#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 4.38 0.92 0.55 1.43 -0.50 -5.01 118.68 120.45 1xs4 s LEU 3 Ca 0.00 2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 1xs4 s LEU 3 Cb 0.00 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.76 1xs4 s LEU 3 CO 0.00 -0.67 1.14 0.00 0.23 0.00 0.00 176.35 177.05 1xs4 h ASP 5 N -1.53 0.44 0.45 0.00 3.04 -1.45 -0.81 116.42 116.56 1xs4 h ASP 5 Ca -0.50 0.07 -0.10 0.00 -3.24 0.00 0.00 57.03 53.26 1xs4 h ASP 5 Cb 1.33 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.61 1xs4 h ASP 5 CO 0.61 0.23 -0.48 -0.09 -2.04 0.00 0.00 179.24 177.47 1xs4 h ARG 6 N 0.58 0.04 0.00 4.15 9.65 -1.93 -1.82 114.38 125.04 1xs4 h ARG 6 Ca 0.37 -0.02 -0.19 0.00 -1.10 0.00 0.00 59.98 59.04 1xs4 h ARG 6 Cb 0.44 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 1xs4 h ARG 6 CO -0.30 0.51 -0.91 -0.44 2.80 0.00 0.00 179.97 181.63 1xs4 h ASP 7 N 0.03 0.00 -0.43 -3.80 3.32 -1.77 -1.68 116.42 112.09 1xs4 h ASP 7 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1xs4 h ASP 7 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1xs4 h ASP 7 CO 0.06 0.91 0.11 0.40 -1.72 0.00 0.00 179.24 179.00 1xs4 h ILE 8 N 0.00 1.23 -0.81 0.35 2.04 -0.59 -1.32 117.51 118.41 1xs4 h ILE 8 Ca -0.01 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1xs4 h ILE 8 Cb 1.61 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 1xs4 h ILE 8 CO 0.12 0.28 0.44 -0.33 0.00 0.00 0.00 178.15 178.67 1xs4 h GLU 9 N 0.57 1.13 -0.50 2.37 5.08 -1.30 -1.12 114.58 120.81 1xs4 h GLU 9 Ca 0.14 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1xs4 h GLU 9 Cb 0.32 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1xs4 h GLU 9 CO 0.00 0.84 0.11 0.00 -1.00 0.00 0.00 179.01 178.96 1xs4 h ALA 10 N 1.23 0.66 -0.19 3.43 0.00 -1.09 0.54 119.26 123.84 1xs4 h ALA 10 Ca 0.29 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1xs4 h ALA 10 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xs4 h ALA 10 CO -0.05 0.36 -0.31 -1.49 0.00 0.00 0.00 179.25 177.77 1xs4 h TRP 11 N 0.69 0.43 -0.53 0.00 4.06 -0.96 -0.85 115.95 118.80 1xs4 h TRP 11 Ca 0.15 -0.10 -0.12 0.00 2.06 0.00 0.00 58.89 60.89 1xs4 h TRP 11 Cb 0.35 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1xs4 h TRP 11 CO 0.02 0.65 -0.14 -0.07 -3.56 0.00 0.00 178.44 175.35 1xs4 h LEU 12 N 0.33 1.03 -0.43 -4.49 3.38 -0.78 -1.80 115.31 112.56 1xs4 h LEU 12 Ca 0.04 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1xs4 h LEU 12 Cb 0.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1xs4 h LEU 12 CO 0.05 1.16 0.14 0.44 0.09 0.00 0.00 178.44 180.32 1xs4 h ASP 13 N 0.90 0.62 -0.75 -0.43 3.32 -0.48 -2.60 116.42 117.00 1xs4 h ASP 13 Ca 0.13 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.04 1xs4 h ASP 13 Cb 0.71 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1xs4 h ASP 13 CO 0.05 0.66 0.49 -0.08 -1.72 0.00 0.00 179.24 178.64 1xs4 h GLU 14 N 0.55 0.80 0.00 3.56 4.81 -1.11 -3.48 114.58 119.70 1xs4 h GLU 14 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xs4 h GLU 14 Cb 0.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1xs4 h GLU 14 CO -0.00 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 1xs4 n GLY 15 N -1.44 1.91 0.17 1.92 0.00 -0.68 -4.93 105.19 102.15 1xs4 n GLY 15 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 3.13 0.00 -6.00 1.61 3.08 -1.87 -3.39 114.38 110.94 1xs4 h ARG 16 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1xs4 h ARG 16 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1xs4 h ARG 16 CO 0.00 0.48 -0.26 -1.17 -1.07 0.00 0.00 179.97 177.95 1xs4 s LEU 17 N -7.53 4.42 -0.10 3.04 2.96 -1.26 -3.22 118.68 116.99 1xs4 s LEU 17 Ca -0.01 0.83 -0.23 0.00 -0.22 0.00 0.00 54.13 54.50 1xs4 s LEU 17 Cb 0.12 -2.66 0.05 0.00 0.50 0.00 0.00 46.19 44.20 1xs4 s LEU 17 CO 0.72 0.28 0.55 -0.55 -1.32 0.00 0.00 176.35 176.04 1xs4 s SER 18 N -1.33 -0.52 -0.23 3.68 0.15 0.09 -4.39 113.70 111.15 1xs4 s SER 18 Ca 0.26 0.72 -0.04 0.00 0.70 0.00 0.00 55.95 57.58 1xs4 s SER 18 Cb -0.15 0.71 0.08 0.00 -1.71 0.00 0.00 66.02 64.95 1xs4 s SER 18 CO 0.14 -0.42 0.10 -0.63 1.20 0.00 0.00 173.24 173.63 1xs4 s ILE 19 N -0.70 0.04 -0.19 6.45 1.01 -1.26 0.05 121.20 126.61 1xs4 s ILE 19 Ca -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1xs4 s ILE 19 Cb -0.03 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 1xs4 s ILE 19 CO 0.05 -0.48 -0.11 0.20 0.00 0.00 0.00 174.94 174.60 1xs4 s ASN 20 N 2.06 3.91 0.53 3.58 0.01 0.75 -1.46 114.94 124.32 1xs4 s ASN 20 Ca 0.05 -0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 51.56 1xs4 s ASN 20 Cb -0.16 -1.64 -0.06 0.00 0.41 0.00 0.00 41.25 39.80 1xs4 s ASN 20 CO -0.21 0.03 1.10 -2.16 -1.51 0.00 0.00 177.10 174.35 1xs4 s PRO 21 N 1.16 3.46 -0.14 -0.60 0.04 -1.26 -0.75 135.00 136.90 1xs4 s PRO 21 Ca 0.01 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1xs4 s PRO 21 Cb -0.14 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1xs4 s PRO 21 CO -0.04 -0.74 1.27 0.50 0.04 0.00 0.00 177.00 178.03 1xs4 s ARG 22 N -3.31 4.25 0.54 4.56 3.52 -0.54 -4.91 118.95 123.05 1xs4 s ARG 22 Ca 0.71 1.68 -0.21 0.00 -0.13 0.00 0.00 55.73 57.78 1xs4 s ARG 22 Cb -0.21 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1xs4 s ARG 22 CO 0.26 -0.67 1.21 -2.14 -0.81 0.00 0.00 175.30 173.15 1xs4 s PRO 23 N 3.30 3.30 1.22 5.12 0.02 -1.26 -4.99 135.00 141.71 1xs4 s PRO 23 Ca 0.55 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 63.24 1xs4 s PRO 23 Cb -0.23 -2.15 0.29 0.00 0.02 0.00 0.00 34.50 32.44 1xs4 s PRO 23 CO 0.16 -0.96 1.10 -1.25 -0.33 0.00 0.00 177.00 175.72 1xs4 s PRO 24 N -3.05 -1.37 0.49 5.54 0.04 -1.26 -4.85 135.00 130.54 1xs4 s PRO 24 Ca 0.71 -0.05 0.15 0.00 0.04 0.00 0.00 61.00 61.86 1xs4 s PRO 24 Cb -0.31 -1.58 1.14 0.00 0.04 0.00 0.00 34.50 33.80 1xs4 s PRO 24 CO 0.36 -3.81 2.08 0.28 0.04 0.00 0.00 177.00 175.94 1xs4 h VAL 25 N -2.65 1.06 0.00 -0.36 2.07 -1.94 -2.36 116.25 112.06 1xs4 h VAL 25 Ca -0.45 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1xs4 h VAL 25 Cb 1.30 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1xs4 h VAL 25 CO 0.34 0.08 -0.03 -0.33 0.02 0.00 0.00 177.57 177.64 1xs4 h GLU 26 N 0.01 0.00 -0.43 1.57 3.07 -2.03 -2.90 114.58 113.87 1xs4 h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xs4 h GLU 26 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1xs4 h GLU 26 CO 0.01 0.03 0.00 0.54 -1.40 0.00 0.00 179.01 178.19 1xs4 n ARG 27 N -3.28 2.48 -3.94 2.33 5.12 -0.89 -4.83 116.66 113.65 1xs4 n ARG 27 Ca -0.02 -2.19 -0.30 0.00 -1.93 0.00 0.00 57.85 53.41 1xs4 n ARG 27 Cb 0.17 -1.41 -0.15 0.00 -1.16 0.00 0.00 32.46 29.91 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 -1.12 1.57 0.09 0.55 1.01 -1.10 -1.24 121.20 120.96 1xs4 s ILE 28 Ca 0.34 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 1xs4 s ILE 28 Cb 0.18 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.82 1xs4 s ILE 28 CO 0.25 -0.18 0.47 0.54 0.00 0.00 0.00 174.94 176.02 1xs4 s ASN 29 N 1.36 -0.36 0.86 3.58 2.20 -0.73 -4.93 114.94 116.92 1xs4 s ASN 29 Ca -0.03 -0.06 0.00 0.00 -0.94 0.00 0.00 52.86 51.82 1xs4 s ASN 29 Cb -0.19 0.49 0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1xs4 s ASN 29 CO -0.08 -0.80 0.00 0.61 -2.94 0.00 0.00 177.10 173.89 1xs4 n GLY 30 N 0.05 0.70 0.89 0.45 0.00 -1.26 -1.11 105.19 104.91 1xs4 n GLY 30 Ca -0.17 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.36 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 7.34 2.29 -2.26 4.61 0.00 -1.26 -1.22 120.51 130.01 1xs4 n ALA 31 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 53.44 51.51 1xs4 n ALA 31 Cb 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.46 0.19 -0.16 0.00 -4.23 -0.27 -4.39 115.64 106.33 1xs4 s THR 32 Ca 0.19 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1xs4 s THR 32 Cb 0.21 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1xs4 s THR 32 CO -0.07 -0.89 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.27 1xs4 s VAL 33 N -3.70 2.55 0.34 2.29 1.01 -0.17 -1.78 120.40 120.94 1xs4 s VAL 33 Ca 0.05 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1xs4 s VAL 33 Cb 0.06 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.26 1xs4 s VAL 33 CO -0.09 0.51 1.23 -1.81 0.00 0.00 0.00 175.10 174.94 1xs4 s ASP 34 N 0.96 6.81 0.27 3.32 1.01 -0.38 -0.33 116.67 128.33 1xs4 s ASP 34 Ca -0.03 2.51 0.11 0.00 0.71 0.00 0.00 52.55 55.85 1xs4 s ASP 34 Cb -0.15 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 1xs4 s ASP 34 CO -0.03 -0.49 -0.12 0.68 0.21 0.00 0.00 175.17 175.43 1xs4 s VAL 35 N -1.21 2.89 0.40 -1.27 -7.23 0.02 -4.88 120.40 109.11 1xs4 s VAL 35 Ca 0.50 -2.20 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 1xs4 s VAL 35 Cb -0.36 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 1xs4 s VAL 35 CO 0.47 -0.39 0.17 -0.13 -0.31 0.00 0.00 175.10 174.91 1xs4 s ARG 36 N -3.58 2.25 -0.02 4.82 0.52 -1.26 -1.84 118.95 119.85 1xs4 s ARG 36 Ca 0.31 -1.77 -0.16 0.00 -0.52 0.00 0.00 55.73 53.58 1xs4 s ARG 36 Cb -0.06 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 1xs4 s ARG 36 CO 0.17 -0.07 0.44 -1.17 0.02 0.00 0.00 175.30 174.70 1xs4 s LEU 37 N -3.90 4.44 0.00 2.53 2.96 -1.26 -1.78 118.68 121.66 1xs4 s LEU 37 Ca 0.41 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1xs4 s LEU 37 Cb 0.02 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 44.06 1xs4 s LEU 37 CO 0.23 0.24 0.00 0.61 -1.32 0.00 0.00 176.35 176.11 1xs4 n GLY 38 N 2.15 0.30 0.51 7.98 0.00 -0.17 -0.10 105.19 115.85 1xs4 n GLY 38 Ca -0.12 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.12 1xs4 n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xs4 n ASN 39 N -2.12 3.10 -4.24 1.61 2.85 -1.26 -4.34 115.26 110.86 1xs4 n ASN 39 Ca 0.00 -2.83 -0.26 0.00 -0.11 0.00 0.00 54.58 51.38 1xs4 n ASN 39 Cb 0.00 -0.42 -0.15 0.00 1.24 0.00 0.00 39.78 40.45 1xs4 n ASN 39 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1xs4 s LYS 40 N -2.46 1.51 0.08 1.20 1.02 -1.26 -3.25 119.74 116.57 1xs4 s LYS 40 Ca 0.33 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 1xs4 s LYS 40 Cb 0.26 -1.56 -0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1xs4 s LYS 40 CO 0.07 0.41 0.18 -0.06 -0.92 0.00 0.00 175.35 175.03 1xs4 s PHE 41 N -0.67 0.14 -0.02 3.18 0.40 -0.43 -3.63 117.98 116.95 1xs4 s PHE 41 Ca 0.08 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1xs4 s PHE 41 Cb -0.08 -0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.39 1xs4 s PHE 41 CO 0.01 -0.52 0.07 1.03 0.70 0.00 0.00 175.22 176.51 1xs4 s ARG 42 N -3.62 0.13 0.48 0.44 0.52 -0.63 -0.94 118.95 115.33 1xs4 s ARG 42 Ca 0.03 0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.29 1xs4 s ARG 42 Cb 0.04 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.54 1xs4 s ARG 42 CO -0.10 -0.02 0.01 0.95 0.02 0.00 0.00 175.30 176.16 1xs4 s THR 43 N -0.16 1.31 -0.01 0.02 -4.23 -1.26 -1.43 115.64 109.88 1xs4 s THR 43 Ca -0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 1xs4 s THR 43 Cb -0.02 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1xs4 s THR 43 CO 0.00 0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.63 1xs4 s PHE 44 N -2.87 2.84 -0.70 3.99 0.40 -1.26 -1.43 117.98 118.94 1xs4 s PHE 44 Ca 0.13 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1xs4 s PHE 44 Cb 0.04 -1.61 0.17 0.00 0.51 0.00 0.00 43.02 42.13 1xs4 s PHE 44 CO 0.07 0.33 0.51 1.03 0.70 0.00 0.00 175.22 177.86 1xs4 s ARG 45 N -1.23 2.56 0.58 0.44 0.52 0.10 -4.91 118.95 117.01 1xs4 s ARG 45 Ca 0.15 -3.12 0.36 0.00 -0.52 0.00 0.00 55.73 52.61 1xs4 s ARG 45 Cb -0.11 -3.55 1.62 0.00 0.52 0.00 0.00 34.95 33.42 1xs4 s ARG 45 CO 0.05 -1.24 2.07 0.78 0.02 0.00 0.00 175.30 176.99 1xs4 h GLY 46 N 5.90 0.00 1.57 -3.53 0.00 -1.92 -3.12 103.07 101.97 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 0.74 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.89 1xs4 n HIS 47 N -3.08 0.00 1.03 5.60 1.44 -1.26 -2.78 115.22 116.18 1xs4 n HIS 47 Ca -0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 1xs4 n HIS 47 Cb 0.25 -0.29 0.05 0.00 0.12 0.00 0.00 29.99 30.12 1xs4 n HIS 47 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1xs4 n THR 48 N -1.29 0.00 -3.86 0.61 -2.24 -1.18 -4.99 114.28 101.33 1xs4 n THR 48 Ca 0.09 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1xs4 n THR 48 Cb 0.16 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.78 -0.25 0.01 6.98 0.00 -1.12 -4.95 121.76 119.66 1xs4 s ALA 49 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1xs4 s ALA 49 Cb 0.17 0.38 -0.28 0.00 0.00 0.00 0.00 23.12 23.40 1xs4 s ALA 49 CO 0.70 -0.43 0.90 0.00 0.00 0.00 0.00 175.76 176.93 1xs4 h ALA 50 N 3.11 0.25 -2.18 0.00 0.00 -1.94 -3.48 119.26 115.02 1xs4 h ALA 50 Ca -0.33 -1.08 0.23 0.00 0.00 0.00 0.00 54.91 53.72 1xs4 h ALA 50 Cb 1.19 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1xs4 h ALA 50 CO 0.53 1.12 0.65 -0.59 0.00 0.00 0.00 179.25 180.96 1xs4 s PHE 51 N -2.62 -0.02 -0.14 0.00 -0.12 -1.26 -5.14 117.98 108.68 1xs4 s PHE 51 Ca -0.08 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1xs4 s PHE 51 Cb 0.07 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 43.10 1xs4 s PHE 51 CO 0.86 -0.67 -0.19 0.42 -0.05 0.00 0.00 175.22 175.58 1xs4 s ILE 52 N -2.54 1.89 -0.68 -4.49 1.01 -1.26 -5.03 121.20 110.10 1xs4 s ILE 52 Ca 0.18 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 1xs4 s ILE 52 Cb -0.00 -1.70 0.05 0.00 0.01 0.00 0.00 42.46 40.82 1xs4 s ILE 52 CO 0.02 0.52 1.09 -0.62 0.00 0.00 0.00 174.94 175.94 1xs4 s ASP 53 N 1.00 6.18 0.38 3.58 -1.08 -1.26 -4.93 116.67 120.54 1xs4 s ASP 53 Ca -0.04 -0.74 0.06 0.00 -0.52 0.00 0.00 52.55 51.31 1xs4 s ASP 53 Cb -0.15 -2.47 0.78 0.00 -1.46 0.00 0.00 42.92 39.62 1xs4 s ASP 53 CO -0.05 -1.59 1.99 -0.07 0.52 0.00 0.00 175.17 175.98 1xs4 h LEU 54 N 11.98 0.60 -5.52 -1.34 3.38 -1.98 -2.75 115.31 119.68 1xs4 h LEU 54 Ca -0.28 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.18 1xs4 h LEU 54 Cb 1.06 -0.14 -0.41 0.00 0.09 0.00 0.00 40.66 41.27 1xs4 h LEU 54 CO 1.22 0.41 -0.99 -1.54 0.09 0.00 0.00 178.44 177.62 1xs4 n SER 55 N -4.47 2.35 -3.86 -0.43 3.41 -1.26 -4.75 113.62 104.61 1xs4 n SER 55 Ca 0.08 -3.23 -0.16 0.00 -0.26 0.00 0.00 58.87 55.30 1xs4 n SER 55 Cb 0.17 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.56 1xs4 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs4 n GLY 56 N 0.01 2.57 3.67 5.00 0.00 -1.04 -5.06 105.19 110.33 1xs4 n GLY 56 Ca 0.26 -2.23 -0.45 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.49 2.01 -0.20 1.61 -0.02 -1.26 -4.85 135.00 130.79 1xs4 n PRO 57 Ca 0.02 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1xs4 n PRO 57 Cb 0.40 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.40 0.53 -0.46 -0.52 3.64 -1.97 -2.82 116.57 119.37 1xs4 h LYS 58 Ca -0.45 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 1xs4 h LYS 58 Cb 1.28 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1xs4 h LYS 58 CO 0.77 0.35 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.68 1xs4 h ASP 59 N 0.55 0.93 0.82 4.20 3.32 -1.93 -1.54 116.42 122.77 1xs4 h ASP 59 Ca 0.28 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1xs4 h ASP 59 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1xs4 h ASP 59 CO -0.21 1.09 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.78 1xs4 h GLU 60 N 0.80 0.00 0.08 3.56 5.08 -1.91 -1.25 114.58 120.94 1xs4 h GLU 60 Ca 0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.17 1xs4 h GLU 60 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1xs4 h GLU 60 CO 0.06 0.29 -1.55 0.28 -1.00 0.00 0.00 179.01 177.08 1xs4 h VAL 61 N 0.00 1.10 -0.24 3.13 2.07 -1.33 -2.64 116.25 118.33 1xs4 h VAL 61 Ca -0.00 -2.80 -0.12 0.00 0.82 0.00 0.00 66.70 64.60 1xs4 h VAL 61 Cb 0.78 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1xs4 h VAL 61 CO 0.04 0.78 -0.34 -1.28 0.02 0.00 0.00 177.57 176.78 1xs4 h SER 62 N 0.05 0.54 -0.25 0.57 0.87 -1.25 -1.86 113.55 112.23 1xs4 h SER 62 Ca -0.24 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1xs4 h SER 62 Cb 1.99 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1xs4 h SER 62 CO 0.14 0.84 -0.19 0.00 -0.53 0.00 0.00 176.83 177.09 1xs4 h ALA 63 N 1.19 0.35 -0.52 6.23 0.00 -1.30 -2.72 119.26 122.50 1xs4 h ALA 63 Ca 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1xs4 h ALA 63 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1xs4 h ALA 63 CO 0.07 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.71 1xs4 h ALA 64 N 0.69 0.69 -0.71 0.00 0.00 -1.47 -2.51 119.26 115.95 1xs4 h ALA 64 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xs4 h ALA 64 Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xs4 h ALA 64 CO 0.05 0.40 0.41 -0.07 0.00 0.00 0.00 179.25 180.04 1xs4 h LEU 65 N 0.73 0.87 -1.49 0.00 3.38 -1.37 -1.93 115.31 115.50 1xs4 h LEU 65 Ca 0.16 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1xs4 h LEU 65 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xs4 h LEU 65 CO 0.00 0.70 -0.21 0.44 0.09 0.00 0.00 178.44 179.46 1xs4 h ASP 66 N 0.98 0.05 0.16 -0.43 3.32 -1.40 -3.11 116.42 116.00 1xs4 h ASP 66 Ca 0.25 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.98 1xs4 h ASP 66 Cb 0.00 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.57 1xs4 h ASP 66 CO -0.04 0.27 -1.30 0.03 -1.72 0.00 0.00 179.24 176.48 1xs4 h ARG 67 N 0.05 0.59 -3.27 3.56 3.08 -1.10 -3.46 114.38 113.84 1xs4 h ARG 67 Ca 0.01 -0.86 -0.71 0.00 0.07 0.00 0.00 59.98 58.49 1xs4 h ARG 67 Cb 0.41 0.30 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 1xs4 h ARG 67 CO 0.03 1.40 3.05 1.33 -1.07 0.00 0.00 179.97 184.71 1xs4 n VAL 68 N -3.79 4.29 -4.34 2.04 0.24 -0.76 -4.76 118.33 111.25 1xs4 n VAL 68 Ca -0.15 -3.38 -0.18 0.00 -2.04 0.00 0.00 64.34 58.60 1xs4 n VAL 68 Cb 1.02 -2.46 -0.10 0.00 -1.47 0.00 0.00 33.84 30.83 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 1.83 2.22 0.93 -1.34 1.04 -0.52 0.01 113.70 117.88 1xs4 s SER 70 Ca 0.55 -1.13 -0.15 0.00 0.48 0.00 0.00 55.95 55.70 1xs4 s SER 70 Cb 0.16 -0.07 0.17 0.00 0.10 0.00 0.00 66.02 66.37 1xs4 s SER 70 CO -0.06 -0.36 1.27 -1.81 0.98 0.00 0.00 173.24 173.25 1xs4 s ASP 71 N -3.32 3.44 0.20 7.02 1.11 -1.26 -4.76 116.67 119.11 1xs4 s ASP 71 Ca 0.25 0.44 -0.30 0.00 0.18 0.00 0.00 52.55 53.13 1xs4 s ASP 71 Cb 0.03 -0.63 -0.09 0.00 1.07 0.00 0.00 42.92 43.30 1xs4 s ASP 71 CO 0.08 -2.54 1.25 -0.70 1.18 0.00 0.00 175.17 174.43 1xs4 s GLU 72 N -5.77 4.45 -0.24 8.23 2.12 -1.26 -4.71 118.70 121.52 1xs4 s GLU 72 Ca 0.70 1.97 -0.10 0.00 0.36 0.00 0.00 54.97 57.90 1xs4 s GLU 72 Cb -0.06 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1xs4 s GLU 72 CO 0.52 -0.15 0.16 0.42 -0.54 0.00 0.00 175.26 175.66 1xs4 s ILE 73 N -0.09 5.34 -0.27 -3.70 1.01 -0.11 -4.93 121.20 118.44 1xs4 s ILE 73 Ca 0.54 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 1xs4 s ILE 73 Cb -0.35 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.68 1xs4 s ILE 73 CO 0.38 0.35 -0.05 -0.69 0.00 0.00 0.00 174.94 174.93 1xs4 s VAL 74 N 1.02 2.74 0.18 2.92 1.01 -1.26 -1.31 120.40 125.69 1xs4 s VAL 74 Ca 0.07 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1xs4 s VAL 74 Cb -0.13 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 1xs4 s VAL 74 CO 0.04 0.05 1.13 -0.76 0.00 0.00 0.00 175.10 175.56 1xs4 s LEU 75 N 1.25 4.47 1.03 3.92 1.43 -1.20 -5.06 118.68 124.52 1xs4 s LEU 75 Ca -0.04 2.13 -0.16 0.00 -1.03 0.00 0.00 54.13 55.03 1xs4 s LEU 75 Cb -0.18 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.65 1xs4 s LEU 75 CO -0.04 -0.27 1.21 -1.81 0.23 0.00 0.00 176.35 175.67 1xs4 s ASP 76 N -0.01 2.49 0.07 2.29 1.01 -1.26 -4.91 116.67 116.34 1xs4 s ASP 76 Ca 0.50 0.54 -0.33 0.00 0.71 0.00 0.00 52.55 53.98 1xs4 s ASP 76 Cb -0.30 -0.77 -0.12 0.00 1.01 0.00 0.00 42.92 42.73 1xs4 s ASP 76 CO 0.35 -3.15 1.75 -0.62 0.21 0.00 0.00 175.17 173.72 1xs4 n GLU 77 N -4.09 2.36 -1.58 8.23 -0.58 -1.26 -1.96 120.64 121.75 1xs4 n GLU 77 Ca 0.13 0.86 -0.16 0.00 -0.42 0.00 0.00 57.16 57.56 1xs4 n GLU 77 Cb 0.59 -2.69 -0.06 0.00 -0.57 0.00 0.00 31.44 28.71 1xs4 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs4 n GLY 78 N 3.98 1.41 3.89 0.62 0.00 -1.26 -4.99 105.19 108.83 1xs4 n GLY 78 Ca 0.19 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1xs4 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xs4 s GLU 79 N -3.56 3.26 0.18 1.61 2.12 -0.83 -5.12 118.70 116.35 1xs4 s GLU 79 Ca 0.00 -0.64 0.11 0.00 0.36 0.00 0.00 54.97 54.81 1xs4 s GLU 79 Cb 0.00 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1xs4 s GLU 79 CO 0.00 0.54 -0.24 0.00 -0.54 0.00 0.00 175.26 175.02 1xs4 s ALA 80 N -1.65 2.53 -0.25 6.30 0.00 -1.26 -4.69 121.76 122.74 1xs4 s ALA 80 Ca 0.33 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1xs4 s ALA 80 Cb -0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1xs4 s ALA 80 CO 0.27 0.46 0.18 0.12 0.00 0.00 0.00 175.76 176.79 1xs4 s PHE 81 N -1.53 3.30 -0.48 0.00 5.36 -0.06 -4.93 117.98 119.64 1xs4 s PHE 81 Ca 0.19 0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 56.22 1xs4 s PHE 81 Cb -0.08 -2.31 0.06 0.00 -0.34 0.00 0.00 43.02 40.35 1xs4 s PHE 81 CO 0.09 0.01 0.50 0.71 -1.46 0.00 0.00 175.22 175.07 1xs4 s TYR 82 N 1.23 3.15 -0.55 10.12 1.51 -1.26 -0.51 117.35 131.04 1xs4 s TYR 82 Ca 0.08 -0.71 -0.22 0.00 -1.01 0.00 0.00 57.07 55.21 1xs4 s TYR 82 Cb -0.14 -3.30 0.06 0.00 -0.11 0.00 0.00 41.96 38.46 1xs4 s TYR 82 CO 0.06 -0.89 0.81 -1.17 -1.11 0.00 0.00 175.55 173.25 1xs4 s LEU 83 N 2.11 4.56 0.38 -1.29 2.96 -0.55 -4.91 118.68 121.94 1xs4 s LEU 83 Ca 0.09 -0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1xs4 s LEU 83 Cb -0.21 -2.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.79 1xs4 s LEU 83 CO 0.09 -1.13 0.85 -1.00 -1.32 0.00 0.00 176.35 173.85 1xs4 s HIS 84 N 3.38 3.36 0.23 5.38 3.76 -1.26 -1.63 115.29 128.50 1xs4 s HIS 84 Ca 0.22 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.28 1xs4 s HIS 84 Cb -0.17 -2.71 -0.16 0.00 1.11 0.00 0.00 32.58 30.66 1xs4 s HIS 84 CO 0.14 -0.00 0.84 -2.30 -0.85 0.00 0.00 174.74 172.56 1xs4 n PRO 85 N -0.46 0.76 -1.06 8.40 -0.02 -1.26 -1.99 135.00 139.38 1xs4 n PRO 85 Ca 0.05 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.78 1xs4 n PRO 85 Cb 0.53 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.62 0.49 3.32 -1.23 0.00 -0.46 -5.00 105.19 103.94 1xs4 n GLY 86 Ca 0.14 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.20 3.33 0.05 1.61 0.41 -0.84 -5.00 118.70 117.06 1xs4 s GLU 87 Ca 0.00 -0.69 -0.17 0.00 -0.41 0.00 0.00 54.97 53.70 1xs4 s GLU 87 Cb 0.00 -2.71 -0.06 0.00 -1.78 0.00 0.00 34.13 29.57 1xs4 s GLU 87 CO 0.00 0.06 0.50 -1.17 -0.49 0.00 0.00 175.26 174.16 1xs4 s LEU 88 N 0.75 4.49 0.03 1.80 2.96 -1.26 -3.76 118.68 123.69 1xs4 s LEU 88 Ca -0.05 1.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.90 1xs4 s LEU 88 Cb -0.15 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.75 1xs4 s LEU 88 CO 0.01 0.28 0.18 0.00 -1.32 0.00 0.00 176.35 175.51 1xs4 s ALA 89 N -1.12 -0.36 0.01 5.97 0.00 -0.90 -4.65 121.76 120.70 1xs4 s ALA 89 Ca 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 1xs4 s ALA 89 Cb -0.18 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1xs4 s ALA 89 CO 0.17 -0.31 0.21 -0.51 0.00 0.00 0.00 175.76 175.32 1xs4 s LEU 90 N -1.85 4.37 0.00 0.00 1.43 -0.51 -0.91 118.68 121.20 1xs4 s LEU 90 Ca -0.08 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1xs4 s LEU 90 Cb -0.03 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1xs4 s LEU 90 CO -0.02 0.24 0.00 0.00 0.23 0.00 0.00 176.35 176.81 1xs4 n ALA 91 N 0.89 0.00 -2.99 4.21 0.00 0.40 -1.60 120.51 121.42 1xs4 n ALA 91 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1xs4 n ALA 91 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.18 0.09 0.46 0.00 0.11 -1.24 -0.57 120.40 117.08 1xs4 s VAL 92 Ca 0.00 -0.77 -0.21 0.00 -2.93 0.00 0.00 61.98 58.07 1xs4 s VAL 92 Cb 0.00 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 34.01 1xs4 s VAL 92 CO 0.00 -0.42 1.03 0.42 -3.33 0.00 0.00 175.10 172.80 1xs4 s THR 93 N -2.08 3.84 0.17 5.04 -4.23 0.31 -1.00 115.64 117.69 1xs4 s THR 93 Ca -0.09 1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 61.49 1xs4 s THR 93 Cb -0.03 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.36 1xs4 s THR 93 CO -0.01 -0.20 1.76 0.25 -0.54 0.00 0.00 174.62 175.88 1xs4 h LEU 94 N 1.78 0.72 -9.68 4.79 5.85 -1.55 -3.40 115.31 113.82 1xs4 h LEU 94 Ca -0.49 -0.12 -0.51 0.00 0.84 0.00 0.00 57.88 57.60 1xs4 h LEU 94 Cb 1.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1xs4 h LEU 94 CO 0.60 0.64 0.40 -1.61 -0.34 0.00 0.00 178.44 178.13 1xs4 s GLU 95 N -5.74 4.72 0.01 1.25 8.01 -1.26 -4.76 118.70 120.92 1xs4 s GLU 95 Ca -0.13 1.58 -0.21 0.00 0.01 0.00 0.00 54.97 56.22 1xs4 s GLU 95 Cb 0.12 -3.30 -0.06 0.00 -4.31 0.00 0.00 34.13 26.59 1xs4 s GLU 95 CO 0.77 0.27 0.62 0.45 0.01 0.00 0.00 175.26 177.38 1xs4 s SER 96 N -0.52 7.02 -0.01 -0.19 0.15 0.07 -4.14 113.70 116.09 1xs4 s SER 96 Ca 0.45 1.22 0.06 0.00 0.70 0.00 0.00 55.95 58.38 1xs4 s SER 96 Cb -0.27 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1xs4 s SER 96 CO 0.33 0.11 -0.18 -0.69 1.20 0.00 0.00 173.24 174.01 1xs4 s VAL 97 N -0.29 2.74 -0.10 4.45 1.01 -0.81 -0.18 120.40 127.23 1xs4 s VAL 97 Ca 0.32 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1xs4 s VAL 97 Cb -0.19 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1xs4 s VAL 97 CO 0.18 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.84 1xs4 s THR 98 N -0.77 0.85 -0.01 3.92 2.01 0.11 -1.01 115.64 120.74 1xs4 s THR 98 Ca 0.12 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1xs4 s THR 98 Cb -0.10 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1xs4 s THR 98 CO 0.02 0.33 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.49 1xs4 s LEU 99 N 1.65 3.34 1.00 4.42 1.43 -0.44 -0.73 118.68 129.36 1xs4 s LEU 99 Ca 0.03 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 1xs4 s LEU 99 Cb -0.13 -1.90 0.21 0.00 0.03 0.00 0.00 46.19 44.41 1xs4 s LEU 99 CO -0.06 0.29 1.29 -2.16 0.23 0.00 0.00 176.35 175.94 1xs4 s PRO 100 N -1.42 0.36 0.50 1.29 0.04 -1.20 -1.43 135.00 133.14 1xs4 s PRO 100 Ca 0.18 -0.35 0.32 0.00 0.04 0.00 0.00 61.00 61.19 1xs4 s PRO 100 Cb -0.11 -1.81 1.37 0.00 0.04 0.00 0.00 34.50 33.99 1xs4 s PRO 100 CO 0.08 -2.61 1.96 0.00 0.04 0.00 0.00 177.00 176.47 1xs4 h ALA 101 N -1.79 1.00 -0.60 8.56 0.00 -1.92 -2.83 119.26 121.68 1xs4 h ALA 101 Ca -0.44 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1xs4 h ALA 101 Cb 1.25 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1xs4 h ALA 101 CO 0.38 0.00 0.20 -0.40 0.00 0.00 0.00 179.25 179.43 1xs4 n ASP 102 N -2.92 3.97 -3.76 0.00 5.75 -1.26 -0.74 116.55 117.60 1xs4 n ASP 102 Ca 0.01 -3.37 -0.13 0.00 -0.01 0.00 0.00 54.79 51.29 1xs4 n ASP 102 Cb 0.27 -0.70 -0.13 0.00 -1.03 0.00 0.00 41.12 39.54 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 0.77 0.05 -2.12 2.96 -1.16 -1.29 118.68 114.81 1xs4 s LEU 103 Ca 0.51 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1xs4 s LEU 103 Cb 0.42 0.70 -0.03 0.00 0.50 0.00 0.00 46.19 47.78 1xs4 s LEU 103 CO 0.09 -0.13 -0.19 0.54 -1.32 0.00 0.00 176.35 175.35 1xs4 s VAL 104 N 0.76 2.72 0.22 1.68 0.11 -0.63 -2.92 120.40 122.35 1xs4 s VAL 104 Ca -0.05 -1.27 0.09 0.00 -2.93 0.00 0.00 61.98 57.82 1xs4 s VAL 104 Cb -0.07 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1xs4 s VAL 104 CO -0.04 0.30 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.13 1xs4 s GLY 105 N -1.54 1.71 -0.03 6.54 0.00 0.24 -0.88 107.32 113.36 1xs4 s GLY 105 Ca 0.15 -1.58 -0.00 0.00 0.00 0.00 0.00 44.72 43.29 1xs4 s GLY 105 CO 0.06 -1.62 0.01 -0.98 0.00 0.00 0.00 173.10 170.56 1xs4 s TRP 106 N -2.03 0.32 -0.29 1.90 0.52 -0.33 -0.83 118.94 118.20 1xs4 s TRP 106 Ca 0.28 0.01 -0.20 0.00 0.02 0.00 0.00 56.10 56.22 1xs4 s TRP 106 Cb -0.07 -0.45 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1xs4 s TRP 106 CO 0.17 -0.15 0.59 -1.17 0.02 0.00 0.00 176.95 176.41 1xs4 s LEU 107 N 1.23 4.12 0.21 2.99 2.96 -0.11 -1.40 118.68 128.67 1xs4 s LEU 107 Ca -0.07 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1xs4 s LEU 107 Cb -0.13 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1xs4 s LEU 107 CO -0.02 -0.41 0.36 -1.81 -1.32 0.00 0.00 176.35 173.15 1xs4 s ASP 108 N 1.59 6.34 0.00 3.68 1.01 0.65 -4.83 116.67 125.10 1xs4 s ASP 108 Ca 0.24 0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1xs4 s ASP 108 Cb -0.15 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1xs4 s ASP 108 CO 0.11 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1xs4 n GLY 109 N -1.01 1.19 3.00 0.21 0.00 -1.26 -1.61 105.19 105.72 1xs4 n GLY 109 Ca -0.07 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 1.28 0.51 0.41 1.61 0.52 -1.26 -4.14 118.95 117.88 1xs4 s ARG 110 Ca 0.00 -0.36 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 1xs4 s ARG 110 Cb 0.00 -0.44 0.85 0.00 0.52 0.00 0.00 34.95 35.88 1xs4 s ARG 110 CO 0.00 0.11 2.05 1.03 0.02 0.00 0.00 175.30 178.52 1xs4 h SER 111 N 5.59 0.46 -0.06 0.23 0.87 -1.98 0.16 113.55 118.82 1xs4 h SER 111 Ca -0.31 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 1xs4 h SER 111 Cb 1.19 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1xs4 h SER 111 CO 0.48 0.35 -0.08 0.28 -0.53 0.00 0.00 176.83 177.32 1xs4 h SER 112 N 0.54 0.30 0.24 6.23 0.02 -1.99 -2.20 113.55 116.69 1xs4 h SER 112 Ca 0.15 -0.06 -0.34 0.00 -0.84 0.00 0.00 61.79 60.69 1xs4 h SER 112 Cb -0.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1xs4 h SER 112 CO -0.03 0.43 -1.73 -0.07 -1.14 0.00 0.00 176.83 174.28 1xs4 h LEU 113 N 0.31 0.56 -1.25 5.07 3.38 -1.63 -3.32 115.31 118.43 1xs4 h LEU 113 Ca 0.06 -0.85 0.13 0.00 0.09 0.00 0.00 57.88 57.31 1xs4 h LEU 113 Cb 0.35 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1xs4 h LEU 113 CO 0.02 1.72 0.57 0.00 0.09 0.00 0.00 178.44 180.84 1xs4 h ALA 114 N 0.19 1.76 0.00 1.53 0.00 -0.63 -1.14 119.26 120.98 1xs4 h ALA 114 Ca -0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xs4 h ALA 114 Cb 2.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xs4 h ALA 114 CO 0.17 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1xs4 n ARG 115 N -4.56 0.23 -0.06 0.00 1.74 -0.84 -1.43 116.66 111.74 1xs4 n ARG 115 Ca 0.17 0.11 0.02 0.00 -0.77 0.00 0.00 57.85 57.38 1xs4 n ARG 115 Cb 0.42 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.32 2.32 0.00 0.55 4.77 -0.55 -5.01 117.00 117.75 1xs4 n LEU 116 Ca 0.09 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 1xs4 n LEU 116 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1xs4 n LEU 116 CO 0.16 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1xs4 n GLY 117 N -0.21 0.67 3.78 -0.72 0.00 -0.51 -4.06 105.19 104.15 1xs4 n GLY 117 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1xs4 n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xs4 n LEU 118 N 0.00 0.00 0.00 0.99 7.94 -0.54 -0.85 117.00 124.54 1xs4 n LEU 118 Ca 0.00 -1.58 0.00 0.00 -1.11 0.00 0.00 56.01 53.32 1xs4 n LEU 118 Cb 0.00 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.04 1xs4 n LEU 118 CO 0.00 -1.33 0.00 1.33 -1.11 0.00 0.00 177.39 176.28 1xs4 n VAL 120 N -3.58 0.00 -4.09 1.96 0.24 -1.26 -4.10 118.33 107.50 1xs4 n VAL 120 Ca 0.16 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.36 1xs4 n VAL 120 Cb 0.57 0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.73 -0.56 6.34 -3.43 -1.19 -3.36 115.29 113.82 1xs4 s HIS 121 Ca 0.00 -1.08 0.04 0.00 -0.80 0.00 0.00 55.06 53.22 1xs4 s HIS 121 Cb 0.00 -0.32 0.15 0.00 -1.43 0.00 0.00 32.58 30.98 1xs4 s HIS 121 CO 0.00 -0.63 0.37 0.08 -2.00 0.00 0.00 174.74 172.56 1xs4 s VAL 122 N -4.04 2.04 -0.60 -5.38 1.01 -1.26 -4.84 120.40 107.33 1xs4 s VAL 122 Ca 0.24 -3.43 -0.08 0.00 0.00 0.00 0.00 61.98 58.71 1xs4 s VAL 122 Cb 0.06 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1xs4 s VAL 122 CO 0.03 -0.99 0.16 0.35 0.00 0.00 0.00 175.10 174.65 1xs4 n THR 123 N 2.68 -0.80 -3.23 3.92 -2.24 -1.26 -4.93 114.28 108.42 1xs4 n THR 123 Ca 0.16 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1xs4 n THR 123 Cb 0.37 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 -4.00 -1.82 0.00 6.98 0.00 -1.26 -5.05 121.76 116.61 1xs4 s ALA 124 Ca 0.11 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1xs4 s ALA 124 Cb -0.06 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1xs4 s ALA 124 CO 0.43 -1.64 0.92 -2.39 0.00 0.00 0.00 175.76 173.09 1xs4 n HIS 125 N 5.39 0.00 -3.23 0.00 -0.00 -1.26 -4.84 115.22 111.28 1xs4 n HIS 125 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.34 1xs4 n HIS 125 Cb 0.51 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.42 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 0.00 4.23 -0.31 -1.40 3.52 -1.26 -0.94 118.95 122.78 1xs4 s ARG 126 Ca 0.00 0.47 -0.09 0.00 -0.13 0.00 0.00 55.73 55.98 1xs4 s ARG 126 Cb 0.00 -3.54 -0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1xs4 s ARG 126 CO 0.00 -0.11 0.15 0.42 -0.81 0.00 0.00 175.30 174.95 1xs4 s ILE 127 N 1.49 4.52 0.56 4.11 -1.09 -0.01 -4.99 121.20 125.79 1xs4 s ILE 127 Ca 0.26 -0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 58.03 1xs4 s ILE 127 Cb -0.16 -3.33 -0.06 0.00 -1.58 0.00 0.00 42.46 37.34 1xs4 s ILE 127 CO 0.10 0.04 1.02 -1.81 -1.23 0.00 0.00 174.94 173.07 1xs4 s ASP 128 N 1.59 6.22 0.33 3.58 1.01 -1.26 -0.59 116.67 127.55 1xs4 s ASP 128 Ca 0.04 1.67 -0.29 0.00 0.71 0.00 0.00 52.55 54.68 1xs4 s ASP 128 Cb -0.17 -2.52 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 1xs4 s ASP 128 CO 0.06 -0.87 1.46 -0.81 0.21 0.00 0.00 175.17 175.22 1xs4 n PRO 129 N -1.85 2.46 -0.06 8.23 -0.04 -1.15 -1.02 135.00 141.58 1xs4 n PRO 129 Ca 0.08 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1xs4 n PRO 129 Cb 0.53 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 1.26 2.28 3.69 0.55 0.00 -0.51 -0.97 105.19 111.49 1xs4 n GLY 130 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 1.98 -3.49 1.61 -0.00 -0.19 -3.15 117.44 112.20 1xs4 n TRP 131 Ca 0.00 0.49 -0.10 0.00 -0.00 0.00 0.00 57.50 57.90 1xs4 n TRP 131 Cb 0.00 -2.35 -0.09 0.00 -0.00 0.00 0.00 31.31 28.87 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 -0.64 0.13 0.00 5.87 0.15 -1.26 -1.32 113.70 116.63 1xs4 s SER 132 Ca 0.63 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1xs4 s SER 132 Cb -0.50 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1xs4 s SER 132 CO 0.56 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1xs4 n GLY 133 N 5.37 1.98 3.77 9.45 0.00 -0.18 -4.05 105.19 121.53 1xs4 n GLY 133 Ca -0.06 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.64 5.24 -0.07 0.00 1.01 -1.26 -4.82 121.20 119.66 1xs4 s ILE 135 Ca 0.71 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 61.63 1xs4 s ILE 135 Cb -0.28 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1xs4 s ILE 135 CO 0.31 0.28 0.90 -0.69 0.00 0.00 0.00 174.94 175.74 1xs4 s VAL 136 N 1.27 4.88 -0.14 2.92 1.01 -1.26 -0.53 120.40 128.55 1xs4 s VAL 136 Ca 0.15 1.86 -0.06 0.00 0.00 0.00 0.00 61.98 63.93 1xs4 s VAL 136 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1xs4 s VAL 136 CO 0.07 0.11 0.06 -0.76 0.00 0.00 0.00 175.10 174.58 1xs4 s LEU 137 N 1.44 3.85 -0.44 3.92 1.43 0.26 -4.94 118.68 124.20 1xs4 s LEU 137 Ca 0.46 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 1xs4 s LEU 137 Cb -0.19 -1.94 0.10 0.00 0.03 0.00 0.00 46.19 44.20 1xs4 s LEU 137 CO 0.20 0.28 0.29 0.00 0.23 0.00 0.00 176.35 177.35 1xs4 s ALA 138 N -0.26 3.31 0.05 4.21 0.00 -1.21 -0.45 121.76 127.39 1xs4 s ALA 138 Ca 0.08 -2.39 -0.17 0.00 0.00 0.00 0.00 51.96 49.47 1xs4 s ALA 138 Cb -0.12 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1xs4 s ALA 138 CO 0.02 -1.79 0.51 -0.06 0.00 0.00 0.00 175.76 174.43 1xs4 s PHE 139 N 1.34 3.77 -0.02 0.00 2.99 -0.09 -3.19 117.98 122.78 1xs4 s PHE 139 Ca 0.05 1.16 0.00 0.00 0.00 0.00 0.00 56.93 58.14 1xs4 s PHE 139 Cb -0.24 -2.41 0.02 0.00 0.00 0.00 0.00 43.02 40.39 1xs4 s PHE 139 CO -0.00 0.61 0.01 -0.47 -0.00 0.00 0.00 175.22 175.37 1xs4 s TYR 140 N -1.11 0.10 -0.55 0.36 5.04 -1.26 -2.12 117.35 117.80 1xs4 s TYR 140 Ca 0.27 0.07 -0.18 0.00 -2.44 0.00 0.00 57.07 54.79 1xs4 s TYR 140 Cb -0.18 -0.22 0.10 0.00 0.35 0.00 0.00 41.96 42.00 1xs4 s TYR 140 CO 0.17 -0.08 0.61 1.21 -1.34 0.00 0.00 175.55 176.12 1xs4 s ASN 141 N 0.79 6.19 0.00 4.32 3.84 -1.25 -4.38 114.94 124.45 1xs4 s ASN 141 Ca -0.07 -1.41 0.25 0.00 0.21 0.00 0.00 52.86 51.84 1xs4 s ASN 141 Cb -0.10 -2.27 0.87 0.00 -0.55 0.00 0.00 41.25 39.21 1xs4 s ASN 141 CO -0.02 -0.96 1.64 -1.54 -2.79 0.00 0.00 177.10 173.42 1xs4 n SER 142 N 5.93 1.73 -1.79 -4.21 3.41 -0.03 -1.36 113.62 117.31 1xs4 n SER 142 Ca -0.10 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1xs4 n SER 142 Cb 0.43 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.19 0.36 0.01 5.00 0.00 -1.26 -4.90 105.19 105.59 1xs4 n GLY 143 Ca 0.18 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.37 0.76 -5.15 1.61 4.76 -1.26 -4.70 118.16 113.81 1xs4 n LYS 144 Ca 0.00 -0.12 -0.31 0.00 -2.87 0.00 0.00 58.31 55.01 1xs4 n LYS 144 Cb 0.00 -1.38 -0.15 0.00 -1.84 0.00 0.00 35.03 31.65 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 -3.85 2.21 0.54 -0.35 1.02 -1.26 -4.94 118.68 112.05 1xs4 s LEU 145 Ca -0.03 -0.44 -0.22 0.00 0.02 0.00 0.00 54.13 53.46 1xs4 s LEU 145 Cb 0.12 -1.38 -0.05 0.00 0.02 0.00 0.00 46.19 44.89 1xs4 s LEU 145 CO 0.72 0.31 1.28 -2.65 0.02 0.00 0.00 176.35 176.03 1xs4 n PRO 146 N 2.28 1.56 -4.42 1.29 -0.02 -1.26 -4.57 135.00 129.86 1xs4 n PRO 146 Ca -0.16 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 1xs4 n PRO 146 Cb 0.51 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 1xs4 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs4 s LEU 147 N -2.98 1.74 -0.28 2.45 1.43 -0.65 -4.96 118.68 115.44 1xs4 s LEU 147 Ca 0.71 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 1xs4 s LEU 147 Cb -0.43 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1xs4 s LEU 147 CO 0.50 0.01 0.98 0.00 0.23 0.00 0.00 176.35 178.07 1xs4 s ALA 148 N 1.03 3.59 -0.24 4.21 0.00 -1.26 -1.48 121.76 127.61 1xs4 s ALA 148 Ca -0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 1xs4 s ALA 148 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1xs4 s ALA 148 CO -0.03 -1.21 0.12 -0.51 0.00 0.00 0.00 175.76 174.14 1xs4 s LEU 149 N 3.26 3.82 -0.06 0.00 1.43 0.34 -4.94 118.68 122.53 1xs4 s LEU 149 Ca 0.41 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1xs4 s LEU 149 Cb -0.14 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1xs4 s LEU 149 CO 0.10 0.03 -0.25 -0.13 0.23 0.00 0.00 176.35 176.34 1xs4 s ARG 150 N 1.23 2.63 0.25 1.70 0.52 -1.26 -0.88 118.95 123.14 1xs4 s ARG 150 Ca 0.06 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 1xs4 s ARG 150 Cb -0.14 -2.18 -0.15 0.00 0.52 0.00 0.00 34.95 33.00 1xs4 s ARG 150 CO 0.05 0.35 1.06 -2.30 0.02 0.00 0.00 175.30 174.48 1xs4 n PRO 151 N 3.03 1.29 -0.13 3.54 -0.02 -1.26 -4.83 135.00 136.62 1xs4 n PRO 151 Ca -0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1xs4 n PRO 151 Cb 0.52 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.52 0.82 3.37 -1.23 0.00 0.85 -4.96 105.19 105.57 1xs4 n GLY 152 Ca 0.11 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.22 3.05 -0.00 0.99 1.43 -1.26 -4.55 118.68 118.11 1xs4 s LEU 154 Ca 0.00 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1xs4 s LEU 154 Cb 0.00 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1xs4 s LEU 154 CO 0.00 0.01 0.03 0.00 0.23 0.00 0.00 176.35 176.62 1xs4 n ILE 155 N 4.59 0.02 -3.48 -0.59 0.13 -0.77 -4.91 119.36 114.35 1xs4 n ILE 155 Ca -0.18 -0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.43 1xs4 n ILE 155 Cb 0.51 0.19 0.00 0.00 -0.84 0.00 0.00 39.64 39.50 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 2.51 1.06 3.16 4.50 0.00 -1.13 -4.35 105.19 110.94 1xs4 n GLY 156 Ca -0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.53 -0.07 4.61 0.00 -0.63 -0.80 121.76 123.34 1xs4 s ALA 157 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1xs4 s ALA 157 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1xs4 s ALA 157 CO 0.00 -0.22 -0.23 -0.51 0.00 0.00 0.00 175.76 174.80 1xs4 s LEU 158 N -1.19 2.18 0.28 0.00 1.43 0.55 -0.25 118.68 121.68 1xs4 s LEU 158 Ca -0.13 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1xs4 s LEU 158 Cb -0.06 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1xs4 s LEU 158 CO 0.02 0.23 -0.06 -0.94 0.23 0.00 0.00 176.35 175.83 1xs4 s SER 159 N -0.05 4.21 -0.01 2.29 1.04 -0.49 -1.00 113.70 119.69 1xs4 s SER 159 Ca -0.07 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1xs4 s SER 159 Cb -0.15 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 1xs4 s SER 159 CO 0.05 -0.03 -0.07 -0.36 0.98 0.00 0.00 173.24 173.81 1xs4 s PHE 160 N -2.41 0.62 -0.16 5.02 0.40 -1.26 -1.19 117.98 119.00 1xs4 s PHE 160 Ca 0.32 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1xs4 s PHE 160 Cb -0.05 -0.40 0.05 0.00 0.51 0.00 0.00 43.02 43.13 1xs4 s PHE 160 CO 0.18 -0.01 -0.01 -2.00 0.70 0.00 0.00 175.22 174.08 1xs4 s GLU 161 N -0.15 0.98 0.44 0.44 2.12 -0.06 -1.41 118.70 121.06 1xs4 s GLU 161 Ca 0.03 -0.38 -0.26 0.00 0.36 0.00 0.00 54.97 54.72 1xs4 s GLU 161 Cb -0.03 -1.87 -0.09 0.00 0.26 0.00 0.00 34.13 32.41 1xs4 s GLU 161 CO -0.00 -0.49 1.45 -2.14 -0.54 0.00 0.00 175.26 173.54 1xs4 s PRO 162 N 1.77 3.77 0.57 4.30 0.02 -1.26 -1.60 135.00 142.58 1xs4 s PRO 162 Ca 0.01 2.48 -0.02 0.00 0.02 0.00 0.00 61.00 63.49 1xs4 s PRO 162 Cb -0.15 -2.73 0.03 0.00 0.02 0.00 0.00 34.50 31.67 1xs4 s PRO 162 CO -0.07 -0.77 0.82 -0.51 -0.33 0.00 0.00 177.00 176.14 1xs4 s LEU 163 N -2.58 3.24 0.47 -5.54 1.43 -0.41 -4.88 118.68 110.40 1xs4 s LEU 163 Ca 0.59 0.25 0.19 0.00 -1.03 0.00 0.00 54.13 54.13 1xs4 s LEU 163 Cb -0.45 -3.07 1.14 0.00 0.03 0.00 0.00 46.19 43.84 1xs4 s LEU 163 CO 0.59 -1.14 2.01 0.77 0.23 0.00 0.00 176.35 178.80 1xs4 h SER 164 N -0.04 0.00 -2.31 2.29 4.64 -1.95 -3.45 113.55 112.72 1xs4 h SER 164 Ca -0.44 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1xs4 h SER 164 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xs4 h SER 164 CO 0.56 0.17 0.25 0.61 -0.87 0.00 0.00 176.83 177.55 1xs4 n GLY 165 N -0.87 1.17 3.73 -0.77 0.00 -1.26 -5.13 105.19 102.06 1xs4 n GLY 165 Ca -0.02 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 4.42 0.29 1.61 0.04 -1.26 -4.61 135.00 133.42 1xs4 s PRO 166 Ca 0.12 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1xs4 s PRO 166 Cb -0.03 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1xs4 s PRO 166 CO 0.07 -0.23 1.47 0.00 0.04 0.00 0.00 177.00 178.35 1xs4 s ALA 167 N 0.38 3.63 0.17 8.56 0.00 0.08 -4.91 121.76 129.68 1xs4 s ALA 167 Ca 0.57 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.92 1xs4 s ALA 167 Cb -0.34 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.25 1xs4 s ALA 167 CO 0.35 -0.84 1.43 0.28 0.00 0.00 0.00 175.76 176.99 1xs4 h VAL 168 N 3.36 1.36 -2.19 0.00 2.07 -1.94 -3.35 116.25 115.55 1xs4 h VAL 168 Ca -0.47 -2.06 -0.60 0.00 0.82 0.00 0.00 66.70 64.39 1xs4 h VAL 168 Cb 1.22 2.04 -0.42 0.00 -1.52 0.00 0.00 31.29 32.61 1xs4 h VAL 168 CO 0.75 0.63 -0.59 0.54 0.02 0.00 0.00 177.57 178.91 1xs4 n ARG 169 N -3.87 2.54 -1.27 1.57 1.74 -1.26 -5.08 116.66 111.02 1xs4 n ARG 169 Ca -0.04 -4.68 -0.29 0.00 -0.77 0.00 0.00 57.85 52.07 1xs4 n ARG 169 Cb 0.69 -2.26 0.17 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.49 0.60 0.23 5.56 0.04 -1.26 -4.86 135.00 132.82 1xs4 s PRO 170 Ca 0.40 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 61.82 1xs4 s PRO 170 Cb 0.15 -1.76 0.22 0.00 0.04 0.00 0.00 34.50 33.14 1xs4 s PRO 170 CO -0.01 -2.60 1.80 -0.92 0.04 0.00 0.00 177.00 175.31 1xs4 h TYR 171 N -1.79 1.15 0.00 0.56 3.20 -1.29 -2.74 116.97 116.05 1xs4 h TYR 171 Ca -0.54 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.24 1xs4 h TYR 171 Cb 1.33 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 1xs4 h TYR 171 CO 0.29 0.87 -0.07 -2.95 -1.64 0.00 0.00 178.16 174.67 1xs4 h ASN 172 N 1.10 0.00 -0.20 -2.11 -1.07 -1.78 -3.11 115.58 108.41 1xs4 h ASN 172 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.62 1xs4 h ASN 172 Cb 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1xs4 h ASN 172 CO -0.02 0.07 0.00 0.54 0.07 0.00 0.00 177.43 178.09 1xs4 n ARG 173 N -3.56 1.78 -3.19 4.14 1.74 -1.04 -4.98 116.66 111.55 1xs4 n ARG 173 Ca -0.02 -1.70 -0.40 0.00 -0.77 0.00 0.00 57.85 54.96 1xs4 n ARG 173 Cb 0.18 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.06 4.18 0.31 5.56 3.52 -1.18 -4.97 118.95 125.31 1xs4 s ARG 174 Ca 0.21 0.49 0.08 0.00 -0.13 0.00 0.00 55.73 56.39 1xs4 s ARG 174 Cb 0.13 -3.58 0.49 0.00 -1.56 0.00 0.00 34.95 30.43 1xs4 s ARG 174 CO 0.18 -0.22 1.71 0.93 -0.81 0.00 0.00 175.30 177.09 1xs4 h GLU 175 N 7.54 0.17 -0.56 5.12 4.39 -1.93 -2.76 114.58 126.55 1xs4 h GLU 175 Ca -0.32 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1xs4 h GLU 175 Cb 1.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1xs4 h GLU 175 CO 0.75 0.57 0.00 -0.40 -1.16 0.00 0.00 179.01 178.77 1xs4 n ASP 176 N -4.02 5.12 -4.75 1.42 5.75 -1.26 -4.95 116.55 113.86 1xs4 n ASP 176 Ca -0.02 -2.74 -0.41 0.00 -0.01 0.00 0.00 54.79 51.61 1xs4 n ASP 176 Cb 0.48 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.39 3.52 -0.08 2.12 0.00 -1.04 -4.98 121.76 118.92 1xs4 s ALA 177 Ca 0.51 1.20 0.14 0.00 0.00 0.00 0.00 51.96 53.81 1xs4 s ALA 177 Cb 0.37 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.77 1xs4 s ALA 177 CO 0.18 -0.59 0.54 1.63 0.00 0.00 0.00 175.76 177.52 1xs4 n LYS 178 N 1.68 0.64 -0.74 0.00 5.02 -1.26 -4.65 118.16 118.86 1xs4 n LYS 178 Ca 0.03 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1xs4 n LYS 178 Cb 0.42 -1.74 0.18 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.98 0.00 -1.74 2.13 4.02 -1.26 -5.03 117.16 112.29 1xs4 n TYR 179 Ca -0.20 -1.31 -0.32 0.00 -0.01 0.00 0.00 57.90 56.05 1xs4 n TYR 179 Cb 1.07 -0.23 0.04 0.00 -0.02 0.00 0.00 39.34 40.20 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 -2.67 2.90 -1.75 -0.72 0.52 -1.26 -3.57 118.95 112.40 1xs4 s ARG 180 Ca 0.37 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1xs4 s ARG 180 Cb 0.37 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.86 1xs4 s ARG 180 CO -0.08 -1.15 0.00 -1.71 0.02 0.00 0.00 175.30 172.38 1xs4 n ASN 181 N -2.58 -5.54 -4.67 0.23 5.15 -1.26 -4.92 115.26 101.68 1xs4 n ASN 181 Ca 0.09 0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.75 1xs4 n ASN 181 Cb 0.53 -4.67 -0.02 0.00 -0.53 0.00 0.00 39.78 35.08 1xs4 n ASN 181 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1xs4 s GLN 182 N -4.79 4.30 -0.08 1.20 0.74 -1.23 -4.94 119.66 114.85 1xs4 s GLN 182 Ca 0.00 1.37 0.03 0.00 0.05 0.00 0.00 55.36 56.81 1xs4 s GLN 182 Cb 0.00 -3.62 -0.07 0.00 1.10 0.00 0.00 33.01 30.42 1xs4 s GLN 182 CO 0.00 -0.56 -0.04 0.94 -0.55 0.00 0.00 175.29 175.08 1xs4 n GLN 183 N 6.04 1.24 0.00 1.67 7.27 -1.26 -2.99 117.38 129.35 1xs4 n GLN 183 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.21 1xs4 n GLN 183 Cb 0.47 -1.17 0.00 0.00 2.41 0.00 0.00 30.24 31.94 1xs4 n GLN 183 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xs4 n GLY 184 N 2.90 5.63 3.04 1.69 0.00 -1.26 -4.87 105.19 112.32 1xs4 n GLY 184 Ca -0.14 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 4.85 -2.09 4.61 0.00 -1.26 -4.77 120.51 118.84 1xs4 n ALA 185 Ca 0.00 -4.01 -0.41 0.00 0.00 0.00 0.00 53.44 49.02 1xs4 n ALA 185 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 19.45 16.04 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 2.64 3.55 0.79 0.00 1.01 -1.26 -4.74 120.40 122.39 1xs4 s VAL 186 Ca 0.47 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1xs4 s VAL 186 Cb 0.09 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1xs4 s VAL 186 CO -0.02 0.18 1.14 0.00 0.00 0.00 0.00 175.10 176.41 1xs4 s ALA 187 N 0.15 2.56 0.30 5.51 0.00 -1.26 -4.98 121.76 124.05 1xs4 s ALA 187 Ca 0.55 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1xs4 s ALA 187 Cb -0.33 -3.00 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1xs4 s ALA 187 CO 0.36 -1.61 1.47 0.45 0.00 0.00 0.00 175.76 176.43 1xs4 n SER 188 N -3.30 3.37 -1.91 0.00 2.88 -1.26 -4.91 113.62 108.49 1xs4 n SER 188 Ca 0.07 1.17 -0.22 0.00 -1.33 0.00 0.00 58.87 58.56 1xs4 n SER 188 Cb 0.59 -1.54 0.07 0.00 -0.75 0.00 0.00 64.21 62.58 1xs4 n SER 188 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xs4 n ARG 189 N 1.52 3.08 0.16 -1.46 1.74 -1.26 -4.80 116.66 115.63 1xs4 n ARG 189 Ca 0.07 -3.81 0.17 0.00 -0.77 0.00 0.00 57.85 53.51 1xs4 n ARG 189 Cb 0.36 -2.19 0.76 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.71 0.62 0.00 0.55 6.09 -1.94 -1.64 117.51 122.89 1xs4 h ILE 190 Ca 0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.88 1xs4 h ILE 190 Cb 1.37 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.50 1xs4 h ILE 190 CO 0.86 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.04 1xs4 n ASP 191 N -4.06 0.34 -0.33 2.19 5.75 -1.26 -2.48 116.55 116.70 1xs4 n ASP 191 Ca 0.03 0.63 0.13 0.00 -0.01 0.00 0.00 54.79 55.56 1xs4 n ASP 191 Cb 0.37 -0.68 0.34 0.00 -1.03 0.00 0.00 41.12 40.12 1xs4 n ASP 191 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xs4 n LYS 192 N -1.92 1.04 0.00 0.11 4.76 -0.62 -4.83 118.16 116.71 1xs4 n LYS 192 Ca 0.01 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.78 1xs4 n LYS 192 Cb 0.09 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1xs4 n LYS 192 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78