#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs6 s ARG 2 N 0.00 4.18 0.19 2.12 1.81 -1.26 -4.00 118.95 121.99 1xs6 s ARG 2 Ca 0.00 0.94 -0.32 0.00 -1.72 0.00 0.00 55.73 54.63 1xs6 s ARG 2 Cb 0.00 -2.41 -0.11 0.00 -0.45 0.00 0.00 34.95 31.98 1xs6 s ARG 2 CO 0.00 0.12 1.64 -0.51 -0.68 0.00 0.00 175.30 175.86 1xs6 s LEU 3 N -2.88 4.37 0.78 2.53 1.43 -0.30 -5.01 118.68 119.61 1xs6 s LEU 3 Ca 0.56 2.75 -0.11 0.00 -1.03 0.00 0.00 54.13 56.29 1xs6 s LEU 3 Cb -0.11 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.57 1xs6 s LEU 3 CO 0.17 -0.89 1.09 0.00 0.23 0.00 0.00 176.35 176.94 1xs6 h ASP 5 N -1.04 -0.74 -0.75 0.00 3.04 -0.29 0.65 116.42 117.28 1xs6 h ASP 5 Ca -0.47 0.23 0.09 0.00 -3.24 0.00 0.00 57.03 53.64 1xs6 h ASP 5 Cb 1.26 0.48 -0.05 0.00 -1.04 0.00 0.00 39.33 39.98 1xs6 h ASP 5 CO 0.59 -0.25 0.49 -0.09 -2.04 0.00 0.00 179.24 177.94 1xs6 h ARG 6 N -0.01 0.67 0.07 4.15 9.65 -1.92 -1.59 114.38 125.39 1xs6 h ARG 6 Ca 0.35 -0.04 -0.26 0.00 -1.10 0.00 0.00 59.98 58.92 1xs6 h ARG 6 Cb 0.55 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1xs6 h ARG 6 CO -0.76 0.44 -1.29 -0.44 2.80 0.00 0.00 179.97 180.72 1xs6 h ASP 7 N 0.69 0.23 -0.57 -3.80 3.32 -1.46 -1.82 116.42 113.00 1xs6 h ASP 7 Ca 0.34 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1xs6 h ASP 7 Cb 0.42 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1xs6 h ASP 7 CO -0.12 1.23 0.24 0.40 -1.72 0.00 0.00 179.24 179.27 1xs6 h ILE 8 N 0.04 0.84 -0.88 0.35 2.04 -0.44 -0.31 117.51 119.16 1xs6 h ILE 8 Ca -0.14 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1xs6 h ILE 8 Cb 1.92 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1xs6 h ILE 8 CO 0.15 0.08 0.56 -0.33 0.00 0.00 0.00 178.15 178.62 1xs6 h GLU 9 N 0.45 1.06 -0.29 2.37 5.08 -1.17 -1.47 114.58 120.61 1xs6 h GLU 9 Ca 0.28 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1xs6 h GLU 9 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1xs6 h GLU 9 CO -0.25 0.70 -0.06 0.00 -1.00 0.00 0.00 179.01 178.40 1xs6 h ALA 10 N 1.37 0.40 -0.71 3.43 0.00 -0.69 0.26 119.26 123.32 1xs6 h ALA 10 Ca 0.35 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xs6 h ALA 10 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1xs6 h ALA 10 CO -0.12 0.21 0.45 -1.49 0.00 0.00 0.00 179.25 178.30 1xs6 h TRP 11 N 0.32 0.85 -0.45 0.00 4.06 -0.98 0.98 115.95 120.72 1xs6 h TRP 11 Ca 0.07 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 1xs6 h TRP 11 Cb 0.53 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1xs6 h TRP 11 CO 0.05 0.49 0.20 -0.07 -3.56 0.00 0.00 178.44 175.55 1xs6 h LEU 12 N 0.89 0.61 -1.45 -4.49 3.38 -1.03 -1.22 115.31 112.01 1xs6 h LEU 12 Ca 0.28 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xs6 h LEU 12 Cb -0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1xs6 h LEU 12 CO -0.10 0.60 0.38 0.44 0.09 0.00 0.00 178.44 179.85 1xs6 h ASP 13 N 0.59 0.64 0.94 -0.43 3.32 0.08 0.24 116.42 121.80 1xs6 h ASP 13 Ca 0.15 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1xs6 h ASP 13 Cb 0.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xs6 h ASP 13 CO -0.02 0.46 -0.06 1.21 -1.72 0.00 0.00 179.24 179.12 1xs6 n GLU 14 N -4.45 0.00 -0.97 3.56 2.13 0.29 -4.89 120.64 116.31 1xs6 n GLU 14 Ca 0.06 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1xs6 n GLU 14 Cb 0.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1xs6 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs6 n GLY 15 N 1.50 0.66 0.24 8.31 0.00 0.07 -4.89 105.19 111.08 1xs6 n GLY 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1xs6 n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xs6 h ARG 16 N 1.75 0.34 -6.86 1.61 2.47 -1.47 -3.42 114.38 108.80 1xs6 h ARG 16 Ca 0.00 -0.10 -0.68 0.00 -1.26 0.00 0.00 59.98 57.94 1xs6 h ARG 16 Cb 0.06 -0.04 -0.22 0.00 -1.65 0.00 0.00 29.97 28.12 1xs6 h ARG 16 CO 0.00 0.51 -0.87 -1.17 0.56 0.00 0.00 179.97 179.00 1xs6 s LEU 17 N -8.73 2.31 -0.03 3.04 2.96 -0.87 -3.92 118.68 113.44 1xs6 s LEU 17 Ca -0.06 -0.74 0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1xs6 s LEU 17 Cb 0.15 -1.21 0.01 0.00 0.50 0.00 0.00 46.19 45.64 1xs6 s LEU 17 CO 0.76 0.18 -0.05 -0.55 -1.32 0.00 0.00 176.35 175.36 1xs6 s SER 18 N -2.00 0.92 -0.10 3.68 0.15 -0.47 -4.29 113.70 111.59 1xs6 s SER 18 Ca 0.14 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 1xs6 s SER 18 Cb -0.10 -0.37 0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1xs6 s SER 18 CO 0.06 -0.01 0.04 -0.63 1.20 0.00 0.00 173.24 173.89 1xs6 s ILE 19 N 0.60 0.18 -0.20 6.45 1.01 -1.26 0.06 121.20 128.04 1xs6 s ILE 19 Ca -0.08 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1xs6 s ILE 19 Cb -0.12 -0.50 0.05 0.00 0.01 0.00 0.00 42.46 41.91 1xs6 s ILE 19 CO 0.00 0.07 -0.04 0.20 0.00 0.00 0.00 174.94 175.18 1xs6 s ASN 20 N 2.04 3.25 0.50 3.58 0.01 0.27 -1.70 114.94 122.89 1xs6 s ASN 20 Ca 0.04 -0.90 -0.19 0.00 -0.71 0.00 0.00 52.86 51.10 1xs6 s ASN 20 Cb -0.14 -0.95 -0.08 0.00 0.41 0.00 0.00 41.25 40.49 1xs6 s ASN 20 CO -0.06 -0.23 1.01 -2.16 -1.51 0.00 0.00 177.10 174.15 1xs6 s PRO 21 N 1.58 3.86 -0.26 -0.60 0.04 -1.26 -0.37 135.00 137.99 1xs6 s PRO 21 Ca -0.02 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.91 1xs6 s PRO 21 Cb -0.17 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1xs6 s PRO 21 CO -0.07 -0.36 1.35 0.50 0.04 0.00 0.00 177.00 178.45 1xs6 s ARG 22 N -3.56 3.96 0.52 4.56 3.52 -0.69 -4.92 118.95 122.34 1xs6 s ARG 22 Ca 0.63 1.41 -0.23 0.00 -0.13 0.00 0.00 55.73 57.41 1xs6 s ARG 22 Cb -0.13 -3.88 -0.06 0.00 -1.56 0.00 0.00 34.95 29.32 1xs6 s ARG 22 CO 0.24 -1.06 1.40 -2.30 -0.81 0.00 0.00 175.30 172.76 1xs6 n PRO 23 N 7.22 1.90 -1.00 5.12 -0.02 -1.26 -4.97 135.00 141.99 1xs6 n PRO 23 Ca 0.15 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 1xs6 n PRO 23 Cb 0.46 -2.61 0.19 0.00 -0.02 0.00 0.00 33.50 31.52 1xs6 n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xs6 s PRO 24 N -2.76 0.20 0.42 0.52 0.04 -1.26 -4.86 135.00 127.31 1xs6 s PRO 24 Ca 0.68 0.68 0.10 0.00 0.04 0.00 0.00 61.00 62.50 1xs6 s PRO 24 Cb -0.42 -1.70 0.92 0.00 0.04 0.00 0.00 34.50 33.33 1xs6 s PRO 24 CO 0.52 -2.92 2.01 -0.24 0.04 0.00 0.00 177.00 176.40 1xs6 h VAL 25 N -2.04 1.12 0.00 -0.36 3.04 -1.93 -0.59 116.25 115.49 1xs6 h VAL 25 Ca -0.55 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1xs6 h VAL 25 Cb 1.32 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1xs6 h VAL 25 CO 0.55 0.15 0.00 -1.84 -1.01 0.00 0.00 177.57 175.42 1xs6 n GLU 26 N -4.39 0.03 -0.07 4.17 0.28 -1.26 -1.66 120.64 117.74 1xs6 n GLU 26 Ca -0.00 0.40 0.06 0.00 -0.16 0.00 0.00 57.16 57.45 1xs6 n GLU 26 Cb 0.17 -1.56 0.09 0.00 1.43 0.00 0.00 31.44 31.57 1xs6 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xs6 n ARG 27 N -1.62 1.50 -3.84 3.44 5.12 -0.24 -4.83 116.66 116.20 1xs6 n ARG 27 Ca 0.02 -1.53 -0.35 0.00 -1.93 0.00 0.00 57.85 54.05 1xs6 n ARG 27 Cb 0.09 -1.24 -0.13 0.00 -1.16 0.00 0.00 32.46 30.02 1xs6 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs6 s ILE 28 N -0.97 3.10 -0.06 0.55 1.01 -0.66 -1.69 121.20 122.48 1xs6 s ILE 28 Ca 0.18 -1.89 -0.10 0.00 0.00 0.00 0.00 60.65 58.83 1xs6 s ILE 28 Cb 0.11 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1xs6 s ILE 28 CO 0.15 -0.51 0.26 0.54 0.00 0.00 0.00 174.94 175.37 1xs6 s ASN 29 N 1.55 -0.20 0.93 3.58 2.20 -0.46 -4.91 114.94 117.63 1xs6 s ASN 29 Ca 0.05 0.29 0.00 0.00 -0.94 0.00 0.00 52.86 52.25 1xs6 s ASN 29 Cb -0.21 0.43 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 1xs6 s ASN 29 CO -0.04 -0.24 0.00 0.61 -2.94 0.00 0.00 177.10 174.50 1xs6 n GLY 30 N 2.24 1.59 0.51 0.45 0.00 -1.26 -1.62 105.19 107.10 1xs6 n GLY 30 Ca -0.17 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1xs6 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 n ALA 31 N 6.88 2.59 -2.31 4.61 0.00 -1.26 0.47 120.51 131.48 1xs6 n ALA 31 Ca 0.00 -2.42 -0.08 0.00 0.00 0.00 0.00 53.44 50.94 1xs6 n ALA 31 Cb 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 1xs6 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs6 s THR 32 N -1.93 0.19 -0.14 0.00 -4.23 -0.64 -4.34 115.64 104.54 1xs6 s THR 32 Ca 0.27 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1xs6 s THR 32 Cb 0.26 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.75 1xs6 s THR 32 CO -0.03 -0.85 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.37 1xs6 s VAL 33 N -3.63 2.88 0.29 2.29 1.01 -0.31 -1.35 120.40 121.59 1xs6 s VAL 33 Ca 0.04 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1xs6 s VAL 33 Cb 0.05 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1xs6 s VAL 33 CO -0.09 0.52 1.04 -1.81 0.00 0.00 0.00 175.10 174.76 1xs6 s ASP 34 N 0.55 7.28 0.25 3.32 1.01 -0.68 -0.43 116.67 127.97 1xs6 s ASP 34 Ca -0.09 2.13 0.10 0.00 0.71 0.00 0.00 52.55 55.40 1xs6 s ASP 34 Cb -0.16 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1xs6 s ASP 34 CO 0.04 -0.12 -0.17 0.68 0.21 0.00 0.00 175.17 175.81 1xs6 s VAL 35 N -1.28 2.14 0.29 -1.27 -7.23 -0.47 -4.92 120.40 107.66 1xs6 s VAL 35 Ca 0.46 -2.31 0.11 0.00 -1.81 0.00 0.00 61.98 58.43 1xs6 s VAL 35 Cb -0.28 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1xs6 s VAL 35 CO 0.35 -0.47 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.41 1xs6 s ARG 36 N -3.58 1.82 0.11 4.82 0.52 -1.26 -0.86 118.95 120.53 1xs6 s ARG 36 Ca 0.27 -1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 53.45 1xs6 s ARG 36 Cb -0.03 -1.83 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 1xs6 s ARG 36 CO 0.12 0.29 0.93 -1.17 0.02 0.00 0.00 175.30 175.49 1xs6 s LEU 37 N -3.56 4.50 0.00 2.53 2.96 0.21 -0.78 118.68 124.54 1xs6 s LEU 37 Ca 0.31 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1xs6 s LEU 37 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1xs6 s LEU 37 CO 0.16 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 1xs6 n GLY 38 N 2.21 -0.79 0.05 7.98 0.00 0.16 0.17 105.19 114.97 1xs6 n GLY 38 Ca 0.01 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1xs6 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs6 n ASN 39 N -0.64 1.96 -4.63 1.61 6.94 -1.26 -4.21 115.26 115.03 1xs6 n ASN 39 Ca 0.00 -1.89 -0.34 0.00 -0.02 0.00 0.00 54.58 52.33 1xs6 n ASN 39 Cb 0.00 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.30 1xs6 n ASN 39 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xs6 s LYS 40 N -0.89 3.34 0.05 -3.83 1.02 -1.26 -1.00 119.74 117.17 1xs6 s LYS 40 Ca 0.02 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 1xs6 s LYS 40 Cb 0.01 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1xs6 s LYS 40 CO 0.01 0.51 0.06 -0.06 -0.92 0.00 0.00 175.35 174.95 1xs6 s PHE 41 N -0.34 0.32 -0.05 3.18 0.40 0.14 -3.45 117.98 118.18 1xs6 s PHE 41 Ca 0.07 -0.75 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 1xs6 s PHE 41 Cb -0.12 -0.22 0.02 0.00 0.51 0.00 0.00 43.02 43.20 1xs6 s PHE 41 CO 0.02 -0.40 0.19 0.50 0.70 0.00 0.00 175.22 176.23 1xs6 s ARG 42 N -3.37 0.33 0.37 0.44 3.52 -0.41 0.72 118.95 120.55 1xs6 s ARG 42 Ca 0.02 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1xs6 s ARG 42 Cb 0.03 0.15 -0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1xs6 s ARG 42 CO -0.08 -0.06 0.01 0.25 -0.81 0.00 0.00 175.30 174.61 1xs6 n THR 43 N 2.48 0.00 -4.51 4.11 -2.24 -1.26 -1.78 114.28 111.08 1xs6 n THR 43 Ca -0.16 -1.76 -0.30 0.00 -2.27 0.00 0.00 64.05 59.55 1xs6 n THR 43 Cb 0.58 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1xs6 n THR 43 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xs6 s PHE 44 N -2.37 2.59 -0.65 4.78 0.40 -1.26 -0.45 117.98 121.02 1xs6 s PHE 44 Ca 0.01 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1xs6 s PHE 44 Cb 0.00 -1.44 0.16 0.00 0.51 0.00 0.00 43.02 42.25 1xs6 s PHE 44 CO 0.01 0.31 0.42 1.03 0.70 0.00 0.00 175.22 177.69 1xs6 s ARG 45 N -1.69 2.34 0.42 0.44 0.52 0.43 -4.88 118.95 116.54 1xs6 s ARG 45 Ca 0.16 -3.06 0.18 0.00 -0.52 0.00 0.00 55.73 52.50 1xs6 s ARG 45 Cb -0.11 -3.43 0.95 0.00 0.52 0.00 0.00 34.95 32.88 1xs6 s ARG 45 CO 0.07 -1.22 1.89 0.78 0.02 0.00 0.00 175.30 176.85 1xs6 h GLY 46 N 5.88 0.00 2.00 -3.53 0.00 -1.92 -3.09 103.07 102.41 1xs6 h GLY 46 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xs6 h GLY 46 CO 0.72 0.00 0.00 1.12 0.00 0.00 0.00 176.54 178.38 1xs6 h HIS 47 N 0.00 0.00 0.00 5.60 2.07 -1.97 -2.49 115.15 118.36 1xs6 h HIS 47 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xs6 h HIS 47 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 1xs6 h HIS 47 CO 0.00 0.00 -0.06 0.25 -3.07 0.00 0.00 177.93 175.05 1xs6 n THR 48 N -2.90 0.11 -3.79 6.12 -2.24 -1.17 -4.91 114.28 105.50 1xs6 n THR 48 Ca -0.01 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1xs6 n THR 48 Cb 0.19 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 1xs6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs6 s ALA 49 N -3.02 -0.54 0.04 6.98 0.00 -0.94 -4.93 121.76 119.35 1xs6 s ALA 49 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1xs6 s ALA 49 Cb 0.18 0.31 -0.30 0.00 0.00 0.00 0.00 23.12 23.30 1xs6 s ALA 49 CO 0.56 -0.40 1.01 0.00 0.00 0.00 0.00 175.76 176.93 1xs6 h ALA 50 N 3.30 0.07 -2.44 0.00 0.00 -1.91 -3.47 119.26 114.80 1xs6 h ALA 50 Ca -0.32 -0.95 0.16 0.00 0.00 0.00 0.00 54.91 53.80 1xs6 h ALA 50 Cb 1.20 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1xs6 h ALA 50 CO 0.47 0.94 0.51 -0.59 0.00 0.00 0.00 179.25 180.58 1xs6 s PHE 51 N -2.63 -0.04 -0.19 0.00 -0.12 -1.26 -5.14 117.98 108.60 1xs6 s PHE 51 Ca -0.07 -0.32 -0.01 0.00 -0.05 0.00 0.00 56.93 56.48 1xs6 s PHE 51 Cb 0.06 0.67 0.01 0.00 -0.63 0.00 0.00 43.02 43.13 1xs6 s PHE 51 CO 0.89 -0.91 -0.15 0.42 -0.05 0.00 0.00 175.22 175.42 1xs6 s ILE 52 N -2.84 2.51 -0.72 -4.49 1.01 -1.26 -4.99 121.20 110.41 1xs6 s ILE 52 Ca 0.16 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 1xs6 s ILE 52 Cb -0.02 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.43 1xs6 s ILE 52 CO 0.04 0.50 1.09 -0.62 0.00 0.00 0.00 174.94 175.95 1xs6 s ASP 53 N 1.31 6.22 0.55 3.58 -1.08 -1.26 -4.87 116.67 121.12 1xs6 s ASP 53 Ca 0.04 -0.94 0.24 0.00 -0.52 0.00 0.00 52.55 51.37 1xs6 s ASP 53 Cb -0.14 -2.46 1.49 0.00 -1.46 0.00 0.00 42.92 40.36 1xs6 s ASP 53 CO -0.09 -1.53 2.10 -0.07 0.52 0.00 0.00 175.17 176.11 1xs6 h LEU 54 N 11.81 0.00 -4.37 -1.34 3.38 -1.98 -2.83 115.31 119.98 1xs6 h LEU 54 Ca -0.23 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.27 1xs6 h LEU 54 Cb 1.06 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.39 1xs6 h LEU 54 CO 1.22 0.00 -0.90 -0.24 0.09 0.00 0.00 178.44 178.60 1xs6 n SER 55 N -4.17 3.84 -3.49 -0.43 2.88 -1.26 -4.85 113.62 106.15 1xs6 n SER 55 Ca 0.02 -3.27 -0.12 0.00 -1.33 0.00 0.00 58.87 54.17 1xs6 n SER 55 Cb 0.31 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.38 1xs6 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xs6 n GLY 56 N -0.59 2.52 3.72 0.46 0.00 -1.07 -5.06 105.19 105.17 1xs6 n GLY 56 Ca 0.32 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1xs6 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs6 n PRO 57 N -1.36 2.64 -0.32 1.61 -0.02 -1.26 -4.84 135.00 131.45 1xs6 n PRO 57 Ca 0.03 0.95 -0.11 0.00 -2.02 0.00 0.00 63.50 62.34 1xs6 n PRO 57 Cb 0.32 -2.75 -0.09 0.00 -0.02 0.00 0.00 33.50 30.96 1xs6 n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xs6 h LYS 58 N 5.66 -0.14 -0.43 -0.52 3.64 -1.97 -1.81 116.57 121.00 1xs6 h LYS 58 Ca -0.45 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1xs6 h LYS 58 Cb 1.22 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1xs6 h LYS 58 CO 0.87 -0.09 0.18 -0.44 -2.27 0.00 0.00 179.45 177.70 1xs6 h ASP 59 N -0.14 0.59 -0.91 4.20 5.19 -1.91 -0.47 116.42 122.97 1xs6 h ASP 59 Ca 0.14 -0.16 0.16 0.00 -0.62 0.00 0.00 57.03 56.56 1xs6 h ASP 59 Cb 0.49 -0.15 -0.10 0.00 0.18 0.00 0.00 39.33 39.75 1xs6 h ASP 59 CO -0.82 0.58 0.50 -0.33 -3.12 0.00 0.00 179.24 176.05 1xs6 h GLU 60 N 0.55 0.66 -0.07 3.56 5.08 -1.86 -0.90 114.58 121.60 1xs6 h GLU 60 Ca 0.14 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1xs6 h GLU 60 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xs6 h GLU 60 CO -0.01 0.43 -0.34 0.28 -1.00 0.00 0.00 179.01 178.37 1xs6 h VAL 61 N 0.68 1.42 -0.55 3.13 2.07 -0.56 -2.17 116.25 120.28 1xs6 h VAL 61 Ca 0.51 -1.75 0.06 0.00 0.82 0.00 0.00 66.70 66.33 1xs6 h VAL 61 Cb 0.74 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.80 1xs6 h VAL 61 CO -0.37 0.50 0.26 -1.28 0.02 0.00 0.00 177.57 176.71 1xs6 h SER 62 N -0.14 0.36 -0.38 0.57 0.87 -0.89 -0.77 113.55 113.16 1xs6 h SER 62 Ca -0.02 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1xs6 h SER 62 Cb 1.00 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1xs6 h SER 62 CO 0.07 0.24 0.25 0.00 -0.53 0.00 0.00 176.83 176.86 1xs6 h ALA 63 N 1.31 0.48 -0.17 6.23 0.00 -1.14 -1.77 119.26 124.21 1xs6 h ALA 63 Ca 0.25 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xs6 h ALA 63 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xs6 h ALA 63 CO -0.19 -0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.00 1xs6 h ALA 64 N 1.14 0.15 -0.74 0.00 0.00 -0.91 -1.82 119.26 117.09 1xs6 h ALA 64 Ca 0.14 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1xs6 h ALA 64 Cb -0.06 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1xs6 h ALA 64 CO -0.03 -0.43 0.40 -0.07 0.00 0.00 0.00 179.25 179.12 1xs6 h LEU 65 N 0.06 0.57 -0.78 0.00 3.38 -0.98 -0.91 115.31 116.66 1xs6 h LEU 65 Ca 0.08 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1xs6 h LEU 65 Cb 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xs6 h LEU 65 CO -0.13 0.34 -0.43 0.44 0.09 0.00 0.00 178.44 178.75 1xs6 h ASP 66 N 0.70 0.42 -0.07 -0.43 5.19 -1.03 -1.08 116.42 120.12 1xs6 h ASP 66 Ca 0.35 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1xs6 h ASP 66 Cb 0.30 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 1xs6 h ASP 66 CO -0.23 0.80 -0.02 0.03 -3.12 0.00 0.00 179.24 176.70 1xs6 h ARG 67 N 0.32 0.15 0.00 3.56 3.08 -0.85 -3.35 114.38 117.29 1xs6 h ARG 67 Ca 0.02 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1xs6 h ARG 67 Cb 0.90 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1xs6 h ARG 67 CO 0.08 0.48 -0.69 -0.39 -1.07 0.00 0.00 179.97 178.37 1xs6 h VAL 68 N -0.20 1.29 -3.27 2.04 -1.51 -0.95 -3.44 116.25 110.21 1xs6 h VAL 68 Ca 0.02 -2.55 -0.54 0.00 -1.23 0.00 0.00 66.70 62.40 1xs6 h VAL 68 Cb 0.43 2.46 -0.02 0.00 -2.13 0.00 0.00 31.29 32.03 1xs6 h VAL 68 CO 0.01 0.68 0.51 -0.04 -1.23 0.00 0.00 177.57 177.50 1xs6 s MET 69 N -3.08 4.46 0.97 5.19 -1.94 -0.43 0.16 119.30 124.64 1xs6 s MET 69 Ca 0.01 1.56 -0.11 0.00 -1.71 0.00 0.00 55.69 55.44 1xs6 s MET 69 Cb 0.10 -3.46 0.17 0.00 2.01 0.00 0.00 34.83 33.65 1xs6 s MET 69 CO 0.77 -0.22 1.09 -1.54 -0.01 0.00 0.00 175.02 175.10 1xs6 s SER 70 N 1.12 2.70 0.81 3.03 1.04 0.40 -4.88 113.70 117.92 1xs6 s SER 70 Ca 0.54 1.71 -0.12 0.00 0.48 0.00 0.00 55.95 58.56 1xs6 s SER 70 Cb -0.24 -2.34 0.08 0.00 0.10 0.00 0.00 66.02 63.63 1xs6 s SER 70 CO 0.26 -3.16 1.14 -0.62 0.98 0.00 0.00 173.24 171.84 1xs6 s ASP 71 N -2.97 3.89 0.01 7.02 2.15 -1.26 -4.71 116.67 120.80 1xs6 s ASP 71 Ca 0.66 2.10 -0.32 0.00 0.43 0.00 0.00 52.55 55.41 1xs6 s ASP 71 Cb -0.21 -2.56 -0.11 0.00 -0.30 0.00 0.00 42.92 39.75 1xs6 s ASP 71 CO 0.59 -2.46 1.89 1.21 -0.17 0.00 0.00 175.17 176.23 1xs6 n GLU 72 N -3.51 2.54 -2.89 4.34 2.13 -1.26 -4.63 120.64 117.35 1xs6 n GLU 72 Ca 0.11 0.93 -0.41 0.00 0.66 0.00 0.00 57.16 58.45 1xs6 n GLU 72 Cb 0.52 -2.82 -0.04 0.00 0.27 0.00 0.00 31.44 29.37 1xs6 n GLU 72 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xs6 s ILE 73 N 3.75 4.92 -0.22 6.31 1.01 0.22 -4.92 121.20 132.27 1xs6 s ILE 73 Ca 0.88 1.68 -0.03 0.00 0.00 0.00 0.00 60.65 63.19 1xs6 s ILE 73 Cb -0.56 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 37.76 1xs6 s ILE 73 CO 0.45 0.11 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 1xs6 s VAL 74 N 1.57 3.11 -0.07 2.92 1.01 -1.26 -0.68 120.40 126.99 1xs6 s VAL 74 Ca 0.41 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1xs6 s VAL 74 Cb -0.18 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1xs6 s VAL 74 CO 0.17 0.39 0.99 -0.76 0.00 0.00 0.00 175.10 175.89 1xs6 s LEU 75 N 1.43 4.29 1.42 3.92 1.43 -0.17 -5.04 118.68 125.95 1xs6 s LEU 75 Ca 0.05 1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 54.50 1xs6 s LEU 75 Cb -0.15 -3.55 0.36 0.00 0.03 0.00 0.00 46.19 42.88 1xs6 s LEU 75 CO -0.05 -0.38 0.88 0.47 0.23 0.00 0.00 176.35 177.50 1xs6 n ASP 76 N 4.62 -3.73 -4.70 2.29 10.43 -1.26 -4.93 116.55 119.27 1xs6 n ASP 76 Ca 0.08 -0.73 -0.42 0.00 2.57 0.00 0.00 54.79 56.29 1xs6 n ASP 76 Cb 0.50 -1.04 -0.03 0.00 1.84 0.00 0.00 41.12 42.38 1xs6 n ASP 76 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1xs6 s GLU 77 N -4.88 4.17 0.00 -1.24 -6.30 -1.26 -3.38 118.70 105.81 1xs6 s GLU 77 Ca 0.67 2.48 0.00 0.00 -2.50 0.00 0.00 54.97 55.61 1xs6 s GLU 77 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 34.13 30.61 1xs6 s GLU 77 CO 0.58 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1xs6 n GLY 78 N 4.01 0.84 3.92 -1.50 0.00 -1.26 -5.03 105.19 106.16 1xs6 n GLY 78 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1xs6 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xs6 s GLU 79 N -0.03 3.56 0.14 1.61 2.12 -1.22 -5.12 118.70 119.76 1xs6 s GLU 79 Ca 0.00 -0.24 0.10 0.00 0.36 0.00 0.00 54.97 55.19 1xs6 s GLU 79 Cb 0.00 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 1xs6 s GLU 79 CO 0.00 0.39 -0.20 0.00 -0.54 0.00 0.00 175.26 174.91 1xs6 s ALA 80 N -1.85 2.62 -0.24 6.30 0.00 -1.26 -4.56 121.76 122.76 1xs6 s ALA 80 Ca 0.40 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1xs6 s ALA 80 Cb -0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1xs6 s ALA 80 CO 0.28 0.53 0.18 0.12 0.00 0.00 0.00 175.76 176.87 1xs6 s PHE 81 N -1.31 3.31 -0.56 0.00 5.36 -0.09 -4.93 117.98 119.75 1xs6 s PHE 81 Ca 0.19 0.24 -0.19 0.00 -0.96 0.00 0.00 56.93 56.20 1xs6 s PHE 81 Cb -0.10 -2.31 0.08 0.00 -0.34 0.00 0.00 43.02 40.36 1xs6 s PHE 81 CO 0.10 0.03 0.70 0.71 -1.46 0.00 0.00 175.22 175.30 1xs6 s TYR 82 N 1.18 2.98 -0.60 10.12 1.51 -1.26 -0.74 117.35 130.54 1xs6 s TYR 82 Ca 0.08 -0.72 -0.23 0.00 -1.01 0.00 0.00 57.07 55.20 1xs6 s TYR 82 Cb -0.14 -3.85 0.06 0.00 -0.11 0.00 0.00 41.96 37.92 1xs6 s TYR 82 CO 0.06 -1.22 0.92 -1.17 -1.11 0.00 0.00 175.55 173.02 1xs6 s LEU 83 N 2.83 4.34 0.46 -1.29 2.96 -0.15 -4.92 118.68 122.92 1xs6 s LEU 83 Ca 0.15 -0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 1xs6 s LEU 83 Cb -0.21 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.82 1xs6 s LEU 83 CO 0.09 -1.30 0.92 -1.00 -1.32 0.00 0.00 176.35 173.74 1xs6 s HIS 84 N 3.86 3.42 0.25 5.38 3.76 -1.26 -1.57 115.29 129.13 1xs6 s HIS 84 Ca 0.24 1.39 -0.31 0.00 -0.15 0.00 0.00 55.06 56.23 1xs6 s HIS 84 Cb -0.15 -2.71 -0.13 0.00 1.11 0.00 0.00 32.58 30.69 1xs6 s HIS 84 CO 0.14 -0.23 1.46 -2.30 -0.85 0.00 0.00 174.74 172.95 1xs6 n PRO 85 N -1.26 2.18 -0.64 8.40 -0.02 -1.26 -2.52 135.00 139.89 1xs6 n PRO 85 Ca 0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1xs6 n PRO 85 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1xs6 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs6 n GLY 86 N 2.25 0.74 3.50 -1.23 0.00 -0.28 -5.02 105.19 105.16 1xs6 n GLY 86 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1xs6 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs6 s GLU 87 N -0.36 3.69 -0.04 1.61 0.41 -1.05 -4.99 118.70 117.98 1xs6 s GLU 87 Ca 0.00 -0.50 -0.15 0.00 -0.41 0.00 0.00 54.97 53.91 1xs6 s GLU 87 Cb 0.00 -2.96 -0.05 0.00 -1.78 0.00 0.00 34.13 29.34 1xs6 s GLU 87 CO 0.00 0.22 0.39 -1.17 -0.49 0.00 0.00 175.26 174.21 1xs6 s LEU 88 N 0.43 4.41 0.05 1.80 2.96 -1.26 -3.04 118.68 124.04 1xs6 s LEU 88 Ca -0.03 0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 54.70 1xs6 s LEU 88 Cb -0.14 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1xs6 s LEU 88 CO 0.03 0.25 0.08 0.00 -1.32 0.00 0.00 176.35 175.39 1xs6 s ALA 89 N -0.62 0.04 0.01 5.97 0.00 -0.54 -4.68 121.76 121.93 1xs6 s ALA 89 Ca 0.23 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1xs6 s ALA 89 Cb -0.16 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1xs6 s ALA 89 CO 0.11 -0.37 0.01 -0.51 0.00 0.00 0.00 175.76 175.01 1xs6 s LEU 90 N -2.45 3.56 0.00 0.00 1.43 -0.73 -0.62 118.68 119.87 1xs6 s LEU 90 Ca -0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1xs6 s LEU 90 Cb 0.02 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1xs6 s LEU 90 CO -0.07 0.27 0.00 0.00 0.23 0.00 0.00 176.35 176.78 1xs6 n ALA 91 N 1.27 0.00 -3.16 4.21 0.00 0.14 -1.29 120.51 121.68 1xs6 n ALA 91 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1xs6 n ALA 91 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 1xs6 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs6 s VAL 92 N -2.35 0.07 0.50 0.00 0.11 -1.22 -0.34 120.40 117.16 1xs6 s VAL 92 Ca 0.00 -0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 58.30 1xs6 s VAL 92 Cb 0.00 -0.73 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 1xs6 s VAL 92 CO 0.00 -0.30 1.11 0.42 -3.33 0.00 0.00 175.10 173.00 1xs6 s THR 93 N -1.76 3.36 0.09 5.04 -4.23 -0.05 0.35 115.64 118.45 1xs6 s THR 93 Ca -0.11 0.89 -0.19 0.00 -1.18 0.00 0.00 61.69 61.10 1xs6 s THR 93 Cb -0.04 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.34 1xs6 s THR 93 CO 0.02 -0.14 1.62 0.25 -0.54 0.00 0.00 174.62 175.82 1xs6 h LEU 94 N 1.52 0.32 -9.96 4.79 5.85 -1.13 -3.38 115.31 113.32 1xs6 h LEU 94 Ca -0.50 -0.19 -0.48 0.00 0.84 0.00 0.00 57.88 57.56 1xs6 h LEU 94 Cb 1.25 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.20 1xs6 h LEU 94 CO 0.58 0.42 0.40 -1.61 -0.34 0.00 0.00 178.44 177.90 1xs6 s GLU 95 N -5.46 4.20 -0.10 1.25 8.01 -1.26 -4.80 118.70 120.55 1xs6 s GLU 95 Ca -0.14 1.47 -0.07 0.00 0.01 0.00 0.00 54.97 56.24 1xs6 s GLU 95 Cb 0.08 -2.54 -0.04 0.00 -4.31 0.00 0.00 34.13 27.32 1xs6 s GLU 95 CO 0.72 -0.10 0.17 0.45 0.01 0.00 0.00 175.26 176.51 1xs6 s SER 96 N -1.61 6.43 -0.07 -0.19 0.15 0.50 -4.19 113.70 114.71 1xs6 s SER 96 Ca 0.57 0.50 0.04 0.00 0.70 0.00 0.00 55.95 57.77 1xs6 s SER 96 Cb -0.21 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1xs6 s SER 96 CO 0.26 0.38 -0.19 -0.69 1.20 0.00 0.00 173.24 174.21 1xs6 s VAL 97 N -1.07 1.61 -0.16 4.45 1.01 -0.09 -0.56 120.40 125.58 1xs6 s VAL 97 Ca 0.17 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1xs6 s VAL 97 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1xs6 s VAL 97 CO 0.07 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.56 1xs6 s THR 98 N 0.29 2.41 -0.06 3.92 2.01 0.11 -1.37 115.64 122.96 1xs6 s THR 98 Ca -0.12 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 1xs6 s THR 98 Cb -0.15 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1xs6 s THR 98 CO 0.05 0.52 0.00 -0.76 -0.69 0.00 0.00 174.62 173.75 1xs6 s LEU 99 N 0.94 3.57 0.00 4.42 1.43 0.18 -1.37 118.68 127.84 1xs6 s LEU 99 Ca -0.03 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 1xs6 s LEU 99 Cb -0.15 -1.90 0.21 0.00 0.03 0.00 0.00 46.19 44.39 1xs6 s LEU 99 CO -0.03 0.34 0.99 -0.81 0.23 0.00 0.00 176.35 177.08 1xs6 n PRO 100 N 1.87 -1.82 0.14 1.29 -0.04 -1.25 -1.62 135.00 133.57 1xs6 n PRO 100 Ca -0.17 -1.56 0.12 0.00 -0.04 0.00 0.00 63.50 61.86 1xs6 n PRO 100 Cb 0.53 -1.21 0.49 0.00 -0.04 0.00 0.00 33.50 33.27 1xs6 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xs6 h ALA 101 N -2.18 1.00 -0.20 0.55 0.00 -1.92 -2.68 119.26 113.82 1xs6 h ALA 101 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xs6 h ALA 101 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xs6 h ALA 101 CO 0.23 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1xs6 n ASP 102 N -2.31 3.12 -4.01 0.00 5.75 -1.26 -0.46 116.55 117.38 1xs6 n ASP 102 Ca 0.03 -2.65 -0.19 0.00 -0.01 0.00 0.00 54.79 51.97 1xs6 n ASP 102 Cb 0.27 -0.38 -0.15 0.00 -1.03 0.00 0.00 41.12 39.84 1xs6 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs6 s LEU 103 N -2.15 1.99 0.18 -2.12 2.96 -1.22 -0.30 118.68 118.01 1xs6 s LEU 103 Ca 0.30 -0.16 0.11 0.00 -0.22 0.00 0.00 54.13 54.16 1xs6 s LEU 103 Cb 0.23 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 1xs6 s LEU 103 CO 0.08 0.10 -0.21 0.54 -1.32 0.00 0.00 176.35 175.55 1xs6 s VAL 104 N -0.15 2.56 0.13 1.68 0.11 -0.09 -3.08 120.40 121.56 1xs6 s VAL 104 Ca 0.03 -1.89 0.07 0.00 -2.93 0.00 0.00 61.98 57.26 1xs6 s VAL 104 Cb -0.04 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 1xs6 s VAL 104 CO -0.00 -0.08 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.69 1xs6 s GLY 105 N -2.62 1.20 -0.04 6.54 0.00 0.51 -0.52 107.32 112.39 1xs6 s GLY 105 Ca 0.21 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 1xs6 s GLY 105 CO 0.11 -1.36 0.05 -0.98 0.00 0.00 0.00 173.10 170.91 1xs6 s TRP 106 N -1.83 0.15 -0.10 1.90 0.52 -0.47 0.11 118.94 119.22 1xs6 s TRP 106 Ca 0.10 0.18 -0.20 0.00 0.02 0.00 0.00 56.10 56.20 1xs6 s TRP 106 Cb -0.07 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.71 1xs6 s TRP 106 CO 0.04 -0.20 0.54 -1.17 0.02 0.00 0.00 176.95 176.19 1xs6 s LEU 107 N 2.01 4.30 0.20 2.99 2.96 0.98 -1.98 118.68 130.14 1xs6 s LEU 107 Ca 0.03 0.93 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 1xs6 s LEU 107 Cb -0.12 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1xs6 s LEU 107 CO -0.03 -0.02 0.07 -1.81 -1.32 0.00 0.00 176.35 173.23 1xs6 s ASP 108 N 0.60 5.04 0.00 3.68 1.01 0.17 -4.86 116.67 122.32 1xs6 s ASP 108 Ca 0.29 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 53.20 1xs6 s ASP 108 Cb -0.16 -1.15 0.00 0.00 1.01 0.00 0.00 42.92 42.62 1xs6 s ASP 108 CO 0.13 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.16 1xs6 n GLY 109 N -0.50 1.02 2.94 0.21 0.00 -1.26 -1.09 105.19 106.50 1xs6 n GLY 109 Ca -0.08 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1xs6 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs6 s ARG 110 N 0.70 0.16 0.30 1.61 0.52 -1.26 -3.88 118.95 117.09 1xs6 s ARG 110 Ca 0.00 -0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1xs6 s ARG 110 Cb 0.00 0.06 0.48 0.00 0.52 0.00 0.00 34.95 36.01 1xs6 s ARG 110 CO 0.00 -0.03 1.96 1.03 0.02 0.00 0.00 175.30 178.28 1xs6 h SER 111 N 5.45 0.92 -0.09 0.23 0.87 -1.98 0.25 113.55 119.19 1xs6 h SER 111 Ca -0.28 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1xs6 h SER 111 Cb 1.21 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1xs6 h SER 111 CO 0.46 0.65 0.06 0.28 -0.53 0.00 0.00 176.83 177.75 1xs6 h SER 112 N 1.08 0.12 0.26 6.23 0.02 -1.99 -2.09 113.55 117.18 1xs6 h SER 112 Ca 0.31 -0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.92 1xs6 h SER 112 Cb -0.06 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1xs6 h SER 112 CO -0.08 0.09 -1.84 -0.07 -1.14 0.00 0.00 176.83 173.80 1xs6 h LEU 113 N 0.14 0.35 -0.69 5.07 3.38 -1.53 -3.32 115.31 118.71 1xs6 h LEU 113 Ca 0.04 -0.69 0.11 0.00 0.09 0.00 0.00 57.88 57.43 1xs6 h LEU 113 Cb -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 1xs6 h LEU 113 CO -0.01 1.61 0.29 0.00 0.09 0.00 0.00 178.44 180.42 1xs6 h ALA 114 N 0.34 0.93 0.00 1.53 0.00 -0.41 -1.04 119.26 120.61 1xs6 h ALA 114 Ca -0.36 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xs6 h ALA 114 Cb 2.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1xs6 h ALA 114 CO 0.11 -0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1xs6 n ARG 115 N -4.96 0.44 0.00 0.00 1.74 -0.80 -1.17 116.66 111.91 1xs6 n ARG 115 Ca 0.11 0.06 0.05 0.00 -0.77 0.00 0.00 57.85 57.30 1xs6 n ARG 115 Cb 0.32 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1xs6 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs6 n LEU 116 N -1.15 1.78 0.00 0.55 4.77 -0.49 -5.02 117.00 117.44 1xs6 n LEU 116 Ca 0.12 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1xs6 n LEU 116 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1xs6 n LEU 116 CO 0.13 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1xs6 n GLY 117 N 0.62 0.72 3.56 -0.72 0.00 -0.31 -3.96 105.19 105.10 1xs6 n GLY 117 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1xs6 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs6 s LEU 118 N 0.00 3.80 0.09 0.99 2.96 -0.62 -0.60 118.68 125.30 1xs6 s LEU 118 Ca 0.00 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.72 1xs6 s LEU 118 Cb 0.00 -3.15 -0.06 0.00 0.50 0.00 0.00 46.19 43.47 1xs6 s LEU 118 CO 0.00 -1.26 0.74 -0.04 -1.32 0.00 0.00 176.35 174.47 1xs6 s MET 119 N 4.28 4.49 0.00 1.98 -1.94 -0.05 -4.15 119.30 123.91 1xs6 s MET 119 Ca 0.39 1.05 0.16 0.00 -1.71 0.00 0.00 55.69 55.58 1xs6 s MET 119 Cb -0.09 -3.32 0.21 0.00 2.01 0.00 0.00 34.83 33.63 1xs6 s MET 119 CO 0.25 0.42 1.09 1.33 -0.01 0.00 0.00 175.02 178.10 1xs6 n VAL 120 N 2.29 0.26 -3.58 -6.03 0.24 -1.26 -2.01 118.33 108.25 1xs6 n VAL 120 Ca -0.04 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 1xs6 n VAL 120 Cb 0.50 1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 1xs6 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs6 s HIS 121 N -1.23 -0.32 -0.66 6.34 -3.43 -1.11 -3.73 115.29 111.15 1xs6 s HIS 121 Ca 0.22 0.09 -0.00 0.00 -0.80 0.00 0.00 55.06 54.57 1xs6 s HIS 121 Cb 0.14 0.34 0.17 0.00 -1.43 0.00 0.00 32.58 31.80 1xs6 s HIS 121 CO 0.20 -0.72 0.47 0.08 -2.00 0.00 0.00 174.74 172.77 1xs6 s VAL 122 N -3.53 3.48 -0.51 -5.38 1.01 -1.26 -4.84 120.40 109.38 1xs6 s VAL 122 Ca 0.01 -3.40 -0.11 0.00 0.00 0.00 0.00 61.98 58.49 1xs6 s VAL 122 Cb 0.01 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1xs6 s VAL 122 CO -0.10 -0.92 0.20 0.35 0.00 0.00 0.00 175.10 174.63 1xs6 n THR 123 N 2.97 -0.86 -3.18 3.92 -2.24 -1.26 -4.90 114.28 108.74 1xs6 n THR 123 Ca 0.11 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1xs6 n THR 123 Cb 0.36 -0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1xs6 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs6 s ALA 124 N -4.20 -2.41 -0.02 6.98 0.00 -1.26 -5.06 121.76 115.79 1xs6 s ALA 124 Ca 0.15 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1xs6 s ALA 124 Cb -0.08 -2.64 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1xs6 s ALA 124 CO 0.39 -2.02 0.83 -2.39 0.00 0.00 0.00 175.76 172.56 1xs6 n HIS 125 N 4.93 0.00 -3.16 0.00 -0.00 -1.26 -4.89 115.22 110.83 1xs6 n HIS 125 Ca 0.08 -0.31 -0.39 0.00 -0.00 0.00 0.00 57.72 57.10 1xs6 n HIS 125 Cb 0.56 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.45 1xs6 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs6 s ARG 126 N -0.73 4.39 -0.33 -1.40 3.52 -1.26 -0.02 118.95 123.12 1xs6 s ARG 126 Ca 0.04 0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 56.26 1xs6 s ARG 126 Cb 0.04 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1xs6 s ARG 126 CO 0.00 0.10 0.10 0.42 -0.81 0.00 0.00 175.30 175.11 1xs6 s ILE 127 N 0.74 3.81 0.61 4.11 -1.09 0.30 -4.96 121.20 124.71 1xs6 s ILE 127 Ca 0.32 -1.02 -0.15 0.00 -2.23 0.00 0.00 60.65 57.57 1xs6 s ILE 127 Cb -0.17 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1xs6 s ILE 127 CO 0.15 -0.11 1.05 -1.81 -1.23 0.00 0.00 174.94 172.99 1xs6 s ASP 128 N 1.42 5.76 0.14 3.58 1.01 -1.26 -0.37 116.67 126.95 1xs6 s ASP 128 Ca -0.01 1.75 -0.33 0.00 0.71 0.00 0.00 52.55 54.67 1xs6 s ASP 128 Cb -0.19 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.09 1xs6 s ASP 128 CO 0.03 -1.18 1.68 -0.81 0.21 0.00 0.00 175.17 175.09 1xs6 n PRO 129 N -2.25 2.39 -0.40 8.23 -0.04 -1.18 -1.41 135.00 140.33 1xs6 n PRO 129 Ca 0.08 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1xs6 n PRO 129 Cb 0.53 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1xs6 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs6 n GLY 130 N 3.76 0.73 3.77 0.55 0.00 -0.64 -0.96 105.19 112.40 1xs6 n GLY 130 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1xs6 n GLY 130 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs6 s TRP 131 N -2.56 3.20 -0.25 1.61 -0.11 -0.50 -2.94 118.94 117.40 1xs6 s TRP 131 Ca 0.00 1.53 -0.02 0.00 1.22 0.00 0.00 56.10 58.83 1xs6 s TRP 131 Cb 0.00 -3.49 0.12 0.00 -1.50 0.00 0.00 33.47 28.60 1xs6 s TRP 131 CO 0.00 -1.34 0.30 0.45 -4.62 0.00 0.00 176.95 171.74 1xs6 s SER 132 N -0.77 1.09 0.00 5.86 0.15 -1.24 -0.65 113.70 118.15 1xs6 s SER 132 Ca 0.50 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1xs6 s SER 132 Cb -0.35 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1xs6 s SER 132 CO 0.46 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1xs6 n GLY 133 N 5.33 0.95 3.80 9.45 0.00 -0.47 -4.05 105.19 120.19 1xs6 n GLY 133 Ca -0.04 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1xs6 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 s ILE 135 N -2.05 5.37 -0.11 0.00 1.01 -1.26 -4.80 121.20 119.36 1xs6 s ILE 135 Ca 0.67 0.35 -0.23 0.00 0.00 0.00 0.00 60.65 61.44 1xs6 s ILE 135 Cb -0.17 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1xs6 s ILE 135 CO 0.24 0.44 0.70 -0.69 0.00 0.00 0.00 174.94 175.63 1xs6 s VAL 136 N 0.26 5.02 -0.13 2.92 1.01 -1.26 -0.87 120.40 127.34 1xs6 s VAL 136 Ca 0.12 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.44 1xs6 s VAL 136 Cb -0.12 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1xs6 s VAL 136 CO 0.01 0.19 0.13 -0.76 0.00 0.00 0.00 175.10 174.68 1xs6 s LEU 137 N 1.21 4.34 -0.47 3.92 1.43 0.53 -4.94 118.68 124.70 1xs6 s LEU 137 Ca 0.36 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.80 1xs6 s LEU 137 Cb -0.17 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.10 1xs6 s LEU 137 CO 0.16 0.36 0.33 0.00 0.23 0.00 0.00 176.35 177.43 1xs6 s ALA 138 N -0.76 3.36 0.06 4.21 0.00 -1.24 -0.68 121.76 126.70 1xs6 s ALA 138 Ca 0.14 -2.57 -0.19 0.00 0.00 0.00 0.00 51.96 49.33 1xs6 s ALA 138 Cb -0.12 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 1xs6 s ALA 138 CO 0.03 -1.90 0.57 -0.06 0.00 0.00 0.00 175.76 174.40 1xs6 s PHE 139 N 1.25 3.78 -0.02 0.00 2.99 0.21 -2.76 117.98 123.44 1xs6 s PHE 139 Ca 0.07 1.25 0.00 0.00 0.00 0.00 0.00 56.93 58.25 1xs6 s PHE 139 Cb -0.25 -2.51 0.02 0.00 0.00 0.00 0.00 43.02 40.28 1xs6 s PHE 139 CO -0.02 0.54 0.01 -0.47 -0.00 0.00 0.00 175.22 175.29 1xs6 s TYR 140 N -0.93 0.12 -0.39 0.36 5.04 -0.85 -1.47 117.35 119.22 1xs6 s TYR 140 Ca 0.29 0.07 -0.10 0.00 -2.44 0.00 0.00 57.07 54.89 1xs6 s TYR 140 Cb -0.19 -0.25 0.05 0.00 0.35 0.00 0.00 41.96 41.92 1xs6 s TYR 140 CO 0.18 -0.08 0.22 1.21 -1.34 0.00 0.00 175.55 175.74 1xs6 s ASN 141 N 0.85 5.65 0.00 4.32 2.47 -1.17 -0.87 114.94 126.18 1xs6 s ASN 141 Ca -0.08 -1.24 0.22 0.00 0.42 0.00 0.00 52.86 52.19 1xs6 s ASN 141 Cb -0.11 -1.99 0.53 0.00 -1.45 0.00 0.00 41.25 38.23 1xs6 s ASN 141 CO -0.02 -0.45 1.46 -1.54 -3.72 0.00 0.00 177.10 172.83 1xs6 n SER 142 N 4.94 3.38 -1.48 -4.21 3.41 0.23 -1.13 113.62 118.77 1xs6 n SER 142 Ca -0.11 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 1xs6 n SER 142 Cb 0.44 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1xs6 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs6 n GLY 143 N 1.51 1.05 0.00 5.00 0.00 -1.25 -4.88 105.19 106.61 1xs6 n GLY 143 Ca 0.21 -1.95 0.08 0.00 0.00 0.00 0.00 46.02 44.36 1xs6 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs6 n LYS 144 N -0.52 1.11 -4.56 1.61 4.76 -1.26 -4.69 118.16 114.60 1xs6 n LYS 144 Ca 0.00 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 1xs6 n LYS 144 Cb 0.00 -1.34 -0.14 0.00 -1.84 0.00 0.00 35.03 31.71 1xs6 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs6 s LEU 145 N -2.90 2.10 0.43 -0.35 1.02 -1.26 -4.94 118.68 112.78 1xs6 s LEU 145 Ca 0.06 -0.38 -0.25 0.00 0.02 0.00 0.00 54.13 53.58 1xs6 s LEU 145 Cb 0.13 -0.74 -0.09 0.00 0.02 0.00 0.00 46.19 45.51 1xs6 s LEU 145 CO 0.73 0.13 1.30 -2.65 0.02 0.00 0.00 176.35 175.87 1xs6 n PRO 146 N 2.29 1.96 -5.18 1.29 -0.02 -1.26 -4.56 135.00 129.52 1xs6 n PRO 146 Ca -0.16 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 1xs6 n PRO 146 Cb 0.55 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 1xs6 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs6 s LEU 147 N -1.91 2.20 -0.36 2.45 1.43 -0.61 -4.97 118.68 116.90 1xs6 s LEU 147 Ca 0.62 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 1xs6 s LEU 147 Cb -0.49 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1xs6 s LEU 147 CO 0.57 0.23 0.50 0.00 0.23 0.00 0.00 176.35 177.89 1xs6 s ALA 148 N -0.09 3.47 -0.20 4.21 0.00 -1.26 -0.98 121.76 126.90 1xs6 s ALA 148 Ca -0.05 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1xs6 s ALA 148 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1xs6 s ALA 148 CO 0.04 -1.27 0.10 -0.51 0.00 0.00 0.00 175.76 174.13 1xs6 s LEU 149 N 2.35 3.98 -0.02 0.00 1.43 0.08 -4.92 118.68 121.59 1xs6 s LEU 149 Ca 0.18 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1xs6 s LEU 149 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1xs6 s LEU 149 CO 0.13 0.15 -0.23 -0.13 0.23 0.00 0.00 176.35 176.50 1xs6 s ARG 150 N 0.56 2.18 0.29 1.70 0.52 -1.26 -0.91 118.95 122.02 1xs6 s ARG 150 Ca 0.06 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 1xs6 s ARG 150 Cb -0.12 -2.12 -0.13 0.00 0.52 0.00 0.00 34.95 33.09 1xs6 s ARG 150 CO 0.00 0.57 1.34 -2.30 0.02 0.00 0.00 175.30 174.93 1xs6 n PRO 151 N 2.30 2.06 -0.06 3.54 -0.02 -1.26 -2.62 135.00 138.94 1xs6 n PRO 151 Ca -0.16 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1xs6 n PRO 151 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1xs6 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs6 n GLY 152 N 1.46 0.98 3.76 -1.23 0.00 0.13 -4.95 105.19 105.35 1xs6 n GLY 152 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1xs6 n GLY 152 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xs6 s MET 153 N -0.65 3.37 -0.11 1.61 0.23 -1.08 -4.52 119.30 118.16 1xs6 s MET 153 Ca 0.00 1.84 -0.29 0.00 -1.03 0.00 0.00 55.69 56.21 1xs6 s MET 153 Cb 0.00 -2.18 -0.05 0.00 -1.53 0.00 0.00 34.83 31.07 1xs6 s MET 153 CO 0.00 -0.89 1.65 -0.51 -2.03 0.00 0.00 175.02 173.24 1xs6 s LEU 154 N -3.52 4.16 -0.00 0.18 1.43 -1.26 -0.62 118.68 119.05 1xs6 s LEU 154 Ca 0.70 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 55.85 1xs6 s LEU 154 Cb -0.30 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1xs6 s LEU 154 CO 0.35 -1.05 0.06 0.00 0.23 0.00 0.00 176.35 175.94 1xs6 n ILE 155 N 5.82 0.00 -3.66 -0.59 0.13 -0.04 -4.92 119.36 116.10 1xs6 n ILE 155 Ca 0.18 -0.28 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1xs6 n ILE 155 Cb 0.44 0.77 0.00 0.00 -0.84 0.00 0.00 39.64 40.01 1xs6 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs6 n GLY 156 N 1.62 0.61 3.28 4.50 0.00 -1.12 -4.47 105.19 109.60 1xs6 n GLY 156 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 1xs6 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 s ALA 157 N -1.00 -0.74 -0.06 4.61 0.00 -0.25 -1.37 121.76 122.95 1xs6 s ALA 157 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1xs6 s ALA 157 Cb 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 1xs6 s ALA 157 CO 0.00 -0.50 -0.19 -0.51 0.00 0.00 0.00 175.76 174.56 1xs6 s LEU 158 N -2.37 1.94 0.19 0.00 1.43 0.42 0.46 118.68 120.76 1xs6 s LEU 158 Ca -0.01 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1xs6 s LEU 158 Cb 0.01 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1xs6 s LEU 158 CO -0.07 0.16 -0.08 -0.94 0.23 0.00 0.00 176.35 175.65 1xs6 s SER 159 N 0.12 4.29 0.02 2.29 1.04 -0.84 -1.16 113.70 119.48 1xs6 s SER 159 Ca -0.07 -0.58 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1xs6 s SER 159 Cb -0.13 -0.74 -0.02 0.00 0.10 0.00 0.00 66.02 65.22 1xs6 s SER 159 CO 0.04 0.09 -0.19 -0.36 0.98 0.00 0.00 173.24 173.80 1xs6 s PHE 160 N -1.76 1.70 -0.10 5.02 0.40 -1.26 -1.36 117.98 120.61 1xs6 s PHE 160 Ca 0.26 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1xs6 s PHE 160 Cb -0.09 -1.04 0.03 0.00 0.51 0.00 0.00 43.02 42.44 1xs6 s PHE 160 CO 0.16 0.05 -0.00 -2.00 0.70 0.00 0.00 175.22 174.12 1xs6 s GLU 161 N -0.93 0.74 0.52 0.44 2.12 0.32 -1.15 118.70 120.77 1xs6 s GLU 161 Ca 0.07 -0.05 -0.22 0.00 0.36 0.00 0.00 54.97 55.12 1xs6 s GLU 161 Cb -0.08 -1.30 -0.05 0.00 0.26 0.00 0.00 34.13 32.96 1xs6 s GLU 161 CO 0.01 -0.37 1.31 -2.14 -0.54 0.00 0.00 175.26 173.53 1xs6 s PRO 162 N 1.91 3.29 0.52 4.30 0.02 -1.26 -0.91 135.00 142.88 1xs6 s PRO 162 Ca 0.04 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.16 1xs6 s PRO 162 Cb -0.13 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.09 1xs6 s PRO 162 CO -0.06 -1.04 0.78 -0.51 -0.33 0.00 0.00 177.00 175.84 1xs6 s LEU 163 N -3.40 3.44 0.53 -5.54 1.43 0.59 -4.85 118.68 110.89 1xs6 s LEU 163 Ca 0.70 0.49 0.18 0.00 -1.03 0.00 0.00 54.13 54.46 1xs6 s LEU 163 Cb -0.38 -3.34 1.36 0.00 0.03 0.00 0.00 46.19 43.86 1xs6 s LEU 163 CO 0.45 -0.88 2.16 0.77 0.23 0.00 0.00 176.35 179.08 1xs6 h SER 164 N 0.12 0.00 -5.06 2.29 4.64 -1.96 -3.45 113.55 110.13 1xs6 h SER 164 Ca -0.46 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.90 1xs6 h SER 164 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1xs6 h SER 164 CO 0.59 0.01 0.30 -0.83 -0.87 0.00 0.00 176.83 176.02 1xs6 s GLY 165 N -4.08 0.19 0.19 -0.77 0.00 -1.26 -5.13 107.32 96.46 1xs6 s GLY 165 Ca -0.05 -0.55 -0.32 0.00 0.00 0.00 0.00 44.72 43.81 1xs6 s GLY 165 CO 0.65 0.01 1.68 2.56 0.00 0.00 0.00 173.10 178.00 1xs6 s PRO 166 N -2.79 4.15 0.47 2.90 0.04 -1.26 -4.64 135.00 133.87 1xs6 s PRO 166 Ca 0.15 2.53 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 1xs6 s PRO 166 Cb -0.05 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.27 1xs6 s PRO 166 CO 0.09 -0.71 1.30 0.00 0.04 0.00 0.00 177.00 177.71 1xs6 n ALA 167 N 4.12 1.41 0.02 8.56 0.00 0.39 -4.92 120.51 130.09 1xs6 n ALA 167 Ca 0.15 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.74 1xs6 n ALA 167 Cb 0.36 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 1xs6 n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xs6 h VAL 168 N 1.88 1.21 -2.17 0.00 2.07 -1.93 -3.39 116.25 113.91 1xs6 h VAL 168 Ca -0.49 -2.96 -0.59 0.00 0.82 0.00 0.00 66.70 63.48 1xs6 h VAL 168 Cb 1.30 2.59 -0.41 0.00 -1.52 0.00 0.00 31.29 33.24 1xs6 h VAL 168 CO 0.59 0.69 -0.72 0.54 0.02 0.00 0.00 177.57 178.68 1xs6 n ARG 169 N -3.18 2.04 -1.24 1.57 1.74 -1.26 -5.06 116.66 111.27 1xs6 n ARG 169 Ca -0.08 -4.29 -0.29 0.00 -0.77 0.00 0.00 57.85 52.41 1xs6 n ARG 169 Cb 0.98 -1.99 0.15 0.00 -1.02 0.00 0.00 32.46 30.58 1xs6 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs6 s PRO 170 N -2.10 0.99 0.33 5.56 0.04 -1.26 -4.77 135.00 133.78 1xs6 s PRO 170 Ca 0.38 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1xs6 s PRO 170 Cb 0.15 -1.79 0.58 0.00 0.04 0.00 0.00 34.50 33.48 1xs6 s PRO 170 CO -0.04 -2.38 1.90 -0.92 0.04 0.00 0.00 177.00 175.60 1xs6 h TYR 171 N -1.65 0.67 0.00 0.56 3.20 -1.26 -1.74 116.97 116.75 1xs6 h TYR 171 Ca -0.51 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.31 1xs6 h TYR 171 Cb 1.30 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1xs6 h TYR 171 CO 0.37 0.56 0.00 -2.95 -1.64 0.00 0.00 178.16 174.49 1xs6 h ASN 172 N 0.65 0.00 0.00 -2.11 -1.07 -1.77 -3.18 115.58 108.10 1xs6 h ASN 172 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.52 1xs6 h ASN 172 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1xs6 h ASN 172 CO -0.01 0.00 -0.96 0.54 0.07 0.00 0.00 177.43 177.07 1xs6 n ARG 173 N -2.67 1.95 -2.17 4.14 5.12 -0.70 -4.97 116.66 117.35 1xs6 n ARG 173 Ca 0.01 -0.04 -0.43 0.00 -1.93 0.00 0.00 57.85 55.46 1xs6 n ARG 173 Cb 0.24 -1.17 -0.02 0.00 -1.16 0.00 0.00 32.46 30.35 1xs6 n ARG 173 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1xs6 s ARG 174 N -2.45 3.80 0.48 5.56 0.52 -0.94 -4.92 118.95 121.00 1xs6 s ARG 174 Ca 0.01 1.56 0.24 0.00 -0.52 0.00 0.00 55.73 57.02 1xs6 s ARG 174 Cb 0.09 -4.01 1.24 0.00 0.52 0.00 0.00 34.95 32.79 1xs6 s ARG 174 CO 0.52 -1.28 2.00 1.05 0.02 0.00 0.00 175.30 177.61 1xs6 h GLU 175 N 10.51 0.00 -0.61 3.54 4.11 -1.93 -1.80 114.58 128.40 1xs6 h GLU 175 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1xs6 h GLU 175 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1xs6 h GLU 175 CO 1.01 0.17 0.00 -0.40 0.07 0.00 0.00 179.01 179.86 1xs6 n ASP 176 N -3.70 4.39 -4.74 3.06 5.75 -1.26 -4.94 116.55 115.11 1xs6 n ASP 176 Ca -0.02 -2.35 -0.42 0.00 -0.01 0.00 0.00 54.79 51.99 1xs6 n ASP 176 Cb 0.29 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.83 1xs6 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs6 n ALA 177 N 1.07 2.72 0.08 2.12 0.00 -0.68 -4.94 120.51 120.87 1xs6 n ALA 177 Ca 0.24 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.88 1xs6 n ALA 177 Cb 0.80 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.61 1xs6 n ALA 177 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xs6 h LYS 178 N 5.58 0.30 -0.28 0.00 1.57 -1.92 -3.42 116.57 118.40 1xs6 h LYS 178 Ca -0.45 -0.51 -0.15 0.00 -1.87 0.00 0.00 60.65 57.67 1xs6 h LYS 178 Cb 1.21 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.62 1xs6 h LYS 178 CO 0.86 1.19 -0.19 0.66 -0.57 0.00 0.00 179.45 181.39 1xs6 n TYR 179 N -3.51 0.87 -2.13 -1.35 4.02 -1.26 -5.03 117.16 108.78 1xs6 n TYR 179 Ca -0.15 -1.61 -0.39 0.00 -0.01 0.00 0.00 57.90 55.73 1xs6 n TYR 179 Cb 1.05 -0.44 -0.01 0.00 -0.02 0.00 0.00 39.34 39.92 1xs6 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs6 s ARG 180 N -3.27 4.02 -0.66 -0.72 0.52 -1.26 -3.43 118.95 114.15 1xs6 s ARG 180 Ca 0.43 2.07 -0.10 0.00 -0.52 0.00 0.00 55.73 57.61 1xs6 s ARG 180 Cb 0.40 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 33.12 1xs6 s ARG 180 CO -0.02 -0.42 0.56 0.09 0.02 0.00 0.00 175.30 175.54 1xs6 n ASN 181 N 0.18 -4.52 -4.63 0.23 4.13 -1.26 -4.94 115.26 104.45 1xs6 n ASN 181 Ca 0.04 -0.70 -0.38 0.00 1.68 0.00 0.00 54.58 55.22 1xs6 n ASN 181 Cb 0.44 -1.45 -0.10 0.00 -1.54 0.00 0.00 39.78 37.14 1xs6 n ASN 181 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1xs6 s GLN 182 N -4.03 4.03 0.00 3.52 0.74 -1.22 -5.00 119.66 117.69 1xs6 s GLN 182 Ca 0.10 -0.19 0.10 0.00 0.05 0.00 0.00 55.36 55.41 1xs6 s GLN 182 Cb -0.01 -3.60 0.03 0.00 1.10 0.00 0.00 33.01 30.53 1xs6 s GLN 182 CO 0.81 -0.09 0.70 1.04 -0.55 0.00 0.00 175.29 177.20 1xs6 n GLN 183 N 4.76 1.33 0.00 1.67 1.13 -1.26 -3.84 117.38 121.16 1xs6 n GLN 183 Ca -0.13 -0.81 0.00 0.00 -1.94 0.00 0.00 57.00 54.12 1xs6 n GLN 183 Cb 0.52 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.75 1xs6 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xs6 n GLY 184 N 0.72 3.08 3.24 1.08 0.00 -1.26 -5.03 105.19 107.03 1xs6 n GLY 184 Ca 0.05 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1xs6 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 n ALA 185 N -3.00 4.43 -2.36 4.61 0.00 -1.26 -4.80 120.51 118.14 1xs6 n ALA 185 Ca 0.00 -4.20 -0.42 0.00 0.00 0.00 0.00 53.44 48.82 1xs6 n ALA 185 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.29 1xs6 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs6 s VAL 186 N 1.60 3.94 0.95 0.00 1.01 -1.26 -4.71 120.40 121.94 1xs6 s VAL 186 Ca 0.43 1.35 -0.12 0.00 0.00 0.00 0.00 61.98 63.65 1xs6 s VAL 186 Cb 0.03 -3.87 0.16 0.00 0.00 0.00 0.00 36.38 32.71 1xs6 s VAL 186 CO 0.01 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.24 1xs6 s ALA 187 N 1.76 1.15 0.12 5.51 0.00 -1.26 -4.95 121.76 124.10 1xs6 s ALA 187 Ca 0.60 -0.06 -0.35 0.00 0.00 0.00 0.00 51.96 52.15 1xs6 s ALA 187 Cb -0.29 -3.21 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1xs6 s ALA 187 CO 0.26 -2.68 1.30 0.45 0.00 0.00 0.00 175.76 175.09 1xs6 n SER 188 N -4.11 1.68 -2.02 0.00 2.88 -1.26 -4.90 113.62 105.89 1xs6 n SER 188 Ca 0.07 1.12 -0.25 0.00 -1.33 0.00 0.00 58.87 58.48 1xs6 n SER 188 Cb 0.55 -1.22 0.08 0.00 -0.75 0.00 0.00 64.21 62.87 1xs6 n SER 188 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xs6 n ARG 189 N 2.32 2.91 0.29 -1.46 1.74 -1.26 -4.78 116.66 116.42 1xs6 n ARG 189 Ca 0.17 -3.62 0.14 0.00 -0.77 0.00 0.00 57.85 53.77 1xs6 n ARG 189 Cb 0.22 -2.21 0.86 0.00 -1.02 0.00 0.00 32.46 30.31 1xs6 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs6 h ILE 190 N 1.48 0.61 0.00 0.55 6.09 -1.96 -1.24 117.51 123.04 1xs6 h ILE 190 Ca 0.45 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.91 1xs6 h ILE 190 Cb 1.33 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1xs6 h ILE 190 CO 1.05 0.01 0.00 -0.90 -3.07 0.00 0.00 178.15 175.23 1xs6 n ASP 191 N -3.96 0.58 -0.33 2.19 5.75 -1.26 -2.25 116.55 117.28 1xs6 n ASP 191 Ca -0.03 0.73 0.13 0.00 -0.01 0.00 0.00 54.79 55.62 1xs6 n ASP 191 Cb 0.09 -0.82 0.45 0.00 -1.03 0.00 0.00 41.12 39.81 1xs6 n ASP 191 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xs6 n LYS 192 N -2.24 1.14 0.00 0.11 5.02 -0.47 -4.75 118.16 116.97 1xs6 n LYS 192 Ca -0.00 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 1xs6 n LYS 192 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1xs6 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63