#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs4 s LEU 3 N 0.00 4.41 0.81 0.55 1.43 -0.52 -5.01 118.68 120.35 1xs4 s LEU 3 Ca 0.00 2.51 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 1xs4 s LEU 3 Cb 0.00 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.68 1xs4 s LEU 3 CO 0.00 -0.59 1.17 0.00 0.23 0.00 0.00 176.35 177.16 1xs4 h ASP 5 N -1.07 -0.46 -0.50 0.00 3.04 -1.21 0.24 116.42 116.46 1xs4 h ASP 5 Ca -0.46 0.11 0.04 0.00 -3.24 0.00 0.00 57.03 53.48 1xs4 h ASP 5 Cb 1.32 0.25 -0.04 0.00 -1.04 0.00 0.00 39.33 39.82 1xs4 h ASP 5 CO 0.65 -0.17 0.26 0.08 -2.04 0.00 0.00 179.24 178.02 1xs4 h ARG 6 N -0.10 0.49 -0.01 4.15 0.11 -1.93 -1.72 114.38 115.36 1xs4 h ARG 6 Ca 0.14 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 60.11 1xs4 h ARG 6 Cb 0.32 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1xs4 h ARG 6 CO -0.33 0.32 -0.38 -0.44 0.10 0.00 0.00 179.97 179.24 1xs4 h ASP 7 N 0.50 0.03 -0.19 0.08 3.32 -1.79 -0.04 116.42 118.32 1xs4 h ASP 7 Ca 0.22 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1xs4 h ASP 7 Cb 0.12 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xs4 h ASP 7 CO -0.15 0.40 0.11 0.40 -1.72 0.00 0.00 179.24 178.28 1xs4 h ILE 8 N 0.02 1.02 -0.57 0.35 2.04 0.25 -2.39 117.51 118.23 1xs4 h ILE 8 Ca -0.00 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1xs4 h ILE 8 Cb 0.68 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1xs4 h ILE 8 CO 0.05 0.04 0.25 -0.33 0.00 0.00 0.00 178.15 178.16 1xs4 h GLU 9 N 0.23 0.84 -0.99 2.37 5.08 -0.73 -1.64 114.58 119.74 1xs4 h GLU 9 Ca 0.08 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1xs4 h GLU 9 Cb -0.00 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.03 1xs4 h GLU 9 CO -0.04 0.71 0.64 0.00 -1.00 0.00 0.00 179.01 179.31 1xs4 h ALA 10 N 1.09 1.46 -0.27 3.43 0.00 -0.90 0.19 119.26 124.26 1xs4 h ALA 10 Ca 0.19 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1xs4 h ALA 10 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xs4 h ALA 10 CO -0.02 0.37 -0.45 -1.49 0.00 0.00 0.00 179.25 177.66 1xs4 h TRP 11 N 1.10 0.82 -0.51 0.00 4.06 -0.88 -1.16 115.95 119.39 1xs4 h TRP 11 Ca 0.44 -0.26 -0.08 0.00 2.06 0.00 0.00 58.89 61.06 1xs4 h TRP 11 Cb 0.26 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1xs4 h TRP 11 CO -0.00 1.00 0.01 -0.07 -3.56 0.00 0.00 178.44 175.83 1xs4 h LEU 12 N 0.55 0.82 -0.17 -4.49 3.38 -0.35 -1.64 115.31 113.41 1xs4 h LEU 12 Ca 0.04 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1xs4 h LEU 12 Cb 0.99 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xs4 h LEU 12 CO 0.09 0.87 -0.22 0.44 0.09 0.00 0.00 178.44 179.71 1xs4 h ASP 13 N 0.79 0.49 0.20 -0.43 3.32 -0.46 -2.97 116.42 117.35 1xs4 h ASP 13 Ca 0.15 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1xs4 h ASP 13 Cb 0.46 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xs4 h ASP 13 CO 0.02 0.90 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.26 1xs4 h GLU 14 N 0.09 0.00 0.00 3.56 4.81 -1.18 -3.47 114.58 118.38 1xs4 h GLU 14 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xs4 h GLU 14 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1xs4 h GLU 14 CO 0.05 0.09 0.00 0.41 -0.73 0.00 0.00 179.01 178.83 1xs4 n GLY 15 N -1.00 0.86 0.00 1.92 0.00 -0.62 -4.97 105.19 101.39 1xs4 n GLY 15 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xs4 n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xs4 h ARG 16 N 3.82 -0.01 -7.07 1.61 2.47 -1.85 -3.41 114.38 109.94 1xs4 h ARG 16 Ca 0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 1xs4 h ARG 16 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1xs4 h ARG 16 CO 0.00 -0.00 0.40 -1.17 0.56 0.00 0.00 179.97 179.75 1xs4 s LEU 17 N -4.71 3.84 -0.11 3.04 2.96 -1.24 -4.19 118.68 118.26 1xs4 s LEU 17 Ca -0.00 1.98 -0.08 0.00 -0.22 0.00 0.00 54.13 55.81 1xs4 s LEU 17 Cb 0.00 -4.55 0.04 0.00 0.50 0.00 0.00 46.19 42.18 1xs4 s LEU 17 CO 0.00 -0.85 0.27 -0.55 -1.32 0.00 0.00 176.35 173.90 1xs4 s SER 18 N -1.92 -0.30 -0.03 3.68 0.15 -0.77 -4.33 113.70 110.18 1xs4 s SER 18 Ca 0.68 0.57 0.01 0.00 0.70 0.00 0.00 55.95 57.91 1xs4 s SER 18 Cb -0.18 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1xs4 s SER 18 CO 0.21 -0.13 -0.03 -0.63 1.20 0.00 0.00 173.24 173.86 1xs4 s ILE 19 N 0.70 0.41 -0.10 6.45 1.01 -1.26 -0.88 121.20 127.53 1xs4 s ILE 19 Ca -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1xs4 s ILE 19 Cb -0.06 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1xs4 s ILE 19 CO -0.04 0.18 0.01 0.20 0.00 0.00 0.00 174.94 175.29 1xs4 s ASN 20 N 0.76 1.85 0.49 3.58 0.01 0.11 -2.24 114.94 119.51 1xs4 s ASN 20 Ca -0.09 -0.23 -0.21 0.00 -0.71 0.00 0.00 52.86 51.62 1xs4 s ASN 20 Cb -0.12 -0.47 -0.07 0.00 0.41 0.00 0.00 41.25 40.99 1xs4 s ASN 20 CO -0.00 -0.22 1.09 -2.16 -1.51 0.00 0.00 177.10 174.30 1xs4 s PRO 21 N 1.95 3.68 -0.08 -0.60 0.04 -1.26 -0.88 135.00 137.86 1xs4 s PRO 21 Ca 0.04 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1xs4 s PRO 21 Cb -0.13 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1xs4 s PRO 21 CO -0.06 -0.56 1.40 0.50 0.04 0.00 0.00 177.00 178.32 1xs4 s ARG 22 N -3.08 4.24 0.58 4.56 3.52 -0.95 -4.92 118.95 122.90 1xs4 s ARG 22 Ca 0.67 1.89 -0.19 0.00 -0.13 0.00 0.00 55.73 57.97 1xs4 s ARG 22 Cb -0.22 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1xs4 s ARG 22 CO 0.25 -0.68 1.19 -2.14 -0.81 0.00 0.00 175.30 173.11 1xs4 s PRO 23 N 3.20 3.06 1.27 5.12 0.02 -1.26 -5.00 135.00 141.41 1xs4 s PRO 23 Ca 0.62 1.78 -0.20 0.00 0.02 0.00 0.00 61.00 63.23 1xs4 s PRO 23 Cb -0.28 -1.95 0.31 0.00 0.02 0.00 0.00 34.50 32.60 1xs4 s PRO 23 CO 0.23 -1.12 1.04 -1.25 -0.33 0.00 0.00 177.00 175.56 1xs4 s PRO 24 N -3.31 -1.71 0.50 5.54 0.04 -1.26 -4.87 135.00 129.93 1xs4 s PRO 24 Ca 0.76 0.10 0.19 0.00 0.04 0.00 0.00 61.00 62.10 1xs4 s PRO 24 Cb -0.29 -1.52 1.27 0.00 0.04 0.00 0.00 34.50 34.00 1xs4 s PRO 24 CO 0.32 -4.07 2.08 0.28 0.04 0.00 0.00 177.00 175.65 1xs4 h VAL 25 N -2.84 0.91 0.00 -0.36 2.07 -1.94 -2.58 116.25 111.51 1xs4 h VAL 25 Ca -0.46 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1xs4 h VAL 25 Cb 1.32 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1xs4 h VAL 25 CO 0.35 0.10 0.00 1.05 0.02 0.00 0.00 177.57 179.09 1xs4 h GLU 26 N 0.00 0.00 -0.40 1.57 9.09 -2.03 -2.90 114.58 119.92 1xs4 h GLU 26 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xs4 h GLU 26 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1xs4 h GLU 26 CO 0.01 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.61 1xs4 n ARG 27 N -2.91 2.93 -3.95 1.06 5.12 -0.97 -4.85 116.66 113.09 1xs4 n ARG 27 Ca -0.00 -2.29 -0.30 0.00 -1.93 0.00 0.00 57.85 53.32 1xs4 n ARG 27 Cb 0.23 -1.43 -0.15 0.00 -1.16 0.00 0.00 32.46 29.94 1xs4 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs4 s ILE 28 N -1.33 1.61 0.03 0.55 1.01 -1.09 -1.52 121.20 120.45 1xs4 s ILE 28 Ca 0.31 -1.30 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 1xs4 s ILE 28 Cb 0.18 -1.87 0.06 0.00 0.01 0.00 0.00 42.46 40.84 1xs4 s ILE 28 CO 0.17 -0.12 0.57 0.54 0.00 0.00 0.00 174.94 176.10 1xs4 s ASN 29 N 1.35 -0.51 0.76 3.58 2.20 -0.56 -4.93 114.94 116.83 1xs4 s ASN 29 Ca -0.05 0.32 0.00 0.00 -0.94 0.00 0.00 52.86 52.19 1xs4 s ASN 29 Cb -0.19 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 1xs4 s ASN 29 CO -0.06 -0.70 0.00 0.61 -2.94 0.00 0.00 177.10 174.01 1xs4 n GLY 30 N 0.52 0.80 1.02 0.45 0.00 -1.26 -1.70 105.19 105.02 1xs4 n GLY 30 Ca -0.19 0.44 0.03 0.00 0.00 0.00 0.00 46.02 46.30 1xs4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs4 n ALA 31 N 6.99 2.29 -2.37 4.61 0.00 -1.26 -0.71 120.51 130.06 1xs4 n ALA 31 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 53.44 51.47 1xs4 n ALA 31 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 1xs4 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs4 s THR 32 N -0.28 0.17 -0.14 0.00 -4.23 -0.69 -4.40 115.64 106.08 1xs4 s THR 32 Ca 0.21 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1xs4 s THR 32 Cb 0.24 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.67 1xs4 s THR 32 CO -0.09 -0.79 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.34 1xs4 s VAL 33 N -3.87 2.56 0.39 2.29 1.01 -0.11 -1.50 120.40 121.18 1xs4 s VAL 33 Ca 0.06 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 1xs4 s VAL 33 Cb 0.06 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 1xs4 s VAL 33 CO -0.11 0.53 1.15 -1.81 0.00 0.00 0.00 175.10 174.86 1xs4 s ASP 34 N 0.63 6.60 0.22 3.32 1.01 -0.57 -0.10 116.67 127.78 1xs4 s ASP 34 Ca -0.09 2.30 0.10 0.00 0.71 0.00 0.00 52.55 55.57 1xs4 s ASP 34 Cb -0.16 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1xs4 s ASP 34 CO 0.03 -0.62 -0.19 0.68 0.21 0.00 0.00 175.17 175.28 1xs4 s VAL 35 N -1.43 2.13 0.31 -1.27 -7.23 0.13 -4.87 120.40 108.16 1xs4 s VAL 35 Ca 0.56 -2.16 0.09 0.00 -1.81 0.00 0.00 61.98 58.67 1xs4 s VAL 35 Cb -0.29 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1xs4 s VAL 35 CO 0.37 -0.36 0.00 -0.13 -0.31 0.00 0.00 175.10 174.68 1xs4 s ARG 36 N -3.17 2.15 -0.01 4.82 0.52 -1.26 -1.38 118.95 120.62 1xs4 s ARG 36 Ca 0.23 -1.61 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 1xs4 s ARG 36 Cb -0.05 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 1xs4 s ARG 36 CO 0.10 0.23 0.85 -1.17 0.02 0.00 0.00 175.30 175.33 1xs4 s LEU 37 N -3.70 4.37 0.00 2.53 2.96 -1.26 -1.42 118.68 122.15 1xs4 s LEU 37 Ca 0.34 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1xs4 s LEU 37 Cb -0.03 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.31 1xs4 s LEU 37 CO 0.20 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 1xs4 n GLY 38 N 2.87 -1.20 0.02 7.98 0.00 -0.27 -0.08 105.19 114.52 1xs4 n GLY 38 Ca 0.02 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.48 1xs4 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs4 n ASN 39 N -0.24 1.25 -4.47 1.61 6.94 -1.26 -4.15 115.26 114.95 1xs4 n ASN 39 Ca 0.00 -1.72 -0.32 0.00 -0.02 0.00 0.00 54.58 52.52 1xs4 n ASN 39 Cb 0.00 -0.03 -0.13 0.00 -2.36 0.00 0.00 39.78 37.26 1xs4 n ASN 39 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xs4 s LYS 40 N -0.73 2.36 0.08 -3.83 1.02 -1.26 -1.66 119.74 115.73 1xs4 s LYS 40 Ca 0.02 -0.80 -0.08 0.00 0.02 0.00 0.00 55.97 55.14 1xs4 s LYS 40 Cb 0.02 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1xs4 s LYS 40 CO 0.00 0.59 0.16 -0.06 -0.92 0.00 0.00 175.35 175.13 1xs4 s PHE 41 N -0.80 0.20 -0.06 3.18 0.40 -0.12 -3.71 117.98 117.07 1xs4 s PHE 41 Ca 0.13 -0.64 -0.04 0.00 -0.60 0.00 0.00 56.93 55.77 1xs4 s PHE 41 Cb -0.11 -0.10 0.02 0.00 0.51 0.00 0.00 43.02 43.35 1xs4 s PHE 41 CO 0.02 -0.53 0.14 1.03 0.70 0.00 0.00 175.22 176.59 1xs4 s ARG 42 N -3.87 0.14 0.52 0.44 0.52 -0.63 -0.74 118.95 115.33 1xs4 s ARG 42 Ca 0.05 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.55 1xs4 s ARG 42 Cb 0.05 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.52 1xs4 s ARG 42 CO -0.11 -0.07 0.14 0.95 0.02 0.00 0.00 175.30 176.24 1xs4 s THR 43 N 0.43 1.37 0.03 0.02 -4.23 -1.26 -0.79 115.64 111.21 1xs4 s THR 43 Ca -0.03 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1xs4 s THR 43 Cb -0.04 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1xs4 s THR 43 CO -0.02 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.60 1xs4 s PHE 44 N -2.83 2.77 -0.62 3.99 0.40 -1.26 -1.51 117.98 118.91 1xs4 s PHE 44 Ca 0.17 -0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1xs4 s PHE 44 Cb 0.00 -1.54 0.16 0.00 0.51 0.00 0.00 43.02 42.15 1xs4 s PHE 44 CO 0.10 0.34 0.41 1.03 0.70 0.00 0.00 175.22 177.80 1xs4 s ARG 45 N -1.53 2.15 0.48 0.44 0.52 0.14 -4.91 118.95 116.24 1xs4 s ARG 45 Ca 0.17 -2.99 0.26 0.00 -0.52 0.00 0.00 55.73 52.65 1xs4 s ARG 45 Cb -0.11 -3.18 1.21 0.00 0.52 0.00 0.00 34.95 33.40 1xs4 s ARG 45 CO 0.08 -1.24 1.96 0.78 0.02 0.00 0.00 175.30 176.90 1xs4 h GLY 46 N 5.77 0.00 2.00 -3.53 0.00 -1.92 -3.03 103.07 102.37 1xs4 h GLY 46 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1xs4 h GLY 46 CO 0.67 0.00 0.00 1.12 0.00 0.00 0.00 176.54 178.33 1xs4 h HIS 47 N 0.00 0.00 -0.02 5.60 2.07 -1.97 -2.84 115.15 117.99 1xs4 h HIS 47 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xs4 h HIS 47 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1xs4 h HIS 47 CO 0.00 0.00 -0.01 0.25 -3.07 0.00 0.00 177.93 175.10 1xs4 n THR 48 N -2.55 0.00 -3.71 6.12 -2.24 -1.14 -4.90 114.28 105.85 1xs4 n THR 48 Ca -0.00 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1xs4 n THR 48 Cb 0.14 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1xs4 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs4 s ALA 49 N -2.02 -0.75 -0.01 6.98 0.00 -1.07 -4.92 121.76 119.96 1xs4 s ALA 49 Ca 0.35 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 1xs4 s ALA 49 Cb 0.21 0.52 -0.28 0.00 0.00 0.00 0.00 23.12 23.56 1xs4 s ALA 49 CO 0.34 -0.54 0.82 0.00 0.00 0.00 0.00 175.76 176.38 1xs4 h ALA 50 N 2.72 0.24 -2.15 0.00 0.00 -1.91 -3.47 119.26 114.69 1xs4 h ALA 50 Ca -0.33 -1.11 0.22 0.00 0.00 0.00 0.00 54.91 53.69 1xs4 h ALA 50 Cb 1.22 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1xs4 h ALA 50 CO 0.48 1.11 0.63 -0.59 0.00 0.00 0.00 179.25 180.87 1xs4 s PHE 51 N -2.61 -0.04 -0.18 0.00 -0.12 -1.26 -5.13 117.98 108.63 1xs4 s PHE 51 Ca -0.10 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 1xs4 s PHE 51 Cb 0.06 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 43.10 1xs4 s PHE 51 CO 0.86 -0.68 -0.18 0.42 -0.05 0.00 0.00 175.22 175.59 1xs4 s ILE 52 N -2.68 2.25 -0.80 -4.49 1.01 -1.26 -5.05 121.20 110.18 1xs4 s ILE 52 Ca 0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1xs4 s ILE 52 Cb -0.00 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.58 1xs4 s ILE 52 CO 0.01 0.53 1.18 -0.62 0.00 0.00 0.00 174.94 176.04 1xs4 s ASP 53 N 1.25 6.30 0.43 3.58 -1.08 -1.26 -4.91 116.67 120.99 1xs4 s ASP 53 Ca 0.04 -1.09 0.12 0.00 -0.52 0.00 0.00 52.55 51.10 1xs4 s ASP 53 Cb -0.13 -2.49 0.97 0.00 -1.46 0.00 0.00 42.92 39.81 1xs4 s ASP 53 CO -0.10 -1.51 2.00 -0.07 0.52 0.00 0.00 175.17 176.01 1xs4 h LEU 54 N 11.98 0.40 -3.19 -1.34 3.38 -1.98 -2.26 115.31 122.30 1xs4 h LEU 54 Ca -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1xs4 h LEU 54 Cb 1.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1xs4 h LEU 54 CO 1.25 0.26 -0.02 -0.24 0.09 0.00 0.00 178.44 179.77 1xs4 n SER 55 N -4.47 3.23 -4.89 -0.43 2.88 -1.26 -4.79 113.62 103.88 1xs4 n SER 55 Ca 0.08 -3.15 -0.20 0.00 -1.33 0.00 0.00 58.87 54.27 1xs4 n SER 55 Cb 0.28 -0.52 0.06 0.00 -0.75 0.00 0.00 64.21 63.27 1xs4 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xs4 n GLY 56 N -0.87 2.05 3.62 0.46 0.00 -0.85 -5.01 105.19 104.59 1xs4 n GLY 56 Ca 0.21 -2.23 -0.46 0.00 0.00 0.00 0.00 46.02 43.54 1xs4 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs4 n PRO 57 N -2.20 1.60 -0.33 1.61 -0.02 -1.26 -4.75 135.00 129.65 1xs4 n PRO 57 Ca 0.14 0.57 0.06 0.00 -2.02 0.00 0.00 63.50 62.25 1xs4 n PRO 57 Cb 0.60 -2.09 0.25 0.00 -0.02 0.00 0.00 33.50 32.24 1xs4 n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xs4 h LYS 58 N 3.15 0.95 -0.14 -0.52 3.64 -1.95 -2.44 116.57 119.27 1xs4 h LYS 58 Ca -0.43 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1xs4 h LYS 58 Cb 1.31 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1xs4 h LYS 58 CO 0.68 0.63 0.04 0.38 -2.27 0.00 0.00 179.45 178.91 1xs4 h ASP 59 N 0.98 0.21 0.28 4.20 2.03 -1.94 -2.20 116.42 119.99 1xs4 h ASP 59 Ca 0.45 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1xs4 h ASP 59 Cb 0.40 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.82 1xs4 h ASP 59 CO -0.21 0.37 -0.36 -0.33 -1.03 0.00 0.00 179.24 177.68 1xs4 h GLU 60 N 0.03 -0.67 -0.41 4.15 3.07 -1.82 -2.55 114.58 116.38 1xs4 h GLU 60 Ca 0.04 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.03 1xs4 h GLU 60 Cb 0.24 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 28.23 1xs4 h GLU 60 CO -0.00 -0.45 -0.06 0.28 -1.40 0.00 0.00 179.01 177.38 1xs4 h VAL 61 N -0.70 0.62 -0.35 3.13 2.07 -1.45 -1.38 116.25 118.19 1xs4 h VAL 61 Ca -0.01 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1xs4 h VAL 61 Cb 0.66 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xs4 h VAL 61 CO -0.11 0.01 0.00 0.28 0.02 0.00 0.00 177.57 177.76 1xs4 h SER 62 N 0.04 0.61 -0.48 0.57 0.02 -1.41 -1.39 113.55 111.51 1xs4 h SER 62 Ca 0.20 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1xs4 h SER 62 Cb 0.30 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1xs4 h SER 62 CO -0.39 0.77 0.29 0.00 -1.14 0.00 0.00 176.83 176.35 1xs4 h ALA 63 N 0.86 0.61 -0.45 3.77 0.00 -1.30 -0.30 119.26 122.46 1xs4 h ALA 63 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xs4 h ALA 63 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xs4 h ALA 63 CO 0.02 -0.01 0.24 0.00 0.00 0.00 0.00 179.25 179.49 1xs4 h ALA 64 N 1.21 0.58 -0.84 0.00 0.00 -1.19 -2.58 119.26 116.43 1xs4 h ALA 64 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xs4 h ALA 64 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1xs4 h ALA 64 CO -0.08 0.11 0.53 -0.07 0.00 0.00 0.00 179.25 179.74 1xs4 h LEU 65 N 0.59 0.99 -1.36 0.00 3.38 -0.62 -1.60 115.31 116.68 1xs4 h LEU 65 Ca 0.16 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xs4 h LEU 65 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xs4 h LEU 65 CO -0.02 0.74 -0.21 0.44 0.09 0.00 0.00 178.44 179.48 1xs4 h ASP 66 N 1.15 0.15 0.29 -0.43 3.32 -0.92 -3.07 116.42 116.92 1xs4 h ASP 66 Ca 0.31 -0.04 -0.31 0.00 0.02 0.00 0.00 57.03 57.01 1xs4 h ASP 66 Cb -0.09 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 39.45 1xs4 h ASP 66 CO -0.06 0.37 -1.33 0.03 -1.72 0.00 0.00 179.24 176.53 1xs4 h ARG 67 N 0.15 0.51 -3.32 3.56 3.08 -1.05 -3.46 114.38 113.85 1xs4 h ARG 67 Ca 0.03 -0.78 -0.66 0.00 0.07 0.00 0.00 59.98 58.63 1xs4 h ARG 67 Cb 0.46 0.28 0.01 0.00 0.08 0.00 0.00 29.97 30.80 1xs4 h ARG 67 CO 0.03 1.36 3.58 1.33 -1.07 0.00 0.00 179.97 185.20 1xs4 n VAL 68 N -3.71 3.94 -4.39 2.04 0.24 -0.64 -4.72 118.33 111.09 1xs4 n VAL 68 Ca -0.14 -2.61 -0.20 0.00 -2.04 0.00 0.00 64.34 59.36 1xs4 n VAL 68 Cb 1.04 -2.58 -0.10 0.00 -1.47 0.00 0.00 33.84 30.72 1xs4 n VAL 68 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1xs4 s SER 70 N 2.57 2.40 0.34 -1.34 1.04 -0.57 0.25 113.70 118.39 1xs4 s SER 70 Ca 0.62 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 1xs4 s SER 70 Cb 0.16 -0.10 -0.12 0.00 0.10 0.00 0.00 66.02 66.06 1xs4 s SER 70 CO -0.06 -0.41 1.31 0.47 0.98 0.00 0.00 173.24 175.53 1xs4 n ASP 71 N -0.52 2.86 -4.68 7.02 8.00 -1.26 -4.80 116.55 123.17 1xs4 n ASP 71 Ca -0.05 1.21 -0.43 0.00 0.71 0.00 0.00 54.79 56.22 1xs4 n ASP 71 Cb 0.64 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.23 1xs4 n ASP 71 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1xs4 n GLU 72 N 0.62 2.03 -3.78 -1.24 2.13 -1.26 -4.80 120.64 114.34 1xs4 n GLU 72 Ca 0.05 0.71 -0.36 0.00 0.66 0.00 0.00 57.16 58.22 1xs4 n GLU 72 Cb 0.36 -2.29 -0.12 0.00 0.27 0.00 0.00 31.44 29.66 1xs4 n GLU 72 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xs4 s ILE 73 N -0.85 4.60 -0.23 6.31 1.01 0.08 -4.94 121.20 127.18 1xs4 s ILE 73 Ca 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 1xs4 s ILE 73 Cb -0.60 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1xs4 s ILE 73 CO 0.59 0.35 -0.07 -0.69 0.00 0.00 0.00 174.94 175.12 1xs4 s VAL 74 N 1.38 2.98 -0.22 2.92 1.01 -1.26 -0.94 120.40 126.27 1xs4 s VAL 74 Ca 0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1xs4 s VAL 74 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1xs4 s VAL 74 CO 0.05 0.30 0.63 -0.76 0.00 0.00 0.00 175.10 175.32 1xs4 s LEU 75 N 1.38 4.11 0.00 3.92 1.43 -0.66 -5.05 118.68 123.80 1xs4 s LEU 75 Ca 0.03 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1xs4 s LEU 75 Cb -0.15 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1xs4 s LEU 75 CO -0.05 -0.32 0.00 0.47 0.23 0.00 0.00 176.35 176.69 1xs4 n ASP 76 N 5.33 0.00 -4.68 2.29 8.00 -1.26 -4.90 116.55 121.34 1xs4 n ASP 76 Ca -0.01 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 1xs4 n ASP 76 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1xs4 n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xs4 s GLU 77 N 0.00 4.35 -0.92 -1.24 2.12 -1.26 -3.79 118.70 117.96 1xs4 s GLU 77 Ca 0.00 1.39 -0.09 0.00 0.36 0.00 0.00 54.97 56.63 1xs4 s GLU 77 Cb 0.00 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1xs4 s GLU 77 CO 0.00 -0.46 0.16 0.41 -0.54 0.00 0.00 175.26 174.84 1xs4 n GLY 78 N 3.20 -0.25 3.90 -1.50 0.00 -1.26 -4.98 105.19 104.31 1xs4 n GLY 78 Ca 0.10 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1xs4 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs4 s GLU 79 N -6.14 3.55 0.14 1.61 2.02 -1.25 -5.12 118.70 113.52 1xs4 s GLU 79 Ca 0.12 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 54.97 1xs4 s GLU 79 Cb -0.07 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1xs4 s GLU 79 CO 0.64 0.54 -0.00 0.00 0.02 0.00 0.00 175.26 176.46 1xs4 s ALA 80 N -1.56 3.23 -0.23 5.21 0.00 -1.26 -4.54 121.76 122.61 1xs4 s ALA 80 Ca 0.37 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 1xs4 s ALA 80 Cb -0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1xs4 s ALA 80 CO 0.25 0.57 0.08 0.12 0.00 0.00 0.00 175.76 176.78 1xs4 s PHE 81 N -1.55 3.15 -0.47 0.00 5.36 -0.07 -4.93 117.98 119.47 1xs4 s PHE 81 Ca 0.27 -0.18 -0.19 0.00 -0.96 0.00 0.00 56.93 55.87 1xs4 s PHE 81 Cb -0.10 -2.20 0.04 0.00 -0.34 0.00 0.00 43.02 40.42 1xs4 s PHE 81 CO 0.18 -0.15 0.56 0.71 -1.46 0.00 0.00 175.22 175.06 1xs4 s TYR 82 N 1.19 3.10 -0.52 10.12 1.51 -1.26 -0.89 117.35 130.59 1xs4 s TYR 82 Ca 0.05 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 1xs4 s TYR 82 Cb -0.14 -3.30 0.04 0.00 -0.11 0.00 0.00 41.96 38.45 1xs4 s TYR 82 CO 0.04 -0.90 0.85 -1.17 -1.11 0.00 0.00 175.55 173.26 1xs4 s LEU 83 N 2.48 4.29 0.25 -1.29 2.96 -0.57 -4.92 118.68 121.87 1xs4 s LEU 83 Ca 0.15 -0.40 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 1xs4 s LEU 83 Cb -0.18 -2.79 -0.08 0.00 0.50 0.00 0.00 46.19 43.64 1xs4 s LEU 83 CO 0.13 -1.10 0.66 -1.00 -1.32 0.00 0.00 176.35 173.72 1xs4 s HIS 84 N 3.58 3.49 0.15 5.38 3.76 -1.26 -1.24 115.29 129.14 1xs4 s HIS 84 Ca 0.28 1.16 -0.33 0.00 -0.15 0.00 0.00 55.06 56.02 1xs4 s HIS 84 Cb -0.14 -2.47 -0.17 0.00 1.11 0.00 0.00 32.58 30.92 1xs4 s HIS 84 CO 0.19 0.25 0.96 -2.30 -0.85 0.00 0.00 174.74 172.98 1xs4 n PRO 85 N 0.14 0.61 -1.04 8.40 -0.02 -1.26 -1.83 135.00 140.01 1xs4 n PRO 85 Ca -0.00 0.22 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1xs4 n PRO 85 Cb 0.52 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.42 1xs4 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs4 n GLY 86 N 1.84 0.49 3.30 -1.23 0.00 -0.18 -5.00 105.19 104.41 1xs4 n GLY 86 Ca 0.16 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1xs4 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs4 s GLU 87 N -0.98 3.31 -0.01 1.61 0.41 -0.76 -4.99 118.70 117.28 1xs4 s GLU 87 Ca 0.00 -0.69 -0.18 0.00 -0.41 0.00 0.00 54.97 53.69 1xs4 s GLU 87 Cb 0.00 -2.76 -0.05 0.00 -1.78 0.00 0.00 34.13 29.53 1xs4 s GLU 87 CO 0.00 -0.02 0.51 -1.17 -0.49 0.00 0.00 175.26 174.09 1xs4 s LEU 88 N 0.96 4.43 0.05 1.80 2.96 -1.26 -3.76 118.68 123.85 1xs4 s LEU 88 Ca -0.02 1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1xs4 s LEU 88 Cb -0.15 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 1xs4 s LEU 88 CO -0.01 0.18 0.03 0.00 -1.32 0.00 0.00 176.35 175.23 1xs4 s ALA 89 N -0.45 0.21 -0.01 5.97 0.00 -0.90 -4.64 121.76 121.94 1xs4 s ALA 89 Ca 0.27 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1xs4 s ALA 89 Cb -0.17 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1xs4 s ALA 89 CO 0.15 -0.35 0.09 -0.51 0.00 0.00 0.00 175.76 175.14 1xs4 s LEU 90 N -2.55 3.95 0.00 0.00 1.43 0.03 -0.81 118.68 120.74 1xs4 s LEU 90 Ca 0.01 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1xs4 s LEU 90 Cb 0.03 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1xs4 s LEU 90 CO -0.08 0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.79 1xs4 n ALA 91 N 1.25 0.00 -2.67 4.21 0.00 0.07 -1.60 120.51 121.76 1xs4 n ALA 91 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1xs4 n ALA 91 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1xs4 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs4 s VAL 92 N -2.09 0.13 0.53 0.00 0.11 -1.24 -0.90 120.40 116.94 1xs4 s VAL 92 Ca 0.00 -1.08 -0.17 0.00 -2.93 0.00 0.00 61.98 57.80 1xs4 s VAL 92 Cb 0.00 -1.15 -0.07 0.00 -1.53 0.00 0.00 36.38 33.64 1xs4 s VAL 92 CO 0.00 -0.59 1.02 0.42 -3.33 0.00 0.00 175.10 172.61 1xs4 s THR 93 N -3.27 4.14 0.11 5.04 -4.23 0.10 -1.11 115.64 116.41 1xs4 s THR 93 Ca 0.00 1.09 -0.15 0.00 -1.18 0.00 0.00 61.69 61.46 1xs4 s THR 93 Cb 0.02 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 1xs4 s THR 93 CO -0.08 -0.53 1.46 0.25 -0.54 0.00 0.00 174.62 175.18 1xs4 h LEU 94 N 0.91 0.73 -9.56 4.79 5.85 -1.45 -3.38 115.31 113.20 1xs4 h LEU 94 Ca -0.47 -0.43 -0.52 0.00 0.84 0.00 0.00 57.88 57.29 1xs4 h LEU 94 Cb 1.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1xs4 h LEU 94 CO 0.60 1.01 0.42 -1.61 -0.34 0.00 0.00 178.44 178.52 1xs4 s GLU 95 N -4.52 4.61 0.17 1.25 8.01 -1.26 -4.75 118.70 122.21 1xs4 s GLU 95 Ca -0.12 1.57 -0.28 0.00 0.01 0.00 0.00 54.97 56.14 1xs4 s GLU 95 Cb 0.09 -3.36 -0.08 0.00 -4.31 0.00 0.00 34.13 26.48 1xs4 s GLU 95 CO 0.82 0.07 0.89 0.45 0.01 0.00 0.00 175.26 177.49 1xs4 s SER 96 N 0.27 7.50 -0.01 -0.19 0.15 -0.06 -4.21 113.70 117.16 1xs4 s SER 96 Ca 0.50 1.79 0.08 0.00 0.70 0.00 0.00 55.95 59.02 1xs4 s SER 96 Cb -0.26 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.47 1xs4 s SER 96 CO 0.31 0.11 -0.26 -0.69 1.20 0.00 0.00 173.24 173.91 1xs4 s VAL 97 N -0.78 2.05 -0.11 4.45 1.01 -0.61 -0.71 120.40 125.69 1xs4 s VAL 97 Ca 0.41 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1xs4 s VAL 97 Cb -0.24 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1xs4 s VAL 97 CO 0.29 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.97 1xs4 s THR 98 N -0.64 0.99 0.02 3.92 2.01 -0.06 -1.05 115.64 120.83 1xs4 s THR 98 Ca 0.10 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1xs4 s THR 98 Cb -0.10 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1xs4 s THR 98 CO -0.00 0.35 0.05 -0.76 -0.69 0.00 0.00 174.62 173.56 1xs4 s LEU 99 N 1.72 3.74 1.02 4.42 1.43 0.04 -1.85 118.68 129.20 1xs4 s LEU 99 Ca 0.05 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1xs4 s LEU 99 Cb -0.13 -2.23 0.23 0.00 0.03 0.00 0.00 46.19 44.09 1xs4 s LEU 99 CO -0.08 0.25 1.32 -2.16 0.23 0.00 0.00 176.35 175.91 1xs4 s PRO 100 N -1.84 0.13 0.38 1.29 0.04 -1.26 -1.85 135.00 131.89 1xs4 s PRO 100 Ca 0.23 -0.46 0.28 0.00 0.04 0.00 0.00 61.00 61.08 1xs4 s PRO 100 Cb -0.12 -1.79 1.01 0.00 0.04 0.00 0.00 34.50 33.64 1xs4 s PRO 100 CO 0.15 -2.75 1.81 0.00 0.04 0.00 0.00 177.00 176.25 1xs4 h ALA 101 N -1.88 1.00 -0.55 8.56 0.00 -1.92 -2.65 119.26 121.82 1xs4 h ALA 101 Ca -0.44 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 1xs4 h ALA 101 Cb 1.23 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1xs4 h ALA 101 CO 0.32 0.00 0.16 -0.40 0.00 0.00 0.00 179.25 179.33 1xs4 n ASP 102 N -2.67 3.82 -3.78 0.00 5.75 -1.26 -1.06 116.55 117.34 1xs4 n ASP 102 Ca 0.02 -3.38 -0.13 0.00 -0.01 0.00 0.00 54.79 51.30 1xs4 n ASP 102 Cb 0.33 -0.68 -0.12 0.00 -1.03 0.00 0.00 41.12 39.61 1xs4 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs4 s LEU 103 N -3.07 0.97 0.05 -2.12 2.96 -1.20 -0.86 118.68 115.41 1xs4 s LEU 103 Ca 0.49 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.95 1xs4 s LEU 103 Cb 0.41 0.72 -0.03 0.00 0.50 0.00 0.00 46.19 47.80 1xs4 s LEU 103 CO 0.08 -0.10 -0.26 0.54 -1.32 0.00 0.00 176.35 175.29 1xs4 s VAL 104 N 0.44 2.15 0.24 1.68 0.11 -0.62 -2.92 120.40 121.48 1xs4 s VAL 104 Ca -0.03 -1.42 0.10 0.00 -2.93 0.00 0.00 61.98 57.71 1xs4 s VAL 104 Cb -0.04 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1xs4 s VAL 104 CO -0.02 0.34 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.14 1xs4 s GLY 105 N -1.31 1.75 -0.03 6.54 0.00 0.22 -0.65 107.32 113.84 1xs4 s GLY 105 Ca 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1xs4 s GLY 105 CO 0.02 -1.73 -0.00 -0.98 0.00 0.00 0.00 173.10 170.41 1xs4 s TRP 106 N -2.12 0.39 -0.21 1.90 0.52 -0.28 -0.84 118.94 118.30 1xs4 s TRP 106 Ca 0.28 -0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.20 1xs4 s TRP 106 Cb -0.07 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 1xs4 s TRP 106 CO 0.16 -0.15 0.44 -1.17 0.02 0.00 0.00 176.95 176.25 1xs4 s LEU 107 N 1.09 4.14 0.23 2.99 2.96 -0.05 -1.71 118.68 128.32 1xs4 s LEU 107 Ca -0.09 0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 1xs4 s LEU 107 Cb -0.14 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1xs4 s LEU 107 CO -0.02 -0.13 0.23 -1.81 -1.32 0.00 0.00 176.35 173.30 1xs4 s ASP 108 N 1.16 5.73 0.00 3.68 1.01 0.23 -4.84 116.67 123.63 1xs4 s ASP 108 Ca 0.20 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.32 1xs4 s ASP 108 Cb -0.15 -1.53 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1xs4 s ASP 108 CO 0.09 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1xs4 n GLY 109 N -1.10 1.26 2.91 0.21 0.00 -1.26 -1.64 105.19 105.56 1xs4 n GLY 109 Ca -0.08 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1xs4 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs4 s ARG 110 N 1.79 0.12 0.38 1.61 0.52 -1.26 -3.96 118.95 118.14 1xs4 s ARG 110 Ca 0.00 -0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 1xs4 s ARG 110 Cb 0.00 0.04 0.76 0.00 0.52 0.00 0.00 34.95 36.27 1xs4 s ARG 110 CO 0.00 -0.02 2.04 1.03 0.02 0.00 0.00 175.30 178.37 1xs4 h SER 111 N 5.59 0.59 0.32 0.23 0.87 -1.98 0.06 113.55 119.22 1xs4 h SER 111 Ca -0.27 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1xs4 h SER 111 Cb 1.21 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1xs4 h SER 111 CO 0.47 0.43 -0.25 0.28 -0.53 0.00 0.00 176.83 177.23 1xs4 h SER 112 N 0.70 0.00 0.17 6.23 0.02 -1.99 -1.95 113.55 116.72 1xs4 h SER 112 Ca 0.19 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.78 1xs4 h SER 112 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1xs4 h SER 112 CO -0.04 0.25 -1.84 -0.07 -1.14 0.00 0.00 176.83 173.98 1xs4 h LEU 113 N 0.00 0.55 -1.24 5.07 3.38 -1.67 -3.34 115.31 118.06 1xs4 h LEU 113 Ca -0.00 -0.95 0.14 0.00 0.09 0.00 0.00 57.88 57.16 1xs4 h LEU 113 Cb 0.48 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1xs4 h LEU 113 CO 0.03 1.82 0.58 0.00 0.09 0.00 0.00 178.44 180.96 1xs4 h ALA 114 N 0.10 1.77 0.00 1.53 0.00 -0.83 -0.63 119.26 121.19 1xs4 h ALA 114 Ca -0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xs4 h ALA 114 Cb 2.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1xs4 h ALA 114 CO 0.15 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.93 1xs4 n ARG 115 N -4.57 0.25 -0.13 0.00 1.74 -0.75 -1.23 116.66 111.97 1xs4 n ARG 115 Ca 0.17 0.09 0.04 0.00 -0.77 0.00 0.00 57.85 57.38 1xs4 n ARG 115 Cb 0.44 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.49 1xs4 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs4 n LEU 116 N -1.33 2.61 0.00 0.55 4.77 -0.34 -5.01 117.00 118.25 1xs4 n LEU 116 Ca 0.09 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1xs4 n LEU 116 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xs4 n LEU 116 CO 0.18 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1xs4 n GLY 117 N -0.20 0.64 3.94 -0.72 0.00 -0.36 -4.10 105.19 104.39 1xs4 n GLY 117 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1xs4 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs4 s LEU 118 N 0.00 2.77 0.00 0.99 2.96 -0.65 -0.85 118.68 123.89 1xs4 s LEU 118 Ca 0.00 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1xs4 s LEU 118 Cb 0.00 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1xs4 s LEU 118 CO 0.00 -2.64 0.00 1.33 -1.32 0.00 0.00 176.35 173.72 1xs4 n VAL 120 N -3.64 0.00 -3.98 1.68 0.24 -1.26 -4.02 118.33 107.35 1xs4 n VAL 120 Ca 0.16 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.36 1xs4 n VAL 120 Cb 0.60 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 1xs4 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs4 s HIS 121 N 0.00 0.38 -0.53 6.34 -3.43 -1.15 -3.32 115.29 113.59 1xs4 s HIS 121 Ca 0.00 -0.73 0.04 0.00 -0.80 0.00 0.00 55.06 53.57 1xs4 s HIS 121 Cb 0.00 0.10 0.16 0.00 -1.43 0.00 0.00 32.58 31.41 1xs4 s HIS 121 CO 0.00 -0.90 0.36 0.08 -2.00 0.00 0.00 174.74 172.28 1xs4 s VAL 122 N -4.00 1.71 -0.85 -5.38 1.01 -1.26 -4.82 120.40 106.81 1xs4 s VAL 122 Ca 0.21 -3.24 -0.03 0.00 0.00 0.00 0.00 61.98 58.93 1xs4 s VAL 122 Cb 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1xs4 s VAL 122 CO 0.06 -1.02 0.05 0.35 0.00 0.00 0.00 175.10 174.54 1xs4 n THR 123 N 2.77 -0.68 -3.26 3.92 -2.24 -1.26 -4.94 114.28 108.59 1xs4 n THR 123 Ca 0.18 -0.29 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1xs4 n THR 123 Cb 0.38 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 1xs4 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs4 s ALA 124 N -3.83 -1.57 -0.00 6.98 0.00 -1.26 -5.04 121.76 117.03 1xs4 s ALA 124 Ca 0.04 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1xs4 s ALA 124 Cb -0.02 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1xs4 s ALA 124 CO 0.56 -1.64 0.83 -2.39 0.00 0.00 0.00 175.76 173.12 1xs4 n HIS 125 N 5.38 0.00 -3.32 0.00 -0.00 -1.26 -4.85 115.22 111.16 1xs4 n HIS 125 Ca 0.01 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.72 57.33 1xs4 n HIS 125 Cb 0.51 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.40 1xs4 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs4 s ARG 126 N -0.05 4.30 -0.32 -1.40 3.52 -1.26 -0.87 118.95 122.86 1xs4 s ARG 126 Ca 0.00 0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.92 1xs4 s ARG 126 Cb 0.00 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1xs4 s ARG 126 CO 0.00 0.10 0.15 0.42 -0.81 0.00 0.00 175.30 175.16 1xs4 s ILE 127 N 0.83 4.41 0.61 4.11 -1.09 -0.02 -4.99 121.20 125.06 1xs4 s ILE 127 Ca 0.25 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 57.90 1xs4 s ILE 127 Cb -0.15 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1xs4 s ILE 127 CO 0.10 -0.02 1.04 -1.81 -1.23 0.00 0.00 174.94 173.02 1xs4 s ASP 128 N 1.56 5.84 0.25 3.58 1.01 -1.26 -0.61 116.67 127.05 1xs4 s ASP 128 Ca 0.03 1.69 -0.31 0.00 0.71 0.00 0.00 52.55 54.67 1xs4 s ASP 128 Cb -0.18 -2.51 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 1xs4 s ASP 128 CO 0.05 -1.13 1.63 -0.81 0.21 0.00 0.00 175.17 175.12 1xs4 n PRO 129 N -2.32 2.64 -0.16 8.23 -0.04 -1.15 -1.47 135.00 140.73 1xs4 n PRO 129 Ca 0.08 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1xs4 n PRO 129 Cb 0.53 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1xs4 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs4 n GLY 130 N 2.88 1.53 3.74 0.55 0.00 -0.77 -0.86 105.19 112.26 1xs4 n GLY 130 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1xs4 n GLY 130 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xs4 n TRP 131 N -2.00 2.51 -3.42 1.61 -0.00 -0.54 -3.14 117.44 112.46 1xs4 n TRP 131 Ca 0.00 0.46 -0.09 0.00 -0.00 0.00 0.00 57.50 57.87 1xs4 n TRP 131 Cb 0.00 -2.43 -0.08 0.00 -0.00 0.00 0.00 31.31 28.79 1xs4 n TRP 131 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xs4 s SER 132 N -0.47 0.15 0.00 5.87 0.15 -1.26 -0.78 113.70 117.37 1xs4 s SER 132 Ca 0.60 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1xs4 s SER 132 Cb -0.47 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1xs4 s SER 132 CO 0.58 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1xs4 n GLY 133 N 5.37 1.62 3.78 9.45 0.00 -0.22 -3.88 105.19 121.30 1xs4 n GLY 133 Ca -0.05 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1xs4 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs4 s ILE 135 N -2.06 5.31 -0.04 0.00 1.01 -1.26 -4.73 121.20 119.43 1xs4 s ILE 135 Ca 0.69 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.35 1xs4 s ILE 135 Cb -0.22 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1xs4 s ILE 135 CO 0.33 0.30 1.02 -0.69 0.00 0.00 0.00 174.94 175.91 1xs4 s VAL 136 N 1.26 4.72 -0.17 2.92 1.01 -1.26 -0.72 120.40 128.16 1xs4 s VAL 136 Ca 0.10 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.97 1xs4 s VAL 136 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1xs4 s VAL 136 CO 0.06 0.09 0.09 -0.76 0.00 0.00 0.00 175.10 174.58 1xs4 s LEU 137 N 1.48 4.03 -0.48 3.92 1.43 -0.08 -4.94 118.68 124.04 1xs4 s LEU 137 Ca 0.51 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 1xs4 s LEU 137 Cb -0.21 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 44.11 1xs4 s LEU 137 CO 0.24 0.24 0.38 0.00 0.23 0.00 0.00 176.35 177.43 1xs4 s ALA 138 N 0.01 3.47 0.08 4.21 0.00 -1.21 -0.75 121.76 127.57 1xs4 s ALA 138 Ca 0.08 -2.39 -0.20 0.00 0.00 0.00 0.00 51.96 49.45 1xs4 s ALA 138 Cb -0.12 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 1xs4 s ALA 138 CO 0.00 -1.86 0.59 -0.06 0.00 0.00 0.00 175.76 174.44 1xs4 s PHE 139 N 1.49 3.81 -0.05 0.00 2.99 0.01 -2.92 117.98 123.32 1xs4 s PHE 139 Ca 0.04 1.31 -0.02 0.00 0.00 0.00 0.00 56.93 58.26 1xs4 s PHE 139 Cb -0.26 -2.53 0.04 0.00 0.00 0.00 0.00 43.02 40.26 1xs4 s PHE 139 CO 0.02 0.57 0.09 -0.47 -0.00 0.00 0.00 175.22 175.43 1xs4 s TYR 140 N -1.07 -0.07 -0.51 0.36 5.04 -1.26 -2.13 117.35 117.72 1xs4 s TYR 140 Ca 0.30 0.33 -0.20 0.00 -2.44 0.00 0.00 57.07 55.06 1xs4 s TYR 140 Cb -0.20 -0.19 0.05 0.00 0.35 0.00 0.00 41.96 41.98 1xs4 s TYR 140 CO 0.20 -0.14 0.67 1.21 -1.34 0.00 0.00 175.55 176.14 1xs4 s ASN 141 N 1.28 6.25 0.00 4.32 3.84 -1.25 -4.39 114.94 124.98 1xs4 s ASN 141 Ca -0.07 -0.79 0.26 0.00 0.21 0.00 0.00 52.86 52.46 1xs4 s ASN 141 Cb -0.12 -2.31 0.58 0.00 -0.55 0.00 0.00 41.25 38.84 1xs4 s ASN 141 CO -0.05 -0.93 1.46 -1.54 -2.79 0.00 0.00 177.10 173.25 1xs4 n SER 142 N 6.36 1.61 -2.09 -4.21 3.41 -0.03 -1.01 113.62 117.65 1xs4 n SER 142 Ca -0.05 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1xs4 n SER 142 Cb 0.46 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1xs4 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs4 n GLY 143 N 1.32 -0.11 0.00 5.00 0.00 -1.25 -4.93 105.19 105.22 1xs4 n GLY 143 Ca 0.13 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.46 1xs4 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs4 n LYS 144 N -0.41 1.20 -4.76 1.61 4.76 -1.26 -4.70 118.16 114.60 1xs4 n LYS 144 Ca 0.00 -0.08 -0.32 0.00 -2.87 0.00 0.00 58.31 55.04 1xs4 n LYS 144 Cb 0.00 -1.30 -0.13 0.00 -1.84 0.00 0.00 35.03 31.77 1xs4 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs4 s LEU 145 N -3.44 2.75 0.50 -0.35 1.02 -1.26 -4.89 118.68 113.01 1xs4 s LEU 145 Ca -0.00 -0.26 -0.24 0.00 0.02 0.00 0.00 54.13 53.65 1xs4 s LEU 145 Cb 0.11 -1.58 -0.07 0.00 0.02 0.00 0.00 46.19 44.67 1xs4 s LEU 145 CO 0.63 0.31 1.41 -2.84 0.02 0.00 0.00 176.35 175.88 1xs4 s PRO 146 N -1.06 3.41 -0.11 1.29 0.02 -1.26 -4.50 135.00 132.79 1xs4 s PRO 146 Ca 0.13 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.55 1xs4 s PRO 146 Cb -0.11 -2.47 0.01 0.00 0.02 0.00 0.00 34.50 31.95 1xs4 s PRO 146 CO 0.03 -1.02 -0.20 -0.51 -0.33 0.00 0.00 177.00 174.97 1xs4 s LEU 147 N -3.11 1.95 -0.25 -5.54 1.43 -0.38 -4.97 118.68 107.82 1xs4 s LEU 147 Ca 0.66 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 53.03 1xs4 s LEU 147 Cb -0.43 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1xs4 s LEU 147 CO 0.53 0.09 0.77 0.00 0.23 0.00 0.00 176.35 177.98 1xs4 s ALA 148 N 0.65 3.63 -0.21 4.21 0.00 -1.26 -1.51 121.76 127.27 1xs4 s ALA 148 Ca -0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1xs4 s ALA 148 Cb -0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1xs4 s ALA 148 CO 0.03 -0.91 0.07 -0.51 0.00 0.00 0.00 175.76 174.44 1xs4 s LEU 149 N 2.75 3.65 -0.04 0.00 1.43 -0.07 -4.94 118.68 121.46 1xs4 s LEU 149 Ca 0.32 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 1xs4 s LEU 149 Cb -0.15 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1xs4 s LEU 149 CO 0.08 0.08 -0.19 -0.13 0.23 0.00 0.00 176.35 176.42 1xs4 s ARG 150 N 0.93 2.37 0.22 1.70 0.52 -1.26 -0.90 118.95 122.54 1xs4 s ARG 150 Ca 0.04 -0.80 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 1xs4 s ARG 150 Cb -0.14 -2.24 -0.15 0.00 0.52 0.00 0.00 34.95 32.94 1xs4 s ARG 150 CO 0.03 0.58 1.15 -2.30 0.02 0.00 0.00 175.30 174.78 1xs4 n PRO 151 N 2.42 1.38 -0.06 3.54 -0.02 -1.26 -4.79 135.00 136.21 1xs4 n PRO 151 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1xs4 n PRO 151 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1xs4 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs4 n GLY 152 N 1.76 0.78 3.40 -1.23 0.00 0.89 -4.95 105.19 105.83 1xs4 n GLY 152 Ca 0.13 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1xs4 n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xs4 s LEU 154 N -0.08 3.24 -0.01 0.99 1.43 -1.26 -4.53 118.68 118.47 1xs4 s LEU 154 Ca 0.00 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1xs4 s LEU 154 Cb 0.00 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1xs4 s LEU 154 CO 0.00 -0.02 0.03 0.00 0.23 0.00 0.00 176.35 176.59 1xs4 n ILE 155 N 4.81 0.03 -3.20 -0.59 0.13 -0.48 -4.90 119.36 115.16 1xs4 n ILE 155 Ca -0.17 -0.05 0.00 0.00 -1.10 0.00 0.00 62.75 61.43 1xs4 n ILE 155 Cb 0.51 0.15 0.00 0.00 -0.84 0.00 0.00 39.64 39.46 1xs4 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs4 n GLY 156 N 2.50 1.25 3.19 4.50 0.00 -1.10 -4.35 105.19 111.18 1xs4 n GLY 156 Ca -0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1xs4 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs4 s ALA 157 N -1.00 -0.58 -0.05 4.61 0.00 -0.66 -0.70 121.76 123.39 1xs4 s ALA 157 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1xs4 s ALA 157 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1xs4 s ALA 157 CO 0.00 -0.27 -0.17 -0.51 0.00 0.00 0.00 175.76 174.81 1xs4 s LEU 158 N -1.50 2.59 0.30 0.00 1.43 0.86 -0.60 118.68 121.75 1xs4 s LEU 158 Ca -0.12 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1xs4 s LEU 158 Cb -0.05 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.60 1xs4 s LEU 158 CO 0.02 0.33 -0.15 -0.94 0.23 0.00 0.00 176.35 175.83 1xs4 s SER 159 N -0.65 3.56 -0.01 2.29 1.04 -0.70 -0.93 113.70 118.31 1xs4 s SER 159 Ca 0.10 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.45 1xs4 s SER 159 Cb -0.11 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.71 1xs4 s SER 159 CO 0.01 -0.07 -0.05 -0.36 0.98 0.00 0.00 173.24 173.75 1xs4 s PHE 160 N -2.59 0.44 -0.15 5.02 0.40 -1.26 -1.13 117.98 118.71 1xs4 s PHE 160 Ca 0.30 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1xs4 s PHE 160 Cb -0.02 -0.30 0.05 0.00 0.51 0.00 0.00 43.02 43.26 1xs4 s PHE 160 CO 0.15 -0.02 0.01 -2.00 0.70 0.00 0.00 175.22 174.07 1xs4 s GLU 161 N -0.06 0.76 0.46 0.44 2.12 0.17 -1.43 118.70 121.16 1xs4 s GLU 161 Ca 0.01 -0.26 -0.24 0.00 0.36 0.00 0.00 54.97 54.84 1xs4 s GLU 161 Cb -0.03 -1.72 -0.08 0.00 0.26 0.00 0.00 34.13 32.56 1xs4 s GLU 161 CO -0.00 -0.50 1.25 -2.30 -0.54 0.00 0.00 175.26 173.17 1xs4 n PRO 162 N 5.06 1.78 -2.77 4.30 -0.02 -1.26 -1.58 135.00 140.50 1xs4 n PRO 162 Ca -0.09 0.64 -0.24 0.00 -2.02 0.00 0.00 63.50 61.80 1xs4 n PRO 162 Cb 0.48 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1xs4 n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs4 s LEU 163 N -2.01 3.47 0.47 2.45 1.43 -0.04 -4.86 118.68 119.58 1xs4 s LEU 163 Ca 0.64 0.34 0.15 0.00 -1.03 0.00 0.00 54.13 54.23 1xs4 s LEU 163 Cb -0.48 -3.20 1.09 0.00 0.03 0.00 0.00 46.19 43.63 1xs4 s LEU 163 CO 0.55 -0.88 2.05 0.77 0.23 0.00 0.00 176.35 179.07 1xs4 h SER 164 N 0.19 0.01 -2.35 2.29 4.64 -1.95 -3.45 113.55 112.93 1xs4 h SER 164 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1xs4 h SER 164 Cb 1.26 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1xs4 h SER 164 CO 0.57 0.12 0.24 0.61 -0.87 0.00 0.00 176.83 177.50 1xs4 n GLY 165 N -1.21 1.18 3.73 -0.77 0.00 -1.26 -5.14 105.19 101.72 1xs4 n GLY 165 Ca -0.03 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1xs4 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xs4 s PRO 166 N -2.06 4.46 0.25 1.61 0.04 -1.26 -4.62 135.00 133.41 1xs4 s PRO 166 Ca 0.12 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1xs4 s PRO 166 Cb -0.03 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 1xs4 s PRO 166 CO 0.08 -0.17 1.39 0.00 0.04 0.00 0.00 177.00 178.35 1xs4 s ALA 167 N 0.35 3.59 0.18 8.56 0.00 -0.23 -4.92 121.76 129.29 1xs4 s ALA 167 Ca 0.55 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.83 1xs4 s ALA 167 Cb -0.32 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.29 1xs4 s ALA 167 CO 0.34 -0.68 1.40 0.28 0.00 0.00 0.00 175.76 177.10 1xs4 h VAL 168 N 3.53 1.53 -2.22 0.00 2.07 -1.93 -3.35 116.25 115.87 1xs4 h VAL 168 Ca -0.46 -2.68 -0.60 0.00 0.82 0.00 0.00 66.70 63.78 1xs4 h VAL 168 Cb 1.22 2.48 -0.42 0.00 -1.52 0.00 0.00 31.29 33.05 1xs4 h VAL 168 CO 0.76 0.77 -0.61 0.54 0.02 0.00 0.00 177.57 179.06 1xs4 n ARG 169 N -3.63 2.76 -1.36 1.57 1.74 -1.26 -5.04 116.66 111.44 1xs4 n ARG 169 Ca -0.02 -4.74 -0.29 0.00 -0.77 0.00 0.00 57.85 52.03 1xs4 n ARG 169 Cb 0.80 -2.25 0.16 0.00 -1.02 0.00 0.00 32.46 30.14 1xs4 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs4 s PRO 170 N -2.79 0.66 0.31 5.56 0.04 -1.26 -4.72 135.00 132.80 1xs4 s PRO 170 Ca 0.43 0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1xs4 s PRO 170 Cb 0.19 -1.78 0.52 0.00 0.04 0.00 0.00 34.50 33.47 1xs4 s PRO 170 CO -0.05 -2.54 1.83 -0.92 0.04 0.00 0.00 177.00 175.36 1xs4 h TYR 171 N -1.75 0.60 0.00 0.56 3.20 -1.23 -2.45 116.97 115.90 1xs4 h TYR 171 Ca -0.52 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.24 1xs4 h TYR 171 Cb 1.33 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1xs4 h TYR 171 CO 0.13 0.61 -0.16 -2.95 -1.64 0.00 0.00 178.16 174.15 1xs4 h ASN 172 N 0.54 0.00 0.00 -2.11 -1.07 -1.79 -3.24 115.58 107.91 1xs4 h ASN 172 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 1xs4 h ASN 172 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1xs4 h ASN 172 CO 0.02 0.16 -1.95 0.54 0.07 0.00 0.00 177.43 176.26 1xs4 n ARG 173 N -3.40 0.63 -2.29 4.14 1.74 -1.03 -4.98 116.66 111.48 1xs4 n ARG 173 Ca -0.00 -0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 1xs4 n ARG 173 Cb 0.35 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1xs4 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs4 s ARG 174 N -3.48 4.37 0.16 5.56 3.52 -0.95 -4.94 118.95 123.18 1xs4 s ARG 174 Ca -0.07 1.93 0.01 0.00 -0.13 0.00 0.00 55.73 57.47 1xs4 s ARG 174 Cb 0.14 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1xs4 s ARG 174 CO 0.89 -0.37 1.36 1.05 -0.81 0.00 0.00 175.30 177.42 1xs4 h GLU 175 N 6.87 0.24 -0.65 5.12 4.11 -1.93 -3.21 114.58 125.13 1xs4 h GLU 175 Ca -0.42 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 58.75 1xs4 h GLU 175 Cb 1.21 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1xs4 h GLU 175 CO 0.84 0.99 0.00 -0.40 0.07 0.00 0.00 179.01 180.51 1xs4 n ASP 176 N -3.67 4.02 -4.74 3.06 5.75 -1.26 -4.95 116.55 114.75 1xs4 n ASP 176 Ca -0.04 -2.24 -0.41 0.00 -0.01 0.00 0.00 54.79 52.08 1xs4 n ASP 176 Cb 0.82 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 1xs4 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs4 s ALA 177 N -1.54 3.57 -0.11 2.12 0.00 -1.21 -4.96 121.76 119.63 1xs4 s ALA 177 Ca 0.45 1.18 0.17 0.00 0.00 0.00 0.00 51.96 53.76 1xs4 s ALA 177 Cb 0.27 -3.52 -0.19 0.00 0.00 0.00 0.00 23.12 19.69 1xs4 s ALA 177 CO 0.25 -0.61 0.65 1.63 0.00 0.00 0.00 175.76 177.68 1xs4 n LYS 178 N 2.78 0.64 -1.06 0.00 5.02 -1.26 -4.56 118.16 119.72 1xs4 n LYS 178 Ca 0.07 0.17 0.02 0.00 -2.02 0.00 0.00 58.31 56.56 1xs4 n LYS 178 Cb 0.42 -1.74 0.14 0.00 -0.02 0.00 0.00 35.03 33.83 1xs4 n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xs4 n TYR 179 N -2.85 0.31 -2.16 2.13 4.02 -1.26 -5.03 117.16 112.31 1xs4 n TYR 179 Ca -0.14 -1.33 -0.38 0.00 -0.01 0.00 0.00 57.90 56.03 1xs4 n TYR 179 Cb 0.91 -0.23 -0.01 0.00 -0.02 0.00 0.00 39.34 39.99 1xs4 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs4 s ARG 180 N -2.45 3.82 -0.84 -0.72 0.52 -1.26 -3.84 118.95 114.18 1xs4 s ARG 180 Ca 0.38 1.94 -0.01 0.00 -0.52 0.00 0.00 55.73 57.51 1xs4 s ARG 180 Cb 0.38 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1xs4 s ARG 180 CO -0.08 -0.55 0.70 0.09 0.02 0.00 0.00 175.30 175.48 1xs4 n ASN 181 N -0.24 -2.56 -4.57 0.23 3.02 -1.25 -4.97 115.26 104.91 1xs4 n ASN 181 Ca 0.06 -0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 53.79 1xs4 n ASN 181 Cb 0.46 -3.64 -0.08 0.00 -0.61 0.00 0.00 39.78 35.91 1xs4 n ASN 181 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xs4 s GLN 182 N -5.10 3.76 0.00 3.52 0.74 -1.25 -4.89 119.66 116.44 1xs4 s GLN 182 Ca 0.07 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.41 1xs4 s GLN 182 Cb -0.03 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.32 1xs4 s GLN 182 CO 0.50 -0.51 0.22 1.04 -0.55 0.00 0.00 175.29 175.98 1xs4 n GLN 183 N 5.59 0.91 0.00 1.67 6.02 -1.26 -1.34 117.38 128.97 1xs4 n GLN 183 Ca -0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 1xs4 n GLN 183 Cb 0.49 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.10 1xs4 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs4 n GLY 184 N 0.19 5.29 3.55 1.08 0.00 -1.26 -4.99 105.19 109.05 1xs4 n GLY 184 Ca 0.00 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1xs4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs4 n ALA 185 N -3.00 3.63 -2.14 4.61 0.00 -1.26 -4.77 120.51 117.57 1xs4 n ALA 185 Ca 0.00 -3.91 -0.41 0.00 0.00 0.00 0.00 53.44 49.12 1xs4 n ALA 185 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 19.45 15.88 1xs4 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs4 s VAL 186 N 3.83 4.11 0.88 0.00 1.01 -1.26 -4.78 120.40 124.18 1xs4 s VAL 186 Ca 0.52 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 64.16 1xs4 s VAL 186 Cb 0.03 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.40 1xs4 s VAL 186 CO 0.07 0.29 1.18 0.00 0.00 0.00 0.00 175.10 176.64 1xs4 s ALA 187 N -0.12 2.23 0.37 5.51 0.00 -1.26 -4.99 121.76 123.51 1xs4 s ALA 187 Ca 0.49 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 1xs4 s ALA 187 Cb -0.27 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 1xs4 s ALA 187 CO 0.33 -2.06 1.46 0.45 0.00 0.00 0.00 175.76 175.94 1xs4 s SER 188 N -4.42 6.38 -0.24 0.00 0.15 -1.26 -4.93 113.70 109.38 1xs4 s SER 188 Ca 0.65 3.00 0.10 0.00 0.70 0.00 0.00 55.95 60.40 1xs4 s SER 188 Cb -0.11 -2.67 0.45 0.00 -1.71 0.00 0.00 66.02 61.99 1xs4 s SER 188 CO 0.51 -0.84 1.31 0.54 1.20 0.00 0.00 173.24 175.96 1xs4 n ARG 189 N 0.47 1.68 0.10 5.44 1.74 -1.26 -4.78 116.66 120.05 1xs4 n ARG 189 Ca 0.01 -3.26 0.20 0.00 -0.77 0.00 0.00 57.85 54.02 1xs4 n ARG 189 Cb 0.40 -1.69 0.68 0.00 -1.02 0.00 0.00 32.46 30.82 1xs4 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs4 h ILE 190 N 1.00 0.23 -0.07 0.55 6.09 -1.95 -1.84 117.51 121.51 1xs4 h ILE 190 Ca 0.09 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.60 1xs4 h ILE 190 Cb 1.25 0.52 -0.00 0.00 0.47 0.00 0.00 36.82 39.06 1xs4 h ILE 190 CO 0.15 0.00 0.11 -2.24 -3.07 0.00 0.00 178.15 173.10 1xs4 h ASP 191 N 0.00 0.00 -0.36 2.19 2.03 -1.86 -2.90 116.42 115.52 1xs4 h ASP 191 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1xs4 h ASP 191 Cb 1.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 1xs4 h ASP 191 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1xs4 n LYS 192 N -3.56 1.88 0.00 4.15 5.02 -0.69 -4.81 118.16 120.15 1xs4 n LYS 192 Ca -0.01 -1.37 0.07 0.00 -2.02 0.00 0.00 58.31 54.98 1xs4 n LYS 192 Cb 0.20 -1.32 0.39 0.00 -0.02 0.00 0.00 35.03 34.28 1xs4 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63