARG 126 Cb 0.08 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1xs1 s ARG 126 CO 0.01 -0.09 0.15 0.42 -0.81 0.00 0.00 175.30 174.98 1xs1 s ILE 127 N 1.33 4.14 0.48 4.11 -1.09 0.17 -4.97 121.20 125.37 1xs1 s ILE 127 Ca 0.38 -1.00 -0.18 0.00 -2.23 0.00 0.00 60.65 57.62 1xs1 s ILE 127 Cb -0.17 -3.33 -0.09 0.00 -1.58 0.00 0.00 42.46 37.29 1xs1 s ILE 127 CO 0.16 -0.20 0.97 -1.81 -1.23 0.00 0.00 174.94 172.84 1xs1 s ASP 128 N 1.47 6.73 0.19 3.58 1.01 -1.26 0.16 116.67 128.55 1xs1 s ASP 128 Ca 0.00 1.64 -0.33 0.00 0.71 0.00 0.00 52.55 54.57 1xs1 s ASP 128 Cb -0.19 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.08 1xs1 s ASP 128 CO 0.05 -0.51 1.55 -0.81 0.21 0.00 0.00 175.17 175.65 1xs1 n PRO 129 N -1.18 2.21 0.00 8.23 -0.04 -1.19 -0.64 135.00 142.40 1xs1 n PRO 129 Ca 0.07 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1xs1 n PRO 129 Cb 0.54 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.05 2.39 3.69 0.55 0.00 -0.18 -0.20 105.19 114.49 1xs1 n GLY 130 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1xs1 n GLY 130 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xs1 n TRP 131 N -2.00 2.39 -3.54 1.61 -0.00 0.19 -3.29 117.44 112.80 1xs1 n TRP 131 Ca 0.00 0.31 -0.24 0.00 -0.00 0.00 0.00 57.50 57.57 1xs1 n TRP 131 Cb 0.00 -2.53 -0.15 0.00 -0.00 0.00 0.00 31.31 28.63 1xs1 n TRP 131 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xs1 s SER 132 N 0.59 2.29 0.00 5.87 0.15 -1.25 -0.66 113.70 120.70 1xs1 s SER 132 Ca 0.71 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1xs1 s SER 132 Cb -0.61 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1xs1 s SER 132 CO 0.44 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1xs1 n GLY 133 N 5.29 0.59 3.81 9.45 0.00 -0.71 -3.61 105.19 120.01 1xs1 n GLY 133 Ca -0.06 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.24 5.23 0.27 0.00 1.01 -1.26 -4.73 121.20 119.48 1xs1 s ILE 135 Ca 0.64 0.62 -0.25 0.00 0.00 0.00 0.00 60.65 61.65 1xs1 s ILE 135 Cb -0.14 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1xs1 s ILE 135 CO 0.25 0.28 0.88 -0.69 0.00 0.00 0.00 174.94 175.65 1xs1 s VAL 136 N 1.20 4.28 0.06 2.92 1.01 -1.26 -1.06 120.40 127.55 1xs1 s VAL 136 Ca 0.17 1.74 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1xs1 s VAL 136 Cb -0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1xs1 s VAL 136 CO 0.07 0.26 -0.19 -0.76 0.00 0.00 0.00 175.10 174.48 1xs1 s LEU 137 N -1.79 2.57 -0.35 3.92 1.43 0.22 -4.92 118.68 119.75 1xs1 s LEU 137 Ca 0.46 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1xs1 s LEU 137 Cb -0.20 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.62 1xs1 s LEU 137 CO 0.25 0.24 0.08 -1.61 0.23 0.00 0.00 176.35 175.54 1xs1 s GLU 138 N -1.56 1.89 -0.07 1.70 8.01 -0.51 -1.23 118.70 126.93 1xs1 s GLU 138 Ca 0.15 -1.71 -0.20 0.00 0.01 0.00 0.00 54.97 53.22 1xs1 s GLU 138 Cb -0.10 -3.30 -0.04 0.00 -4.31 0.00 0.00 34.13 26.37 1xs1 s GLU 138 CO 0.06 -0.90 0.57 -0.06 0.01 0.00 0.00 175.26 174.94 1xs1 s PHE 139 N 1.06 3.58 -0.08 1.61 2.99 0.68 -2.60 117.98 125.21 1xs1 s PHE 139 Ca 0.05 1.07 0.00 0.00 0.00 0.00 0.00 56.93 58.06 1xs1 s PHE 139 Cb -0.21 -2.64 0.02 0.00 0.00 0.00 0.00 43.02 40.20 1xs1 s PHE 139 CO -0.05 0.20 -0.06 -0.47 -0.00 0.00 0.00 175.22 174.84 1xs1 s TYR 140 N 0.45 1.15 -0.59 0.36 5.04 -0.85 -1.50 117.35 121.40 1xs1 s TYR 140 Ca 0.31 -0.48 -0.23 0.00 -2.44 0.00 0.00 57.07 54.23 1xs1 s TYR 140 Cb -0.17 -1.00 0.05 0.00 0.35 0.00 0.00 41.96 41.19 1xs1 s TYR 140 CO 0.14 -0.38 0.93 1.21 -1.34 0.00 0.00 175.55 176.12 1xs1 s ASN 141 N 1.47 6.26 0.00 4.32 3.84 -1.26 -1.17 114.94 128.41 1xs1 s ASN 141 Ca -0.01 -0.65 0.26 0.00 0.21 0.00 0.00 52.86 52.67 1xs1 s ASN 141 Cb -0.13 -2.42 0.68 0.00 -0.55 0.00 0.00 41.25 38.83 1xs1 s ASN 141 CO -0.04 -1.30 1.54 -1.54 -2.79 0.00 0.00 177.10 172.97 1xs1 n SER 142 N 7.49 2.16 -2.35 -4.21 3.41 0.22 -1.54 113.62 118.80 1xs1 n SER 142 Ca -0.01 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1xs1 n SER 142 Cb 0.46 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 1.25 0.08 0.08 5.00 0.00 -1.25 -4.89 105.19 105.46 1xs1 n GLY 143 Ca 0.17 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 3.18 -4.95 1.61 4.76 -1.26 -4.77 118.16 116.74 1xs1 n LYS 144 Ca 0.00 -0.32 -0.31 0.00 -2.87 0.00 0.00 58.31 54.81 1xs1 n LYS 144 Cb 0.00 -0.86 -0.14 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.48 2.27 0.61 -0.35 1.02 -1.26 -4.94 118.68 114.55 1xs1 s LEU 145 Ca 0.03 -0.50 -0.19 0.00 0.02 0.00 0.00 54.13 53.49 1xs1 s LEU 145 Cb 0.04 -1.37 -0.03 0.00 0.02 0.00 0.00 46.19 44.85 1xs1 s LEU 145 CO 0.13 0.28 1.25 -2.65 0.02 0.00 0.00 176.35 175.38 1xs1 n PRO 146 N 1.92 1.23 -4.64 1.29 -0.02 -1.26 -4.50 135.00 129.02 1xs1 n PRO 146 Ca -0.17 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 1xs1 n PRO 146 Cb 0.52 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 1xs1 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs1 s LEU 147 N -3.65 1.85 -0.20 2.45 1.43 -0.12 -4.99 118.68 115.45 1xs1 s LEU 147 Ca 0.78 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 1xs1 s LEU 147 Cb -0.40 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1xs1 s LEU 147 CO 0.44 0.05 0.88 0.00 0.23 0.00 0.00 176.35 177.96 1xs1 s ALA 148 N 0.81 3.58 -0.21 4.21 0.00 -1.26 -1.91 121.76 126.97 1xs1 s ALA 148 Ca -0.10 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1xs1 s ALA 148 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1xs1 s ALA 148 CO 0.01 -0.80 -0.03 -0.51 0.00 0.00 0.00 175.76 174.43 1xs1 s LEU 149 N 2.52 3.01 -0.11 0.00 1.43 0.46 -4.92 118.68 121.08 1xs1 s LEU 149 Ca 0.39 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1xs1 s LEU 149 Cb -0.16 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1xs1 s LEU 149 CO 0.10 0.02 -0.09 -0.13 0.23 0.00 0.00 176.35 176.48 1xs1 s ARG 150 N 1.26 3.15 0.21 1.70 0.52 -1.26 -1.03 118.95 123.50 1xs1 s ARG 150 Ca 0.03 -0.59 -0.32 0.00 -0.52 0.00 0.00 55.73 54.33 1xs1 s ARG 150 Cb -0.14 -2.67 -0.15 0.00 0.52 0.00 0.00 34.95 32.51 1xs1 s ARG 150 CO -0.01 0.42 1.17 -2.30 0.02 0.00 0.00 175.30 174.60 1xs1 n PRO 151 N 2.95 1.34 0.00 3.54 -0.02 -1.26 -2.16 135.00 139.39 1xs1 n PRO 151 Ca -0.18 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1xs1 n PRO 151 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.89 1.76 3.77 -1.23 0.00 0.43 -4.95 105.19 106.85 1xs1 n GLY 152 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.87 3.02 -0.16 1.61 0.23 -0.92 -4.50 119.30 117.71 1xs1 s MET 153 Ca 0.00 1.53 -0.29 0.00 -1.03 0.00 0.00 55.69 55.90 1xs1 s MET 153 Cb 0.00 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.29 1xs1 s MET 153 CO 0.00 -1.10 1.76 -0.51 -2.03 0.00 0.00 175.02 173.13 1xs1 s LEU 154 N -4.37 3.97 -0.00 0.18 1.43 -1.26 0.30 118.68 118.93 1xs1 s LEU 154 Ca 0.71 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1xs1 s LEU 154 Cb -0.23 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 1xs1 s LEU 154 CO 0.35 -1.28 0.06 0.00 0.23 0.00 0.00 176.35 175.71 1xs1 n ILE 155 N 6.33 0.00 -3.75 -0.59 0.13 -0.70 -4.91 119.36 115.87 1xs1 n ILE 155 Ca 0.20 -0.30 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1xs1 n ILE 155 Cb 0.44 0.80 0.00 0.00 -0.84 0.00 0.00 39.64 40.04 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 1.55 0.62 3.37 4.50 0.00 -1.18 -4.32 105.19 109.73 1xs1 n GLY 156 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.25 0.06 4.61 0.00 -0.94 -1.83 121.76 121.41 1xs1 s ALA 157 Ca 0.00 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1xs1 s ALA 157 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1xs1 s ALA 157 CO 0.00 -0.31 -0.17 -0.51 0.00 0.00 0.00 175.76 174.77 1xs1 s LEU 158 N -1.27 2.69 0.16 0.00 1.43 0.14 -1.67 118.68 120.16 1xs1 s LEU 158 Ca -0.12 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1xs1 s LEU 158 Cb -0.03 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1xs1 s LEU 158 CO 0.07 0.24 -0.14 -0.94 0.23 0.00 0.00 176.35 175.80 1xs1 s SER 159 N -1.62 2.29 -0.02 2.29 1.04 -1.01 -0.19 113.70 116.48 1xs1 s SER 159 Ca 0.16 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1xs1 s SER 159 Cb -0.11 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 1xs1 s SER 159 CO 0.07 -0.16 -0.10 -0.36 0.98 0.00 0.00 173.24 173.66 1xs1 s PHE 160 N -2.61 0.99 -0.18 5.02 0.40 -1.26 -1.89 117.98 118.45 1xs1 s PHE 160 Ca 0.16 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1xs1 s PHE 160 Cb -0.02 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.86 1xs1 s PHE 160 CO 0.05 -0.07 -0.17 -2.00 0.70 0.00 0.00 175.22 173.73 1xs1 s GLU 161 N -0.02 2.71 0.53 0.44 2.12 -0.45 -0.08 118.70 123.95 1xs1 s GLU 161 Ca 0.00 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.34 1xs1 s GLU 161 Cb -0.07 -2.47 -0.06 0.00 0.26 0.00 0.00 34.13 31.79 1xs1 s GLU 161 CO 0.00 -0.26 1.07 -1.25 -0.54 0.00 0.00 175.26 174.29 1xs1 s PRO 162 N 1.33 3.53 0.55 4.30 0.04 -1.25 -0.59 135.00 142.91 1xs1 s PRO 162 Ca 0.04 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 1xs1 s PRO 162 Cb -0.14 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1xs1 s PRO 162 CO -0.12 -0.67 0.79 -0.51 0.04 0.00 0.00 177.00 176.54 1xs1 s LEU 163 N -3.81 3.28 0.52 -3.56 1.43 0.81 -4.82 118.68 112.53 1xs1 s LEU 163 Ca 0.68 0.13 0.28 0.00 -1.03 0.00 0.00 54.13 54.19 1xs1 s LEU 163 Cb -0.19 -2.98 1.40 0.00 0.03 0.00 0.00 46.19 44.46 1xs1 s LEU 163 CO 0.26 -1.12 2.04 0.77 0.23 0.00 0.00 176.35 178.53 1xs1 h SER 164 N 0.03 0.00 -5.10 2.29 4.64 -1.96 -3.46 113.55 110.00 1xs1 h SER 164 Ca -0.43 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1xs1 h SER 164 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1xs1 h SER 164 CO 0.54 0.13 0.34 -0.83 -0.87 0.00 0.00 176.83 176.14 1xs1 s GLY 165 N -4.21 0.20 0.05 -0.77 0.00 -1.26 -5.14 107.32 96.20 1xs1 s GLY 165 Ca -0.02 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 1xs1 s GLY 165 CO 0.59 0.23 1.08 2.56 0.00 0.00 0.00 173.10 177.56 1xs1 s PRO 166 N -2.64 4.52 0.32 2.90 0.04 -1.26 -4.65 135.00 134.23 1xs1 s PRO 166 Ca 0.16 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1xs1 s PRO 166 Cb -0.05 -3.39 -0.11 0.00 0.04 0.00 0.00 34.50 31.00 1xs1 s PRO 166 CO 0.09 -0.10 1.48 0.00 0.04 0.00 0.00 177.00 178.50 1xs1 s ALA 167 N 0.83 3.62 0.07 8.56 0.00 -0.78 -4.90 121.76 129.17 1xs1 s ALA 167 Ca 0.54 1.48 0.13 0.00 0.00 0.00 0.00 51.96 54.11 1xs1 s ALA 167 Cb -0.25 -3.59 0.20 0.00 0.00 0.00 0.00 23.12 19.48 1xs1 s ALA 167 CO 0.29 -0.91 1.50 0.28 0.00 0.00 0.00 175.76 176.93 1xs1 h VAL 168 N 3.20 1.18 -2.15 0.00 2.07 -1.93 -3.37 116.25 115.25 1xs1 h VAL 168 Ca -0.49 -2.34 -0.59 0.00 0.82 0.00 0.00 66.70 64.11 1xs1 h VAL 168 Cb 1.23 2.36 -0.41 0.00 -1.52 0.00 0.00 31.29 32.95 1xs1 h VAL 168 CO 0.71 0.60 -0.72 0.54 0.02 0.00 0.00 177.57 178.73 1xs1 n ARG 169 N -3.43 2.16 -1.51 1.57 1.74 -1.26 -5.06 116.66 110.87 1xs1 n ARG 169 Ca 0.00 -4.35 -0.30 0.00 -0.77 0.00 0.00 57.85 52.44 1xs1 n ARG 169 Cb 0.71 -2.02 0.11 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.27 1.72 0.27 5.56 0.04 -1.26 -4.74 135.00 134.33 1xs1 s PRO 170 Ca 0.40 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 61.96 1xs1 s PRO 170 Cb 0.17 -1.88 0.36 0.00 0.04 0.00 0.00 34.50 33.18 1xs1 s PRO 170 CO -0.04 -1.85 1.92 -0.92 0.04 0.00 0.00 177.00 176.15 1xs1 h TYR 171 N -1.26 1.19 0.00 0.56 3.20 -0.81 -2.28 116.97 117.57 1xs1 h TYR 171 Ca -0.48 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 1xs1 h TYR 171 Cb 1.29 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 1xs1 h TYR 171 CO 0.41 0.71 -0.05 -2.95 -1.64 0.00 0.00 178.16 174.64 1xs1 h ASN 172 N 1.25 0.00 0.00 -2.11 -1.07 -1.79 -2.74 115.58 109.12 1xs1 h ASN 172 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.74 1xs1 h ASN 172 Cb -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.21 1xs1 h ASN 172 CO -0.11 0.05 -1.31 0.54 0.07 0.00 0.00 177.43 176.67 1xs1 n ARG 173 N -3.17 0.82 -2.50 4.14 1.74 -0.91 -4.95 116.66 111.82 1xs1 n ARG 173 Ca 0.00 -0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 1xs1 n ARG 173 Cb 0.32 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.97 3.93 0.43 5.56 3.52 -0.91 -4.90 118.95 123.60 1xs1 s ARG 174 Ca 0.01 1.11 0.15 0.00 -0.13 0.00 0.00 55.73 56.86 1xs1 s ARG 174 Cb 0.13 -3.85 1.05 0.00 -1.56 0.00 0.00 34.95 30.73 1xs1 s ARG 174 CO 0.76 -1.10 1.95 1.05 -0.81 0.00 0.00 175.30 177.14 1xs1 h GLU 175 N 8.98 0.39 -0.61 5.12 4.11 -1.92 -1.07 114.58 129.57 1xs1 h GLU 175 Ca -0.24 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1xs1 h GLU 175 Cb 1.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xs1 h GLU 175 CO 1.05 0.26 0.00 -0.40 0.07 0.00 0.00 179.01 179.98 1xs1 n ASP 176 N -4.47 5.27 -4.76 3.06 5.75 -1.26 -4.95 116.55 115.19 1xs1 n ASP 176 Ca 0.12 -2.71 -0.41 0.00 -0.01 0.00 0.00 54.79 51.78 1xs1 n ASP 176 Cb 0.46 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 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 -2.34 3.58 -0.11 2.12 0.00 -0.41 -4.94 121.76 119.67 1xs1 s ALA 177 Ca 0.53 1.35 0.16 0.00 0.00 0.00 0.00 51.96 54.00 1xs1 s ALA 177 Cb 0.38 -3.54 -0.20 0.00 0.00 0.00 0.00 23.12 19.75 1xs1 s ALA 177 CO 0.20 -0.76 0.61 1.63 0.00 0.00 0.00 175.76 177.43 1xs1 n LYS 178 N 1.58 0.64 -0.79 0.00 5.02 -1.26 -4.61 118.16 118.73 1xs1 n LYS 178 Ca 0.04 0.18 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 1xs1 n LYS 178 Cb 0.40 -1.73 0.19 0.00 -0.02 0.00 0.00 35.03 33.87 1xs1 n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xs1 n TYR 179 N -2.87 0.48 -1.52 2.13 4.02 -1.26 -5.02 117.16 113.12 1xs1 n TYR 179 Ca -0.16 -1.61 -0.30 0.00 -0.01 0.00 0.00 57.90 55.82 1xs1 n TYR 179 Cb 0.95 -0.31 0.08 0.00 -0.02 0.00 0.00 39.34 40.04 1xs1 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs1 s ARG 180 N -3.29 2.41 -1.21 -0.72 3.00 -1.26 -3.60 118.95 114.28 1xs1 s ARG 180 Ca 0.41 0.82 -0.03 0.00 0.00 0.00 0.00 55.73 56.92 1xs1 s ARG 180 Cb 0.38 -1.94 0.00 0.00 0.00 0.00 0.00 34.95 33.39 1xs1 s ARG 180 CO -0.05 -1.44 0.44 0.09 0.00 0.00 0.00 175.30 174.35 1xs1 n ASN 181 N -3.34 -5.06 -4.61 0.23 3.02 -1.24 -4.94 115.26 99.32 1xs1 n ASN 181 Ca 0.07 -0.21 -0.42 0.00 -0.03 0.00 0.00 54.58 54.00 1xs1 n ASN 181 Cb 0.55 -3.93 -0.05 0.00 -0.61 0.00 0.00 39.78 35.74 1xs1 n ASN 181 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xs1 s GLN 182 N -5.39 3.92 -0.06 3.52 0.74 -1.24 -4.90 119.66 116.25 1xs1 s GLN 182 Ca 0.22 0.57 0.18 0.00 0.05 0.00 0.00 55.36 56.38 1xs1 s GLN 182 Cb -0.10 -3.75 0.37 0.00 1.10 0.00 0.00 33.01 30.63 1xs1 s GLN 182 CO 0.27 -0.76 1.16 1.04 -0.55 0.00 0.00 175.29 176.46 1xs1 n GLN 183 N 6.35 0.49 -3.08 1.67 6.02 -1.26 0.13 117.38 127.71 1xs1 n GLN 183 Ca 0.04 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.78 1xs1 n GLN 183 Cb 0.48 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.17 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 -0.10 -1.25 3.58 1.08 0.00 -1.26 -5.00 105.19 102.24 1xs1 n GLY 184 Ca 0.09 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1xs1 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ALA 185 N -1.09 2.93 0.04 4.61 0.00 -1.26 -4.83 121.76 122.16 1xs1 s ALA 185 Ca 0.00 -2.73 -0.30 0.00 0.00 0.00 0.00 51.96 48.93 1xs1 s ALA 185 Cb 0.00 -4.66 -0.04 0.00 0.00 0.00 0.00 23.12 18.42 1xs1 s ALA 185 CO 0.00 -3.79 1.00 0.08 0.00 0.00 0.00 175.76 173.05 1xs1 s VAL 186 N 5.95 4.66 0.84 0.00 1.01 -1.26 -4.78 120.40 126.82 1xs1 s VAL 186 Ca 0.58 1.98 -0.12 0.00 0.00 0.00 0.00 61.98 64.42 1xs1 s VAL 186 Cb 0.03 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.24 1xs1 s VAL 186 CO 0.09 0.19 1.14 0.00 0.00 0.00 0.00 175.10 176.53 1xs1 s ALA 187 N 0.75 2.25 0.27 5.51 0.00 -1.26 -4.98 121.76 124.30 1xs1 s ALA 187 Ca 0.52 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1xs1 s ALA 187 Cb -0.23 -3.02 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 1xs1 s ALA 187 CO 0.29 -1.88 1.30 0.45 0.00 0.00 0.00 175.76 175.91 1xs1 n SER 188 N -3.49 2.41 -1.47 0.00 2.88 -1.26 -4.92 113.62 107.77 1xs1 n SER 188 Ca 0.07 1.16 -0.12 0.00 -1.33 0.00 0.00 58.87 58.65 1xs1 n SER 188 Cb 0.59 -1.40 0.12 0.00 -0.75 0.00 0.00 64.21 62.77 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 1.43 2.57 -0.00 -1.46 1.74 -1.26 -4.76 116.66 114.92 1xs1 n ARG 189 Ca 0.10 -3.63 0.23 0.00 -0.77 0.00 0.00 57.85 53.78 1xs1 n ARG 189 Cb 0.32 -2.00 0.71 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.48 0.35 0.00 0.55 6.09 -1.96 0.41 117.51 124.43 1xs1 h ILE 190 Ca 0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1xs1 h ILE 190 Cb 1.37 0.54 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1xs1 h ILE 190 CO 0.55 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.73 1xs1 n ASP 191 N -3.75 0.00 -0.61 2.19 5.75 -1.26 -2.45 116.55 116.42 1xs1 n ASP 191 Ca 0.12 -0.05 0.13 0.00 -0.01 0.00 0.00 54.79 54.98 1xs1 n ASP 191 Cb 0.81 -0.22 0.31 0.00 -1.03 0.00 0.00 41.12 40.99 1xs1 n ASP 191 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xs1 n LYS 192 N -1.22 1.73 0.00 0.11 5.02 0.15 -4.90 118.16 119.04 1xs1 n LYS 192 Ca 0.08 -1.22 0.01 0.00 -2.02 0.00 0.00 58.31 55.15 1xs1 n LYS 192 Cb 0.10 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1xs1 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63