#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 4.39 0.88 0.55 1.43 -0.60 -5.02 118.68 120.31 1xs4 s LEU 3 Ca 0.00 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 1xs4 s LEU 3 Cb 0.00 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.74 1xs4 s LEU 3 CO 0.00 -0.65 1.14 0.00 0.23 0.00 0.00 176.35 177.07 1xs4 h ASP 5 N -1.39 0.64 -0.18 0.00 3.04 -1.29 -0.35 116.42 116.89 1xs4 h ASP 5 Ca -0.49 0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.34 1xs4 h ASP 5 Cb 1.33 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 1xs4 h ASP 5 CO 0.62 0.30 0.09 -0.09 -2.04 0.00 0.00 179.24 178.12 1xs4 h ARG 6 N 0.67 0.27 0.00 4.15 9.65 -1.93 -1.35 114.38 125.83 1xs4 h ARG 6 Ca 0.47 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 59.15 1xs4 h ARG 6 Cb 0.81 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 1xs4 h ARG 6 CO -0.23 0.30 -0.75 -0.44 2.80 0.00 0.00 179.97 181.66 1xs4 h ASP 7 N 0.16 0.00 0.06 -3.80 3.32 -1.68 -0.78 116.42 113.71 1xs4 h ASP 7 Ca 0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1xs4 h ASP 7 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1xs4 h ASP 7 CO -0.01 0.75 -0.10 0.40 -1.72 0.00 0.00 179.24 178.56 1xs4 h ILE 8 N 0.00 0.75 -0.23 0.35 2.04 -0.99 -0.48 117.51 118.94 1xs4 h ILE 8 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1xs4 h ILE 8 Cb 1.33 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1xs4 h ILE 8 CO 0.10 0.00 -0.19 -0.33 0.00 0.00 0.00 178.15 177.72 1xs4 h GLU 9 N -0.21 -0.19 -0.95 2.37 5.08 -0.99 -1.84 114.58 117.86 1xs4 h GLU 9 Ca 0.02 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xs4 h GLU 9 Cb 0.22 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1xs4 h GLU 9 CO -0.06 -0.13 0.62 0.00 -1.00 0.00 0.00 179.01 178.44 1xs4 h ALA 10 N 0.91 1.23 -0.20 3.43 0.00 -0.99 0.19 119.26 123.84 1xs4 h ALA 10 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1xs4 h ALA 10 Cb 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xs4 h ALA 10 CO -0.35 0.53 -0.50 -1.49 0.00 0.00 0.00 179.25 177.44 1xs4 h TRP 11 N 1.23 0.66 -0.62 0.00 4.06 -0.84 -1.23 115.95 119.21 1xs4 h TRP 11 Ca 0.37 -0.22 -0.07 0.00 2.06 0.00 0.00 58.89 61.02 1xs4 h TRP 11 Cb -0.05 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 1xs4 h TRP 11 CO -0.01 0.93 0.09 -0.07 -3.56 0.00 0.00 178.44 175.82 1xs4 h LEU 12 N 0.42 0.97 -0.55 -4.49 3.38 -0.41 -1.72 115.31 112.91 1xs4 h LEU 12 Ca 0.02 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1xs4 h LEU 12 Cb 1.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1xs4 h LEU 12 CO 0.09 0.97 -0.34 0.44 0.09 0.00 0.00 178.44 179.69 1xs4 h ASP 13 N 0.95 0.83 1.06 -0.43 3.32 -0.38 -2.80 116.42 118.98 1xs4 h ASP 13 Ca 0.19 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1xs4 h ASP 13 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1xs4 h ASP 13 CO 0.01 1.09 -0.30 -0.08 -1.72 0.00 0.00 179.24 178.24 1xs4 h GLU 14 N 0.66 0.00 0.00 3.56 4.81 -1.16 -3.48 114.58 118.97 1xs4 h GLU 14 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xs4 h GLU 14 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1xs4 h GLU 14 CO 0.08 0.30 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 1xs4 n GLY 15 N 0.42 0.60 0.15 1.92 0.00 -0.65 -4.93 105.19 102.69 1xs4 n GLY 15 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1xs4 n GLY 15 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xs4 h ARG 16 N 1.57 0.43 -6.58 1.61 2.43 -1.85 -3.42 114.38 108.58 1xs4 h ARG 16 Ca 0.00 -0.23 -0.52 0.00 -0.81 0.00 0.00 59.98 58.42 1xs4 h ARG 16 Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1xs4 h ARG 16 CO 0.00 0.80 -0.01 -1.17 -1.51 0.00 0.00 179.97 178.08 1xs4 s LEU 17 N -9.05 4.12 -0.14 3.80 2.96 -1.24 -3.99 118.68 115.14 1xs4 s LEU 17 Ca -0.14 1.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.78 1xs4 s LEU 17 Cb 0.06 -3.87 0.05 0.00 0.50 0.00 0.00 46.19 42.93 1xs4 s LEU 17 CO 0.77 -0.13 0.34 -0.55 -1.32 0.00 0.00 176.35 175.46 1xs4 s SER 18 N -2.31 -0.40 -0.05 3.68 0.15 -0.95 -4.26 113.70 109.56 1xs4 s SER 18 Ca 0.50 0.73 -0.00 0.00 0.70 0.00 0.00 55.95 57.88 1xs4 s SER 18 Cb -0.11 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1xs4 s SER 18 CO 0.19 -0.17 -0.01 -0.63 1.20 0.00 0.00 173.24 173.83 1xs4 s ILE 19 N 1.05 0.37 -0.08 6.45 1.01 -1.26 -1.22 121.20 127.52 1xs4 s ILE 19 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1xs4 s ILE 19 Cb -0.07 -0.48 0.03 0.00 0.01 0.00 0.00 42.46 41.94 1xs4 s ILE 19 CO -0.08 0.23 -0.02 0.20 0.00 0.00 0.00 174.94 175.26 1xs4 s ASN 20 N 1.49 1.62 0.51 3.58 0.01 -0.13 -1.83 114.94 120.20 1xs4 s ASN 20 Ca -0.02 -0.13 -0.21 0.00 -0.71 0.00 0.00 52.86 51.78 1xs4 s ASN 20 Cb -0.13 -0.52 -0.06 0.00 0.41 0.00 0.00 41.25 40.94 1xs4 s ASN 20 CO -0.03 -0.16 1.16 -2.16 -1.51 0.00 0.00 177.10 174.40 1xs4 s PRO 21 N 1.78 3.50 -0.05 -0.60 0.04 -1.26 -0.70 135.00 137.72 1xs4 s PRO 21 Ca 0.03 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1xs4 s PRO 21 Cb -0.13 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1xs4 s PRO 21 CO -0.05 -0.75 1.46 0.50 0.04 0.00 0.00 177.00 178.20 1xs4 s ARG 22 N -3.01 4.24 0.59 4.56 3.52 -0.76 -4.92 118.95 123.17 1xs4 s ARG 22 Ca 0.69 1.99 -0.19 0.00 -0.13 0.00 0.00 55.73 58.09 1xs4 s ARG 22 Cb -0.27 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 1xs4 s ARG 22 CO 0.32 -0.69 1.18 -2.14 -0.81 0.00 0.00 175.30 173.15 1xs4 s PRO 23 N 3.11 3.04 1.27 5.12 0.02 -1.26 -5.01 135.00 141.30 1xs4 s PRO 23 Ca 0.65 1.73 -0.21 0.00 0.02 0.00 0.00 61.00 63.19 1xs4 s PRO 23 Cb -0.30 -1.95 0.32 0.00 0.02 0.00 0.00 34.50 32.58 1xs4 s PRO 23 CO 0.25 -1.13 1.08 -1.25 -0.33 0.00 0.00 177.00 175.63 1xs4 s PRO 24 N -3.39 -1.79 0.45 5.54 0.04 -1.26 -4.88 135.00 129.71 1xs4 s PRO 24 Ca 0.75 -0.12 0.12 0.00 0.04 0.00 0.00 61.00 61.79 1xs4 s PRO 24 Cb -0.28 -1.53 1.02 0.00 0.04 0.00 0.00 34.50 33.75 1xs4 s PRO 24 CO 0.32 -4.07 2.05 0.28 0.04 0.00 0.00 177.00 175.61 1xs4 h VAL 25 N -2.84 1.09 0.00 -0.36 2.07 -1.95 -2.72 116.25 111.55 1xs4 h VAL 25 Ca -0.43 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1xs4 h VAL 25 Cb 1.30 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1xs4 h VAL 25 CO 0.29 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 1xs4 n GLU 26 N -4.42 0.19 -0.27 1.57 4.71 -1.26 -2.48 120.64 118.68 1xs4 n GLU 26 Ca -0.01 0.41 0.07 0.00 -0.01 0.00 0.00 57.16 57.63 1xs4 n GLU 26 Cb 0.15 -1.86 0.21 0.00 -1.01 0.00 0.00 31.44 28.93 1xs4 n GLU 26 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1xs4 n ARG 27 N -2.22 2.92 -4.00 3.49 5.12 -1.03 -4.85 116.66 116.11 1xs4 n ARG 27 Ca 0.02 -2.30 -0.31 0.00 -1.93 0.00 0.00 57.85 53.33 1xs4 n ARG 27 Cb 0.23 -1.43 -0.15 0.00 -1.16 0.00 0.00 32.46 29.95 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 -1.26 1.80 0.04 0.55 1.01 -1.03 -1.51 121.20 120.80 1xs4 s ILE 28 Ca 0.31 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 59.31 1xs4 s ILE 28 Cb 0.18 -2.00 0.06 0.00 0.01 0.00 0.00 42.46 40.71 1xs4 s ILE 28 CO 0.19 -0.07 0.60 0.54 0.00 0.00 0.00 174.94 176.19 1xs4 s ASN 29 N 1.27 -0.55 0.96 3.58 2.20 -0.55 -4.94 114.94 116.91 1xs4 s ASN 29 Ca -0.07 0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.18 1xs4 s ASN 29 Cb -0.19 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.59 1xs4 s ASN 29 CO -0.06 -0.74 0.00 0.61 -2.94 0.00 0.00 177.10 173.97 1xs4 n GLY 30 N 0.40 0.56 1.02 0.45 0.00 -1.26 -1.59 105.19 104.76 1xs4 n GLY 30 Ca -0.18 0.55 0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 7.71 2.41 -2.29 4.61 0.00 -1.26 -0.85 120.51 130.84 1xs4 n ALA 31 Ca 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 53.44 51.26 1xs4 n ALA 31 Cb 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.57 0.19 -0.12 0.00 -4.23 -0.62 -4.36 115.64 105.92 1xs4 s THR 32 Ca 0.25 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1xs4 s THR 32 Cb 0.27 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1xs4 s THR 32 CO -0.10 -0.85 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.29 1xs4 s VAL 33 N -3.85 2.88 0.30 2.29 1.01 -0.14 -1.48 120.40 121.41 1xs4 s VAL 33 Ca 0.06 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1xs4 s VAL 33 Cb 0.06 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 1xs4 s VAL 33 CO -0.10 0.53 1.08 -1.81 0.00 0.00 0.00 175.10 174.80 1xs4 s ASP 34 N 0.32 7.17 0.24 3.32 1.01 -0.57 0.04 116.67 128.20 1xs4 s ASP 34 Ca -0.12 2.21 0.11 0.00 0.71 0.00 0.00 52.55 55.46 1xs4 s ASP 34 Cb -0.16 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 1xs4 s ASP 34 CO 0.06 -0.21 -0.17 0.68 0.21 0.00 0.00 175.17 175.74 1xs4 s VAL 35 N -1.27 2.65 0.25 -1.27 -7.23 -0.26 -4.89 120.40 108.39 1xs4 s VAL 35 Ca 0.47 -2.16 0.09 0.00 -1.81 0.00 0.00 61.98 58.57 1xs4 s VAL 35 Cb -0.30 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1xs4 s VAL 35 CO 0.38 -0.29 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.72 1xs4 s ARG 36 N -3.24 2.23 0.02 4.82 0.52 -1.26 -1.55 118.95 120.48 1xs4 s ARG 36 Ca 0.27 -1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 53.79 1xs4 s ARG 36 Cb -0.06 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 1xs4 s ARG 36 CO 0.14 0.38 0.95 -1.17 0.02 0.00 0.00 175.30 175.62 1xs4 s LEU 37 N -3.51 4.39 0.00 2.53 2.96 -1.26 -1.03 118.68 122.77 1xs4 s LEU 37 Ca 0.30 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 1xs4 s LEU 37 Cb -0.07 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1xs4 s LEU 37 CO 0.19 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1xs4 n GLY 38 N 2.77 -0.65 0.23 7.98 0.00 -0.31 -0.07 105.19 115.14 1xs4 n GLY 38 Ca 0.04 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 1.64 -4.31 1.61 6.94 -1.26 -4.17 115.26 115.70 1xs4 n ASN 39 Ca 0.00 -2.79 -0.30 0.00 -0.02 0.00 0.00 54.58 51.47 1xs4 n ASN 39 Cb 0.00 -0.37 -0.15 0.00 -2.36 0.00 0.00 39.78 36.90 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 -2.03 1.87 0.08 -3.83 1.02 -1.26 -1.85 119.74 113.75 1xs4 s LYS 40 Ca 0.23 -1.00 -0.09 0.00 0.02 0.00 0.00 55.97 55.13 1xs4 s LYS 40 Cb 0.20 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1xs4 s LYS 40 CO 0.02 0.51 0.20 -0.06 -0.92 0.00 0.00 175.35 175.10 1xs4 s PHE 41 N -0.71 0.13 -0.05 3.18 0.40 -0.25 -3.67 117.98 117.02 1xs4 s PHE 41 Ca 0.10 -0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1xs4 s PHE 41 Cb -0.10 -0.05 0.01 0.00 0.51 0.00 0.00 43.02 43.40 1xs4 s PHE 41 CO 0.01 -0.54 0.13 1.03 0.70 0.00 0.00 175.22 176.55 1xs4 s ARG 42 N -3.72 0.15 0.45 0.44 0.52 -0.76 -0.33 118.95 115.69 1xs4 s ARG 42 Ca 0.04 0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.46 1xs4 s ARG 42 Cb 0.04 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 1xs4 s ARG 42 CO -0.10 -0.02 0.02 0.95 0.02 0.00 0.00 175.30 176.17 1xs4 s THR 43 N 0.05 1.44 0.03 0.02 -4.23 -1.26 -1.20 115.64 110.49 1xs4 s THR 43 Ca -0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1xs4 s THR 43 Cb -0.01 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1xs4 s THR 43 CO 0.00 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.73 1xs4 s PHE 44 N -2.88 3.06 -0.63 3.99 0.40 -1.26 -1.41 117.98 119.25 1xs4 s PHE 44 Ca 0.21 0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.63 1xs4 s PHE 44 Cb 0.06 -1.62 0.16 0.00 0.51 0.00 0.00 43.02 42.12 1xs4 s PHE 44 CO 0.11 0.47 0.41 1.03 0.70 0.00 0.00 175.22 177.94 1xs4 s ARG 45 N -1.87 2.21 0.43 0.44 0.52 0.15 -4.89 118.95 115.94 1xs4 s ARG 45 Ca 0.22 -3.04 0.30 0.00 -0.52 0.00 0.00 55.73 52.69 1xs4 s ARG 45 Cb -0.12 -3.26 1.24 0.00 0.52 0.00 0.00 34.95 33.34 1xs4 s ARG 45 CO 0.14 -1.24 1.88 0.78 0.02 0.00 0.00 175.30 176.88 1xs4 h GLY 46 N 5.77 0.00 1.96 -3.53 0.00 -1.91 -3.18 103.07 102.17 1xs4 h GLY 46 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xs4 h GLY 46 CO 0.69 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.84 1xs4 n HIS 47 N -2.72 0.00 1.07 5.60 1.44 -1.26 -2.97 115.22 116.38 1xs4 n HIS 47 Ca 0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.84 1xs4 n HIS 47 Cb 0.26 -0.48 0.10 0.00 0.12 0.00 0.00 29.99 30.00 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 -1.48 0.00 -3.75 0.61 -2.24 -1.20 -4.96 114.28 101.26 1xs4 n THR 48 Ca 0.05 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1xs4 n THR 48 Cb 0.21 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.61 -0.60 -0.03 6.98 0.00 -1.16 -4.94 121.76 119.41 1xs4 s ALA 49 Ca 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1xs4 s ALA 49 Cb 0.18 0.50 -0.27 0.00 0.00 0.00 0.00 23.12 23.53 1xs4 s ALA 49 CO 0.62 -0.52 0.73 0.00 0.00 0.00 0.00 175.76 176.58 1xs4 h ALA 50 N 2.76 0.36 -2.27 0.00 0.00 -1.93 -3.47 119.26 114.71 1xs4 h ALA 50 Ca -0.33 -1.21 0.20 0.00 0.00 0.00 0.00 54.91 53.57 1xs4 h ALA 50 Cb 1.22 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 1xs4 h ALA 50 CO 0.50 1.22 0.58 -0.59 0.00 0.00 0.00 179.25 180.97 1xs4 s PHE 51 N -2.60 -0.04 -0.15 0.00 -0.12 -1.26 -5.14 117.98 108.67 1xs4 s PHE 51 Ca -0.11 -0.27 0.02 0.00 -0.05 0.00 0.00 56.93 56.52 1xs4 s PHE 51 Cb 0.07 0.65 0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1xs4 s PHE 51 CO 0.83 -0.77 -0.20 0.42 -0.05 0.00 0.00 175.22 175.46 1xs4 s ILE 52 N -2.71 1.98 -0.78 -4.49 1.01 -1.26 -5.04 121.20 109.91 1xs4 s ILE 52 Ca 0.17 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 1xs4 s ILE 52 Cb -0.01 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.76 1xs4 s ILE 52 CO 0.02 0.53 1.14 -0.62 0.00 0.00 0.00 174.94 176.01 1xs4 s ASP 53 N 1.03 6.30 0.35 3.58 -1.08 -1.26 -4.93 116.67 120.66 1xs4 s ASP 53 Ca -0.02 -1.11 0.03 0.00 -0.52 0.00 0.00 52.55 50.92 1xs4 s ASP 53 Cb -0.14 -2.47 0.64 0.00 -1.46 0.00 0.00 42.92 39.49 1xs4 s ASP 53 CO -0.06 -1.48 1.98 -0.07 0.52 0.00 0.00 175.17 176.06 1xs4 h LEU 54 N 11.79 0.74 -4.38 -1.34 3.38 -1.99 -2.47 115.31 121.04 1xs4 h LEU 54 Ca -0.14 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.24 1xs4 h LEU 54 Cb 1.05 -0.17 -0.42 0.00 0.09 0.00 0.00 40.66 41.20 1xs4 h LEU 54 CO 1.23 0.51 -0.73 -1.54 0.09 0.00 0.00 178.44 178.00 1xs4 n SER 55 N -4.45 4.78 -3.99 -0.43 3.41 -1.26 -4.80 113.62 106.88 1xs4 n SER 55 Ca 0.09 -3.73 -0.15 0.00 -0.26 0.00 0.00 58.87 54.81 1xs4 n SER 55 Cb 0.11 -0.44 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.52 2.35 3.64 5.00 0.00 -0.93 -5.03 105.19 109.69 1xs4 n GLY 56 Ca 0.40 -2.22 -0.46 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.65 1.78 -0.23 1.61 -0.02 -1.26 -4.77 135.00 130.46 1xs4 n PRO 57 Ca 0.06 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 1xs4 n PRO 57 Cb 0.42 -2.26 0.15 0.00 -0.02 0.00 0.00 33.50 31.79 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 4.12 0.39 -0.48 -0.52 3.64 -1.96 -1.99 116.57 119.78 1xs4 h LYS 58 Ca -0.45 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 1xs4 h LYS 58 Cb 1.29 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1xs4 h LYS 58 CO 0.75 0.26 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.65 1xs4 h ASP 59 N 0.40 0.86 0.52 4.20 3.32 -1.93 -1.55 116.42 122.24 1xs4 h ASP 59 Ca 0.36 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1xs4 h ASP 59 Cb 0.51 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xs4 h ASP 59 CO -0.37 0.98 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.44 1xs4 h GLU 60 N 0.78 0.00 0.12 3.56 5.08 -1.74 -1.95 114.58 120.43 1xs4 h GLU 60 Ca 0.13 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 1xs4 h GLU 60 Cb 0.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1xs4 h GLU 60 CO 0.04 0.36 -0.79 0.28 -1.00 0.00 0.00 179.01 177.89 1xs4 h VAL 61 N 0.00 1.49 -0.17 3.13 2.07 -1.16 -3.09 116.25 118.51 1xs4 h VAL 61 Ca -0.00 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.07 1xs4 h VAL 61 Cb 0.71 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 1xs4 h VAL 61 CO 0.05 0.70 0.09 -1.28 0.02 0.00 0.00 177.57 177.15 1xs4 h SER 62 N -0.30 0.15 -0.66 0.57 0.87 -1.31 -0.85 113.55 112.02 1xs4 h SER 62 Ca -0.13 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1xs4 h SER 62 Cb 1.59 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.50 1xs4 h SER 62 CO 0.15 0.11 0.20 0.00 -0.53 0.00 0.00 176.83 176.76 1xs4 h ALA 63 N 1.08 1.07 -0.46 6.23 0.00 -1.48 -1.95 119.26 123.76 1xs4 h ALA 63 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1xs4 h ALA 63 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1xs4 h ALA 63 CO -0.04 0.63 0.12 0.00 0.00 0.00 0.00 179.25 179.96 1xs4 h ALA 64 N 1.21 0.60 -0.61 0.00 0.00 -1.45 -2.51 119.26 116.50 1xs4 h ALA 64 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xs4 h ALA 64 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xs4 h ALA 64 CO -0.01 0.28 0.38 -0.07 0.00 0.00 0.00 179.25 179.83 1xs4 h LEU 65 N 0.61 0.72 -1.43 0.00 3.38 -0.86 -1.65 115.31 116.07 1xs4 h LEU 65 Ca 0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xs4 h LEU 65 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xs4 h LEU 65 CO -0.00 0.55 -0.25 0.44 0.09 0.00 0.00 178.44 179.27 1xs4 h ASP 66 N 0.83 0.00 -0.02 -0.43 3.32 -1.33 -2.89 116.42 115.89 1xs4 h ASP 66 Ca 0.22 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 1xs4 h ASP 66 Cb -0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1xs4 h ASP 66 CO -0.04 0.25 -0.67 0.03 -1.72 0.00 0.00 179.24 177.08 1xs4 h ARG 67 N 0.00 0.49 -3.00 3.56 3.08 -1.08 -3.47 114.38 113.96 1xs4 h ARG 67 Ca -0.00 -0.50 -0.69 0.00 0.07 0.00 0.00 59.98 58.85 1xs4 h ARG 67 Cb 0.59 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1xs4 h ARG 67 CO 0.03 1.14 3.40 1.33 -1.07 0.00 0.00 179.97 184.81 1xs4 n VAL 68 N -4.15 4.48 -4.46 2.04 0.24 -0.65 -4.77 118.33 111.06 1xs4 n VAL 68 Ca -0.10 -3.09 -0.22 0.00 -2.04 0.00 0.00 64.34 58.89 1xs4 n VAL 68 Cb 0.70 -2.48 -0.10 0.00 -1.47 0.00 0.00 33.84 30.49 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 1.78 2.81 0.84 -1.34 1.04 -0.50 0.31 113.70 118.64 1xs4 s SER 70 Ca 0.63 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 1xs4 s SER 70 Cb 0.18 -0.18 0.10 0.00 0.10 0.00 0.00 66.02 66.22 1xs4 s SER 70 CO -0.07 -0.42 1.10 -1.81 0.98 0.00 0.00 173.24 173.02 1xs4 s ASP 71 N -3.49 3.88 0.28 7.02 1.11 -1.26 -4.81 116.67 119.39 1xs4 s ASP 71 Ca 0.32 1.80 -0.30 0.00 0.18 0.00 0.00 52.55 54.55 1xs4 s ASP 71 Cb 0.06 -2.44 -0.11 0.00 1.07 0.00 0.00 42.92 41.50 1xs4 s ASP 71 CO 0.14 -2.43 1.54 -0.70 1.18 0.00 0.00 175.17 174.90 1xs4 s GLU 72 N -4.85 4.17 -0.23 8.23 2.12 -1.26 -4.74 118.70 122.13 1xs4 s GLU 72 Ca 0.63 2.48 -0.10 0.00 0.36 0.00 0.00 54.97 58.34 1xs4 s GLU 72 Cb -0.19 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1xs4 s GLU 72 CO 0.57 -0.55 0.15 0.42 -0.54 0.00 0.00 175.26 175.30 1xs4 s ILE 73 N -0.01 5.28 -0.24 -3.70 1.01 0.54 -4.94 121.20 119.14 1xs4 s ILE 73 Ca 0.62 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.40 1xs4 s ILE 73 Cb -0.46 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1xs4 s ILE 73 CO 0.46 0.36 -0.06 -0.69 0.00 0.00 0.00 174.94 175.01 1xs4 s VAL 74 N 0.99 2.99 0.04 2.92 1.01 -1.26 -1.09 120.40 126.01 1xs4 s VAL 74 Ca 0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1xs4 s VAL 74 Cb -0.13 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 1xs4 s VAL 74 CO 0.04 0.29 0.62 -0.76 0.00 0.00 0.00 175.10 175.29 1xs4 s LEU 75 N 1.37 4.48 0.00 3.92 1.43 -0.77 -5.05 118.68 124.06 1xs4 s LEU 75 Ca 0.02 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1xs4 s LEU 75 Cb -0.16 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1xs4 s LEU 75 CO -0.05 0.16 0.00 0.47 0.23 0.00 0.00 176.35 177.17 1xs4 n ASP 76 N 2.28 0.00 -4.69 2.29 8.00 -1.26 -4.95 116.55 118.21 1xs4 n ASP 76 Ca -0.07 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 1xs4 n ASP 76 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 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 -1.64 4.19 -1.76 -1.24 2.12 -1.26 -2.98 118.70 116.13 1xs4 s GLU 77 Ca 0.00 2.38 0.00 0.00 0.36 0.00 0.00 54.97 57.71 1xs4 s GLU 77 Cb 0.00 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1xs4 s GLU 77 CO 0.00 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 1xs4 n GLY 78 N 4.00 0.57 3.86 -1.50 0.00 -1.26 -4.98 105.19 105.88 1xs4 n GLY 78 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.35 3.85 0.17 1.61 2.02 -1.16 -5.11 118.70 115.73 1xs4 s GLU 79 Ca 0.00 0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.37 1xs4 s GLU 79 Cb 0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1xs4 s GLU 79 CO 0.00 0.47 -0.05 0.00 0.02 0.00 0.00 175.26 175.70 1xs4 s ALA 80 N -1.53 3.06 -0.22 5.21 0.00 -1.26 -4.59 121.76 122.44 1xs4 s ALA 80 Ca 0.38 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1xs4 s ALA 80 Cb -0.14 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1xs4 s ALA 80 CO 0.20 0.48 0.08 0.12 0.00 0.00 0.00 175.76 176.64 1xs4 s PHE 81 N -1.70 3.19 -0.44 0.00 5.36 -0.18 -4.95 117.98 119.27 1xs4 s PHE 81 Ca 0.26 -0.07 -0.18 0.00 -0.96 0.00 0.00 56.93 55.98 1xs4 s PHE 81 Cb -0.09 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1xs4 s PHE 81 CO 0.17 -0.04 0.50 0.71 -1.46 0.00 0.00 175.22 175.09 1xs4 s TYR 82 N 0.94 3.14 -0.42 10.12 1.51 -1.26 -0.92 117.35 130.45 1xs4 s TYR 82 Ca 0.04 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.49 1xs4 s TYR 82 Cb -0.14 -3.09 0.02 0.00 -0.11 0.00 0.00 41.96 38.64 1xs4 s TYR 82 CO 0.03 -0.79 0.73 -1.17 -1.11 0.00 0.00 175.55 173.24 1xs4 s LEU 83 N 2.30 4.28 0.10 -1.29 2.96 -0.40 -4.92 118.68 121.71 1xs4 s LEU 83 Ca 0.14 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1xs4 s LEU 83 Cb -0.17 -2.90 -0.06 0.00 0.50 0.00 0.00 46.19 43.56 1xs4 s LEU 83 CO 0.14 -0.81 0.39 -1.00 -1.32 0.00 0.00 176.35 173.75 1xs4 s HIS 84 N 3.08 3.54 0.18 5.38 3.76 -1.26 -1.81 115.29 128.16 1xs4 s HIS 84 Ca 0.28 0.70 -0.32 0.00 -0.15 0.00 0.00 55.06 55.58 1xs4 s HIS 84 Cb -0.13 -2.10 -0.16 0.00 1.11 0.00 0.00 32.58 31.30 1xs4 s HIS 84 CO 0.20 0.48 0.99 -2.30 -0.85 0.00 0.00 174.74 173.26 1xs4 n PRO 85 N 0.59 0.84 -1.09 8.40 -0.02 -1.26 -1.46 135.00 141.00 1xs4 n PRO 85 Ca -0.06 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 1xs4 n PRO 85 Cb 0.52 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.80 0.59 3.36 -1.23 0.00 -0.30 -5.00 105.19 104.41 1xs4 n GLY 86 Ca 0.15 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.51 3.38 -0.02 1.61 0.41 -0.53 -5.00 118.70 117.03 1xs4 s GLU 87 Ca 0.00 -0.67 -0.15 0.00 -0.41 0.00 0.00 54.97 53.74 1xs4 s GLU 87 Cb 0.00 -2.70 -0.05 0.00 -1.78 0.00 0.00 34.13 29.60 1xs4 s GLU 87 CO 0.00 0.14 0.40 -1.17 -0.49 0.00 0.00 175.26 174.14 1xs4 s LEU 88 N 0.54 4.44 0.03 1.80 2.96 -1.26 -3.54 118.68 123.66 1xs4 s LEU 88 Ca -0.08 0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1xs4 s LEU 88 Cb -0.15 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1xs4 s LEU 88 CO 0.04 0.29 0.18 0.00 -1.32 0.00 0.00 176.35 175.54 1xs4 s ALA 89 N -0.85 -0.34 0.00 5.97 0.00 -0.83 -4.67 121.76 121.04 1xs4 s ALA 89 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1xs4 s ALA 89 Cb -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1xs4 s ALA 89 CO 0.12 -0.34 0.13 -0.51 0.00 0.00 0.00 175.76 175.16 1xs4 s LEU 90 N -2.01 4.11 0.00 0.00 1.43 -0.34 -0.71 118.68 121.15 1xs4 s LEU 90 Ca -0.06 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1xs4 s LEU 90 Cb -0.02 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1xs4 s LEU 90 CO -0.03 0.25 0.00 0.00 0.23 0.00 0.00 176.35 176.80 1xs4 n ALA 91 N 0.97 0.00 -2.93 4.21 0.00 0.76 -1.83 120.51 121.68 1xs4 n ALA 91 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1xs4 n ALA 91 Cb 0.52 0.00 -0.08 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 -2.30 0.10 0.45 0.00 0.11 -1.24 -0.27 120.40 117.24 1xs4 s VAL 92 Ca 0.00 -0.82 -0.21 0.00 -2.93 0.00 0.00 61.98 58.02 1xs4 s VAL 92 Cb 0.00 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 1xs4 s VAL 92 CO 0.00 -0.45 1.01 0.42 -3.33 0.00 0.00 175.10 172.74 1xs4 s THR 93 N -2.33 4.00 0.19 5.04 -4.23 -0.14 -1.16 115.64 117.00 1xs4 s THR 93 Ca -0.07 1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.64 1xs4 s THR 93 Cb -0.02 -3.56 0.12 0.00 1.34 0.00 0.00 72.50 70.37 1xs4 s THR 93 CO -0.03 -0.21 1.78 0.25 -0.54 0.00 0.00 174.62 175.87 1xs4 h LEU 94 N 1.90 0.92 -9.55 4.79 5.85 -1.29 -3.40 115.31 114.53 1xs4 h LEU 94 Ca -0.49 -0.14 -0.52 0.00 0.84 0.00 0.00 57.88 57.57 1xs4 h LEU 94 Cb 1.20 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1xs4 h LEU 94 CO 0.60 0.80 0.32 -1.61 -0.34 0.00 0.00 178.44 178.22 1xs4 s GLU 95 N -5.67 4.65 0.15 1.25 8.01 -1.26 -4.75 118.70 121.07 1xs4 s GLU 95 Ca -0.13 1.37 -0.24 0.00 0.01 0.00 0.00 54.97 55.99 1xs4 s GLU 95 Cb 0.14 -3.38 -0.08 0.00 -4.31 0.00 0.00 34.13 26.50 1xs4 s GLU 95 CO 0.80 0.21 0.73 0.45 0.01 0.00 0.00 175.26 177.46 1xs4 s SER 96 N 0.06 7.30 -0.03 -0.19 0.15 0.12 -4.20 113.70 116.92 1xs4 s SER 96 Ca 0.46 1.55 0.07 0.00 0.70 0.00 0.00 55.95 58.73 1xs4 s SER 96 Cb -0.23 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1xs4 s SER 96 CO 0.28 0.21 -0.25 -0.69 1.20 0.00 0.00 173.24 174.00 1xs4 s VAL 97 N -1.17 1.95 -0.12 4.45 1.01 -0.72 -0.96 120.40 124.85 1xs4 s VAL 97 Ca 0.35 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1xs4 s VAL 97 Cb -0.22 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1xs4 s VAL 97 CO 0.24 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.91 1xs4 s THR 98 N -0.50 1.15 -0.01 3.92 2.01 -0.36 -1.27 115.64 120.59 1xs4 s THR 98 Ca 0.07 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1xs4 s THR 98 Cb -0.10 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1xs4 s THR 98 CO -0.00 0.39 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.53 1xs4 s LEU 99 N 1.57 3.39 1.03 4.42 1.43 -0.17 -2.24 118.68 128.11 1xs4 s LEU 99 Ca 0.03 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 1xs4 s LEU 99 Cb -0.13 -1.92 0.24 0.00 0.03 0.00 0.00 46.19 44.41 1xs4 s LEU 99 CO -0.08 0.29 1.33 -2.16 0.23 0.00 0.00 176.35 175.96 1xs4 s PRO 100 N -1.41 0.07 0.41 1.29 0.04 -1.26 -1.59 135.00 132.55 1xs4 s PRO 100 Ca 0.18 -0.49 0.28 0.00 0.04 0.00 0.00 61.00 61.01 1xs4 s PRO 100 Cb -0.11 -1.79 1.03 0.00 0.04 0.00 0.00 34.50 33.67 1xs4 s PRO 100 CO 0.08 -2.79 1.82 0.00 0.04 0.00 0.00 177.00 176.16 1xs4 h ALA 101 N -1.91 1.00 -0.57 8.56 0.00 -1.92 -2.67 119.26 121.74 1xs4 h ALA 101 Ca -0.44 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1xs4 h ALA 101 Cb 1.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1xs4 h ALA 101 CO 0.31 0.00 0.18 -0.40 0.00 0.00 0.00 179.25 179.34 1xs4 n ASP 102 N -2.76 3.43 -3.77 0.00 5.75 -1.26 -0.95 116.55 117.00 1xs4 n ASP 102 Ca 0.02 -3.52 -0.13 0.00 -0.01 0.00 0.00 54.79 51.15 1xs4 n ASP 102 Cb 0.33 -0.69 -0.11 0.00 -1.03 0.00 0.00 41.12 39.62 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 -3.15 0.83 0.07 -2.12 2.96 -1.19 -1.49 118.68 114.59 1xs4 s LEU 103 Ca 0.49 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 55.06 1xs4 s LEU 103 Cb 0.42 0.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.03 1xs4 s LEU 103 CO 0.06 -0.11 -0.24 0.54 -1.32 0.00 0.00 176.35 175.29 1xs4 s VAL 104 N 0.33 1.95 0.26 1.68 0.11 -0.66 -2.84 120.40 121.23 1xs4 s VAL 104 Ca -0.01 -1.45 0.11 0.00 -2.93 0.00 0.00 61.98 57.70 1xs4 s VAL 104 Cb -0.03 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.06 1xs4 s VAL 104 CO -0.01 0.18 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.96 1xs4 s GLY 105 N -1.53 1.79 -0.03 6.54 0.00 0.16 -1.18 107.32 113.06 1xs4 s GLY 105 Ca 0.10 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1xs4 s GLY 105 CO 0.03 -1.83 -0.00 -0.98 0.00 0.00 0.00 173.10 170.32 1xs4 s TRP 106 N -2.30 0.36 -0.23 1.90 0.52 -0.38 -1.29 118.94 117.52 1xs4 s TRP 106 Ca 0.29 -0.02 -0.18 0.00 0.02 0.00 0.00 56.10 56.22 1xs4 s TRP 106 Cb -0.06 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.78 1xs4 s TRP 106 CO 0.16 -0.14 0.49 -1.17 0.02 0.00 0.00 176.95 176.30 1xs4 s LEU 107 N 1.08 4.10 0.14 2.99 2.96 -0.27 -1.60 118.68 128.08 1xs4 s LEU 107 Ca -0.09 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 1xs4 s LEU 107 Cb -0.14 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1xs4 s LEU 107 CO -0.02 -0.21 0.18 -1.81 -1.32 0.00 0.00 176.35 173.17 1xs4 s ASP 108 N 1.34 5.84 0.00 3.68 1.01 0.42 -4.85 116.67 124.11 1xs4 s ASP 108 Ca 0.21 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1xs4 s ASP 108 Cb -0.15 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.14 1xs4 s ASP 108 CO 0.09 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.16 1xs4 n GLY 109 N -0.27 0.99 2.95 0.21 0.00 -1.26 -1.27 105.19 106.54 1xs4 n GLY 109 Ca -0.08 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 0.47 0.11 0.38 1.61 0.52 -1.26 -3.96 118.95 116.82 1xs4 s ARG 110 Ca 0.00 0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.31 1xs4 s ARG 110 Cb 0.00 0.05 0.80 0.00 0.52 0.00 0.00 34.95 36.33 1xs4 s ARG 110 CO 0.00 -0.02 1.99 1.03 0.02 0.00 0.00 175.30 178.32 1xs4 h SER 111 N 5.87 0.58 0.36 0.23 0.87 -1.98 0.93 113.55 120.41 1xs4 h SER 111 Ca -0.25 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1xs4 h SER 111 Cb 1.20 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1xs4 h SER 111 CO 0.46 0.39 -0.26 0.28 -0.53 0.00 0.00 176.83 177.16 1xs4 h SER 112 N 0.67 0.00 0.17 6.23 0.02 -1.99 -2.09 113.55 116.56 1xs4 h SER 112 Ca 0.26 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.86 1xs4 h SER 112 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1xs4 h SER 112 CO -0.08 0.26 -1.82 -0.07 -1.14 0.00 0.00 176.83 173.99 1xs4 h LEU 113 N 0.00 0.57 -1.05 5.07 3.38 -1.49 -3.34 115.31 118.46 1xs4 h LEU 113 Ca -0.00 -0.95 0.14 0.00 0.09 0.00 0.00 57.88 57.17 1xs4 h LEU 113 Cb 0.51 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1xs4 h LEU 113 CO 0.03 1.81 0.62 0.00 0.09 0.00 0.00 178.44 181.00 1xs4 h ALA 114 N 0.10 1.61 0.00 1.53 0.00 -0.71 -0.34 119.26 121.46 1xs4 h ALA 114 Ca -0.37 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xs4 h ALA 114 Cb 2.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1xs4 h ALA 114 CO 0.16 0.10 0.00 0.54 0.00 0.00 0.00 179.25 180.05 1xs4 n ARG 115 N -4.65 0.40 -0.07 0.00 1.74 -0.80 -1.14 116.66 112.14 1xs4 n ARG 115 Ca 0.20 0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.36 1xs4 n ARG 115 Cb 0.44 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.23 2.32 0.00 0.55 4.77 -0.21 -5.02 117.00 118.19 1xs4 n LEU 116 Ca 0.12 -1.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1xs4 n LEU 116 Cb 0.16 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xs4 n LEU 116 CO 0.17 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1xs4 n GLY 117 N -0.07 0.79 3.87 -0.72 0.00 -0.29 -4.09 105.19 104.68 1xs4 n GLY 117 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 2.35 0.00 0.99 2.96 -0.79 -1.32 118.68 122.87 1xs4 s LEU 118 Ca 0.00 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1xs4 s LEU 118 Cb 0.00 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1xs4 s LEU 118 CO 0.00 -2.95 0.00 1.33 -1.32 0.00 0.00 176.35 173.41 1xs4 n VAL 120 N -3.93 0.00 -3.89 1.68 0.24 -1.26 -4.03 118.33 107.14 1xs4 n VAL 120 Ca 0.15 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.35 1xs4 n VAL 120 Cb 0.59 0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.22 -0.51 6.34 -3.43 -1.13 -3.47 115.29 113.30 1xs4 s HIS 121 Ca 0.00 -0.58 0.03 0.00 -0.80 0.00 0.00 55.06 53.72 1xs4 s HIS 121 Cb 0.00 0.14 0.15 0.00 -1.43 0.00 0.00 32.58 31.44 1xs4 s HIS 121 CO 0.00 -0.83 0.32 0.08 -2.00 0.00 0.00 174.74 172.31 1xs4 s VAL 122 N -3.95 1.75 -0.68 -5.38 1.01 -1.26 -4.84 120.40 107.06 1xs4 s VAL 122 Ca 0.15 -3.11 -0.06 0.00 0.00 0.00 0.00 61.98 58.97 1xs4 s VAL 122 Cb 0.01 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1xs4 s VAL 122 CO 0.01 -0.97 0.11 0.35 0.00 0.00 0.00 175.10 174.59 1xs4 n THR 123 N 2.97 -0.72 -3.23 3.92 -2.24 -1.26 -4.93 114.28 108.79 1xs4 n THR 123 Ca 0.15 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1xs4 n THR 123 Cb 0.37 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -3.87 -1.82 -0.01 6.98 0.00 -1.26 -5.04 121.76 116.74 1xs4 s ALA 124 Ca 0.08 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1xs4 s ALA 124 Cb -0.04 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1xs4 s ALA 124 CO 0.47 -1.71 0.82 -2.39 0.00 0.00 0.00 175.76 172.95 1xs4 n HIS 125 N 5.39 0.00 -3.29 0.00 -0.00 -1.26 -4.86 115.22 111.20 1xs4 n HIS 125 Ca 0.02 -0.07 -0.38 0.00 -0.00 0.00 0.00 57.72 57.29 1xs4 n HIS 125 Cb 0.52 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.41 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 -0.19 4.34 -0.34 -1.40 3.52 -1.26 -1.11 118.95 122.51 1xs4 s ARG 126 Ca 0.02 0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 56.01 1xs4 s ARG 126 Cb 0.01 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1xs4 s ARG 126 CO 0.00 0.14 0.15 0.42 -0.81 0.00 0.00 175.30 175.20 1xs4 s ILE 127 N 0.67 4.29 0.72 4.11 -1.09 -0.41 -4.99 121.20 124.49 1xs4 s ILE 127 Ca 0.27 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.75 1xs4 s ILE 127 Cb -0.15 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1xs4 s ILE 127 CO 0.11 -0.12 1.07 -1.81 -1.23 0.00 0.00 174.94 172.95 1xs4 s ASP 128 N 1.52 5.16 0.27 3.58 1.01 -1.26 -0.67 116.67 126.28 1xs4 s ASP 128 Ca 0.02 1.63 -0.30 0.00 0.71 0.00 0.00 52.55 54.61 1xs4 s ASP 128 Cb -0.19 -2.47 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 1xs4 s ASP 128 CO 0.05 -1.59 1.61 -2.16 0.21 0.00 0.00 175.17 173.30 1xs4 s PRO 129 N -5.03 4.13 0.00 8.23 0.04 -1.13 -1.65 135.00 139.59 1xs4 s PRO 129 Ca 0.59 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.19 1xs4 s PRO 129 Cb -0.15 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1xs4 s PRO 129 CO 0.55 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1xs4 n GLY 130 N 2.62 1.72 3.72 0.56 0.00 -0.62 -0.57 105.19 112.62 1xs4 n GLY 130 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 2.11 -3.55 1.61 -0.00 -0.66 -3.32 117.44 111.63 1xs4 n TRP 131 Ca 0.00 0.44 -0.07 0.00 -0.00 0.00 0.00 57.50 57.87 1xs4 n TRP 131 Cb 0.00 -2.34 -0.08 0.00 -0.00 0.00 0.00 31.31 28.89 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 -0.88 -0.29 0.00 5.87 0.15 -1.25 -1.00 113.70 116.30 1xs4 s SER 132 Ca 0.70 0.86 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1xs4 s SER 132 Cb -0.43 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1xs4 s SER 132 CO 0.51 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1xs4 n GLY 133 N 5.39 2.48 3.76 9.45 0.00 -0.39 -4.08 105.19 121.80 1xs4 n GLY 133 Ca -0.07 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.93 5.33 -0.00 0.00 1.01 -1.26 -4.77 121.20 119.57 1xs4 s ILE 135 Ca 0.72 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 1xs4 s ILE 135 Cb -0.25 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1xs4 s ILE 135 CO 0.34 0.37 0.92 -0.69 0.00 0.00 0.00 174.94 175.88 1xs4 s VAL 136 N 0.91 4.87 -0.14 2.92 1.01 -1.26 -0.97 120.40 127.74 1xs4 s VAL 136 Ca 0.07 1.94 -0.06 0.00 0.00 0.00 0.00 61.98 63.94 1xs4 s VAL 136 Cb -0.13 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1xs4 s VAL 136 CO 0.03 0.19 0.06 -0.76 0.00 0.00 0.00 175.10 174.62 1xs4 s LEU 137 N 0.86 3.85 -0.48 3.92 1.43 0.63 -4.93 118.68 123.95 1xs4 s LEU 137 Ca 0.49 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1xs4 s LEU 137 Cb -0.21 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.19 1xs4 s LEU 137 CO 0.26 0.28 0.36 0.00 0.23 0.00 0.00 176.35 177.48 1xs4 s ALA 138 N -0.25 3.42 0.10 4.21 0.00 -1.23 -0.17 121.76 127.84 1xs4 s ALA 138 Ca 0.08 -2.51 -0.19 0.00 0.00 0.00 0.00 51.96 49.34 1xs4 s ALA 138 Cb -0.12 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 1xs4 s ALA 138 CO 0.02 -1.90 0.59 -0.06 0.00 0.00 0.00 175.76 174.40 1xs4 s PHE 139 N 1.40 3.78 -0.04 0.00 2.99 0.11 -2.85 117.98 123.36 1xs4 s PHE 139 Ca 0.05 1.27 -0.01 0.00 0.00 0.00 0.00 56.93 58.24 1xs4 s PHE 139 Cb -0.26 -2.50 0.03 0.00 0.00 0.00 0.00 43.02 40.29 1xs4 s PHE 139 CO 0.00 0.55 0.09 -0.47 -0.00 0.00 0.00 175.22 175.38 1xs4 s TYR 140 N -1.18 -0.06 -0.52 0.36 5.04 -1.26 -1.96 117.35 117.77 1xs4 s TYR 140 Ca 0.31 0.30 -0.19 0.00 -2.44 0.00 0.00 57.07 55.06 1xs4 s TYR 140 Cb -0.19 -0.18 0.06 0.00 0.35 0.00 0.00 41.96 42.01 1xs4 s TYR 140 CO 0.20 -0.13 0.63 1.21 -1.34 0.00 0.00 175.55 176.12 1xs4 s ASN 141 N 1.18 6.22 0.00 4.32 3.84 -1.23 -4.41 114.94 124.85 1xs4 s ASN 141 Ca -0.08 -0.99 0.26 0.00 0.21 0.00 0.00 52.86 52.25 1xs4 s ASN 141 Cb -0.12 -2.29 0.68 0.00 -0.55 0.00 0.00 41.25 38.97 1xs4 s ASN 141 CO -0.04 -0.92 1.54 -1.54 -2.79 0.00 0.00 177.10 173.34 1xs4 n SER 142 N 6.18 2.16 -2.12 -4.21 3.41 -0.44 -1.15 113.62 117.46 1xs4 n SER 142 Ca -0.07 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1xs4 n SER 142 Cb 0.45 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.25 -0.36 0.01 5.00 0.00 -1.26 -4.91 105.19 104.93 1xs4 n GLY 143 Ca 0.17 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.65 0.55 -5.04 1.61 4.76 -1.26 -4.70 118.16 113.42 1xs4 n LYS 144 Ca 0.00 -0.15 -0.32 0.00 -2.87 0.00 0.00 58.31 54.97 1xs4 n LYS 144 Cb 0.00 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.55 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 -4.15 2.39 0.52 -0.35 1.02 -1.26 -4.92 118.68 111.93 1xs4 s LEU 145 Ca -0.04 -0.37 -0.23 0.00 0.02 0.00 0.00 54.13 53.51 1xs4 s LEU 145 Cb 0.14 -1.44 -0.06 0.00 0.02 0.00 0.00 46.19 44.85 1xs4 s LEU 145 CO 0.87 0.32 1.30 -2.65 0.02 0.00 0.00 176.35 176.21 1xs4 n PRO 146 N 2.24 1.70 -4.92 1.29 -0.02 -1.26 -4.56 135.00 129.46 1xs4 n PRO 146 Ca -0.17 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1xs4 n PRO 146 Cb 0.52 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 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 -2.79 1.93 -0.20 2.45 1.43 -0.75 -4.97 118.68 115.78 1xs4 s LEU 147 Ca 0.69 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 1xs4 s LEU 147 Cb -0.44 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1xs4 s LEU 147 CO 0.52 0.10 0.81 0.00 0.23 0.00 0.00 176.35 178.01 1xs4 s ALA 148 N 0.53 3.57 -0.19 4.21 0.00 -1.26 -1.27 121.76 127.36 1xs4 s ALA 148 Ca -0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1xs4 s ALA 148 Cb -0.17 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1xs4 s ALA 148 CO 0.06 -0.75 0.05 -0.51 0.00 0.00 0.00 175.76 174.60 1xs4 s LEU 149 N 2.41 3.65 -0.06 0.00 1.43 -0.10 -4.95 118.68 121.05 1xs4 s LEU 149 Ca 0.36 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1xs4 s LEU 149 Cb -0.16 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1xs4 s LEU 149 CO 0.10 0.14 -0.21 -0.13 0.23 0.00 0.00 176.35 176.48 1xs4 s ARG 150 N 0.58 2.30 0.22 1.70 0.52 -1.26 -1.01 118.95 122.00 1xs4 s ARG 150 Ca 0.02 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.16 1xs4 s ARG 150 Cb -0.13 -1.92 -0.15 0.00 0.52 0.00 0.00 34.95 33.27 1xs4 s ARG 150 CO 0.02 0.28 1.06 -2.30 0.02 0.00 0.00 175.30 174.37 1xs4 n PRO 151 N 3.16 1.15 -0.17 3.54 -0.02 -1.26 -4.81 135.00 136.60 1xs4 n PRO 151 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1xs4 n PRO 151 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.71 0.78 3.38 -1.23 0.00 0.90 -4.96 105.19 105.76 1xs4 n GLY 152 Ca 0.13 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.26 3.08 -0.00 0.99 1.43 -1.26 -4.60 118.68 118.05 1xs4 s LEU 154 Ca 0.00 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1xs4 s LEU 154 Cb 0.00 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1xs4 s LEU 154 CO 0.00 0.01 0.01 0.00 0.23 0.00 0.00 176.35 176.60 1xs4 n ILE 155 N 4.58 0.01 -3.23 -0.59 0.13 -0.60 -4.90 119.36 114.76 1xs4 n ILE 155 Ca -0.18 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.46 1xs4 n ILE 155 Cb 0.51 0.21 0.00 0.00 -0.84 0.00 0.00 39.64 39.52 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 2.56 1.19 3.18 4.50 0.00 -1.13 -4.33 105.19 111.16 1xs4 n GLY 156 Ca -0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.50 -0.06 4.61 0.00 -0.40 -1.10 121.76 123.32 1xs4 s ALA 157 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1xs4 s ALA 157 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1xs4 s ALA 157 CO 0.00 -0.28 -0.22 -0.51 0.00 0.00 0.00 175.76 174.75 1xs4 s LEU 158 N -1.62 2.26 0.28 0.00 1.43 0.11 -0.44 118.68 120.71 1xs4 s LEU 158 Ca -0.11 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1xs4 s LEU 158 Cb -0.05 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1xs4 s LEU 158 CO 0.01 0.26 -0.07 -0.94 0.23 0.00 0.00 176.35 175.83 1xs4 s SER 159 N -0.25 4.13 -0.00 2.29 1.04 -0.63 -0.96 113.70 119.32 1xs4 s SER 159 Ca -0.00 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.60 1xs4 s SER 159 Cb -0.13 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 1xs4 s SER 159 CO 0.03 -0.02 -0.06 -0.36 0.98 0.00 0.00 173.24 173.80 1xs4 s PHE 160 N -2.42 0.57 -0.13 5.02 0.40 -1.26 -1.25 117.98 118.90 1xs4 s PHE 160 Ca 0.31 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1xs4 s PHE 160 Cb -0.05 -0.37 0.04 0.00 0.51 0.00 0.00 43.02 43.16 1xs4 s PHE 160 CO 0.18 -0.01 0.02 -2.00 0.70 0.00 0.00 175.22 174.11 1xs4 s GLU 161 N -0.20 0.65 0.51 0.44 2.12 -0.33 -1.56 118.70 120.33 1xs4 s GLU 161 Ca 0.02 -0.16 -0.23 0.00 0.36 0.00 0.00 54.97 54.96 1xs4 s GLU 161 Cb -0.03 -1.57 -0.06 0.00 0.26 0.00 0.00 34.13 32.73 1xs4 s GLU 161 CO -0.00 -0.47 1.40 -2.14 -0.54 0.00 0.00 175.26 173.50 1xs4 s PRO 162 N 1.91 3.32 0.49 4.30 0.02 -1.26 -1.65 135.00 142.14 1xs4 s PRO 162 Ca 0.02 2.34 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1xs4 s PRO 162 Cb -0.15 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.97 1xs4 s PRO 162 CO -0.07 -1.08 0.73 -0.51 -0.33 0.00 0.00 177.00 175.74 1xs4 s LEU 163 N -3.24 3.52 0.41 -5.54 1.43 -0.56 -4.86 118.68 109.84 1xs4 s LEU 163 Ca 0.68 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 54.23 1xs4 s LEU 163 Cb -0.42 -3.22 0.86 0.00 0.03 0.00 0.00 46.19 43.43 1xs4 s LEU 163 CO 0.52 -0.82 1.98 0.77 0.23 0.00 0.00 176.35 179.03 1xs4 h SER 164 N 0.24 0.27 -2.19 2.29 4.64 -1.95 -3.45 113.55 113.39 1xs4 h SER 164 Ca -0.46 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 1xs4 h SER 164 Cb 1.26 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1xs4 h SER 164 CO 0.58 0.33 0.11 0.61 -0.87 0.00 0.00 176.83 177.58 1xs4 n GLY 165 N -1.11 1.64 3.71 -0.77 0.00 -1.26 -5.13 105.19 102.27 1xs4 n GLY 165 Ca -0.00 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.11 4.36 0.29 1.61 0.04 -1.26 -4.61 135.00 133.31 1xs4 s PRO 166 Ca 0.10 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1xs4 s PRO 166 Cb -0.02 -3.35 -0.11 0.00 0.04 0.00 0.00 34.50 31.06 1xs4 s PRO 166 CO 0.07 -0.39 1.52 0.00 0.04 0.00 0.00 177.00 178.24 1xs4 s ALA 167 N 1.32 3.68 0.20 8.56 0.00 -0.13 -4.89 121.76 130.50 1xs4 s ALA 167 Ca 0.62 1.48 0.11 0.00 0.00 0.00 0.00 51.96 54.16 1xs4 s ALA 167 Cb -0.33 -3.61 0.24 0.00 0.00 0.00 0.00 23.12 19.43 1xs4 s ALA 167 CO 0.29 -0.89 1.53 0.28 0.00 0.00 0.00 175.76 176.97 1xs4 h VAL 168 N 3.38 1.41 -2.16 0.00 2.07 -1.94 -3.36 116.25 115.65 1xs4 h VAL 168 Ca -0.47 -2.38 -0.58 0.00 0.82 0.00 0.00 66.70 64.09 1xs4 h VAL 168 Cb 1.22 2.31 -0.41 0.00 -1.52 0.00 0.00 31.29 32.89 1xs4 h VAL 168 CO 0.76 0.66 -0.74 0.54 0.02 0.00 0.00 177.57 178.82 1xs4 n ARG 169 N -3.62 2.23 -1.32 1.57 1.74 -1.26 -5.05 116.66 110.95 1xs4 n ARG 169 Ca -0.01 -4.35 -0.29 0.00 -0.77 0.00 0.00 57.85 52.43 1xs4 n ARG 169 Cb 0.69 -2.02 0.18 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.44 0.29 0.29 5.56 0.04 -1.26 -4.75 135.00 132.74 1xs4 s PRO 170 Ca 0.41 0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1xs4 s PRO 170 Cb 0.19 -1.74 0.45 0.00 0.04 0.00 0.00 34.50 33.44 1xs4 s PRO 170 CO -0.06 -2.76 1.79 -0.92 0.04 0.00 0.00 177.00 175.09 1xs4 h TYR 171 N -1.91 0.67 0.00 0.56 3.20 -1.07 -2.48 116.97 115.95 1xs4 h TYR 171 Ca -0.51 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1xs4 h TYR 171 Cb 1.32 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1xs4 h TYR 171 CO -0.31 0.67 0.00 0.27 -1.64 0.00 0.00 178.16 177.16 1xs4 n ASN 172 N -4.22 0.46 -0.00 -2.11 6.94 -1.21 -3.36 115.26 111.76 1xs4 n ASN 172 Ca 0.02 0.61 0.03 0.00 -0.02 0.00 0.00 54.58 55.21 1xs4 n ASN 172 Cb 0.30 -0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 36.97 1xs4 n ASN 172 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xs4 n ARG 173 N -2.00 3.10 -2.28 -3.83 1.74 -1.01 -5.02 116.66 107.36 1xs4 n ARG 173 Ca 0.03 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1xs4 n ARG 173 Cb 0.23 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 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 -1.93 4.26 0.21 5.56 3.52 -0.97 -4.95 118.95 124.65 1xs4 s ARG 174 Ca 0.01 1.87 -0.10 0.00 -0.13 0.00 0.00 55.73 57.37 1xs4 s ARG 174 Cb 0.05 -3.71 0.18 0.00 -1.56 0.00 0.00 34.95 29.90 1xs4 s ARG 174 CO 0.27 -0.65 1.87 1.49 -0.81 0.00 0.00 175.30 177.47 1xs4 h GLU 175 N 8.23 0.93 -0.64 5.12 4.81 -1.93 -2.92 114.58 128.18 1xs4 h GLU 175 Ca -0.34 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1xs4 h GLU 175 Cb 1.15 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1xs4 h GLU 175 CO 0.93 0.61 0.00 -0.40 -0.73 0.00 0.00 179.01 179.42 1xs4 n ASP 176 N -4.60 4.88 -4.76 1.04 5.75 -1.26 -4.96 116.55 112.64 1xs4 n ASP 176 Ca 0.07 -2.59 -0.41 0.00 -0.01 0.00 0.00 54.79 51.86 1xs4 n ASP 176 Cb 0.05 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.51 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 -2.14 3.51 -0.11 2.12 0.00 -1.11 -4.96 121.76 119.06 1xs4 s ALA 177 Ca 0.49 1.19 0.16 0.00 0.00 0.00 0.00 51.96 53.80 1xs4 s ALA 177 Cb 0.34 -3.47 -0.23 0.00 0.00 0.00 0.00 23.12 19.77 1xs4 s ALA 177 CO 0.20 -0.57 0.47 1.63 0.00 0.00 0.00 175.76 177.49 1xs4 n LYS 178 N 1.43 0.65 -0.83 0.00 5.02 -1.26 -4.64 118.16 118.53 1xs4 n LYS 178 Ca 0.02 0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 1xs4 n LYS 178 Cb 0.42 -1.68 0.17 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.86 0.18 -2.17 2.13 4.02 -1.26 -5.03 117.16 112.16 1xs4 n TYR 179 Ca -0.21 -1.41 -0.39 0.00 -0.01 0.00 0.00 57.90 55.88 1xs4 n TYR 179 Cb 1.03 -0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 40.09 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 -2.82 4.04 -0.83 -0.72 0.52 -1.26 -4.07 118.95 113.81 1xs4 s ARG 180 Ca 0.38 2.01 -0.01 0.00 -0.52 0.00 0.00 55.73 57.59 1xs4 s ARG 180 Cb 0.37 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 1xs4 s ARG 180 CO -0.08 -0.38 0.70 -1.71 0.02 0.00 0.00 175.30 173.85 1xs4 n ASN 181 N 0.17 -2.67 -4.34 0.23 5.15 -1.26 -4.98 115.26 107.57 1xs4 n ASN 181 Ca 0.04 -0.45 -0.46 0.00 -0.60 0.00 0.00 54.58 53.11 1xs4 n ASN 181 Cb 0.45 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 35.86 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 -4.77 3.25 -0.00 1.20 0.74 -1.26 -4.86 119.66 113.96 1xs4 s GLN 182 Ca 0.06 -1.88 0.04 0.00 0.05 0.00 0.00 55.36 53.64 1xs4 s GLN 182 Cb -0.01 -4.38 -0.25 0.00 1.10 0.00 0.00 33.01 29.47 1xs4 s GLN 182 CO 0.52 -1.40 0.83 1.96 -0.55 0.00 0.00 175.29 176.65 1xs4 h GLN 183 N 8.59 0.12 0.00 1.67 4.20 -1.93 -2.89 115.11 124.86 1xs4 h GLN 183 Ca -0.13 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1xs4 h GLN 183 Cb 1.07 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1xs4 h GLN 183 CO 0.96 0.89 0.00 0.41 -0.67 0.00 0.00 178.83 180.42 1xs4 n GLY 184 N 1.60 5.43 3.08 3.46 0.00 -1.26 -4.89 105.19 112.61 1xs4 n GLY 184 Ca -0.15 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 4.78 -2.09 4.61 0.00 -1.26 -4.78 120.51 118.76 1xs4 n ALA 185 Ca 0.00 -4.07 -0.41 0.00 0.00 0.00 0.00 53.44 48.96 1xs4 n ALA 185 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 19.45 16.11 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 2.31 3.53 0.81 0.00 1.01 -1.26 -4.73 120.40 122.05 1xs4 s VAL 186 Ca 0.46 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 1xs4 s VAL 186 Cb 0.08 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.74 1xs4 s VAL 186 CO -0.01 0.18 1.12 0.00 0.00 0.00 0.00 175.10 176.38 1xs4 s ALA 187 N 0.17 2.32 0.15 5.51 0.00 -1.26 -4.96 121.76 123.69 1xs4 s ALA 187 Ca 0.55 -0.35 -0.34 0.00 0.00 0.00 0.00 51.96 51.81 1xs4 s ALA 187 Cb -0.33 -3.06 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1xs4 s ALA 187 CO 0.36 -1.73 1.51 0.45 0.00 0.00 0.00 175.76 176.35 1xs4 n SER 188 N -3.41 2.73 -1.87 0.00 2.88 -1.26 -4.89 113.62 107.81 1xs4 n SER 188 Ca 0.07 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.60 1xs4 n SER 188 Cb 0.58 -1.37 0.25 0.00 -0.75 0.00 0.00 64.21 62.91 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 3.10 2.89 -0.52 -1.46 1.74 -1.26 -4.76 116.66 116.38 1xs4 n ARG 189 Ca 0.17 -3.07 0.42 0.00 -0.77 0.00 0.00 57.85 54.60 1xs4 n ARG 189 Cb 0.27 -2.12 0.73 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.79 0.15 0.00 0.55 6.09 -1.96 -1.44 117.51 122.70 1xs4 h ILE 190 Ca 0.37 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.84 1xs4 h ILE 190 Cb 2.35 0.09 0.00 0.00 0.47 0.00 0.00 36.82 39.73 1xs4 h ILE 190 CO 0.77 0.01 0.12 -2.24 -3.07 0.00 0.00 178.15 173.74 1xs4 h ASP 191 N 0.05 0.00 -0.28 2.19 2.03 -1.87 -2.69 116.42 115.85 1xs4 h ASP 191 Ca 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.11 1xs4 h ASP 191 Cb 2.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.42 1xs4 h ASP 191 CO -0.18 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.32 1xs4 n LYS 192 N -2.31 2.16 0.00 4.15 5.02 -0.54 -4.80 118.16 121.85 1xs4 n LYS 192 Ca -0.01 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.52 1xs4 n LYS 192 Cb 0.15 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1xs4 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63