#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 1.83 0.17 2.12 1.81 -1.26 -4.02 118.95 119.60 1xs1 s ARG 2 Ca 0.00 -1.25 -0.32 0.00 -1.72 0.00 0.00 55.73 52.44 1xs1 s ARG 2 Cb 0.00 -2.09 -0.10 0.00 -0.45 0.00 0.00 34.95 32.30 1xs1 s ARG 2 CO 0.00 0.46 1.61 -0.51 -0.68 0.00 0.00 175.30 176.17 1xs1 s LEU 3 N -2.42 4.37 0.80 2.53 1.43 -0.72 -5.01 118.68 119.66 1xs1 s LEU 3 Ca 0.20 2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 1xs1 s LEU 3 Cb -0.10 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.60 1xs1 s LEU 3 CO 0.12 -0.86 1.10 0.00 0.23 0.00 0.00 176.35 176.93 1xs1 h ASP 5 N -1.11 0.86 -0.65 0.00 3.04 -0.14 -0.32 116.42 118.10 1xs1 h ASP 5 Ca -0.47 0.05 -0.02 0.00 -3.24 0.00 0.00 57.03 53.35 1xs1 h ASP 5 Cb 1.27 -0.12 -0.03 0.00 -1.04 0.00 0.00 39.33 39.41 1xs1 h ASP 5 CO 0.59 0.43 0.34 -0.09 -2.04 0.00 0.00 179.24 178.48 1xs1 h ARG 6 N 0.91 0.92 0.00 4.15 2.43 -1.93 -0.28 114.38 120.57 1xs1 h ARG 6 Ca 0.50 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.40 1xs1 h ARG 6 Cb 0.59 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1xs1 h ARG 6 CO -0.27 0.70 -0.71 -0.44 -1.51 0.00 0.00 179.97 177.75 1xs1 h ASP 7 N 0.89 0.00 -0.75 -3.80 3.32 -1.61 0.22 116.42 114.69 1xs1 h ASP 7 Ca 0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1xs1 h ASP 7 Cb 0.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1xs1 h ASP 7 CO -0.03 0.71 0.39 0.40 -1.72 0.00 0.00 179.24 178.98 1xs1 h ILE 8 N 0.00 1.23 -0.02 0.35 2.04 -0.82 0.27 117.51 120.57 1xs1 h ILE 8 Ca -0.01 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.27 1xs1 h ILE 8 Cb 1.25 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1xs1 h ILE 8 CO 0.09 0.26 -0.40 -0.33 0.00 0.00 0.00 178.15 177.77 1xs1 h GLU 9 N 1.04 -0.53 -0.81 2.37 5.08 -0.42 -2.30 114.58 119.01 1xs1 h GLU 9 Ca 0.26 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1xs1 h GLU 9 Cb 0.07 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1xs1 h GLU 9 CO -0.04 -0.35 0.48 0.00 -1.00 0.00 0.00 179.01 178.10 1xs1 h ALA 10 N 0.03 1.03 -0.54 3.43 0.00 -0.46 0.30 119.26 123.05 1xs1 h ALA 10 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xs1 h ALA 10 Cb 0.64 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xs1 h ALA 10 CO -0.32 0.50 0.25 -1.49 0.00 0.00 0.00 179.25 178.19 1xs1 h TRP 11 N 1.11 0.78 -0.32 0.00 4.06 -0.39 -0.53 115.95 120.67 1xs1 h TRP 11 Ca 0.29 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 61.16 1xs1 h TRP 11 Cb -0.03 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 27.87 1xs1 h TRP 11 CO -0.00 0.62 0.07 -0.07 -3.56 0.00 0.00 178.44 175.49 1xs1 h LEU 12 N 0.72 0.49 -0.66 -4.49 3.38 -0.74 0.68 115.31 114.70 1xs1 h LEU 12 Ca 0.18 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1xs1 h LEU 12 Cb 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1xs1 h LEU 12 CO -0.02 0.61 0.36 0.44 0.09 0.00 0.00 178.44 179.92 1xs1 h ASP 13 N 0.36 0.53 0.73 -0.43 3.32 -0.18 -1.67 116.42 119.08 1xs1 h ASP 13 Ca 0.10 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1xs1 h ASP 13 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xs1 h ASP 13 CO 0.00 0.34 -0.14 -0.62 -1.72 0.00 0.00 179.24 177.11 1xs1 n GLU 14 N -4.80 0.16 -1.50 3.56 1.02 -0.23 -4.94 120.64 113.92 1xs1 n GLU 14 Ca 0.08 -0.04 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 1xs1 n GLU 14 Cb 0.18 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 1xs1 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs1 n GLY 15 N 1.44 0.47 0.15 0.62 0.00 0.20 -4.90 105.19 103.17 1xs1 n GLY 15 Ca 0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.06 -4.66 1.61 3.08 -0.84 -3.45 114.38 110.17 1xs1 h ARG 16 Ca -0.07 -0.04 -0.24 0.00 0.07 0.00 0.00 59.98 59.69 1xs1 h ARG 16 Cb 0.57 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.48 1xs1 h ARG 16 CO 0.10 0.65 -0.67 -0.48 -1.07 0.00 0.00 179.97 178.50 1xs1 s LEU 17 N -7.71 2.20 -0.05 3.04 0.05 -1.20 -4.17 118.68 110.85 1xs1 s LEU 17 Ca -0.02 -1.12 0.03 0.00 0.05 0.00 0.00 54.13 53.07 1xs1 s LEU 17 Cb 0.13 0.01 0.01 0.00 -2.05 0.00 0.00 46.19 44.28 1xs1 s LEU 17 CO 0.77 -0.56 -0.11 -0.55 -0.55 0.00 0.00 176.35 175.34 1xs1 s SER 18 N -3.10 1.57 -0.18 1.48 0.15 -0.49 -4.27 113.70 108.87 1xs1 s SER 18 Ca 0.19 -0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 1xs1 s SER 18 Cb 0.06 -0.58 0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1xs1 s SER 18 CO 0.00 0.06 -0.02 -0.63 1.20 0.00 0.00 173.24 173.85 1xs1 s ILE 19 N 0.42 0.91 -0.13 6.45 1.01 -1.26 -0.62 121.20 127.98 1xs1 s ILE 19 Ca -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1xs1 s ILE 19 Cb -0.13 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1xs1 s ILE 19 CO 0.02 -0.00 -0.11 0.20 0.00 0.00 0.00 174.94 175.05 1xs1 s ASN 20 N 1.70 2.46 0.51 3.58 0.01 -0.06 -1.92 114.94 121.23 1xs1 s ASN 20 Ca -0.00 -0.41 -0.19 0.00 -0.71 0.00 0.00 52.86 51.55 1xs1 s ASN 20 Cb -0.16 -1.03 -0.07 0.00 0.41 0.00 0.00 41.25 40.40 1xs1 s ASN 20 CO -0.07 -0.09 1.04 -2.16 -1.51 0.00 0.00 177.10 174.31 1xs1 s PRO 21 N 1.59 3.71 -0.04 -0.60 0.04 -1.26 0.65 135.00 139.09 1xs1 s PRO 21 Ca 0.05 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 1xs1 s PRO 21 Cb -0.13 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1xs1 s PRO 21 CO -0.10 -0.50 1.46 0.50 0.04 0.00 0.00 177.00 178.40 1xs1 s ARG 22 N -3.47 4.24 0.46 4.56 3.52 -0.81 -4.89 118.95 122.56 1xs1 s ARG 22 Ca 0.66 1.99 -0.25 0.00 -0.13 0.00 0.00 55.73 58.01 1xs1 s ARG 22 Cb -0.16 -3.72 -0.08 0.00 -1.56 0.00 0.00 34.95 29.44 1xs1 s ARG 22 CO 0.24 -0.68 1.36 -2.14 -0.81 0.00 0.00 175.30 173.27 1xs1 s PRO 23 N 3.04 3.67 0.95 5.12 0.02 -1.26 -5.01 135.00 141.53 1xs1 s PRO 23 Ca 0.65 2.26 -0.13 0.00 0.02 0.00 0.00 61.00 63.81 1xs1 s PRO 23 Cb -0.31 -2.60 0.16 0.00 0.02 0.00 0.00 34.50 31.78 1xs1 s PRO 23 CO 0.26 -0.77 1.14 -1.25 -0.33 0.00 0.00 177.00 176.04 1xs1 s PRO 24 N -2.49 0.86 0.34 5.54 0.04 -1.26 -4.82 135.00 133.21 1xs1 s PRO 24 Ca 0.62 0.26 0.14 0.00 0.04 0.00 0.00 61.00 62.06 1xs1 s PRO 24 Cb -0.40 -1.81 1.05 0.00 0.04 0.00 0.00 34.50 33.38 1xs1 s PRO 24 CO 0.51 -2.38 1.69 -0.24 0.04 0.00 0.00 177.00 176.61 1xs1 h VAL 25 N -1.63 0.37 0.00 -0.36 3.04 -1.95 0.12 116.25 115.84 1xs1 h VAL 25 Ca -0.50 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1xs1 h VAL 25 Cb 1.33 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1xs1 h VAL 25 CO 0.58 0.07 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.86 1xs1 h GLU 26 N 0.39 0.00 -0.02 4.17 3.07 -2.03 -1.23 114.58 118.91 1xs1 h GLU 26 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1xs1 h GLU 26 Cb 1.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.50 1xs1 h GLU 26 CO -0.54 0.02 -0.02 0.54 -1.40 0.00 0.00 179.01 177.61 1xs1 n ARG 27 N -3.21 2.07 -3.99 2.33 5.12 0.03 -4.77 116.66 114.23 1xs1 n ARG 27 Ca -0.02 -1.58 -0.34 0.00 -1.93 0.00 0.00 57.85 53.99 1xs1 n ARG 27 Cb 0.18 -1.47 -0.15 0.00 -1.16 0.00 0.00 32.46 29.87 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 -2.02 2.67 -0.05 0.55 1.01 -0.47 -0.96 121.20 121.93 1xs1 s ILE 28 Ca 0.31 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 1xs1 s ILE 28 Cb 0.20 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.33 1xs1 s ILE 28 CO 0.32 0.14 0.62 0.54 0.00 0.00 0.00 174.94 176.57 1xs1 s ASN 29 N 1.27 -0.59 1.35 3.58 2.20 -0.88 -4.91 114.94 116.96 1xs1 s ASN 29 Ca -0.02 0.62 0.00 0.00 -0.94 0.00 0.00 52.86 52.52 1xs1 s ASN 29 Cb -0.17 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.59 1xs1 s ASN 29 CO -0.05 -0.58 0.00 0.61 -2.94 0.00 0.00 177.10 174.14 1xs1 n GLY 30 N 0.98 1.11 0.43 0.45 0.00 -1.26 -1.55 105.19 105.36 1xs1 n GLY 30 Ca -0.19 0.34 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 8.37 2.37 -2.37 4.61 0.00 -1.26 0.60 120.51 132.82 1xs1 n ALA 31 Ca 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 53.44 51.20 1xs1 n ALA 31 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.66 0.54 -0.22 0.00 -4.23 -0.59 -4.37 115.64 105.09 1xs1 s THR 32 Ca 0.22 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1xs1 s THR 32 Cb 0.21 -1.32 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 1xs1 s THR 32 CO -0.01 -0.76 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.57 1xs1 s VAL 33 N -3.02 3.30 0.46 2.29 1.01 0.06 -2.06 120.40 122.44 1xs1 s VAL 33 Ca 0.04 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1xs1 s VAL 33 Cb 0.01 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 1xs1 s VAL 33 CO -0.04 0.39 1.13 -1.81 0.00 0.00 0.00 175.10 174.77 1xs1 s ASP 34 N 1.46 6.21 0.26 3.32 1.01 -0.13 -1.34 116.67 127.46 1xs1 s ASP 34 Ca 0.05 2.22 0.11 0.00 0.71 0.00 0.00 52.55 55.64 1xs1 s ASP 34 Cb -0.15 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 1xs1 s ASP 34 CO -0.04 -0.88 -0.18 0.68 0.21 0.00 0.00 175.17 174.96 1xs1 s VAL 35 N -1.62 2.27 0.37 -1.27 -7.23 -0.61 -4.87 120.40 107.44 1xs1 s VAL 35 Ca 0.64 -2.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 1xs1 s VAL 35 Cb -0.26 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1xs1 s VAL 35 CO 0.31 -0.45 0.08 -0.13 -0.31 0.00 0.00 175.10 174.60 1xs1 s ARG 36 N -3.54 2.14 0.04 4.82 0.52 -1.26 -0.95 118.95 120.72 1xs1 s ARG 36 Ca 0.28 -1.79 -0.26 0.00 -0.52 0.00 0.00 55.73 53.44 1xs1 s ARG 36 Cb -0.04 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.43 1xs1 s ARG 36 CO 0.13 0.04 0.80 -1.17 0.02 0.00 0.00 175.30 175.12 1xs1 s LEU 37 N -3.79 4.44 0.00 2.53 2.96 0.30 -1.28 118.68 123.85 1xs1 s LEU 37 Ca 0.37 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 1xs1 s LEU 37 Cb 0.02 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.42 1xs1 s LEU 37 CO 0.21 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1xs1 n GLY 38 N 2.46 -1.10 0.60 7.98 0.00 0.22 0.39 105.19 115.73 1xs1 n GLY 38 Ca -0.01 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.17 1.55 -4.13 1.61 6.94 -1.26 -4.23 115.26 114.56 1xs1 n ASN 39 Ca 0.00 -3.09 -0.30 0.00 -0.02 0.00 0.00 54.58 51.17 1xs1 n ASN 39 Cb 0.00 -0.42 -0.17 0.00 -2.36 0.00 0.00 39.78 36.84 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 -2.14 2.65 0.09 -3.83 1.02 -1.26 -2.43 119.74 113.84 1xs1 s LYS 40 Ca 0.31 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1xs1 s LYS 40 Cb 0.30 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1xs1 s LYS 40 CO -0.05 0.02 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.31 1xs1 s PHE 41 N 0.74 0.76 -0.03 3.18 0.40 0.08 -3.59 117.98 119.51 1xs1 s PHE 41 Ca -0.11 -1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 55.11 1xs1 s PHE 41 Cb -0.16 -0.47 0.01 0.00 0.51 0.00 0.00 43.02 42.91 1xs1 s PHE 41 CO 0.01 -0.30 0.20 1.03 0.70 0.00 0.00 175.22 176.86 1xs1 s ARG 42 N -3.91 0.41 0.39 0.44 0.52 0.26 0.26 118.95 117.32 1xs1 s ARG 42 Ca 0.12 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1xs1 s ARG 42 Cb 0.07 0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 1xs1 s ARG 42 CO -0.05 -0.09 0.07 0.95 0.02 0.00 0.00 175.30 176.20 1xs1 s THR 43 N -0.74 1.08 -0.08 0.02 -4.23 -1.26 -1.04 115.64 109.38 1xs1 s THR 43 Ca -0.08 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1xs1 s THR 43 Cb -0.05 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1xs1 s THR 43 CO 0.01 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.74 1xs1 s PHE 44 N -3.15 3.17 -0.64 3.99 0.40 -1.26 0.26 117.98 120.75 1xs1 s PHE 44 Ca 0.28 0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1xs1 s PHE 44 Cb 0.06 -1.78 0.16 0.00 0.51 0.00 0.00 43.02 41.96 1xs1 s PHE 44 CO 0.14 0.48 0.42 -0.98 0.70 0.00 0.00 175.22 175.97 1xs1 s ARG 45 N -0.96 2.31 0.50 0.44 1.70 0.48 -4.91 118.95 118.50 1xs1 s ARG 45 Ca 0.14 -3.09 0.34 0.00 -0.47 0.00 0.00 55.73 52.64 1xs1 s ARG 45 Cb -0.11 -3.40 1.69 0.00 -0.57 0.00 0.00 34.95 32.56 1xs1 s ARG 45 CO 0.03 -1.22 2.02 0.78 -1.08 0.00 0.00 175.30 175.83 1xs1 h GLY 46 N 5.80 0.00 1.84 3.88 0.00 -1.91 -3.17 103.07 109.50 1xs1 h GLY 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1xs1 h GLY 46 CO 0.71 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.86 1xs1 n HIS 47 N -2.75 0.00 1.02 5.60 1.44 -1.26 -3.02 115.22 116.25 1xs1 n HIS 47 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1xs1 n HIS 47 Cb 0.13 -0.42 0.18 0.00 0.12 0.00 0.00 29.99 30.00 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 -1.42 0.00 -3.71 0.61 -2.24 -1.20 -4.95 114.28 101.37 1xs1 n THR 48 Ca 0.08 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1xs1 n THR 48 Cb 0.26 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.93 -1.01 0.02 6.98 0.00 -1.17 -4.94 121.76 118.71 1xs1 s ALA 49 Ca 0.12 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 1xs1 s ALA 49 Cb 0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 23.12 22.99 1xs1 s ALA 49 CO 0.71 -0.27 0.93 0.00 0.00 0.00 0.00 175.76 177.13 1xs1 h ALA 50 N 3.89 0.26 -2.53 0.00 0.00 -1.93 -3.47 119.26 115.49 1xs1 h ALA 50 Ca -0.29 -1.07 0.14 0.00 0.00 0.00 0.00 54.91 53.69 1xs1 h ALA 50 Cb 1.17 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1xs1 h ALA 50 CO 0.38 1.13 0.48 -0.59 0.00 0.00 0.00 179.25 180.65 1xs1 s PHE 51 N -2.63 -0.03 -0.10 0.00 -0.12 -1.26 -5.14 117.98 108.70 1xs1 s PHE 51 Ca -0.07 -0.37 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 1xs1 s PHE 51 Cb 0.07 0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 43.14 1xs1 s PHE 51 CO 0.86 -0.98 -0.18 0.42 -0.05 0.00 0.00 175.22 175.28 1xs1 s ILE 52 N -2.80 2.62 -0.83 -4.49 1.01 -1.26 -5.02 121.20 110.43 1xs1 s ILE 52 Ca 0.16 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 1xs1 s ILE 52 Cb -0.03 -2.05 0.21 0.00 0.01 0.00 0.00 42.46 40.60 1xs1 s ILE 52 CO 0.05 0.55 0.79 -0.62 0.00 0.00 0.00 174.94 175.71 1xs1 s ASP 53 N 0.18 6.74 0.43 3.58 -1.08 -1.26 -4.90 116.67 120.36 1xs1 s ASP 53 Ca -0.11 -2.61 0.23 0.00 -0.52 0.00 0.00 52.55 49.55 1xs1 s ASP 53 Cb -0.16 -2.23 1.22 0.00 -1.46 0.00 0.00 42.92 40.29 1xs1 s ASP 53 CO 0.06 -0.63 1.77 -0.07 0.52 0.00 0.00 175.17 176.82 1xs1 h LEU 54 N 8.06 0.34 -4.69 -1.34 3.38 -1.98 0.85 115.31 119.93 1xs1 h LEU 54 Ca 0.10 0.07 -0.63 0.00 0.09 0.00 0.00 57.88 57.51 1xs1 h LEU 54 Cb 1.04 0.02 -0.38 0.00 0.09 0.00 0.00 40.66 41.43 1xs1 h LEU 54 CO 0.79 0.05 -0.29 -0.24 0.09 0.00 0.00 178.44 178.84 1xs1 n SER 55 N -4.54 5.38 -4.41 -0.43 2.88 -1.26 -4.81 113.62 106.42 1xs1 n SER 55 Ca 0.26 -3.75 -0.21 0.00 -1.33 0.00 0.00 58.87 53.85 1xs1 n SER 55 Cb 0.99 -0.61 0.01 0.00 -0.75 0.00 0.00 64.21 63.85 1xs1 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xs1 n GLY 56 N -0.48 2.61 3.65 0.46 0.00 0.29 -5.05 105.19 106.68 1xs1 n GLY 56 Ca 0.42 -2.26 -0.52 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.69 1.52 -0.03 1.61 -0.02 -1.26 -4.78 135.00 130.35 1xs1 n PRO 57 Ca 0.02 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1xs1 n PRO 57 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 6.20 0.08 -0.40 -0.52 3.64 -1.96 0.18 116.57 123.79 1xs1 h LYS 58 Ca -0.47 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1xs1 h LYS 58 Cb 1.30 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 1xs1 h LYS 58 CO 0.87 0.05 0.11 -0.44 -2.27 0.00 0.00 179.45 177.78 1xs1 h ASP 59 N 0.08 0.08 -0.09 4.20 3.32 -1.92 -1.69 116.42 120.42 1xs1 h ASP 59 Ca 0.07 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1xs1 h ASP 59 Cb 0.08 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1xs1 h ASP 59 CO -0.11 0.08 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.04 1xs1 h GLU 60 N 0.25 -0.46 -0.51 3.56 4.57 -1.60 0.37 114.58 120.76 1xs1 h GLU 60 Ca 0.19 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1xs1 h GLU 60 Cb 0.20 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1xs1 h GLU 60 CO -0.22 -0.31 0.28 0.28 -1.18 0.00 0.00 179.01 177.86 1xs1 h VAL 61 N -0.48 1.00 -0.83 0.32 2.07 -0.42 0.13 116.25 118.04 1xs1 h VAL 61 Ca 0.07 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1xs1 h VAL 61 Cb 0.60 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1xs1 h VAL 61 CO -0.35 0.10 0.50 -1.28 0.02 0.00 0.00 177.57 176.56 1xs1 h SER 62 N 0.55 0.77 -0.71 0.57 0.87 -0.91 0.46 113.55 115.15 1xs1 h SER 62 Ca 0.21 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1xs1 h SER 62 Cb 0.08 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1xs1 h SER 62 CO -0.12 0.48 0.32 0.00 -0.53 0.00 0.00 176.83 176.98 1xs1 h ALA 63 N 1.42 0.91 0.16 6.23 0.00 0.17 -0.76 119.26 127.39 1xs1 h ALA 63 Ca 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xs1 h ALA 63 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xs1 h ALA 63 CO -0.20 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.47 1xs1 h ALA 64 N 1.15 -0.22 -0.64 0.00 0.00 -0.06 -2.26 119.26 117.25 1xs1 h ALA 64 Ca 0.24 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1xs1 h ALA 64 Cb 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1xs1 h ALA 64 CO -0.03 -0.40 0.21 -0.07 0.00 0.00 0.00 179.25 178.96 1xs1 h LEU 65 N -0.65 0.17 -1.24 0.00 3.38 -0.09 0.08 115.31 116.95 1xs1 h LEU 65 Ca -0.02 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1xs1 h LEU 65 Cb 0.48 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1xs1 h LEU 65 CO 0.04 0.09 0.02 0.44 0.09 0.00 0.00 178.44 179.12 1xs1 h ASP 66 N 0.37 0.50 -0.00 -0.43 3.32 -1.15 -1.95 116.42 117.08 1xs1 h ASP 66 Ca 0.33 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xs1 h ASP 66 Cb 0.46 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1xs1 h ASP 66 CO -0.36 0.56 -0.01 0.03 -1.72 0.00 0.00 179.24 177.74 1xs1 h ARG 67 N 0.52 0.01 0.00 3.56 3.08 -0.59 -3.35 114.38 117.62 1xs1 h ARG 67 Ca 0.11 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xs1 h ARG 67 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1xs1 h ARG 67 CO 0.01 0.70 -0.24 -0.39 -1.07 0.00 0.00 179.97 178.98 1xs1 h VAL 68 N -0.68 0.42 -3.47 2.04 -1.51 -1.02 -3.45 116.25 108.59 1xs1 h VAL 68 Ca -0.00 -1.52 -0.53 0.00 -1.23 0.00 0.00 66.70 63.41 1xs1 h VAL 68 Cb 0.71 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.99 1xs1 h VAL 68 CO 0.00 0.23 0.33 -0.04 -1.23 0.00 0.00 177.57 176.86 1xs1 s MET 69 N -3.15 4.60 0.96 5.19 -1.94 -0.74 -0.39 119.30 123.83 1xs1 s MET 69 Ca 0.05 1.36 -0.11 0.00 -1.71 0.00 0.00 55.69 55.28 1xs1 s MET 69 Cb 0.07 -3.42 0.17 0.00 2.01 0.00 0.00 34.83 33.66 1xs1 s MET 69 CO 0.70 0.09 1.09 -1.54 -0.01 0.00 0.00 175.02 175.35 1xs1 s SER 70 N 0.49 2.80 1.03 3.03 1.04 0.14 -4.90 113.70 117.34 1xs1 s SER 70 Ca 0.48 1.67 -0.12 0.00 0.48 0.00 0.00 55.95 58.46 1xs1 s SER 70 Cb -0.22 -2.31 0.21 0.00 0.10 0.00 0.00 66.02 63.80 1xs1 s SER 70 CO 0.28 -3.09 1.07 -1.81 0.98 0.00 0.00 173.24 170.67 1xs1 s ASP 71 N -3.04 2.19 0.13 7.02 1.01 -1.26 -4.74 116.67 117.98 1xs1 s ASP 71 Ca 0.65 1.54 -0.31 0.00 0.71 0.00 0.00 52.55 55.14 1xs1 s ASP 71 Cb -0.21 -2.22 -0.08 0.00 1.01 0.00 0.00 42.92 41.43 1xs1 s ASP 71 CO 0.59 -3.45 1.38 -0.70 0.21 0.00 0.00 175.17 173.20 1xs1 s GLU 72 N -4.71 4.33 -0.23 8.23 2.12 -1.26 -4.63 118.70 122.55 1xs1 s GLU 72 Ca 0.66 2.09 -0.18 0.00 0.36 0.00 0.00 54.97 57.90 1xs1 s GLU 72 Cb -0.22 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1xs1 s GLU 72 CO 0.60 -0.41 0.52 0.42 -0.54 0.00 0.00 175.26 175.85 1xs1 s ILE 73 N 0.91 5.09 -0.25 -3.70 1.01 0.14 -4.92 121.20 119.47 1xs1 s ILE 73 Ca 0.63 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 62.18 1xs1 s ILE 73 Cb -0.37 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1xs1 s ILE 73 CO 0.32 0.14 -0.02 -0.69 0.00 0.00 0.00 174.94 174.68 1xs1 s VAL 74 N 1.92 3.29 0.02 2.92 1.01 -1.26 -0.74 120.40 127.57 1xs1 s VAL 74 Ca 0.23 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1xs1 s VAL 74 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1xs1 s VAL 74 CO 0.09 0.24 1.13 -0.76 0.00 0.00 0.00 175.10 175.80 1xs1 s LEU 75 N 1.42 4.35 0.66 3.92 1.43 -1.02 -5.01 118.68 124.43 1xs1 s LEU 75 Ca 0.03 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.84 1xs1 s LEU 75 Cb -0.16 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1xs1 s LEU 75 CO -0.02 -0.43 1.12 -1.81 0.23 0.00 0.00 176.35 175.44 1xs1 s ASP 76 N 1.12 5.03 0.35 2.29 1.01 -1.26 -4.89 116.67 120.33 1xs1 s ASP 76 Ca 0.56 2.06 -0.28 0.00 0.71 0.00 0.00 52.55 55.60 1xs1 s ASP 76 Cb -0.26 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.00 1xs1 s ASP 76 CO 0.27 -1.68 1.31 1.21 0.21 0.00 0.00 175.17 176.49 1xs1 n GLU 77 N -2.38 2.17 -1.21 8.23 0.00 -1.26 -0.78 120.64 125.41 1xs1 n GLU 77 Ca 0.11 0.76 -0.07 0.00 0.00 0.00 0.00 57.16 57.96 1xs1 n GLU 77 Cb 0.52 -2.37 -0.03 0.00 0.00 0.00 0.00 31.44 29.55 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 0.73 0.87 3.64 8.31 0.00 -1.26 -4.99 105.19 112.50 1xs1 n GLY 78 Ca 0.04 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.26 2.39 0.14 1.61 2.12 0.04 -5.12 118.70 117.62 1xs1 s GLU 79 Ca 0.00 -0.90 0.07 0.00 0.36 0.00 0.00 54.97 54.50 1xs1 s GLU 79 Cb 0.00 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 1xs1 s GLU 79 CO 0.00 0.53 -0.03 0.00 -0.54 0.00 0.00 175.26 175.22 1xs1 s ALA 80 N -1.26 3.15 -0.27 6.30 0.00 -1.26 -4.58 121.76 123.84 1xs1 s ALA 80 Ca 0.24 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1xs1 s ALA 80 Cb -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1xs1 s ALA 80 CO 0.16 0.57 0.38 0.12 0.00 0.00 0.00 175.76 176.99 1xs1 s PHE 81 N -1.50 3.25 -0.32 0.00 5.36 0.13 -4.89 117.98 120.01 1xs1 s PHE 81 Ca 0.25 0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 56.45 1xs1 s PHE 81 Cb -0.10 -2.57 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1xs1 s PHE 81 CO 0.17 -0.23 0.56 0.71 -1.46 0.00 0.00 175.22 174.97 1xs1 s TYR 82 N 2.06 3.21 -0.49 10.12 1.51 -1.26 -0.32 117.35 132.18 1xs1 s TYR 82 Ca 0.15 0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 56.46 1xs1 s TYR 82 Cb -0.16 -2.92 0.07 0.00 -0.11 0.00 0.00 41.96 38.84 1xs1 s TYR 82 CO 0.10 -0.47 0.49 -1.17 -1.11 0.00 0.00 175.55 173.40 1xs1 s LEU 83 N 2.47 5.37 0.37 -1.29 2.96 0.69 -4.94 118.68 124.30 1xs1 s LEU 83 Ca 0.22 -1.17 -0.15 0.00 -0.22 0.00 0.00 54.13 52.81 1xs1 s LEU 83 Cb -0.15 -2.29 -0.09 0.00 0.50 0.00 0.00 46.19 44.16 1xs1 s LEU 83 CO 0.12 -0.76 0.79 -1.00 -1.32 0.00 0.00 176.35 174.18 1xs1 s HIS 84 N 2.05 3.39 0.14 5.38 3.76 -1.26 -1.15 115.29 127.60 1xs1 s HIS 84 Ca 0.09 1.26 -0.34 0.00 -0.15 0.00 0.00 55.06 55.91 1xs1 s HIS 84 Cb -0.22 -2.58 -0.16 0.00 1.11 0.00 0.00 32.58 30.73 1xs1 s HIS 84 CO 0.09 -0.00 1.20 -2.30 -0.85 0.00 0.00 174.74 172.87 1xs1 n PRO 85 N -0.66 1.11 -0.98 8.40 -0.02 -1.26 -1.93 135.00 139.65 1xs1 n PRO 85 Ca 0.04 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1xs1 n PRO 85 Cb 0.53 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.13 0.59 3.05 -1.23 0.00 -0.20 -5.00 105.19 104.53 1xs1 n GLY 86 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 1.96 0.30 1.61 0.41 -0.81 -4.97 118.70 116.99 1xs1 s GLU 87 Ca 0.00 -2.16 -0.30 0.00 -0.41 0.00 0.00 54.97 52.10 1xs1 s GLU 87 Cb 0.00 -3.45 -0.12 0.00 -1.78 0.00 0.00 34.13 28.79 1xs1 s GLU 87 CO 0.00 -1.06 1.56 -0.11 -0.49 0.00 0.00 175.26 175.16 1xs1 n LEU 88 N 3.94 4.28 -3.96 1.80 7.94 -1.26 -4.63 117.00 125.10 1xs1 n LEU 88 Ca 0.03 1.16 -0.09 0.00 -1.11 0.00 0.00 56.01 56.00 1xs1 n LEU 88 Cb 0.39 -1.58 -0.09 0.00 0.53 0.00 0.00 43.42 42.66 1xs1 n LEU 88 CO 0.30 0.08 -0.25 0.00 -1.11 0.00 0.00 177.39 176.42 1xs1 s ALA 89 N -0.16 0.06 -0.10 1.96 0.00 -0.78 -4.63 121.76 118.11 1xs1 s ALA 89 Ca 0.63 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 1xs1 s ALA 89 Cb -0.51 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1xs1 s ALA 89 CO 0.51 -0.34 0.11 -0.51 0.00 0.00 0.00 175.76 175.53 1xs1 s LEU 90 N -2.34 4.20 0.00 0.00 1.43 -0.21 -1.15 118.68 120.62 1xs1 s LEU 90 Ca -0.02 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1xs1 s LEU 90 Cb 0.01 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1xs1 s LEU 90 CO -0.06 0.39 0.00 0.00 0.23 0.00 0.00 176.35 176.90 1xs1 n ALA 91 N 1.90 0.00 -3.37 4.21 0.00 -0.26 -0.57 120.51 122.42 1xs1 n ALA 91 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1xs1 n ALA 91 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.12 0.02 0.52 0.00 0.11 -1.24 -1.00 120.40 116.69 1xs1 s VAL 92 Ca 0.00 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.66 1xs1 s VAL 92 Cb 0.00 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 34.03 1xs1 s VAL 92 CO 0.00 -0.10 1.13 0.42 -3.33 0.00 0.00 175.10 173.22 1xs1 s THR 93 N -0.79 3.19 0.22 5.04 -4.23 0.44 0.71 115.64 120.22 1xs1 s THR 93 Ca -0.09 0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 1xs1 s THR 93 Cb -0.03 -3.33 0.18 0.00 1.34 0.00 0.00 72.50 70.65 1xs1 s THR 93 CO 0.05 -0.13 1.88 0.25 -0.54 0.00 0.00 174.62 176.13 1xs1 h LEU 94 N 1.41 0.94 -9.71 4.79 5.85 -1.38 -3.40 115.31 113.81 1xs1 h LEU 94 Ca -0.50 -0.04 -0.54 0.00 0.84 0.00 0.00 57.88 57.64 1xs1 h LEU 94 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1xs1 h LEU 94 CO 0.58 0.70 0.12 -1.61 -0.34 0.00 0.00 178.44 177.88 1xs1 s GLU 95 N -6.08 4.46 -0.03 1.25 8.01 -1.26 -4.69 118.70 120.36 1xs1 s GLU 95 Ca -0.13 1.03 -0.15 0.00 0.01 0.00 0.00 54.97 55.73 1xs1 s GLU 95 Cb 0.16 -3.26 -0.05 0.00 -4.31 0.00 0.00 34.13 26.66 1xs1 s GLU 95 CO 0.79 0.57 0.40 0.45 0.01 0.00 0.00 175.26 177.49 1xs1 s SER 96 N -1.07 6.77 -0.06 -0.19 0.15 0.21 -3.95 113.70 115.56 1xs1 s SER 96 Ca 0.34 0.91 0.04 0.00 0.70 0.00 0.00 55.95 57.94 1xs1 s SER 96 Cb -0.22 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1xs1 s SER 96 CO 0.24 0.28 -0.19 -0.69 1.20 0.00 0.00 173.24 174.08 1xs1 s VAL 97 N -0.78 1.59 -0.18 4.45 1.01 0.74 -0.89 120.40 126.35 1xs1 s VAL 97 Ca 0.23 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1xs1 s VAL 97 Cb -0.16 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1xs1 s VAL 97 CO 0.12 0.45 -0.16 -0.89 0.00 0.00 0.00 175.10 174.63 1xs1 s THR 98 N 0.12 1.83 -0.09 3.92 2.01 0.21 -1.54 115.64 122.10 1xs1 s THR 98 Ca -0.07 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1xs1 s THR 98 Cb -0.13 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1xs1 s THR 98 CO 0.04 0.42 0.01 -0.76 -0.69 0.00 0.00 174.62 173.63 1xs1 s LEU 99 N 1.37 3.61 1.05 4.42 1.43 0.43 -1.40 118.68 129.59 1xs1 s LEU 99 Ca 0.03 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 1xs1 s LEU 99 Cb -0.14 -1.83 0.22 0.00 0.03 0.00 0.00 46.19 44.47 1xs1 s LEU 99 CO -0.11 0.38 1.17 -2.16 0.23 0.00 0.00 176.35 175.86 1xs1 s PRO 100 N -0.87 -0.02 0.00 1.29 0.04 -1.26 -1.89 135.00 132.29 1xs1 s PRO 100 Ca 0.13 -0.03 0.23 0.00 0.04 0.00 0.00 61.00 61.37 1xs1 s PRO 100 Cb -0.11 -1.73 1.10 0.00 0.04 0.00 0.00 34.50 33.80 1xs1 s PRO 100 CO 0.02 -2.92 1.74 0.00 0.04 0.00 0.00 177.00 175.88 1xs1 n ALA 101 N -4.21 2.13 -1.11 8.56 0.00 -1.26 -2.44 120.51 122.18 1xs1 n ALA 101 Ca 0.11 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1xs1 n ALA 101 Cb 0.59 -1.37 0.21 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.34 3.12 -3.97 0.00 5.75 -1.26 -0.51 116.55 118.34 1xs1 n ASP 102 Ca 0.09 -3.19 -0.16 0.00 -0.01 0.00 0.00 54.79 51.53 1xs1 n ASP 102 Cb 0.20 -0.52 -0.14 0.00 -1.03 0.00 0.00 41.12 39.63 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 -2.92 2.04 -0.03 -2.12 2.96 -1.16 -0.65 118.68 116.79 1xs1 s LEU 103 Ca 0.39 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 1xs1 s LEU 103 Cb 0.33 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.75 1xs1 s LEU 103 CO 0.05 0.04 -0.22 0.54 -1.32 0.00 0.00 176.35 175.44 1xs1 s VAL 104 N -0.26 1.75 0.13 1.68 0.11 -0.73 -2.51 120.40 120.57 1xs1 s VAL 104 Ca 0.01 -0.93 0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1xs1 s VAL 104 Cb -0.03 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1xs1 s VAL 104 CO -0.00 0.49 0.05 -0.83 -3.33 0.00 0.00 175.10 171.48 1xs1 s GLY 105 N -0.31 1.83 -0.06 6.54 0.00 0.22 -0.29 107.32 115.24 1xs1 s GLY 105 Ca 0.03 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1xs1 s GLY 105 CO 0.01 -1.19 -0.06 -0.98 0.00 0.00 0.00 173.10 170.88 1xs1 s TRP 106 N -1.55 0.98 -0.17 1.90 0.52 -0.00 -0.69 118.94 119.92 1xs1 s TRP 106 Ca 0.28 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.94 1xs1 s TRP 106 Cb -0.11 -0.84 -0.05 0.00 -1.15 0.00 0.00 33.47 31.32 1xs1 s TRP 106 CO 0.20 -0.27 0.23 -1.17 0.02 0.00 0.00 176.95 175.96 1xs1 s LEU 107 N 1.12 4.24 0.23 2.99 2.96 -0.52 -1.26 118.68 128.44 1xs1 s LEU 107 Ca -0.07 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1xs1 s LEU 107 Cb -0.14 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1xs1 s LEU 107 CO -0.01 0.14 0.06 -1.81 -1.32 0.00 0.00 176.35 173.41 1xs1 s ASP 108 N 0.35 4.92 0.00 3.68 1.01 0.19 -4.84 116.67 121.99 1xs1 s ASP 108 Ca 0.13 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.95 1xs1 s ASP 108 Cb -0.12 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1xs1 s ASP 108 CO 0.02 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1xs1 n GLY 109 N -0.71 1.28 2.90 0.21 0.00 -1.26 -1.08 105.19 106.52 1xs1 n GLY 109 Ca -0.08 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 2.04 0.06 0.42 1.61 0.52 -1.26 -3.62 118.95 118.71 1xs1 s ARG 110 Ca 0.00 -0.08 0.17 0.00 -0.52 0.00 0.00 55.73 55.30 1xs1 s ARG 110 Cb 0.00 0.02 1.07 0.00 0.52 0.00 0.00 34.95 36.56 1xs1 s ARG 110 CO 0.00 -0.01 1.87 1.03 0.02 0.00 0.00 175.30 178.21 1xs1 h SER 111 N 5.91 0.41 0.37 0.23 0.87 -1.99 0.23 113.55 119.58 1xs1 h SER 111 Ca -0.25 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.24 1xs1 h SER 111 Cb 1.21 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1xs1 h SER 111 CO 0.49 0.18 -0.45 0.28 -0.53 0.00 0.00 176.83 176.79 1xs1 h SER 112 N 0.42 0.12 0.36 6.23 0.02 -1.99 -1.45 113.55 117.26 1xs1 h SER 112 Ca 0.45 -0.05 -0.32 0.00 -0.84 0.00 0.00 61.79 61.03 1xs1 h SER 112 Cb 1.09 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1xs1 h SER 112 CO -0.17 0.56 -1.62 -0.07 -1.14 0.00 0.00 176.83 174.39 1xs1 h LEU 113 N 0.09 0.45 -1.18 5.07 3.38 -1.60 -3.31 115.31 118.21 1xs1 h LEU 113 Ca 0.00 -0.66 0.03 0.00 0.09 0.00 0.00 57.88 57.35 1xs1 h LEU 113 Cb 0.84 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1xs1 h LEU 113 CO 0.06 1.55 0.56 0.00 0.09 0.00 0.00 178.44 180.71 1xs1 h ALA 114 N 0.38 1.46 0.00 1.53 0.00 -0.37 -0.38 119.26 121.89 1xs1 h ALA 114 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xs1 h ALA 114 Cb 2.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xs1 h ALA 114 CO 0.16 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.41 1xs1 n ARG 115 N -4.44 0.89 -0.06 0.00 1.74 -0.56 -0.75 116.66 113.47 1xs1 n ARG 115 Ca 0.11 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.23 1xs1 n ARG 115 Cb 0.10 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.88 2.13 0.00 0.55 4.77 -0.80 -5.01 117.00 117.76 1xs1 n LEU 116 Ca 0.16 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 1xs1 n LEU 116 Cb 0.07 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xs1 n LEU 116 CO 0.12 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1xs1 n GLY 117 N 0.28 0.62 3.51 -0.72 0.00 0.07 -4.03 105.19 104.93 1xs1 n GLY 117 Ca 0.06 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 4.49 0.30 0.99 2.96 -0.22 -1.36 118.68 125.84 1xs1 s LEU 118 Ca 0.00 -0.37 -0.28 0.00 -0.22 0.00 0.00 54.13 53.26 1xs1 s LEU 118 Cb 0.00 -2.74 -0.09 0.00 0.50 0.00 0.00 46.19 43.86 1xs1 s LEU 118 CO 0.00 -0.85 1.00 -0.04 -1.32 0.00 0.00 176.35 175.14 1xs1 s MET 119 N 2.96 4.60 0.00 1.98 -1.94 -0.31 -4.19 119.30 122.40 1xs1 s MET 119 Ca 0.23 1.51 0.11 0.00 -1.71 0.00 0.00 55.69 55.84 1xs1 s MET 119 Cb -0.14 -2.98 -0.10 0.00 2.01 0.00 0.00 34.83 33.62 1xs1 s MET 119 CO 0.19 0.26 0.48 1.33 -0.01 0.00 0.00 175.02 177.27 1xs1 n VAL 120 N 0.85 0.00 -3.84 -6.03 0.24 -1.26 -2.70 118.33 105.59 1xs1 n VAL 120 Ca 0.01 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1xs1 n VAL 120 Cb 0.48 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.79 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 -1.94 0.07 -0.78 6.34 -3.43 -1.10 -1.91 115.29 112.53 1xs1 s HIS 121 Ca 0.05 -0.35 -0.04 0.00 -0.80 0.00 0.00 55.06 53.92 1xs1 s HIS 121 Cb 0.08 -0.02 0.20 0.00 -1.43 0.00 0.00 32.58 31.41 1xs1 s HIS 121 CO 0.42 -0.48 0.64 0.08 -2.00 0.00 0.00 174.74 173.40 1xs1 s VAL 122 N -3.02 4.25 -1.04 -5.38 1.01 -1.26 -4.78 120.40 110.18 1xs1 s VAL 122 Ca -0.02 -3.33 -0.11 0.00 0.00 0.00 0.00 61.98 58.53 1xs1 s VAL 122 Cb 0.01 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1xs1 s VAL 122 CO -0.06 -0.99 0.20 0.35 0.00 0.00 0.00 175.10 174.59 1xs1 n THR 123 N 3.00 -1.20 -3.11 3.92 -2.24 -1.26 -4.92 114.28 108.47 1xs1 n THR 123 Ca 0.15 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1xs1 n THR 123 Cb 0.38 -1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 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 -3.98 -1.99 -0.05 6.98 0.00 -1.26 -5.03 121.76 116.43 1xs1 s ALA 124 Ca 0.15 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1xs1 s ALA 124 Cb -0.08 -2.63 0.12 0.00 0.00 0.00 0.00 23.12 20.53 1xs1 s ALA 124 CO 0.73 -2.21 1.00 -2.39 0.00 0.00 0.00 175.76 172.88 1xs1 n HIS 125 N 3.96 0.00 -2.86 0.00 -0.00 -1.26 -4.95 115.22 110.11 1xs1 n HIS 125 Ca 0.13 -0.55 -0.41 0.00 -0.00 0.00 0.00 57.72 56.90 1xs1 n HIS 125 Cb 0.55 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.99 30.42 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 -1.45 4.53 -0.32 -1.40 3.52 -1.26 -1.43 118.95 121.14 1xs1 s ARG 126 Ca 0.13 1.20 -0.06 0.00 -0.13 0.00 0.00 55.73 56.87 1xs1 s ARG 126 Cb 0.11 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1xs1 s ARG 126 CO 0.01 0.09 0.07 0.42 -0.81 0.00 0.00 175.30 175.09 1xs1 s ILE 127 N 0.57 3.66 0.54 4.11 -1.09 0.13 -5.00 121.20 124.13 1xs1 s ILE 127 Ca 0.44 -1.06 -0.15 0.00 -2.23 0.00 0.00 60.65 57.65 1xs1 s ILE 127 Cb -0.20 -3.02 -0.07 0.00 -1.58 0.00 0.00 42.46 37.59 1xs1 s ILE 127 CO 0.24 -0.09 1.00 -1.81 -1.23 0.00 0.00 174.94 173.06 1xs1 s ASP 128 N 1.40 6.51 0.21 3.58 1.01 -1.26 -0.61 116.67 127.51 1xs1 s ASP 128 Ca -0.01 1.55 -0.32 0.00 0.71 0.00 0.00 52.55 54.47 1xs1 s ASP 128 Cb -0.19 -2.50 -0.13 0.00 1.01 0.00 0.00 42.92 41.11 1xs1 s ASP 128 CO 0.02 -0.67 1.60 -0.81 0.21 0.00 0.00 175.17 175.52 1xs1 n PRO 129 N -1.85 2.44 0.00 8.23 -0.04 -1.05 -1.07 135.00 141.66 1xs1 n PRO 129 Ca 0.07 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1xs1 n PRO 129 Cb 0.54 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 3.14 3.17 3.76 0.55 0.00 -0.79 0.02 105.19 115.04 1xs1 n GLY 130 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.85 2.40 -0.25 1.61 -0.11 -0.23 -3.45 118.94 116.05 1xs1 s TRP 131 Ca 0.00 1.28 -0.04 0.00 1.22 0.00 0.00 56.10 58.56 1xs1 s TRP 131 Cb 0.00 -3.91 0.14 0.00 -1.50 0.00 0.00 33.47 28.20 1xs1 s TRP 131 CO 0.00 -2.97 0.47 0.45 -4.62 0.00 0.00 176.95 170.28 1xs1 s SER 132 N -0.60 -0.41 0.00 5.86 0.15 -1.24 -0.43 113.70 117.04 1xs1 s SER 132 Ca 0.63 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1xs1 s SER 132 Cb -0.43 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1xs1 s SER 132 CO 0.55 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1xs1 n GLY 133 N 5.39 0.17 3.80 9.45 0.00 -0.59 -4.42 105.19 118.99 1xs1 n GLY 133 Ca -0.05 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.61 5.31 0.24 0.00 1.01 -1.25 -4.87 121.20 119.02 1xs1 s ILE 135 Ca 0.63 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1xs1 s ILE 135 Cb -0.17 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 1xs1 s ILE 135 CO 0.44 0.32 1.04 -0.69 0.00 0.00 0.00 174.94 176.04 1xs1 s VAL 136 N 1.11 3.82 0.02 2.92 1.01 -1.26 -0.42 120.40 127.60 1xs1 s VAL 136 Ca 0.11 1.76 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1xs1 s VAL 136 Cb -0.14 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1xs1 s VAL 136 CO 0.05 0.39 -0.17 -0.76 0.00 0.00 0.00 175.10 174.61 1xs1 s LEU 137 N -1.05 2.65 -0.36 3.92 1.43 -0.17 -4.92 118.68 120.17 1xs1 s LEU 137 Ca 0.44 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1xs1 s LEU 137 Cb -0.29 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.48 1xs1 s LEU 137 CO 0.36 0.27 0.10 -1.61 0.23 0.00 0.00 176.35 175.70 1xs1 s GLU 138 N -1.30 1.87 0.07 1.70 8.01 -0.80 -1.10 118.70 127.14 1xs1 s GLU 138 Ca 0.14 -1.74 -0.26 0.00 0.01 0.00 0.00 54.97 53.12 1xs1 s GLU 138 Cb -0.11 -3.34 -0.06 0.00 -4.31 0.00 0.00 34.13 26.32 1xs1 s GLU 138 CO 0.05 -0.93 0.82 -0.06 0.01 0.00 0.00 175.26 175.15 1xs1 s PHE 139 N 1.06 3.77 -0.07 1.61 2.99 -0.30 -2.72 117.98 124.32 1xs1 s PHE 139 Ca 0.06 1.57 -0.01 0.00 0.00 0.00 0.00 56.93 58.56 1xs1 s PHE 139 Cb -0.21 -2.88 0.03 0.00 0.00 0.00 0.00 43.02 39.96 1xs1 s PHE 139 CO -0.05 0.27 -0.02 -0.47 -0.00 0.00 0.00 175.22 174.95 1xs1 s TYR 140 N -0.11 0.77 -0.53 0.36 5.04 -1.10 -1.86 117.35 119.91 1xs1 s TYR 140 Ca 0.41 -0.23 -0.21 0.00 -2.44 0.00 0.00 57.07 54.59 1xs1 s TYR 140 Cb -0.21 -0.82 0.05 0.00 0.35 0.00 0.00 41.96 41.33 1xs1 s TYR 140 CO 0.25 -0.32 0.78 1.21 -1.34 0.00 0.00 175.55 176.13 1xs1 s ASN 141 N 1.73 6.27 0.00 4.32 3.84 -1.26 -1.16 114.94 128.69 1xs1 s ASN 141 Ca 0.02 -0.68 0.19 0.00 0.21 0.00 0.00 52.86 52.60 1xs1 s ASN 141 Cb -0.13 -2.36 0.52 0.00 -0.55 0.00 0.00 41.25 38.74 1xs1 s ASN 141 CO -0.05 -1.07 1.44 -1.54 -2.79 0.00 0.00 177.10 173.09 1xs1 n SER 142 N 6.81 3.01 -1.16 -4.21 3.41 -0.47 -1.04 113.62 119.97 1xs1 n SER 142 Ca -0.03 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1xs1 n SER 142 Cb 0.46 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.41 2.01 0.00 5.00 0.00 -1.26 -4.85 105.19 107.50 1xs1 n GLY 143 Ca 0.19 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.57 0.41 -4.54 1.61 5.02 -1.26 -4.73 118.16 114.10 1xs1 n LYS 144 Ca 0.00 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 1xs1 n LYS 144 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1xs1 n LYS 144 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xs1 s LEU 145 N -3.61 2.22 0.40 -0.35 1.02 -1.26 -4.91 118.68 112.19 1xs1 s LEU 145 Ca 0.01 -0.59 -0.27 0.00 0.02 0.00 0.00 54.13 53.30 1xs1 s LEU 145 Cb 0.15 -0.99 -0.09 0.00 0.02 0.00 0.00 46.19 45.28 1xs1 s LEU 145 CO 0.86 0.14 1.39 -2.84 0.02 0.00 0.00 176.35 175.91 1xs1 s PRO 146 N -1.46 3.96 -0.15 1.29 0.02 -1.26 -4.58 135.00 132.83 1xs1 s PRO 146 Ca 0.08 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.44 1xs1 s PRO 146 Cb -0.09 -2.82 -0.01 0.00 0.02 0.00 0.00 34.50 31.60 1xs1 s PRO 146 CO 0.03 -0.57 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.49 1xs1 s LEU 147 N -2.36 2.63 -0.15 -5.54 1.43 -0.30 -4.95 118.68 109.44 1xs1 s LEU 147 Ca 0.56 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1xs1 s LEU 147 Cb -0.42 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1xs1 s LEU 147 CO 0.55 0.12 0.67 0.00 0.23 0.00 0.00 176.35 177.92 1xs1 s ALA 148 N 0.64 3.47 -0.14 4.21 0.00 -1.26 -0.22 121.76 128.45 1xs1 s ALA 148 Ca -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1xs1 s ALA 148 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1xs1 s ALA 148 CO 0.03 -0.38 0.07 -0.51 0.00 0.00 0.00 175.76 174.96 1xs1 s LEU 149 N 1.49 3.90 -0.05 0.00 1.43 0.57 -4.91 118.68 121.12 1xs1 s LEU 149 Ca 0.33 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1xs1 s LEU 149 Cb -0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1xs1 s LEU 149 CO 0.13 0.29 -0.16 -0.13 0.23 0.00 0.00 176.35 176.71 1xs1 s ARG 150 N -0.30 1.75 0.14 1.70 0.52 -1.26 0.20 118.95 121.70 1xs1 s ARG 150 Ca 0.09 -0.55 -0.34 0.00 -0.52 0.00 0.00 55.73 54.41 1xs1 s ARG 150 Cb -0.12 -1.49 -0.16 0.00 0.52 0.00 0.00 34.95 33.69 1xs1 s ARG 150 CO 0.02 0.18 1.14 -2.30 0.02 0.00 0.00 175.30 174.35 1xs1 n PRO 151 N 3.34 0.98 0.00 3.54 -0.02 -1.26 -2.09 135.00 139.49 1xs1 n PRO 151 Ca -0.19 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1xs1 n PRO 151 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.04 3.35 3.76 -1.23 0.00 0.16 -4.96 105.19 108.31 1xs1 n GLY 152 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 3.21 -0.15 1.61 0.23 -0.89 -4.44 119.30 117.99 1xs1 s MET 153 Ca 0.00 1.78 -0.29 0.00 -1.03 0.00 0.00 55.69 56.15 1xs1 s MET 153 Cb 0.00 -2.04 -0.06 0.00 -1.53 0.00 0.00 34.83 31.20 1xs1 s MET 153 CO 0.00 -1.01 2.11 -0.51 -2.03 0.00 0.00 175.02 173.58 1xs1 s LEU 154 N -3.81 3.74 -0.00 0.18 1.43 -1.26 -0.54 118.68 118.42 1xs1 s LEU 154 Ca 0.74 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.95 1xs1 s LEU 154 Cb -0.29 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.36 1xs1 s LEU 154 CO 0.32 -1.67 0.09 0.00 0.23 0.00 0.00 176.35 175.32 1xs1 n ILE 155 N 7.07 0.00 -3.21 -0.59 0.13 -0.13 -4.92 119.36 117.71 1xs1 n ILE 155 Ca 0.26 -0.11 0.00 0.00 -1.10 0.00 0.00 62.75 61.81 1xs1 n ILE 155 Cb 0.44 0.45 0.00 0.00 -0.84 0.00 0.00 39.64 39.69 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 2.21 1.07 3.15 4.50 0.00 -1.13 -4.29 105.19 110.69 1xs1 n GLY 156 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.18 -0.06 4.61 0.00 -0.24 -1.57 121.76 123.33 1xs1 s ALA 157 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1xs1 s ALA 157 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1xs1 s ALA 157 CO 0.00 -0.35 -0.19 -0.51 0.00 0.00 0.00 175.76 174.71 1xs1 s LEU 158 N -2.17 2.45 0.28 0.00 1.43 -0.45 0.57 118.68 120.81 1xs1 s LEU 158 Ca -0.04 -0.34 0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1xs1 s LEU 158 Cb -0.01 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1xs1 s LEU 158 CO -0.05 0.29 -0.12 -0.94 0.23 0.00 0.00 176.35 175.76 1xs1 s SER 159 N -0.42 3.92 -0.04 2.29 1.04 -0.39 -0.76 113.70 119.34 1xs1 s SER 159 Ca 0.05 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.56 1xs1 s SER 159 Cb -0.12 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.54 1xs1 s SER 159 CO 0.02 -0.01 -0.05 -0.36 0.98 0.00 0.00 173.24 173.82 1xs1 s PHE 160 N -2.46 0.75 -0.19 5.02 0.40 -1.26 -0.82 117.98 119.41 1xs1 s PHE 160 Ca 0.31 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1xs1 s PHE 160 Cb -0.05 -0.66 0.04 0.00 0.51 0.00 0.00 43.02 42.87 1xs1 s PHE 160 CO 0.17 -0.18 -0.08 -2.00 0.70 0.00 0.00 175.22 173.82 1xs1 s GLU 161 N 0.85 1.81 0.65 0.44 2.12 0.60 -1.76 118.70 123.41 1xs1 s GLU 161 Ca -0.12 -0.77 -0.17 0.00 0.36 0.00 0.00 54.97 54.27 1xs1 s GLU 161 Cb -0.14 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 1xs1 s GLU 161 CO 0.00 -0.45 1.24 -2.14 -0.54 0.00 0.00 175.26 173.38 1xs1 s PRO 162 N 1.46 2.58 0.51 4.30 0.02 -1.26 -1.77 135.00 140.85 1xs1 s PRO 162 Ca -0.01 1.90 0.08 0.00 0.02 0.00 0.00 61.00 62.99 1xs1 s PRO 162 Cb -0.16 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.54 1xs1 s PRO 162 CO -0.08 -1.54 0.70 -0.51 -0.33 0.00 0.00 177.00 175.25 1xs1 s LEU 163 N -4.48 3.36 0.05 -5.54 1.43 0.17 -4.86 118.68 108.80 1xs1 s LEU 163 Ca 0.79 -0.59 0.16 0.00 -1.03 0.00 0.00 54.13 53.47 1xs1 s LEU 163 Cb -0.33 -2.18 0.70 0.00 0.03 0.00 0.00 46.19 44.41 1xs1 s LEU 163 CO 0.39 -1.10 1.52 -1.54 0.23 0.00 0.00 176.35 175.85 1xs1 n SER 164 N -2.10 0.13 0.00 2.29 3.41 -1.26 -4.91 113.62 111.18 1xs1 n SER 164 Ca 0.12 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1xs1 n SER 164 Cb 0.60 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1xs1 n SER 164 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 165 N 0.04 -0.94 3.74 5.00 0.00 -1.26 -5.13 105.19 106.63 1xs1 n GLY 165 Ca 0.03 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1xs1 n GLY 165 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xs1 s PRO 166 N -2.00 4.34 0.30 1.61 0.02 -1.26 -4.58 135.00 133.43 1xs1 s PRO 166 Ca 0.00 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 1xs1 s PRO 166 Cb 0.00 -3.17 -0.11 0.00 0.02 0.00 0.00 34.50 31.24 1xs1 s PRO 166 CO 0.00 -0.32 1.57 0.00 -0.33 0.00 0.00 177.00 177.92 1xs1 s ALA 167 N 0.14 3.72 0.02 -1.55 0.00 0.33 -4.91 121.76 119.51 1xs1 s ALA 167 Ca 0.58 1.55 -0.20 0.00 0.00 0.00 0.00 51.96 53.90 1xs1 s ALA 167 Cb -0.38 -3.64 -0.20 0.00 0.00 0.00 0.00 23.12 18.90 1xs1 s ALA 167 CO 0.39 -0.97 1.17 0.28 0.00 0.00 0.00 175.76 176.63 1xs1 h VAL 168 N 3.35 1.41 -3.05 0.00 2.07 -1.93 -3.37 116.25 114.72 1xs1 h VAL 168 Ca -0.47 -1.87 -0.71 0.00 0.82 0.00 0.00 66.70 64.47 1xs1 h VAL 168 Cb 1.22 2.36 -0.35 0.00 -1.52 0.00 0.00 31.29 33.01 1xs1 h VAL 168 CO 0.77 0.55 0.04 0.54 0.02 0.00 0.00 177.57 179.49 1xs1 n ARG 169 N -4.30 3.05 -1.42 1.57 1.74 -1.26 -5.05 116.66 110.99 1xs1 n ARG 169 Ca -0.09 -4.53 -0.29 0.00 -0.77 0.00 0.00 57.85 52.17 1xs1 n ARG 169 Cb 0.58 -2.41 0.17 0.00 -1.02 0.00 0.00 32.46 29.78 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 -1.86 0.52 0.15 5.56 0.04 -1.26 -4.81 135.00 133.34 1xs1 s PRO 170 Ca 0.31 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.39 1xs1 s PRO 170 Cb -0.01 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1xs1 s PRO 170 CO -0.06 -2.60 1.73 -0.92 0.04 0.00 0.00 177.00 175.19 1xs1 h TYR 171 N -1.79 0.65 0.00 0.56 3.20 -0.66 -2.32 116.97 116.63 1xs1 h TYR 171 Ca -0.50 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.33 1xs1 h TYR 171 Cb 1.32 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 1xs1 h TYR 171 CO -0.27 0.52 -0.04 -2.95 -1.64 0.00 0.00 178.16 173.78 1xs1 h ASN 172 N 0.59 0.00 0.53 -2.11 -1.07 -1.79 -3.13 115.58 108.60 1xs1 h ASN 172 Ca 0.16 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.31 1xs1 h ASN 172 Cb 0.12 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.33 1xs1 h ASN 172 CO -0.02 0.04 -1.63 0.54 0.07 0.00 0.00 177.43 176.43 1xs1 n ARG 173 N -3.25 0.63 -1.94 4.14 5.12 -0.89 -4.90 116.66 115.58 1xs1 n ARG 173 Ca -0.01 0.19 -0.43 0.00 -1.93 0.00 0.00 57.85 55.67 1xs1 n ARG 173 Cb 0.22 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.74 1xs1 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1xs1 s ARG 174 N -2.82 3.58 0.29 5.56 3.52 -1.12 -4.96 118.95 122.99 1xs1 s ARG 174 Ca -0.04 1.77 0.14 0.00 -0.13 0.00 0.00 55.73 57.47 1xs1 s ARG 174 Cb 0.08 -4.16 0.32 0.00 -1.56 0.00 0.00 34.95 29.63 1xs1 s ARG 174 CO 0.82 -1.56 1.56 1.05 -0.81 0.00 0.00 175.30 176.36 1xs1 h GLU 175 N 12.11 0.00 -0.46 5.12 4.11 -1.90 -3.00 114.58 130.55 1xs1 h GLU 175 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1xs1 h GLU 175 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xs1 h GLU 175 CO 0.99 0.55 0.00 -0.40 0.07 0.00 0.00 179.01 180.23 1xs1 n ASP 176 N -3.46 2.43 -4.77 3.06 5.75 -1.26 -4.87 116.55 113.43 1xs1 n ASP 176 Ca 0.00 -2.06 -0.39 0.00 -0.01 0.00 0.00 54.79 52.33 1xs1 n ASP 176 Cb 0.66 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 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 -1.49 3.28 -0.11 2.12 0.00 -1.14 -4.99 121.76 119.43 1xs1 s ALA 177 Ca 0.29 0.93 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 1xs1 s ALA 177 Cb 0.16 -3.35 -0.25 0.00 0.00 0.00 0.00 23.12 19.68 1xs1 s ALA 177 CO 0.18 -0.34 0.38 1.63 0.00 0.00 0.00 175.76 177.61 1xs1 n LYS 178 N 0.57 0.72 -0.90 0.00 5.02 -1.26 -4.60 118.16 117.71 1xs1 n LYS 178 Ca 0.02 0.25 -0.08 0.00 -2.02 0.00 0.00 58.31 56.48 1xs1 n LYS 178 Cb 0.46 -1.71 0.20 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.33 1.49 -2.15 2.13 4.02 -1.26 -4.93 117.16 113.13 1xs1 n TYR 179 Ca -0.29 -1.66 -0.40 0.00 -0.01 0.00 0.00 57.90 55.54 1xs1 n TYR 179 Cb 1.05 -0.59 -0.02 0.00 -0.02 0.00 0.00 39.34 39.77 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 -3.26 4.17 -0.34 -0.72 0.52 -1.26 -3.70 118.95 114.35 1xs1 s ARG 180 Ca 0.47 2.09 -0.01 0.00 -0.52 0.00 0.00 55.73 57.76 1xs1 s ARG 180 Cb 0.42 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 1xs1 s ARG 180 CO 0.02 -0.30 0.29 -1.71 0.02 0.00 0.00 175.30 173.62 1xs1 n ASN 181 N 0.43 -2.88 -4.42 0.23 2.85 -1.26 -5.04 115.26 105.16 1xs1 n ASN 181 Ca 0.02 -0.21 -0.39 0.00 -0.11 0.00 0.00 54.58 53.89 1xs1 n ASN 181 Cb 0.44 -1.95 -0.11 0.00 1.24 0.00 0.00 39.78 39.39 1xs1 n ASN 181 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1xs1 s GLN 182 N -3.82 3.21 -0.40 1.20 0.74 -1.24 -5.00 119.66 114.35 1xs1 s GLN 182 Ca 0.09 -0.81 0.07 0.00 0.05 0.00 0.00 55.36 54.76 1xs1 s GLN 182 Cb -0.01 -3.61 0.23 0.00 1.10 0.00 0.00 33.01 30.72 1xs1 s GLN 182 CO 0.23 -0.49 0.49 0.94 -0.55 0.00 0.00 175.29 175.90 1xs1 n GLN 183 N 4.99 0.59 -1.11 1.67 0.00 -1.26 -3.19 117.38 119.07 1xs1 n GLN 183 Ca -0.13 -3.18 0.00 0.00 -0.00 0.00 0.00 57.00 53.69 1xs1 n GLN 183 Cb 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.41 1xs1 n GLN 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xs1 n GLY 184 N 1.74 0.28 2.93 1.69 0.00 -1.26 -4.95 105.19 105.62 1xs1 n GLY 184 Ca 0.23 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.72 4.64 -1.97 4.61 0.00 -1.26 -4.78 120.51 121.03 1xs1 n ALA 185 Ca 0.00 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.33 1xs1 n ALA 185 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.85 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 4.04 2.81 0.51 0.00 1.01 -1.26 -4.82 120.40 122.70 1xs1 s VAL 186 Ca 0.51 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1xs1 s VAL 186 Cb 0.13 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1xs1 s VAL 186 CO -0.01 0.03 0.95 0.00 0.00 0.00 0.00 175.10 176.07 1xs1 s ALA 187 N 1.48 3.13 0.11 5.51 0.00 -1.26 -4.97 121.76 125.78 1xs1 s ALA 187 Ca 0.70 0.04 -0.32 0.00 0.00 0.00 0.00 51.96 52.38 1xs1 s ALA 187 Cb -0.42 -3.02 -0.18 0.00 0.00 0.00 0.00 23.12 19.50 1xs1 s ALA 187 CO 0.31 -0.28 0.74 0.45 0.00 0.00 0.00 175.76 176.98 1xs1 n SER 188 N -1.77 -0.72 -1.60 0.00 2.88 -1.26 -4.91 113.62 106.25 1xs1 n SER 188 Ca 0.06 1.12 -0.15 0.00 -1.33 0.00 0.00 58.87 58.57 1xs1 n SER 188 Cb 0.54 -0.92 0.10 0.00 -0.75 0.00 0.00 64.21 63.18 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 1.19 2.76 0.26 -1.46 1.74 -1.26 -4.77 116.66 115.12 1xs1 n ARG 189 Ca 0.19 -3.71 0.18 0.00 -0.77 0.00 0.00 57.85 53.73 1xs1 n ARG 189 Cb 0.18 -2.06 0.92 0.00 -1.02 0.00 0.00 32.46 30.48 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 1.59 0.30 0.00 0.55 6.09 -1.95 -1.96 117.51 122.12 1xs1 h ILE 190 Ca 0.29 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.78 1xs1 h ILE 190 Cb 1.38 0.86 0.00 0.00 0.47 0.00 0.00 36.82 39.53 1xs1 h ILE 190 CO 0.62 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.80 1xs1 n ASP 191 N -3.50 0.32 -0.68 2.19 5.75 -1.26 -2.59 116.55 116.78 1xs1 n ASP 191 Ca -0.00 -1.64 0.06 0.00 -0.01 0.00 0.00 54.79 53.20 1xs1 n ASP 191 Cb 0.26 -0.16 0.13 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.27 1.02 0.00 0.11 5.02 -0.74 -4.84 118.16 118.46 1xs1 n LYS 192 Ca 0.00 -2.64 0.15 0.00 -2.02 0.00 0.00 58.31 53.80 1xs1 n LYS 192 Cb 0.08 -1.13 0.90 0.00 -0.02 0.00 0.00 35.03 34.87 1xs1 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63