#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 0.88 0.55 1.43 -0.49 -5.01 118.68 120.41 1xs4 s LEU 3 Ca 0.00 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 1xs4 s LEU 3 Cb 0.00 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.74 1xs4 s LEU 3 CO 0.00 -0.67 1.13 0.00 0.23 0.00 0.00 176.35 177.04 1xs4 h ASP 5 N -1.37 0.05 -0.74 0.00 3.04 -1.30 -0.87 116.42 115.23 1xs4 h ASP 5 Ca -0.49 0.07 0.05 0.00 -3.24 0.00 0.00 57.03 53.42 1xs4 h ASP 5 Cb 1.32 0.09 -0.05 0.00 -1.04 0.00 0.00 39.33 39.64 1xs4 h ASP 5 CO 0.62 0.06 0.44 -0.09 -2.04 0.00 0.00 179.24 178.23 1xs4 h ARG 6 N 0.26 0.80 -0.39 4.15 2.43 -1.94 -1.86 114.38 117.82 1xs4 h ARG 6 Ca 0.22 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.18 1xs4 h ARG 6 Cb 0.27 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xs4 h ARG 6 CO -0.27 0.53 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.90 1xs4 h ASP 7 N 0.82 1.01 -0.74 -3.80 3.32 -1.81 -1.81 116.42 113.41 1xs4 h ASP 7 Ca 0.32 -0.46 0.11 0.00 0.02 0.00 0.00 57.03 57.02 1xs4 h ASP 7 Cb 0.14 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 39.33 1xs4 h ASP 7 CO -0.16 1.26 0.35 0.40 -1.72 0.00 0.00 179.24 179.38 1xs4 h ILE 8 N 0.78 0.80 -0.58 0.35 2.04 -0.61 0.40 117.51 120.68 1xs4 h ILE 8 Ca 0.06 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1xs4 h ILE 8 Cb 0.97 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xs4 h ILE 8 CO 0.09 0.11 0.06 -0.33 0.00 0.00 0.00 178.15 178.08 1xs4 h GLU 9 N 0.58 0.96 -0.24 2.37 5.08 -1.24 -1.23 114.58 120.85 1xs4 h GLU 9 Ca 0.38 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1xs4 h GLU 9 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xs4 h GLU 9 CO -0.31 0.91 0.06 0.00 -1.00 0.00 0.00 179.01 178.68 1xs4 h ALA 10 N 1.16 0.31 -0.31 3.43 0.00 -0.06 0.11 119.26 123.90 1xs4 h ALA 10 Ca 0.18 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xs4 h ALA 10 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xs4 h ALA 10 CO 0.02 -0.05 -0.15 -1.49 0.00 0.00 0.00 179.25 177.58 1xs4 h TRP 11 N 0.21 0.60 -0.46 0.00 4.06 -0.23 -1.41 115.95 118.73 1xs4 h TRP 11 Ca 0.08 -0.10 -0.12 0.00 2.06 0.00 0.00 58.89 60.80 1xs4 h TRP 11 Cb 0.26 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1xs4 h TRP 11 CO 0.01 0.68 -0.20 -0.07 -3.56 0.00 0.00 178.44 175.29 1xs4 h LEU 12 N 0.50 0.94 -0.59 -4.49 3.38 -0.81 0.52 115.31 114.76 1xs4 h LEU 12 Ca 0.09 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1xs4 h LEU 12 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xs4 h LEU 12 CO 0.04 1.11 -0.26 0.44 0.09 0.00 0.00 178.44 179.86 1xs4 h ASP 13 N 0.80 0.87 -0.16 -0.43 3.32 -0.45 -2.84 116.42 117.53 1xs4 h ASP 13 Ca 0.11 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1xs4 h ASP 13 Cb 0.76 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xs4 h ASP 13 CO 0.06 1.08 0.00 -0.62 -1.72 0.00 0.00 179.24 178.04 1xs4 n GLU 14 N -4.10 1.65 -2.02 3.56 1.02 -0.56 -4.91 120.64 115.28 1xs4 n GLU 14 Ca -0.00 -0.97 -0.18 0.00 -0.02 0.00 0.00 57.16 55.98 1xs4 n GLU 14 Cb 0.46 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 1xs4 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs4 n GLY 15 N 1.08 0.49 0.17 0.62 0.00 -1.02 -4.92 105.19 101.61 1xs4 n GLY 15 Ca 0.15 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.41 -4.96 1.61 3.08 -0.22 -3.45 114.38 110.86 1xs4 h ARG 16 Ca -0.41 -0.35 -0.46 0.00 0.07 0.00 0.00 59.98 58.84 1xs4 h ARG 16 Cb 1.27 0.08 -0.14 0.00 0.08 0.00 0.00 29.97 31.26 1xs4 h ARG 16 CO 0.52 0.99 -0.55 -0.48 -1.07 0.00 0.00 179.97 179.38 1xs4 s LEU 17 N -7.94 1.81 -0.11 3.04 2.34 -1.16 -3.99 118.68 112.67 1xs4 s LEU 17 Ca -0.06 -1.58 -0.07 0.00 0.06 0.00 0.00 54.13 52.49 1xs4 s LEU 17 Cb 0.10 0.07 0.04 0.00 -0.56 0.00 0.00 46.19 45.85 1xs4 s LEU 17 CO 0.84 -0.88 0.26 -0.55 -1.06 0.00 0.00 176.35 174.97 1xs4 s SER 18 N -3.44 -0.29 -0.17 1.48 0.15 -0.60 -4.31 113.70 106.52 1xs4 s SER 18 Ca 0.33 0.55 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 1xs4 s SER 18 Cb 0.05 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.88 1xs4 s SER 18 CO 0.17 -0.15 0.01 -0.63 1.20 0.00 0.00 173.24 173.84 1xs4 s ILE 19 N 0.96 0.63 -0.14 6.45 1.01 -1.26 -1.13 121.20 127.71 1xs4 s ILE 19 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1xs4 s ILE 19 Cb -0.08 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1xs4 s ILE 19 CO -0.06 -0.06 -0.21 0.20 0.00 0.00 0.00 174.94 174.81 1xs4 s ASN 20 N 1.83 3.23 0.60 3.58 -0.87 -0.50 -1.53 114.94 121.27 1xs4 s ASN 20 Ca 0.00 -0.57 -0.16 0.00 -1.57 0.00 0.00 52.86 50.55 1xs4 s ASN 20 Cb -0.16 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.25 39.57 1xs4 s ASN 20 CO -0.07 0.08 1.08 -2.16 -2.57 0.00 0.00 177.10 173.46 1xs4 s PRO 21 N 0.81 3.20 -0.13 -0.60 0.04 -1.26 -0.52 135.00 136.54 1xs4 s PRO 21 Ca -0.07 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1xs4 s PRO 21 Cb -0.15 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1xs4 s PRO 21 CO -0.01 -0.92 1.24 0.50 0.04 0.00 0.00 177.00 177.84 1xs4 s ARG 22 N -3.91 4.27 0.59 4.56 3.52 -0.58 -4.90 118.95 122.49 1xs4 s ARG 22 Ca 0.66 1.66 -0.18 0.00 -0.13 0.00 0.00 55.73 57.74 1xs4 s ARG 22 Cb -0.18 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 1xs4 s ARG 22 CO 0.36 -0.63 1.17 -2.14 -0.81 0.00 0.00 175.30 173.25 1xs4 s PRO 23 N 3.10 3.04 1.08 5.12 0.02 -1.26 -5.01 135.00 141.08 1xs4 s PRO 23 Ca 0.55 1.71 -0.18 0.00 0.02 0.00 0.00 61.00 63.10 1xs4 s PRO 23 Cb -0.22 -1.95 0.24 0.00 0.02 0.00 0.00 34.50 32.59 1xs4 s PRO 23 CO 0.17 -1.13 1.23 -1.25 -0.33 0.00 0.00 177.00 175.69 1xs4 s PRO 24 N -3.42 -0.28 0.49 5.54 0.04 -1.26 -4.87 135.00 131.24 1xs4 s PRO 24 Ca 0.75 -0.29 0.21 0.00 0.04 0.00 0.00 61.00 61.71 1xs4 s PRO 24 Cb -0.27 -1.73 1.26 0.00 0.04 0.00 0.00 34.50 33.80 1xs4 s PRO 24 CO 0.32 -3.05 2.05 0.28 0.04 0.00 0.00 177.00 176.65 1xs4 h VAL 25 N -2.10 0.86 0.00 -0.36 2.07 -1.95 -2.22 116.25 112.55 1xs4 h VAL 25 Ca -0.44 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1xs4 h VAL 25 Cb 1.26 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1xs4 h VAL 25 CO 0.35 0.13 -0.03 -0.33 0.02 0.00 0.00 177.57 177.71 1xs4 h GLU 26 N 0.00 0.00 -0.27 1.57 3.07 -2.03 -2.92 114.58 114.00 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 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1xs4 h GLU 26 CO 0.02 0.03 0.00 0.54 -1.40 0.00 0.00 179.01 178.20 1xs4 n ARG 27 N -3.24 2.13 -4.09 2.33 5.12 -0.84 -4.80 116.66 113.27 1xs4 n ARG 27 Ca -0.02 -1.98 -0.32 0.00 -1.93 0.00 0.00 57.85 53.60 1xs4 n ARG 27 Cb 0.19 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 29.93 1xs4 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs4 s ILE 28 N -1.33 2.11 0.06 0.55 1.01 -1.10 -1.29 121.20 121.20 1xs4 s ILE 28 Ca 0.30 -1.33 -0.27 0.00 0.00 0.00 0.00 60.65 59.35 1xs4 s ILE 28 Cb 0.18 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.63 1xs4 s ILE 28 CO 0.25 0.21 0.65 0.54 0.00 0.00 0.00 174.94 176.59 1xs4 s ASN 29 N 1.19 -0.60 1.02 3.58 2.20 -0.61 -4.92 114.94 116.80 1xs4 s ASN 29 Ca -0.03 0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.22 1xs4 s ASN 29 Cb -0.17 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.64 1xs4 s ASN 29 CO -0.08 -0.79 0.00 0.61 -2.94 0.00 0.00 177.10 173.90 1xs4 n GLY 30 N 0.23 0.81 0.98 0.45 0.00 -1.26 -1.76 105.19 104.65 1xs4 n GLY 30 Ca -0.18 0.45 0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 7.69 2.29 -2.55 4.61 0.00 -1.26 -0.86 120.51 130.43 1xs4 n ALA 31 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 53.44 51.46 1xs4 n ALA 31 Cb 0.00 -0.60 -0.08 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 -0.33 0.15 -0.15 0.00 -4.23 -0.72 -4.38 115.64 105.98 1xs4 s THR 32 Ca 0.21 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1xs4 s THR 32 Cb 0.23 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 1xs4 s THR 32 CO -0.09 -0.68 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.49 1xs4 s VAL 33 N -3.48 2.87 0.25 2.29 1.01 -0.10 -1.57 120.40 121.68 1xs4 s VAL 33 Ca 0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1xs4 s VAL 33 Cb 0.04 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1xs4 s VAL 33 CO -0.09 0.51 1.19 -1.81 0.00 0.00 0.00 175.10 174.90 1xs4 s ASP 34 N 0.74 7.07 0.25 3.32 1.01 -0.41 -0.06 116.67 128.59 1xs4 s ASP 34 Ca -0.06 2.35 0.11 0.00 0.71 0.00 0.00 52.55 55.66 1xs4 s ASP 34 Cb -0.15 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1xs4 s ASP 34 CO 0.01 -0.33 -0.13 0.68 0.21 0.00 0.00 175.17 175.61 1xs4 s VAL 35 N -0.67 2.87 0.27 -1.27 -7.23 -0.39 -4.90 120.40 109.07 1xs4 s VAL 35 Ca 0.49 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.65 1xs4 s VAL 35 Cb -0.34 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1xs4 s VAL 35 CO 0.42 -0.31 0.06 -0.13 -0.31 0.00 0.00 175.10 174.83 1xs4 s ARG 36 N -3.35 2.47 0.19 4.82 0.52 -1.26 -1.61 118.95 120.72 1xs4 s ARG 36 Ca 0.28 -1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 53.86 1xs4 s ARG 36 Cb -0.06 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 33.05 1xs4 s ARG 36 CO 0.16 0.35 1.25 -1.17 0.02 0.00 0.00 175.30 175.91 1xs4 s LEU 37 N -3.74 4.43 0.00 2.53 2.96 -1.26 -1.52 118.68 122.08 1xs4 s LEU 37 Ca 0.32 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 1xs4 s LEU 37 Cb -0.06 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1xs4 s LEU 37 CO 0.21 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1xs4 n GLY 38 N 2.29 -0.08 0.85 7.98 0.00 0.75 -1.27 105.19 115.72 1xs4 n GLY 38 Ca 0.05 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.31 3.47 -4.19 1.61 0.23 -1.26 -4.37 115.26 108.44 1xs4 n ASN 39 Ca 0.00 -2.36 -0.27 0.00 -0.53 0.00 0.00 54.58 51.42 1xs4 n ASN 39 Cb 0.00 -0.38 -0.16 0.00 -2.08 0.00 0.00 39.78 37.17 1xs4 n ASN 39 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xs4 s LYS 40 N -1.66 1.77 0.05 -3.83 1.02 -1.26 -2.53 119.74 113.30 1xs4 s LYS 40 Ca 0.33 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.57 1xs4 s LYS 40 Cb 0.22 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.88 1xs4 s LYS 40 CO 0.15 0.37 0.05 -0.06 -0.92 0.00 0.00 175.35 174.95 1xs4 s PHE 41 N -0.30 0.33 -0.04 3.18 0.40 -0.38 -3.61 117.98 117.56 1xs4 s PHE 41 Ca 0.03 -0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.58 1xs4 s PHE 41 Cb -0.09 -0.23 0.01 0.00 0.51 0.00 0.00 43.02 43.22 1xs4 s PHE 41 CO 0.01 -0.39 0.10 1.03 0.70 0.00 0.00 175.22 176.66 1xs4 s ARG 42 N -3.31 0.11 0.51 0.44 0.52 -0.49 -0.43 118.95 116.30 1xs4 s ARG 42 Ca 0.01 0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 1xs4 s ARG 42 Cb 0.03 0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.52 1xs4 s ARG 42 CO -0.08 -0.03 0.07 0.95 0.02 0.00 0.00 175.30 176.23 1xs4 s THR 43 N 0.18 1.26 -0.02 0.02 -4.23 -1.26 -1.04 115.64 110.54 1xs4 s THR 43 Ca -0.01 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1xs4 s THR 43 Cb -0.02 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 1xs4 s THR 43 CO -0.00 0.00 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.58 1xs4 s PHE 44 N -2.86 2.71 -0.69 3.99 0.40 -1.26 -1.54 117.98 118.73 1xs4 s PHE 44 Ca 0.11 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1xs4 s PHE 44 Cb 0.01 -1.60 0.17 0.00 0.51 0.00 0.00 43.02 42.12 1xs4 s PHE 44 CO 0.06 0.23 0.50 1.03 0.70 0.00 0.00 175.22 177.75 1xs4 s ARG 45 N -0.98 2.56 0.51 0.44 0.52 0.64 -4.91 118.95 117.73 1xs4 s ARG 45 Ca 0.13 -3.04 0.31 0.00 -0.52 0.00 0.00 55.73 52.62 1xs4 s ARG 45 Cb -0.11 -3.58 1.20 0.00 0.52 0.00 0.00 34.95 32.98 1xs4 s ARG 45 CO 0.03 -1.22 1.91 0.78 0.02 0.00 0.00 175.30 176.81 1xs4 h GLY 46 N 6.06 0.00 2.00 -3.53 0.00 -1.91 -3.18 103.07 102.51 1xs4 h GLY 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 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 -3.00 0.36 1.08 5.60 1.44 -1.26 -2.77 115.22 116.67 1xs4 n HIS 47 Ca 0.01 0.16 0.12 0.00 -2.01 0.00 0.00 57.72 56.00 1xs4 n HIS 47 Cb 0.33 -0.75 0.13 0.00 0.12 0.00 0.00 29.99 29.82 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 -1.84 0.00 -3.73 0.61 -2.24 -1.20 -4.97 114.28 100.91 1xs4 n THR 48 Ca 0.02 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1xs4 n THR 48 Cb 0.13 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.32 -0.69 -0.02 6.98 0.00 -1.12 -4.91 121.76 119.68 1xs4 s ALA 49 Ca 0.24 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.97 1xs4 s ALA 49 Cb 0.19 0.44 -0.33 0.00 0.00 0.00 0.00 23.12 23.43 1xs4 s ALA 49 CO 0.47 -0.49 0.81 0.00 0.00 0.00 0.00 175.76 176.55 1xs4 h ALA 50 N 2.90 0.00 -2.74 0.00 0.00 -1.93 -3.47 119.26 114.03 1xs4 h ALA 50 Ca -0.33 -0.99 0.09 0.00 0.00 0.00 0.00 54.91 53.68 1xs4 h ALA 50 Cb 1.21 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1xs4 h ALA 50 CO 0.48 0.83 0.40 -0.59 0.00 0.00 0.00 179.25 180.36 1xs4 s PHE 51 N -2.57 0.01 -0.15 0.00 -0.12 -1.26 -5.14 117.98 108.75 1xs4 s PHE 51 Ca -0.13 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.26 1xs4 s PHE 51 Cb 0.04 0.74 0.02 0.00 -0.63 0.00 0.00 43.02 43.19 1xs4 s PHE 51 CO 0.89 -1.19 -0.20 0.42 -0.05 0.00 0.00 175.22 175.09 1xs4 s ILE 52 N -2.71 1.96 -0.75 -4.49 1.01 -1.26 -5.03 121.20 109.93 1xs4 s ILE 52 Ca 0.16 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1xs4 s ILE 52 Cb -0.04 -1.76 0.07 0.00 0.01 0.00 0.00 42.46 40.74 1xs4 s ILE 52 CO 0.07 0.53 1.11 -0.62 0.00 0.00 0.00 174.94 176.03 1xs4 s ASP 53 N 1.09 6.26 0.42 3.58 -1.08 -1.26 -4.91 116.67 120.78 1xs4 s ASP 53 Ca -0.01 -1.05 0.13 0.00 -0.52 0.00 0.00 52.55 51.10 1xs4 s ASP 53 Cb -0.14 -2.46 1.00 0.00 -1.46 0.00 0.00 42.92 39.85 1xs4 s ASP 53 CO -0.07 -1.49 1.96 -0.07 0.52 0.00 0.00 175.17 176.01 1xs4 h LEU 54 N 11.77 0.41 -4.04 -1.34 3.38 -1.98 -2.62 115.31 120.89 1xs4 h LEU 54 Ca -0.18 0.01 -0.43 0.00 0.09 0.00 0.00 57.88 57.37 1xs4 h LEU 54 Cb 1.05 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 41.34 1xs4 h LEU 54 CO 1.22 0.24 -0.87 -0.24 0.09 0.00 0.00 178.44 178.88 1xs4 n SER 55 N -4.48 3.85 -4.31 -0.43 2.88 -1.26 -4.76 113.62 105.11 1xs4 n SER 55 Ca 0.11 -3.34 -0.19 0.00 -1.33 0.00 0.00 58.87 54.13 1xs4 n SER 55 Cb 0.40 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.50 1xs4 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xs4 n GLY 56 N -0.69 2.47 3.64 0.46 0.00 -0.99 -5.04 105.19 105.04 1xs4 n GLY 56 Ca 0.33 -2.25 -0.47 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.73 1.73 -0.12 1.61 -0.02 -1.26 -4.80 135.00 130.41 1xs4 n PRO 57 Ca 0.04 0.62 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1xs4 n PRO 57 Cb 0.49 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 4.60 0.13 -0.45 -0.52 3.64 -1.96 -2.29 116.57 119.73 1xs4 h LYS 58 Ca -0.45 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1xs4 h LYS 58 Cb 1.29 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 1xs4 h LYS 58 CO 0.79 0.09 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.55 1xs4 h ASP 59 N 0.14 -0.33 0.06 4.20 3.32 -1.94 -1.73 116.42 120.14 1xs4 h ASP 59 Ca 0.20 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1xs4 h ASP 59 Cb 0.27 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xs4 h ASP 59 CO -0.31 -0.12 -0.03 -0.08 -1.72 0.00 0.00 179.24 176.98 1xs4 h GLU 60 N 0.04 -0.08 -0.21 3.56 4.81 -1.78 -1.73 114.58 119.18 1xs4 h GLU 60 Ca 0.22 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1xs4 h GLU 60 Cb 0.33 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1xs4 h GLU 60 CO -0.43 -0.05 -0.29 0.28 -0.73 0.00 0.00 179.01 177.79 1xs4 h VAL 61 N -0.09 1.27 -0.48 0.32 2.07 -1.40 0.20 116.25 118.14 1xs4 h VAL 61 Ca -0.01 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1xs4 h VAL 61 Cb 0.07 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1xs4 h VAL 61 CO 0.01 0.41 0.09 0.28 0.02 0.00 0.00 177.57 178.38 1xs4 h SER 62 N 0.36 0.76 -0.27 0.57 0.02 -1.18 -1.59 113.55 112.22 1xs4 h SER 62 Ca 0.05 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 1xs4 h SER 62 Cb 0.70 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1xs4 h SER 62 CO 0.05 0.83 -0.17 0.00 -1.14 0.00 0.00 176.83 176.40 1xs4 h ALA 63 N 0.97 0.39 -0.64 3.77 0.00 -0.61 -2.43 119.26 120.70 1xs4 h ALA 63 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xs4 h ALA 63 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1xs4 h ALA 63 CO 0.01 0.30 0.38 0.00 0.00 0.00 0.00 179.25 179.93 1xs4 h ALA 64 N 0.73 0.82 -0.64 0.00 0.00 -0.98 -2.18 119.26 117.00 1xs4 h ALA 64 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xs4 h ALA 64 Cb 0.69 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1xs4 h ALA 64 CO 0.05 0.31 0.29 -0.07 0.00 0.00 0.00 179.25 179.83 1xs4 h LEU 65 N 0.87 0.85 -1.40 0.00 3.38 -1.21 -1.48 115.31 116.31 1xs4 h LEU 65 Ca 0.23 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1xs4 h LEU 65 Cb -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xs4 h LEU 65 CO -0.04 0.76 -0.23 0.44 0.09 0.00 0.00 178.44 179.45 1xs4 h ASP 66 N 0.88 0.10 -0.04 -0.43 3.32 -1.22 -2.99 116.42 116.04 1xs4 h ASP 66 Ca 0.22 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1xs4 h ASP 66 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xs4 h ASP 66 CO -0.02 0.34 -0.23 0.03 -1.72 0.00 0.00 179.24 177.64 1xs4 h ARG 67 N 0.10 0.22 -3.63 3.56 3.08 -1.02 -3.46 114.38 113.22 1xs4 h ARG 67 Ca 0.02 -0.19 -0.64 0.00 0.07 0.00 0.00 59.98 59.24 1xs4 h ARG 67 Cb 0.46 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1xs4 h ARG 67 CO 0.03 0.85 3.19 1.33 -1.07 0.00 0.00 179.97 184.30 1xs4 n VAL 68 N -4.53 3.36 -4.48 2.04 0.24 -0.59 -4.78 118.33 109.60 1xs4 n VAL 68 Ca -0.09 -2.41 -0.23 0.00 -2.04 0.00 0.00 64.34 59.57 1xs4 n VAL 68 Cb 0.46 -2.50 -0.10 0.00 -1.47 0.00 0.00 33.84 30.23 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 3.13 3.17 0.77 -1.34 1.04 -0.59 -0.26 113.70 119.64 1xs4 s SER 70 Ca 0.55 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.67 1xs4 s SER 70 Cb 0.15 -0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.08 1xs4 s SER 70 CO -0.04 -0.29 1.11 -1.81 0.98 0.00 0.00 173.24 173.19 1xs4 s ASP 71 N -3.52 4.33 0.23 7.02 1.01 -1.26 -4.78 116.67 119.70 1xs4 s ASP 71 Ca 0.31 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 55.20 1xs4 s ASP 71 Cb 0.03 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.33 1xs4 s ASP 71 CO 0.14 -2.15 1.47 -0.70 0.21 0.00 0.00 175.17 174.14 1xs4 s GLU 72 N -4.69 4.25 -0.23 8.23 2.12 -1.26 -4.73 118.70 122.39 1xs4 s GLU 72 Ca 0.64 2.32 -0.12 0.00 0.36 0.00 0.00 54.97 58.16 1xs4 s GLU 72 Cb -0.19 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 1xs4 s GLU 72 CO 0.53 -0.47 0.24 0.42 -0.54 0.00 0.00 175.26 175.45 1xs4 s ILE 73 N 0.26 5.30 -0.23 -3.70 1.01 0.42 -4.93 121.20 119.33 1xs4 s ILE 73 Ca 0.62 0.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.58 1xs4 s ILE 73 Cb -0.42 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1xs4 s ILE 73 CO 0.41 0.30 -0.04 -0.69 0.00 0.00 0.00 174.94 174.91 1xs4 s VAL 74 N 1.24 3.28 -0.13 2.92 1.01 -1.26 -1.25 120.40 126.21 1xs4 s VAL 74 Ca 0.11 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1xs4 s VAL 74 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1xs4 s VAL 74 CO 0.06 0.36 0.58 -0.76 0.00 0.00 0.00 175.10 175.34 1xs4 s LEU 75 N 1.45 4.25 0.00 3.92 1.43 -1.05 -5.06 118.68 123.61 1xs4 s LEU 75 Ca 0.04 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1xs4 s LEU 75 Cb -0.15 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1xs4 s LEU 75 CO -0.03 -0.11 0.00 0.47 0.23 0.00 0.00 176.35 176.90 1xs4 n ASP 76 N 4.12 -0.41 -4.75 2.29 8.00 -1.26 -4.92 116.55 119.62 1xs4 n ASP 76 Ca -0.04 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.51 1xs4 n ASP 76 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.25 4.27 -1.49 -1.24 2.12 -1.26 -3.23 118.70 115.62 1xs4 s GLU 77 Ca 0.00 2.29 0.00 0.00 0.36 0.00 0.00 54.97 57.62 1xs4 s GLU 77 Cb 0.00 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1xs4 s GLU 77 CO 0.00 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 1xs4 n GLY 78 N 2.15 -0.05 3.82 -1.50 0.00 -1.26 -4.99 105.19 103.36 1xs4 n GLY 78 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.68 3.06 0.16 1.61 2.12 -1.20 -5.14 118.70 114.64 1xs4 s GLU 79 Ca 0.00 -0.60 0.11 0.00 0.36 0.00 0.00 54.97 54.84 1xs4 s GLU 79 Cb 0.00 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 1xs4 s GLU 79 CO 0.00 0.59 -0.24 0.00 -0.54 0.00 0.00 175.26 175.06 1xs4 s ALA 80 N -1.41 2.50 -0.26 6.30 0.00 -1.26 -4.61 121.76 123.02 1xs4 s ALA 80 Ca 0.30 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1xs4 s ALA 80 Cb -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1xs4 s ALA 80 CO 0.23 0.48 0.14 0.12 0.00 0.00 0.00 175.76 176.73 1xs4 s PHE 81 N -1.41 3.20 -0.46 0.00 5.36 -0.18 -4.93 117.98 119.55 1xs4 s PHE 81 Ca 0.18 -0.03 -0.20 0.00 -0.96 0.00 0.00 56.93 55.92 1xs4 s PHE 81 Cb -0.09 -2.30 0.03 0.00 -0.34 0.00 0.00 43.02 40.33 1xs4 s PHE 81 CO 0.09 -0.16 0.64 0.71 -1.46 0.00 0.00 175.22 175.04 1xs4 s TYR 82 N 1.49 3.05 -0.49 10.12 1.51 -1.26 -0.29 117.35 131.48 1xs4 s TYR 82 Ca 0.07 -0.20 -0.20 0.00 -1.01 0.00 0.00 57.07 55.72 1xs4 s TYR 82 Cb -0.15 -3.41 0.04 0.00 -0.11 0.00 0.00 41.96 38.34 1xs4 s TYR 82 CO 0.07 -0.93 0.67 -1.17 -1.11 0.00 0.00 175.55 173.08 1xs4 s LEU 83 N 2.79 4.68 0.40 -1.29 2.96 -0.53 -4.94 118.68 122.75 1xs4 s LEU 83 Ca 0.20 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 1xs4 s LEU 83 Cb -0.15 -2.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.87 1xs4 s LEU 83 CO 0.17 -0.89 0.76 -1.00 -1.32 0.00 0.00 176.35 174.07 1xs4 s HIS 84 N 2.87 3.47 0.22 5.38 3.76 -1.26 -1.51 115.29 128.21 1xs4 s HIS 84 Ca 0.20 1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 55.84 1xs4 s HIS 84 Cb -0.16 -2.44 -0.15 0.00 1.11 0.00 0.00 32.58 30.94 1xs4 s HIS 84 CO 0.15 -0.10 1.08 -2.30 -0.85 0.00 0.00 174.74 172.72 1xs4 n PRO 85 N -1.28 1.18 -0.99 8.40 -0.02 -1.26 -2.38 135.00 138.65 1xs4 n PRO 85 Ca 0.02 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1xs4 n PRO 85 Cb 0.54 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.73 0.42 3.49 -1.23 0.00 -0.05 -4.99 105.19 104.55 1xs4 n GLY 86 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1xs4 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs4 s GLU 87 N -0.44 3.67 -0.03 1.61 0.41 -1.00 -4.99 118.70 117.93 1xs4 s GLU 87 Ca 0.00 -0.51 -0.17 0.00 -0.41 0.00 0.00 54.97 53.88 1xs4 s GLU 87 Cb 0.00 -2.97 -0.05 0.00 -1.78 0.00 0.00 34.13 29.33 1xs4 s GLU 87 CO 0.00 0.18 0.46 -1.17 -0.49 0.00 0.00 175.26 174.24 1xs4 s LEU 88 N 0.53 4.41 0.00 1.80 2.96 -1.26 -3.63 118.68 123.49 1xs4 s LEU 88 Ca -0.02 0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 54.78 1xs4 s LEU 88 Cb -0.14 -2.68 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 1xs4 s LEU 88 CO 0.02 0.19 0.12 0.00 -1.32 0.00 0.00 176.35 175.37 1xs4 s ALA 89 N -0.43 -0.28 0.00 5.97 0.00 -0.68 -4.63 121.76 121.71 1xs4 s ALA 89 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1xs4 s ALA 89 Cb -0.17 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1xs4 s ALA 89 CO 0.13 -0.20 0.26 -0.51 0.00 0.00 0.00 175.76 175.43 1xs4 s LEU 90 N -1.38 4.37 0.00 0.00 1.43 -0.21 -0.51 118.68 122.38 1xs4 s LEU 90 Ca -0.15 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1xs4 s LEU 90 Cb -0.08 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1xs4 s LEU 90 CO 0.01 0.26 0.00 0.00 0.23 0.00 0.00 176.35 176.85 1xs4 n ALA 91 N 1.11 0.00 -2.97 4.21 0.00 -0.01 -1.39 120.51 121.46 1xs4 n ALA 91 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1xs4 n ALA 91 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1xs4 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs4 s VAL 92 N -2.38 0.09 0.55 0.00 0.11 -1.24 -0.26 120.40 117.27 1xs4 s VAL 92 Ca 0.00 -0.75 -0.17 0.00 -2.93 0.00 0.00 61.98 58.12 1xs4 s VAL 92 Cb 0.00 -0.87 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 1xs4 s VAL 92 CO 0.00 -0.41 1.05 0.42 -3.33 0.00 0.00 175.10 172.83 1xs4 s THR 93 N -2.39 3.81 0.11 5.04 -4.23 -0.14 -0.17 115.64 117.67 1xs4 s THR 93 Ca -0.06 0.96 -0.16 0.00 -1.18 0.00 0.00 61.69 61.25 1xs4 s THR 93 Cb -0.02 -3.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 1xs4 s THR 93 CO -0.03 -0.41 1.52 0.25 -0.54 0.00 0.00 174.62 175.42 1xs4 h LEU 94 N 0.88 0.65 -9.73 4.79 5.85 -1.44 -3.38 115.31 112.94 1xs4 h LEU 94 Ca -0.48 -0.35 -0.51 0.00 0.84 0.00 0.00 57.88 57.39 1xs4 h LEU 94 Cb 1.22 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.08 1xs4 h LEU 94 CO 0.58 0.84 0.46 -1.61 -0.34 0.00 0.00 178.44 178.38 1xs4 s GLU 95 N -4.84 4.65 0.10 1.25 8.01 -1.26 -4.74 118.70 121.87 1xs4 s GLU 95 Ca -0.13 1.72 -0.24 0.00 0.01 0.00 0.00 54.97 56.34 1xs4 s GLU 95 Cb 0.09 -3.24 -0.07 0.00 -4.31 0.00 0.00 34.13 26.60 1xs4 s GLU 95 CO 0.79 0.19 0.71 0.45 0.01 0.00 0.00 175.26 177.41 1xs4 s SER 96 N -0.57 7.24 -0.01 -0.19 0.15 0.33 -4.20 113.70 116.45 1xs4 s SER 96 Ca 0.46 1.47 0.07 0.00 0.70 0.00 0.00 55.95 58.66 1xs4 s SER 96 Cb -0.30 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1xs4 s SER 96 CO 0.37 0.17 -0.23 -0.69 1.20 0.00 0.00 173.24 174.06 1xs4 s VAL 97 N -0.79 1.79 -0.12 4.45 1.01 -0.51 -1.41 120.40 124.82 1xs4 s VAL 97 Ca 0.35 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xs4 s VAL 97 Cb -0.21 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1xs4 s VAL 97 CO 0.23 0.49 -0.02 -0.89 0.00 0.00 0.00 175.10 174.92 1xs4 s THR 98 N -0.55 0.66 -0.04 3.92 2.01 -0.29 -1.34 115.64 120.02 1xs4 s THR 98 Ca 0.09 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1xs4 s THR 98 Cb -0.09 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1xs4 s THR 98 CO -0.01 0.18 0.02 -0.76 -0.69 0.00 0.00 174.62 173.36 1xs4 s LEU 99 N 1.84 3.62 0.00 4.42 1.43 -0.38 -1.56 118.68 128.05 1xs4 s LEU 99 Ca 0.03 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 1xs4 s LEU 99 Cb -0.14 -1.97 0.24 0.00 0.03 0.00 0.00 46.19 44.35 1xs4 s LEU 99 CO -0.07 0.32 1.33 -0.81 0.23 0.00 0.00 176.35 177.35 1xs4 n PRO 100 N 1.70 -1.55 0.21 1.29 -0.04 -1.26 -1.47 135.00 133.88 1xs4 n PRO 100 Ca -0.16 -2.06 0.15 0.00 -0.04 0.00 0.00 63.50 61.39 1xs4 n PRO 100 Cb 0.53 -1.43 0.53 0.00 -0.04 0.00 0.00 33.50 33.10 1xs4 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xs4 h ALA 101 N -1.90 1.00 -0.53 0.55 0.00 -1.92 -2.60 119.26 113.86 1xs4 h ALA 101 Ca -0.44 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1xs4 h ALA 101 Cb 1.21 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1xs4 h ALA 101 CO 0.30 0.00 0.13 -0.40 0.00 0.00 0.00 179.25 179.28 1xs4 n ASP 102 N -2.73 4.09 -3.81 0.00 5.75 -1.26 -0.68 116.55 117.90 1xs4 n ASP 102 Ca 0.02 -3.28 -0.13 0.00 -0.01 0.00 0.00 54.79 51.39 1xs4 n ASP 102 Cb 0.32 -0.67 -0.14 0.00 -1.03 0.00 0.00 41.12 39.60 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 -3.00 1.39 0.06 -2.12 2.96 -1.18 -0.96 118.68 115.83 1xs4 s LEU 103 Ca 0.49 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1xs4 s LEU 103 Cb 0.41 0.24 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1xs4 s LEU 103 CO 0.09 -0.07 -0.16 0.54 -1.32 0.00 0.00 176.35 175.43 1xs4 s VAL 104 N 0.44 2.92 0.26 1.68 0.11 -0.65 -2.88 120.40 122.27 1xs4 s VAL 104 Ca -0.03 -1.24 0.10 0.00 -2.93 0.00 0.00 61.98 57.88 1xs4 s VAL 104 Cb -0.05 -2.27 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 1xs4 s VAL 104 CO -0.02 0.27 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.16 1xs4 s GLY 105 N -1.67 1.68 -0.03 6.54 0.00 0.12 -0.91 107.32 113.05 1xs4 s GLY 105 Ca 0.16 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.24 1xs4 s GLY 105 CO 0.07 -1.70 0.02 -0.98 0.00 0.00 0.00 173.10 170.52 1xs4 s TRP 106 N -2.26 0.14 -0.26 1.90 0.52 -0.30 -0.92 118.94 117.77 1xs4 s TRP 106 Ca 0.31 0.10 -0.16 0.00 0.02 0.00 0.00 56.10 56.36 1xs4 s TRP 106 Cb -0.07 -0.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.88 1xs4 s TRP 106 CO 0.19 -0.12 0.44 -1.17 0.02 0.00 0.00 176.95 176.31 1xs4 s LEU 107 N 1.22 4.05 0.17 2.99 2.96 0.25 -1.79 118.68 128.53 1xs4 s LEU 107 Ca -0.07 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1xs4 s LEU 107 Cb -0.13 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1xs4 s LEU 107 CO -0.03 -0.23 0.24 -1.81 -1.32 0.00 0.00 176.35 173.21 1xs4 s ASP 108 N 1.58 6.02 0.00 3.68 1.01 0.40 -4.84 116.67 124.52 1xs4 s ASP 108 Ca 0.18 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1xs4 s ASP 108 Cb -0.16 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1xs4 s ASP 108 CO 0.10 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1xs4 n GLY 109 N -0.60 1.07 2.91 0.21 0.00 -1.26 -1.39 105.19 106.13 1xs4 n GLY 109 Ca -0.08 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 0.85 0.15 0.37 1.61 0.52 -1.26 -3.96 118.95 117.23 1xs4 s ARG 110 Ca 0.00 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.11 1xs4 s ARG 110 Cb 0.00 -0.09 0.73 0.00 0.52 0.00 0.00 34.95 36.12 1xs4 s ARG 110 CO 0.00 0.02 1.99 1.03 0.02 0.00 0.00 175.30 178.36 1xs4 h SER 111 N 5.86 0.52 0.29 0.23 0.87 -1.98 0.24 113.55 119.59 1xs4 h SER 111 Ca -0.26 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.19 1xs4 h SER 111 Cb 1.21 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1xs4 h SER 111 CO 0.49 0.45 -0.30 0.28 -0.53 0.00 0.00 176.83 177.22 1xs4 h SER 112 N 0.59 0.02 0.42 6.23 0.02 -1.99 -2.19 113.55 116.65 1xs4 h SER 112 Ca 0.15 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.78 1xs4 h SER 112 Cb 0.06 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1xs4 h SER 112 CO -0.02 0.32 -1.55 -0.07 -1.14 0.00 0.00 176.83 174.37 1xs4 h LEU 113 N 0.01 0.43 -1.39 5.07 3.38 -1.50 -3.32 115.31 117.99 1xs4 h LEU 113 Ca -0.00 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.41 1xs4 h LEU 113 Cb 0.54 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1xs4 h LEU 113 CO 0.04 1.49 0.44 0.00 0.09 0.00 0.00 178.44 180.50 1xs4 h ALA 114 N 0.44 1.63 0.00 1.53 0.00 -0.35 -1.46 119.26 121.05 1xs4 h ALA 114 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xs4 h ALA 114 Cb 2.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1xs4 h ALA 114 CO 0.17 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.26 1xs4 n ARG 115 N -4.46 0.32 -0.07 0.00 1.74 -0.84 -1.37 116.66 111.98 1xs4 n ARG 115 Ca 0.08 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 1xs4 n ARG 115 Cb 0.13 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.30 2.22 0.00 0.55 4.77 -0.75 -5.02 117.00 117.47 1xs4 n LEU 116 Ca 0.11 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1xs4 n LEU 116 Cb 0.20 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1xs4 n LEU 116 CO 0.19 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1xs4 n GLY 117 N 0.10 0.75 3.94 -0.72 0.00 -0.47 -4.07 105.19 104.72 1xs4 n GLY 117 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 2.76 0.00 0.99 2.96 -0.62 -1.16 118.68 123.61 1xs4 s LEU 118 Ca 0.00 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1xs4 s LEU 118 Cb 0.00 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1xs4 s LEU 118 CO 0.00 -2.70 0.00 1.33 -1.32 0.00 0.00 176.35 173.66 1xs4 n VAL 120 N -3.70 0.00 -3.81 1.68 0.24 -1.26 -4.09 118.33 107.38 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 0.59 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.05 -0.55 6.34 -3.43 -1.10 -3.28 115.29 113.33 1xs4 s HIS 121 Ca 0.00 -0.41 0.04 0.00 -0.80 0.00 0.00 55.06 53.89 1xs4 s HIS 121 Cb 0.00 0.24 0.15 0.00 -1.43 0.00 0.00 32.58 31.55 1xs4 s HIS 121 CO 0.00 -0.85 0.36 0.08 -2.00 0.00 0.00 174.74 172.33 1xs4 s VAL 122 N -3.91 1.99 -0.78 -5.38 1.01 -1.26 -4.80 120.40 107.27 1xs4 s VAL 122 Ca 0.12 -3.39 -0.09 0.00 0.00 0.00 0.00 61.98 58.62 1xs4 s VAL 122 Cb 0.00 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1xs4 s VAL 122 CO -0.02 -0.99 0.17 0.35 0.00 0.00 0.00 175.10 174.62 1xs4 n THR 123 N 2.71 -0.96 -3.23 3.92 -2.24 -1.26 -4.93 114.28 108.29 1xs4 n THR 123 Ca 0.16 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1xs4 n THR 123 Cb 0.37 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 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 -3.96 -1.78 -0.01 6.98 0.00 -1.26 -5.04 121.76 116.69 1xs4 s ALA 124 Ca 0.13 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1xs4 s ALA 124 Cb -0.07 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1xs4 s ALA 124 CO 0.55 -1.63 0.73 -2.39 0.00 0.00 0.00 175.76 173.02 1xs4 n HIS 125 N 5.39 0.00 -3.29 0.00 -0.00 -1.26 -4.84 115.22 111.22 1xs4 n HIS 125 Ca 0.01 -0.12 -0.38 0.00 -0.00 0.00 0.00 57.72 57.23 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 -0.29 4.33 -0.32 -1.40 3.52 -1.26 -0.58 118.95 122.95 1xs4 s ARG 126 Ca 0.02 0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 56.02 1xs4 s ARG 126 Cb 0.02 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1xs4 s ARG 126 CO 0.00 0.11 0.10 0.42 -0.81 0.00 0.00 175.30 175.12 1xs4 s ILE 127 N 0.76 3.91 0.57 4.11 -1.09 -0.09 -4.99 121.20 124.37 1xs4 s ILE 127 Ca 0.26 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.61 1xs4 s ILE 127 Cb -0.15 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 1xs4 s ILE 127 CO 0.11 -0.06 1.04 -1.81 -1.23 0.00 0.00 174.94 172.99 1xs4 s ASP 128 N 1.46 5.99 0.31 3.58 1.01 -1.26 -0.70 116.67 127.05 1xs4 s ASP 128 Ca 0.01 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.77 1xs4 s ASP 128 Cb -0.18 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 1xs4 s ASP 128 CO 0.03 -1.02 1.47 -0.81 0.21 0.00 0.00 175.17 175.05 1xs4 n PRO 129 N -1.81 2.43 -0.55 8.23 -0.04 -1.14 -1.15 135.00 140.97 1xs4 n PRO 129 Ca 0.08 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1xs4 n PRO 129 Cb 0.53 -2.56 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 1.57 1.67 3.72 0.55 0.00 -0.54 -0.90 105.19 111.27 1xs4 n GLY 130 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 2.30 -3.51 1.61 -0.00 -0.30 -3.07 117.44 112.48 1xs4 n TRP 131 Ca 0.00 0.47 -0.08 0.00 -0.00 0.00 0.00 57.50 57.89 1xs4 n TRP 131 Cb 0.00 -2.40 -0.08 0.00 -0.00 0.00 0.00 31.31 28.83 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 -0.57 -0.15 0.00 5.87 0.15 -1.25 -1.25 113.70 116.49 1xs4 s SER 132 Ca 0.62 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1xs4 s SER 132 Cb -0.48 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1xs4 s SER 132 CO 0.57 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.36 1xs4 n GLY 133 N 5.38 1.62 3.77 9.45 0.00 -0.45 -4.15 105.19 120.82 1xs4 n GLY 133 Ca -0.06 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.65 5.23 -0.01 0.00 1.01 -1.26 -4.85 121.20 119.67 1xs4 s ILE 135 Ca 0.67 0.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 1xs4 s ILE 135 Cb -0.26 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1xs4 s ILE 135 CO 0.31 0.24 1.15 -0.69 0.00 0.00 0.00 174.94 175.94 1xs4 s VAL 136 N 1.55 4.33 -0.14 2.92 1.01 -1.26 -0.97 120.40 127.85 1xs4 s VAL 136 Ca 0.15 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 1xs4 s VAL 136 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1xs4 s VAL 136 CO 0.08 0.07 0.11 -0.76 0.00 0.00 0.00 175.10 174.59 1xs4 s LEU 137 N 1.60 4.16 -0.42 3.92 1.43 0.64 -4.94 118.68 125.07 1xs4 s LEU 137 Ca 0.56 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1xs4 s LEU 137 Cb -0.25 -2.02 0.09 0.00 0.03 0.00 0.00 46.19 44.03 1xs4 s LEU 137 CO 0.25 0.33 0.25 0.00 0.23 0.00 0.00 176.35 177.41 1xs4 s ALA 138 N -0.58 3.25 -0.03 4.21 0.00 -1.20 -0.83 121.76 126.58 1xs4 s ALA 138 Ca 0.12 -2.22 -0.14 0.00 0.00 0.00 0.00 51.96 49.71 1xs4 s ALA 138 Cb -0.12 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1xs4 s ALA 138 CO 0.02 -1.68 0.39 -0.06 0.00 0.00 0.00 175.76 174.43 1xs4 s PHE 139 N 1.37 3.69 -0.04 0.00 2.99 0.34 -2.69 117.98 123.64 1xs4 s PHE 139 Ca 0.04 0.93 -0.01 0.00 0.00 0.00 0.00 56.93 57.89 1xs4 s PHE 139 Cb -0.23 -2.29 0.03 0.00 0.00 0.00 0.00 43.02 40.53 1xs4 s PHE 139 CO 0.01 0.59 0.08 -0.47 -0.00 0.00 0.00 175.22 175.43 1xs4 s TYR 140 N -0.86 -0.06 -0.48 0.36 5.04 -1.26 -1.68 117.35 118.40 1xs4 s TYR 140 Ca 0.23 0.28 -0.16 0.00 -2.44 0.00 0.00 57.07 54.98 1xs4 s TYR 140 Cb -0.16 -0.14 0.07 0.00 0.35 0.00 0.00 41.96 42.08 1xs4 s TYR 140 CO 0.12 -0.12 0.44 1.21 -1.34 0.00 0.00 175.55 175.87 1xs4 s ASN 141 N 0.99 6.16 0.00 4.32 3.84 -1.24 -4.34 114.94 124.68 1xs4 s ASN 141 Ca -0.08 -1.28 0.24 0.00 0.21 0.00 0.00 52.86 51.95 1xs4 s ASN 141 Cb -0.11 -2.21 0.60 0.00 -0.55 0.00 0.00 41.25 38.99 1xs4 s ASN 141 CO -0.04 -0.71 1.49 -1.54 -2.79 0.00 0.00 177.10 173.51 1xs4 n SER 142 N 5.39 2.40 -1.77 -4.21 3.41 -0.31 -0.87 113.62 117.67 1xs4 n SER 142 Ca -0.11 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1xs4 n SER 142 Cb 0.44 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.29 0.58 0.00 5.00 0.00 -1.26 -4.89 105.19 105.91 1xs4 n GLY 143 Ca 0.17 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.62 0.49 -4.98 1.61 5.02 -1.26 -4.69 118.16 113.72 1xs4 n LYS 144 Ca 0.00 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1xs4 n LYS 144 Cb 0.00 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.40 1xs4 n LYS 144 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xs4 s LEU 145 N -3.59 2.39 0.53 -0.35 1.02 -1.26 -4.93 118.68 112.50 1xs4 s LEU 145 Ca 0.01 -0.40 -0.22 0.00 0.02 0.00 0.00 54.13 53.54 1xs4 s LEU 145 Cb 0.14 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.86 1xs4 s LEU 145 CO 0.84 0.30 1.37 -2.84 0.02 0.00 0.00 176.35 176.04 1xs4 s PRO 146 N -0.92 3.20 -0.11 1.29 0.02 -1.26 -4.52 135.00 132.70 1xs4 s PRO 146 Ca 0.12 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.42 1xs4 s PRO 146 Cb -0.10 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.12 1xs4 s PRO 146 CO 0.01 -1.15 -0.17 -0.51 -0.33 0.00 0.00 177.00 174.86 1xs4 s LEU 147 N -3.43 1.82 -0.12 -5.54 1.43 -0.57 -4.98 118.68 107.30 1xs4 s LEU 147 Ca 0.70 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1xs4 s LEU 147 Cb -0.41 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1xs4 s LEU 147 CO 0.49 0.05 0.96 0.00 0.23 0.00 0.00 176.35 178.07 1xs4 s ALA 148 N 0.84 3.42 -0.20 4.21 0.00 -1.26 -1.46 121.76 127.31 1xs4 s ALA 148 Ca -0.09 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1xs4 s ALA 148 Cb -0.16 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1xs4 s ALA 148 CO 0.00 -0.59 0.00 -0.51 0.00 0.00 0.00 175.76 174.67 1xs4 s LEU 149 N 1.98 3.30 -0.08 0.00 1.43 0.60 -4.94 118.68 120.97 1xs4 s LEU 149 Ca 0.46 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 1xs4 s LEU 149 Cb -0.18 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1xs4 s LEU 149 CO 0.17 0.08 -0.23 -0.13 0.23 0.00 0.00 176.35 176.47 1xs4 s ARG 150 N 0.91 2.78 0.18 1.70 0.52 -1.26 -1.01 118.95 122.77 1xs4 s ARG 150 Ca 0.01 -0.87 -0.33 0.00 -0.52 0.00 0.00 55.73 54.03 1xs4 s ARG 150 Cb -0.14 -2.26 -0.16 0.00 0.52 0.00 0.00 34.95 32.91 1xs4 s ARG 150 CO 0.02 0.32 1.17 -2.30 0.02 0.00 0.00 175.30 174.52 1xs4 n PRO 151 N 3.14 1.20 0.00 3.54 -0.02 -1.26 -4.84 135.00 136.76 1xs4 n PRO 151 Ca -0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1xs4 n PRO 151 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.00 0.84 3.46 -1.23 0.00 -0.40 -5.00 105.19 104.87 1xs4 n GLY 152 Ca 0.15 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 3.39 0.00 0.99 1.43 -1.26 -4.64 118.68 118.59 1xs4 s LEU 154 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1xs4 s LEU 154 Cb 0.00 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1xs4 s LEU 154 CO 0.00 0.02 0.00 0.00 0.23 0.00 0.00 176.35 176.60 1xs4 n ILE 155 N 4.53 0.00 -2.92 -0.59 0.13 -0.63 -4.88 119.36 115.00 1xs4 n ILE 155 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.48 1xs4 n ILE 155 Cb 0.52 0.38 0.00 0.00 -0.84 0.00 0.00 39.64 39.70 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 2.47 1.50 3.22 4.50 0.00 -1.10 -4.37 105.19 111.41 1xs4 n GLY 156 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.67 -0.04 4.61 0.00 -0.49 -1.27 121.76 122.91 1xs4 s ALA 157 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1xs4 s ALA 157 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1xs4 s ALA 157 CO 0.00 -0.29 -0.22 -0.51 0.00 0.00 0.00 175.76 174.74 1xs4 s LEU 158 N -1.55 2.30 0.27 0.00 1.43 0.92 -0.46 118.68 121.60 1xs4 s LEU 158 Ca -0.11 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1xs4 s LEU 158 Cb -0.04 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1xs4 s LEU 158 CO 0.02 0.32 -0.13 -0.94 0.23 0.00 0.00 176.35 175.84 1xs4 s SER 159 N -0.59 3.18 -0.01 2.29 1.04 -0.74 -0.93 113.70 117.95 1xs4 s SER 159 Ca 0.09 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.44 1xs4 s SER 159 Cb -0.11 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1xs4 s SER 159 CO 0.00 -0.15 -0.06 -0.36 0.98 0.00 0.00 173.24 173.66 1xs4 s PHE 160 N -2.76 0.55 -0.18 5.02 0.40 -1.26 -1.15 117.98 118.60 1xs4 s PHE 160 Ca 0.29 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 1xs4 s PHE 160 Cb -0.00 -0.38 0.05 0.00 0.51 0.00 0.00 43.02 43.19 1xs4 s PHE 160 CO 0.13 -0.03 -0.03 -2.00 0.70 0.00 0.00 175.22 173.98 1xs4 s GLU 161 N 0.03 1.22 0.42 0.44 2.12 -0.09 -1.40 118.70 121.44 1xs4 s GLU 161 Ca 0.00 -0.55 -0.26 0.00 0.36 0.00 0.00 54.97 54.53 1xs4 s GLU 161 Cb -0.04 -2.08 -0.10 0.00 0.26 0.00 0.00 34.13 32.17 1xs4 s GLU 161 CO -0.00 -0.51 1.27 -2.30 -0.54 0.00 0.00 175.26 173.18 1xs4 n PRO 162 N 4.90 1.94 -2.75 4.30 -0.02 -1.26 -1.64 135.00 140.45 1xs4 n PRO 162 Ca -0.11 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 61.82 1xs4 n PRO 162 Cb 0.47 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1xs4 n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs4 s LEU 163 N -1.65 3.49 0.50 2.45 1.43 -0.14 -4.87 118.68 119.90 1xs4 s LEU 163 Ca 0.61 0.44 0.26 0.00 -1.03 0.00 0.00 54.13 54.41 1xs4 s LEU 163 Cb -0.51 -3.30 1.34 0.00 0.03 0.00 0.00 46.19 43.75 1xs4 s LEU 163 CO 0.58 -0.84 2.02 0.77 0.23 0.00 0.00 176.35 179.11 1xs4 h SER 164 N 0.18 0.00 -2.02 2.29 4.64 -1.95 -3.45 113.55 113.24 1xs4 h SER 164 Ca -0.46 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1xs4 h SER 164 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xs4 h SER 164 CO 0.58 0.14 0.22 0.61 -0.87 0.00 0.00 176.83 177.51 1xs4 n GLY 165 N -0.53 1.25 3.74 -0.77 0.00 -1.26 -5.13 105.19 102.49 1xs4 n GLY 165 Ca -0.01 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.05 4.44 0.27 1.61 0.04 -1.26 -4.62 135.00 133.44 1xs4 s PRO 166 Ca 0.10 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1xs4 s PRO 166 Cb -0.03 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 1xs4 s PRO 166 CO 0.06 -0.14 1.38 0.00 0.04 0.00 0.00 177.00 178.34 1xs4 s ALA 167 N -0.26 3.57 0.11 8.56 0.00 0.14 -4.92 121.76 128.97 1xs4 s ALA 167 Ca 0.53 1.28 0.12 0.00 0.00 0.00 0.00 51.96 53.89 1xs4 s ALA 167 Cb -0.35 -3.52 0.17 0.00 0.00 0.00 0.00 23.12 19.42 1xs4 s ALA 167 CO 0.40 -0.69 1.49 0.28 0.00 0.00 0.00 175.76 177.24 1xs4 h VAL 168 N 3.40 1.31 -2.17 0.00 2.07 -1.94 -3.36 116.25 115.56 1xs4 h VAL 168 Ca -0.47 -2.46 -0.59 0.00 0.82 0.00 0.00 66.70 64.00 1xs4 h VAL 168 Cb 1.22 2.40 -0.42 0.00 -1.52 0.00 0.00 31.29 32.97 1xs4 h VAL 168 CO 0.74 0.66 -0.70 0.54 0.02 0.00 0.00 177.57 178.83 1xs4 n ARG 169 N -3.48 2.36 -1.11 1.57 1.74 -1.26 -5.08 116.66 111.40 1xs4 n ARG 169 Ca 0.00 -4.46 -0.29 0.00 -0.77 0.00 0.00 57.85 52.33 1xs4 n ARG 169 Cb 0.73 -2.09 0.19 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.13 0.25 5.56 0.04 -1.26 -4.81 135.00 132.42 1xs4 s PRO 170 Ca 0.41 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.89 1xs4 s PRO 170 Cb 0.19 -1.71 0.28 0.00 0.04 0.00 0.00 34.50 33.30 1xs4 s PRO 170 CO -0.05 -2.93 1.79 -0.92 0.04 0.00 0.00 177.00 174.93 1xs4 h TYR 171 N -2.03 1.01 0.00 0.56 3.20 -1.24 -2.80 116.97 115.67 1xs4 h TYR 171 Ca -0.55 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.22 1xs4 h TYR 171 Cb 1.33 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1xs4 h TYR 171 CO 0.17 0.82 0.00 -2.95 -1.64 0.00 0.00 178.16 174.56 1xs4 h ASN 172 N 0.95 0.00 -0.01 -2.11 -1.07 -1.78 -2.99 115.58 108.57 1xs4 h ASN 172 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.58 1xs4 h ASN 172 Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 1xs4 h ASN 172 CO -0.00 0.00 -0.16 0.54 0.07 0.00 0.00 177.43 177.87 1xs4 n ARG 173 N -2.55 1.83 -3.12 4.14 5.12 -1.07 -5.00 116.66 116.01 1xs4 n ARG 173 Ca 0.01 -0.67 -0.40 0.00 -1.93 0.00 0.00 57.85 54.86 1xs4 n ARG 173 Cb 0.21 -1.08 -0.05 0.00 -1.16 0.00 0.00 32.46 30.37 1xs4 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1xs4 s ARG 174 N -1.22 4.31 0.23 5.56 3.52 -1.13 -4.96 118.95 125.26 1xs4 s ARG 174 Ca 0.08 0.69 0.10 0.00 -0.13 0.00 0.00 55.73 56.48 1xs4 s ARG 174 Cb 0.08 -3.51 0.16 0.00 -1.56 0.00 0.00 34.95 30.12 1xs4 s ARG 174 CO 0.22 -0.09 1.49 1.05 -0.81 0.00 0.00 175.30 177.16 1xs4 h GLU 175 N 7.12 0.00 -0.67 5.12 4.11 -1.94 -2.81 114.58 125.52 1xs4 h GLU 175 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1xs4 h GLU 175 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1xs4 h GLU 175 CO 0.77 0.72 0.00 -0.40 0.07 0.00 0.00 179.01 180.17 1xs4 n ASP 176 N -3.56 4.73 -4.76 3.06 5.75 -1.26 -4.95 116.55 115.56 1xs4 n ASP 176 Ca -0.00 -2.40 -0.41 0.00 -0.01 0.00 0.00 54.79 51.96 1xs4 n ASP 176 Cb 0.73 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 1xs4 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs4 s ALA 177 N -1.76 3.58 -0.10 2.12 0.00 -1.06 -4.96 121.76 119.56 1xs4 s ALA 177 Ca 0.52 1.39 0.15 0.00 0.00 0.00 0.00 51.96 54.02 1xs4 s ALA 177 Cb 0.33 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.67 1xs4 s ALA 177 CO 0.26 -0.81 0.52 1.63 0.00 0.00 0.00 175.76 177.36 1xs4 n LYS 178 N 1.26 0.65 -1.02 0.00 5.02 -1.26 -4.66 118.16 118.15 1xs4 n LYS 178 Ca 0.03 0.17 0.01 0.00 -2.02 0.00 0.00 58.31 56.50 1xs4 n LYS 178 Cb 0.40 -1.71 0.15 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.89 0.44 -2.22 2.13 4.02 -1.26 -5.03 117.16 112.35 1xs4 n TYR 179 Ca -0.19 -1.47 -0.33 0.00 -0.01 0.00 0.00 57.90 55.89 1xs4 n TYR 179 Cb 1.02 -0.25 -0.00 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 3.45 -1.22 -0.72 0.52 -1.26 -4.05 118.95 112.85 1xs4 s ARG 180 Ca 0.39 1.32 -0.01 0.00 -0.52 0.00 0.00 55.73 56.91 1xs4 s ARG 180 Cb 0.38 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 33.80 1xs4 s ARG 180 CO -0.07 -0.72 0.92 -1.71 0.02 0.00 0.00 175.30 173.74 1xs4 n ASN 181 N -1.61 -2.11 -4.34 0.23 2.85 -1.26 -4.95 115.26 104.07 1xs4 n ASN 181 Ca 0.09 -0.68 -0.38 0.00 -0.11 0.00 0.00 54.58 53.51 1xs4 n ASN 181 Cb 0.52 -4.86 -0.12 0.00 1.24 0.00 0.00 39.78 36.56 1xs4 n ASN 181 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1xs4 s GLN 182 N -5.46 3.00 -0.21 1.20 0.74 -1.26 -4.99 119.66 112.67 1xs4 s GLN 182 Ca 0.03 -0.93 0.02 0.00 0.05 0.00 0.00 55.36 54.54 1xs4 s GLN 182 Cb -0.01 -3.41 -0.14 0.00 1.10 0.00 0.00 33.01 30.55 1xs4 s GLN 182 CO 0.75 -0.50 -0.18 0.94 -0.55 0.00 0.00 175.29 175.75 1xs4 n GLN 183 N 4.87 0.56 0.00 1.67 7.27 -1.26 -3.46 117.38 127.03 1xs4 n GLN 183 Ca -0.14 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1xs4 n GLN 183 Cb 0.47 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.69 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 2.45 6.01 2.96 1.69 0.00 -1.26 -4.86 105.19 112.18 1xs4 n GLY 184 Ca -0.38 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 5.02 -2.07 4.61 0.00 -1.26 -4.79 120.51 119.02 1xs4 n ALA 185 Ca 0.00 -3.88 -0.41 0.00 0.00 0.00 0.00 53.44 49.15 1xs4 n ALA 185 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 15.87 1xs4 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs4 s VAL 186 N 3.42 3.37 0.84 0.00 1.01 -1.26 -4.75 120.40 123.03 1xs4 s VAL 186 Ca 0.49 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 1xs4 s VAL 186 Cb 0.11 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.88 1xs4 s VAL 186 CO -0.04 0.15 1.13 0.00 0.00 0.00 0.00 175.10 176.34 1xs4 s ALA 187 N 0.26 2.23 0.27 5.51 0.00 -1.26 -4.97 121.76 123.80 1xs4 s ALA 187 Ca 0.57 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1xs4 s ALA 187 Cb -0.35 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 1xs4 s ALA 187 CO 0.36 -1.87 1.60 0.45 0.00 0.00 0.00 175.76 176.29 1xs4 s SER 188 N -4.18 6.41 -0.35 0.00 0.15 -1.26 -4.89 113.70 109.57 1xs4 s SER 188 Ca 0.62 2.89 0.07 0.00 0.70 0.00 0.00 55.95 60.23 1xs4 s SER 188 Cb -0.13 -2.63 0.52 0.00 -1.71 0.00 0.00 66.02 62.07 1xs4 s SER 188 CO 0.52 -0.90 1.56 0.54 1.20 0.00 0.00 173.24 176.17 1xs4 n ARG 189 N 2.54 2.14 0.26 5.44 1.74 -1.26 -4.81 116.66 122.72 1xs4 n ARG 189 Ca 0.09 -3.28 0.15 0.00 -0.77 0.00 0.00 57.85 54.05 1xs4 n ARG 189 Cb 0.37 -1.96 0.70 0.00 -1.02 0.00 0.00 32.46 30.55 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 1.12 0.09 0.00 0.55 6.09 -1.95 -2.16 117.51 121.24 1xs4 h ILE 190 Ca 0.34 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.82 1xs4 h ILE 190 Cb 1.76 0.56 -0.00 0.00 0.47 0.00 0.00 36.82 39.61 1xs4 h ILE 190 CO 0.65 0.00 -0.04 -2.24 -3.07 0.00 0.00 178.15 173.45 1xs4 h ASP 191 N 0.00 0.00 0.40 2.19 2.03 -1.87 -2.95 116.42 116.22 1xs4 h ASP 191 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1xs4 h ASP 191 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1xs4 h ASP 191 CO -0.00 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.54 1xs4 n LYS 192 N -3.72 0.55 0.00 4.15 5.02 -0.81 -4.79 118.16 118.55 1xs4 n LYS 192 Ca -0.03 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.29 1xs4 n LYS 192 Cb 0.13 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.73 1xs4 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63