#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfl s PRO 6 N 0.00 3.63 -0.01 -1.08 0.02 -1.22 -4.39 135.00 131.95 2rfl s PRO 6 Ca 0.00 1.54 0.22 0.00 0.02 0.00 0.00 61.00 62.78 2rfl s PRO 6 Cb 0.00 -2.13 -0.28 0.00 0.02 0.00 0.00 34.50 32.11 2rfl s PRO 6 CO 0.00 -0.61 0.61 0.25 -0.33 0.00 0.00 177.00 176.93 2rfl n THR 7 N -0.97 0.05 -4.03 0.99 -2.24 -0.55 -4.81 114.28 102.71 2rfl n THR 7 Ca 0.10 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 2rfl n THR 7 Cb 0.51 0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.72 2rfl n THR 7 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rfl s ARG 8 N -3.41 2.28 -0.13 -0.78 6.06 -1.10 0.94 118.95 122.81 2rfl s ARG 8 Ca -0.04 -0.89 -0.07 0.00 -2.50 0.00 0.00 55.73 52.23 2rfl s ARG 8 Cb 0.14 -2.49 -0.04 0.00 0.06 0.00 0.00 34.95 32.62 2rfl s ARG 8 CO 0.89 -0.39 0.12 0.08 -2.50 0.00 0.00 175.30 173.50 2rfl s VAL 9 N 1.34 5.33 -0.12 7.11 1.01 -0.30 -2.13 120.40 132.64 2rfl s VAL 9 Ca -0.01 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2rfl s VAL 9 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2rfl s VAL 9 CO -0.09 0.58 -0.22 -0.31 0.00 0.00 0.00 175.10 175.06 2rfl s TYR 10 N -0.72 2.55 -0.24 5.22 1.51 0.14 -1.51 117.35 124.30 2rfl s TYR 10 Ca 0.13 -1.18 -0.06 0.00 -1.01 0.00 0.00 57.07 54.96 2rfl s TYR 10 Cb -0.12 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 2rfl s TYR 10 CO 0.03 -0.51 0.03 -0.51 -1.11 0.00 0.00 175.55 173.47 2rfl s LEU 11 N 0.62 3.29 -0.25 -1.29 1.43 -0.67 0.11 118.68 121.92 2rfl s LEU 11 Ca -0.12 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2rfl s LEU 11 Cb -0.17 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.26 2rfl s LEU 11 CO 0.03 -0.05 -0.11 -0.22 0.23 0.00 0.00 176.35 176.24 2rfl s LEU 12 N 1.55 3.24 0.20 1.79 2.96 0.29 -1.22 118.68 127.50 2rfl s LEU 12 Ca 0.06 -1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 52.34 2rfl s LEU 12 Cb -0.15 -1.48 -0.08 0.00 0.50 0.00 0.00 46.19 44.97 2rfl s LEU 12 CO 0.01 -0.19 1.23 -0.60 -1.32 0.00 0.00 176.35 175.49 2rfl s ARG 13 N 1.16 4.46 0.53 1.98 3.52 -1.17 -0.31 118.95 129.12 2rfl s ARG 13 Ca -0.08 1.94 -0.19 0.00 -0.13 0.00 0.00 55.73 57.28 2rfl s ARG 13 Cb -0.19 -3.22 -0.11 0.00 -1.56 0.00 0.00 34.95 29.87 2rfl s ARG 13 CO -0.06 -0.14 0.35 -2.39 -0.81 0.00 0.00 175.30 172.26 2rfl n HIS 14 N 2.46 -1.27 -1.46 5.12 1.44 -0.87 -1.39 115.22 119.26 2rfl n HIS 14 Ca 0.05 0.47 -0.30 0.00 -2.01 0.00 0.00 57.72 55.93 2rfl n HIS 14 Cb 0.44 -1.89 0.21 0.00 0.12 0.00 0.00 29.99 28.88 2rfl n HIS 14 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2rfl s ALA 15 N -1.76 1.35 -0.26 1.59 0.00 -1.26 -1.40 121.76 120.02 2rfl s ALA 15 Ca 0.65 -1.03 -0.37 0.00 0.00 0.00 0.00 51.96 51.21 2rfl s ALA 15 Cb -0.48 -2.85 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 2rfl s ALA 15 CO 0.58 -3.03 1.95 1.17 0.00 0.00 0.00 175.76 176.42 2rfl n LYS 16 N -4.29 1.38 -3.38 0.00 3.00 -1.26 -4.72 118.16 108.88 2rfl n LYS 16 Ca 0.14 0.47 -0.32 0.00 -0.00 0.00 0.00 58.31 58.60 2rfl n LYS 16 Cb 0.59 -2.37 -0.05 0.00 0.00 0.00 0.00 35.03 33.20 2rfl n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rfl s ALA 17 N 5.08 3.54 0.98 3.14 0.00 -1.26 -1.26 121.76 131.97 2rfl s ALA 17 Ca 1.01 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 2rfl s ALA 17 Cb -0.90 -2.47 0.18 0.00 0.00 0.00 0.00 23.12 19.93 2rfl s ALA 17 CO 0.56 0.49 1.10 0.00 0.00 0.00 0.00 175.76 177.91 2rfl s ALA 18 N -1.84 0.94 0.62 0.00 0.00 0.35 -4.43 121.76 117.41 2rfl s ALA 18 Ca 0.48 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 2rfl s ALA 18 Cb -0.11 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2rfl s ALA 18 CO 0.21 -3.00 1.08 -1.58 0.00 0.00 0.00 175.76 172.46 2rfl s TRP 19 N -2.63 2.87 0.22 0.00 0.51 -1.26 -4.88 118.94 113.76 2rfl s TRP 19 Ca 0.67 1.52 -0.32 0.00 -2.12 0.00 0.00 56.10 55.85 2rfl s TRP 19 Cb -0.23 -3.06 -0.13 0.00 -0.81 0.00 0.00 33.47 29.24 2rfl s TRP 19 CO 0.60 -1.32 1.50 0.00 -0.51 0.00 0.00 176.95 177.21 2rfl n ALA 20 N -2.24 1.45 -2.86 0.98 0.00 -1.26 -5.03 120.51 111.55 2rfl n ALA 20 Ca 0.09 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.63 2rfl n ALA 20 Cb 0.53 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 17.48 2rfl n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl s ALA 21 N 0.30 2.26 0.13 0.00 0.00 -1.26 -5.11 121.76 118.08 2rfl s ALA 21 Ca 0.71 -1.01 -0.35 0.00 0.00 0.00 0.00 51.96 51.32 2rfl s ALA 21 Cb -0.63 -0.79 -0.15 0.00 0.00 0.00 0.00 23.12 21.55 2rfl s ALA 21 CO 0.45 0.38 1.52 -2.30 0.00 0.00 0.00 175.76 175.81 2rfl n PRO 22 N 3.09 1.86 0.00 0.00 -0.02 -1.26 -2.40 135.00 136.28 2rfl n PRO 22 Ca -0.18 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2rfl n PRO 22 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2rfl n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rfl n GLY 23 N 3.18 2.71 3.76 -1.23 0.00 -1.26 -5.01 105.19 107.34 2rfl n GLY 23 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2rfl n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rfl s GLU 24 N -0.04 4.75 0.24 1.61 2.12 -1.01 -5.05 118.70 121.32 2rfl s GLU 24 Ca 0.00 1.42 -0.30 0.00 0.36 0.00 0.00 54.97 56.45 2rfl s GLU 24 Cb 0.00 -3.12 -0.09 0.00 0.26 0.00 0.00 34.13 31.18 2rfl s GLU 24 CO 0.00 0.44 0.99 1.03 -0.54 0.00 0.00 175.26 177.19 2rfl s ARG 25 N -1.46 4.78 0.40 4.30 0.52 -1.26 -4.74 118.95 121.48 2rfl s ARG 25 Ca 0.44 1.59 0.18 0.00 -0.52 0.00 0.00 55.73 57.41 2rfl s ARG 25 Cb -0.23 -3.26 1.08 0.00 0.52 0.00 0.00 34.95 33.06 2rfl s ARG 25 CO 0.29 0.40 1.79 0.22 0.02 0.00 0.00 175.30 178.02 2rfl h ASP 26 N 4.16 0.45 -0.15 0.23 3.58 -1.97 0.47 116.42 123.20 2rfl h ASP 26 Ca -0.45 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.11 2rfl h ASP 26 Cb 1.20 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2rfl h ASP 26 CO 0.68 0.12 0.12 0.15 -2.88 0.00 0.00 179.24 177.43 2rfl h PHE 27 N 0.41 0.00 -0.01 0.28 3.57 -1.99 -1.97 116.94 117.24 2rfl h PHE 27 Ca 0.56 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.06 2rfl h PHE 27 Cb 1.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2rfl h PHE 27 CO -0.00 0.00 -0.14 -0.25 -2.23 0.00 0.00 178.31 175.69 2rfl n ASP 28 N -4.19 0.65 -4.68 0.41 8.00 0.15 -0.37 116.55 116.52 2rfl n ASP 28 Ca 0.01 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.37 2rfl n ASP 28 Cb 0.25 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 2rfl n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2rfl s ARG 29 N -2.44 4.23 0.00 -1.24 0.52 -0.74 -4.70 118.95 114.57 2rfl s ARG 29 Ca 0.29 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 2rfl s ARG 29 Cb 0.20 -3.73 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2rfl s ARG 29 CO 0.48 -0.71 0.00 0.41 0.02 0.00 0.00 175.30 175.50 2rfl n GLY 30 N 3.86 2.97 3.77 -3.53 0.00 -1.26 -1.47 105.19 109.53 2rfl n GLY 30 Ca 0.15 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 2rfl n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rfl s LEU 31 N 0.00 4.14 0.00 0.99 1.43 -1.26 0.13 118.68 124.11 2rfl s LEU 31 Ca 0.00 2.50 -0.14 0.00 -1.03 0.00 0.00 54.13 55.46 2rfl s LEU 31 Cb 0.00 -4.03 0.19 0.00 0.03 0.00 0.00 46.19 42.37 2rfl s LEU 31 CO 0.00 -0.87 1.09 -0.46 0.23 0.00 0.00 176.35 176.34 2rfl n ASN 32 N -0.10 0.02 -0.01 2.29 2.04 -0.39 -4.36 115.26 114.74 2rfl n ASN 32 Ca 0.05 -1.38 -0.03 0.00 -0.44 0.00 0.00 54.58 52.78 2rfl n ASN 32 Cb 0.45 -0.84 0.21 0.00 -2.53 0.00 0.00 39.78 37.08 2rfl n ASN 32 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2rfl h GLU 33 N 0.00 0.53 -0.04 -3.83 4.39 -1.98 -1.14 114.58 112.52 2rfl h GLU 33 Ca -0.35 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.21 2rfl h GLU 33 Cb 0.98 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 2rfl h GLU 33 CO 0.25 0.68 -0.25 0.00 -1.16 0.00 0.00 179.01 178.53 2rfl h ALA 34 N 1.34 -0.31 -0.82 3.43 0.00 -1.94 -2.96 119.26 118.00 2rfl h ALA 34 Ca 0.08 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2rfl h ALA 34 Cb 0.57 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 2rfl h ALA 34 CO 0.04 -0.74 -0.50 0.78 0.00 0.00 0.00 179.25 178.82 2rfl h GLY 35 N -0.37 -0.57 0.88 0.00 0.00 -1.52 -1.64 103.07 99.85 2rfl h GLY 35 Ca 0.07 0.67 0.01 0.00 0.00 0.00 0.00 47.33 48.09 2rfl h GLY 35 CO -0.25 -0.08 -0.02 0.74 0.00 0.00 0.00 176.54 176.93 2rfl h PHE 36 N -0.11 -0.04 -0.41 5.60 0.04 -1.24 -1.71 116.94 119.08 2rfl h PHE 36 Ca 0.19 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.04 2rfl h PHE 36 Cb 0.51 0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.60 2rfl h PHE 36 CO -0.88 -0.03 -0.40 0.00 -0.60 0.00 0.00 178.31 176.40 2rfl h ALA 37 N 1.05 -0.36 0.00 2.45 0.00 -1.47 -1.03 119.26 119.90 2rfl h ALA 37 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2rfl h ALA 37 Cb 0.05 0.85 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2rfl h ALA 37 CO -0.06 -0.83 0.00 1.05 0.00 0.00 0.00 179.25 179.41 2rfl h GLU 38 N -0.31 0.00 -0.00 0.00 4.11 -1.17 -0.07 114.58 117.14 2rfl h GLU 38 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 2rfl h GLU 38 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2rfl h GLU 38 CO -0.57 0.00 -0.00 0.00 0.07 0.00 0.00 179.01 178.51 2rfl h ALA 39 N 2.10 0.00 -0.59 1.06 0.00 -0.60 -3.12 119.26 118.11 2rfl h ALA 39 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2rfl h ALA 39 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2rfl h ALA 39 CO 0.00 -0.12 0.28 1.49 0.00 0.00 0.00 179.25 180.90 2rfl h GLU 40 N -0.76 0.50 -0.68 0.00 4.81 -0.88 -1.69 114.58 115.88 2rfl h GLU 40 Ca -0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2rfl h GLU 40 Cb 0.76 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2rfl h GLU 40 CO 0.00 0.33 0.43 0.82 -0.73 0.00 0.00 179.01 179.86 2rfl h ILE 41 N 0.51 1.11 0.05 2.32 5.03 -1.10 -2.49 117.51 122.93 2rfl h ILE 41 Ca 0.28 -0.29 -0.23 0.00 -0.12 0.00 0.00 64.86 64.50 2rfl h ILE 41 Cb 0.25 0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 34.21 2rfl h ILE 41 CO -0.22 0.15 -1.08 0.40 -0.68 0.00 0.00 178.15 176.72 2rfl h ILE 42 N 0.85 1.63 -0.20 -0.67 1.08 -1.41 -2.29 117.51 116.50 2rfl h ILE 42 Ca 0.27 -3.27 -0.08 0.00 -0.39 0.00 0.00 64.86 61.38 2rfl h ILE 42 Cb -0.01 2.87 -0.00 0.00 -3.07 0.00 0.00 36.82 36.61 2rfl h ILE 42 CO -0.09 0.94 -0.20 0.00 -0.69 0.00 0.00 178.15 178.11 2rfl h ALA 43 N 0.85 0.29 -0.13 1.87 0.00 -1.30 -2.43 119.26 118.42 2rfl h ALA 43 Ca -0.06 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2rfl h ALA 43 Cb 1.83 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 2rfl h ALA 43 CO 0.16 0.23 -0.12 -0.44 0.00 0.00 0.00 179.25 179.07 2rfl h ASP 44 N 0.16 -0.39 -0.94 0.00 3.32 -1.50 0.15 116.42 117.22 2rfl h ASP 44 Ca 0.03 0.08 0.20 0.00 0.02 0.00 0.00 57.03 57.36 2rfl h ASP 44 Cb 0.75 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 40.41 2rfl h ASP 44 CO 0.05 -0.16 0.61 0.25 -1.72 0.00 0.00 179.24 178.26 2rfl h LEU 45 N -0.15 0.53 0.20 1.55 5.85 -1.42 -0.23 115.31 121.65 2rfl h LEU 45 Ca 0.09 0.06 -0.33 0.00 0.84 0.00 0.00 57.88 58.54 2rfl h LEU 45 Cb 0.28 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.29 2rfl h LEU 45 CO -0.22 0.20 -1.52 0.00 -0.34 0.00 0.00 178.44 176.56 2rfl h ALA 46 N 1.62 0.01 -0.37 1.25 0.00 -0.89 -2.35 119.26 118.54 2rfl h ALA 46 Ca 0.51 -0.97 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2rfl h ALA 46 Cb 1.09 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 2rfl h ALA 46 CO -0.24 0.88 -0.13 0.00 0.00 0.00 0.00 179.25 179.75 2rfl h ALA 47 N 0.26 0.18 -0.75 0.00 0.00 -0.89 0.51 119.26 118.57 2rfl h ALA 47 Ca -0.26 0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2rfl h ALA 47 Cb 2.11 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 20.11 2rfl h ALA 47 CO 0.23 -0.50 -0.09 -0.44 0.00 0.00 0.00 179.25 178.45 2rfl h ASP 48 N -0.06 -0.52 -0.28 0.00 5.19 -0.79 -0.04 116.42 119.92 2rfl h ASP 48 Ca 0.18 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 2rfl h ASP 48 Cb 0.33 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2rfl h ASP 48 CO -0.41 -0.22 0.00 0.54 -3.12 0.00 0.00 179.24 176.03 2rfl n ARG 49 N -5.42 1.90 -3.67 3.56 1.74 -0.91 -4.92 116.66 108.95 2rfl n ARG 49 Ca 0.12 -1.11 -0.24 0.00 -0.77 0.00 0.00 57.85 55.84 2rfl n ARG 49 Cb 0.44 -1.37 0.06 0.00 -1.02 0.00 0.00 32.46 30.57 2rfl n ARG 49 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2rfl n ARG 50 N 0.34 -6.95 -2.97 5.56 5.12 -0.03 -4.93 116.66 112.81 2rfl n ARG 50 Ca 0.10 0.76 -0.44 0.00 -1.93 0.00 0.00 57.85 56.34 2rfl n ARG 50 Cb 0.34 -5.73 0.00 0.00 -1.16 0.00 0.00 32.46 25.91 2rfl n ARG 50 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2rfl n TYR 51 N -4.76 4.41 -4.28 -1.55 4.01 0.17 -4.95 117.16 110.21 2rfl n TYR 51 Ca -0.05 -3.33 -0.34 0.00 -0.16 0.00 0.00 57.90 54.02 2rfl n TYR 51 Cb 0.57 -1.90 -0.14 0.00 -0.31 0.00 0.00 39.34 37.56 2rfl n TYR 51 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rfl s ARG 52 N 0.02 3.37 0.48 -0.72 3.52 -1.26 -4.54 118.95 119.83 2rfl s ARG 52 Ca 0.38 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2rfl s ARG 52 Cb -0.02 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.54 2rfl s ARG 52 CO -0.01 -0.01 0.74 -1.25 -0.81 0.00 0.00 175.30 173.96 2rfl s PRO 53 N 0.96 3.15 -0.03 5.12 0.04 -1.26 -4.96 135.00 138.02 2rfl s PRO 53 Ca -0.01 -0.22 -0.21 0.00 0.04 0.00 0.00 61.00 60.60 2rfl s PRO 53 Cb -0.15 -2.46 -0.29 0.00 0.04 0.00 0.00 34.50 31.65 2rfl s PRO 53 CO -0.00 -0.34 0.97 -0.44 0.04 0.00 0.00 177.00 177.23 2rfl h ASP 54 N 0.24 0.49 -3.31 6.66 3.32 -1.71 -3.45 116.42 118.65 2rfl h ASP 54 Ca -0.46 -0.88 -0.53 0.00 0.02 0.00 0.00 57.03 55.17 2rfl h ASP 54 Cb 1.24 -0.16 -0.35 0.00 0.22 0.00 0.00 39.33 40.29 2rfl h ASP 54 CO 0.59 1.33 -0.81 -0.22 -1.72 0.00 0.00 179.24 178.41 2rfl s LEU 55 N -8.05 1.51 -0.24 1.55 2.96 -1.00 -1.90 118.68 113.50 2rfl s LEU 55 Ca -0.13 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 2rfl s LEU 55 Cb 0.02 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 2rfl s LEU 55 CO 0.83 -0.02 0.14 -0.63 -1.32 0.00 0.00 176.35 175.35 2rfl s ILE 56 N 1.07 5.13 -0.21 6.68 1.01 0.29 -4.37 121.20 130.80 2rfl s ILE 56 Ca -0.07 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 2rfl s ILE 56 Cb -0.15 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2rfl s ILE 56 CO -0.01 0.33 0.02 -0.76 0.00 0.00 0.00 174.94 174.52 2rfl s LEU 57 N 1.24 3.33 -0.03 2.97 1.43 -1.26 -1.45 118.68 124.91 2rfl s LEU 57 Ca 0.07 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2rfl s LEU 57 Cb -0.14 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2rfl s LEU 57 CO 0.06 0.05 -0.09 -0.55 0.23 0.00 0.00 176.35 176.04 2rfl s SER 58 N 1.10 1.30 0.88 2.29 0.15 -0.21 -1.26 113.70 117.94 2rfl s SER 58 Ca 0.03 -0.20 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 2rfl s SER 58 Cb -0.14 -0.41 0.09 0.00 -1.71 0.00 0.00 66.02 63.85 2rfl s SER 58 CO 0.02 0.05 0.99 -0.24 1.20 0.00 0.00 173.24 175.26 2rfl n SER 59 N 3.43 0.02 0.01 5.45 2.88 -0.89 0.31 113.62 124.84 2rfl n SER 59 Ca -0.20 0.47 0.11 0.00 -1.33 0.00 0.00 58.87 57.92 2rfl n SER 59 Cb 0.53 -1.42 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 2rfl n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2rfl n THR 60 N -3.70 0.08 -1.62 2.46 -2.24 -1.26 -4.12 114.28 103.88 2rfl n THR 60 Ca 0.11 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2rfl n THR 60 Cb 0.52 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 2rfl n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rfl n ALA 61 N -1.80 0.32 -0.34 6.98 0.00 -1.26 -4.74 120.51 119.66 2rfl n ALA 61 Ca 0.01 0.20 0.21 0.00 0.00 0.00 0.00 53.44 53.87 2rfl n ALA 61 Cb 0.43 -2.11 0.44 0.00 0.00 0.00 0.00 19.45 18.21 2rfl n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl h ALA 62 N 1.47 1.93 0.14 0.00 0.00 -0.77 -2.38 119.26 119.65 2rfl h ALA 62 Ca -0.45 0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.30 2rfl h ALA 62 Cb 1.34 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.22 2rfl h ALA 62 CO 0.56 -0.46 -1.26 0.07 0.00 0.00 0.00 179.25 178.17 2rfl h ARG 63 N 0.45 0.52 -0.51 0.00 0.11 -1.53 -2.04 114.38 111.39 2rfl h ARG 63 Ca 0.68 -0.74 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 2rfl h ARG 63 Cb 1.47 0.25 -0.02 0.00 1.11 0.00 0.00 29.97 32.78 2rfl h ARG 63 CO -0.50 1.33 -0.07 0.00 0.10 0.00 0.00 179.97 180.83 2rfl h ARG 65 N 0.82 -0.40 -0.53 0.00 3.08 -1.27 0.11 114.38 116.19 2rfl h ARG 65 Ca 0.14 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.32 2rfl h ARG 65 Cb 0.58 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.62 2rfl h ARG 65 CO 0.04 -0.26 -0.15 1.96 -1.07 0.00 0.00 179.97 180.48 2rfl h GLN 66 N -0.44 -0.03 0.25 0.04 4.20 -1.43 0.16 115.11 117.86 2rfl h GLN 66 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2rfl h GLN 66 Cb 0.33 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2rfl h GLN 66 CO 0.07 -0.02 -0.12 1.15 -0.67 0.00 0.00 178.83 179.24 2rfl h THR 67 N -0.03 0.79 -0.30 -0.54 2.02 -0.93 -1.88 112.91 112.04 2rfl h THR 67 Ca 0.25 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.32 2rfl h THR 67 Cb 0.41 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2rfl h THR 67 CO -0.56 0.04 0.29 0.74 0.37 0.00 0.00 175.52 176.40 2rfl h THR 68 N -0.44 0.54 -0.31 3.16 2.02 -0.72 -1.60 112.91 115.56 2rfl h THR 68 Ca -0.03 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 2rfl h THR 68 Cb 0.33 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2rfl h THR 68 CO 0.06 0.00 -0.46 1.56 0.37 0.00 0.00 175.52 177.04 2rfl h GLN 69 N 0.00 0.82 -0.63 6.66 7.50 -0.18 -2.60 115.11 126.68 2rfl h GLN 69 Ca 0.14 -0.47 0.13 0.00 0.50 0.00 0.00 58.65 58.95 2rfl h GLN 69 Cb 0.71 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 28.16 2rfl h GLN 69 CO -0.00 1.10 -0.09 0.00 -1.50 0.00 0.00 178.83 178.34 2rfl h ALA 70 N 0.82 0.51 -0.38 3.87 0.00 -0.67 -2.51 119.26 120.89 2rfl h ALA 70 Ca 0.04 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2rfl h ALA 70 Cb 1.04 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2rfl h ALA 70 CO 0.10 -0.42 -0.24 -1.49 0.00 0.00 0.00 179.25 177.21 2rfl h TRP 71 N 0.05 0.98 -0.94 0.00 4.06 -1.46 -2.56 115.95 116.07 2rfl h TRP 71 Ca 0.31 -0.26 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 2rfl h TRP 71 Cb 0.50 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.40 2rfl h TRP 71 CO -0.45 1.03 0.56 0.37 -3.56 0.00 0.00 178.44 176.40 2rfl h GLN 72 N 0.64 1.28 -0.69 0.49 4.15 -1.37 -1.69 115.11 117.92 2rfl h GLN 72 Ca 0.08 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 2rfl h GLN 72 Cb 0.81 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2rfl h GLN 72 CO 0.07 0.90 0.23 0.00 -1.93 0.00 0.00 178.83 178.09 2rfl h ARG 73 N 1.30 1.06 0.00 1.69 3.08 -1.37 -3.13 114.38 117.02 2rfl h ARG 73 Ca 0.34 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2rfl h ARG 73 Cb -0.05 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.84 2rfl h ARG 73 CO -0.06 0.91 0.00 0.00 -1.07 0.00 0.00 179.97 179.75 2rfl n ALA 74 N -2.42 1.03 -2.00 0.04 0.00 -0.64 -5.13 120.51 111.39 2rfl n ALA 74 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2rfl n ALA 74 Cb 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2rfl n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rfl n PHE 75 N -1.90 0.00 0.00 0.00 3.01 -1.17 -4.89 117.46 112.51 2rfl n PHE 75 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2rfl n PHE 75 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2rfl n PHE 75 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 2rfl n ILE 79 N 0.00 0.00 -1.72 4.37 -5.35 -1.26 -5.02 119.36 110.37 2rfl n ILE 79 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2rfl n ILE 79 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2rfl n ILE 79 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2rfl s ASP 80 N 0.00 6.32 -0.21 7.28 3.68 -0.80 -4.90 116.67 128.05 2rfl s ASP 80 Ca 0.00 2.45 -0.02 0.00 2.13 0.00 0.00 52.55 57.12 2rfl s ASP 80 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 2rfl s ASP 80 CO 0.00 -1.19 -0.11 -0.63 0.13 0.00 0.00 175.17 173.38 2rfl s ILE 81 N 5.03 2.82 -0.11 4.11 1.01 -1.26 -0.55 121.20 132.25 2rfl s ILE 81 Ca 0.88 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2rfl s ILE 81 Cb -0.39 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 39.83 2rfl s ILE 81 CO 0.39 0.46 -0.14 -0.69 0.00 0.00 0.00 174.94 174.95 2rfl s VAL 82 N 1.40 1.42 -0.29 2.92 1.01 -0.53 -5.01 120.40 121.31 2rfl s VAL 82 Ca 0.05 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 2rfl s VAL 82 Cb -0.14 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2rfl s VAL 82 CO -0.07 0.43 0.32 -0.31 0.00 0.00 0.00 175.10 175.46 2rfl s TYR 83 N 1.04 3.23 -0.27 5.22 2.02 -1.26 -1.04 117.35 126.29 2rfl s TYR 83 Ca -0.06 0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.79 2rfl s TYR 83 Cb -0.15 -2.54 -0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2rfl s TYR 83 CO -0.02 -0.27 0.04 0.42 -1.57 0.00 0.00 175.55 174.15 2rfl s ILE 84 N 1.96 3.82 0.49 2.71 -1.09 0.15 -4.91 121.20 124.32 2rfl s ILE 84 Ca 0.12 -0.57 0.15 0.00 -2.23 0.00 0.00 60.65 58.12 2rfl s ILE 84 Cb -0.16 -2.88 0.30 0.00 -1.58 0.00 0.00 42.46 38.13 2rfl s ILE 84 CO 0.11 0.22 2.08 -0.78 -1.23 0.00 0.00 174.94 175.34 2rfl h ASP 85 N 8.19 0.16 0.00 3.58 1.82 -1.93 -3.35 116.42 124.89 2rfl h ASP 85 Ca -0.35 -0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.02 2rfl h ASP 85 Cb 1.14 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.10 2rfl h ASP 85 CO 0.60 0.11 1.15 1.21 -1.61 0.00 0.00 179.24 180.69 2rfl n GLU 86 N -4.49 1.88 -0.41 0.28 4.07 -1.26 -4.75 120.64 115.96 2rfl n GLU 86 Ca 0.02 -1.10 0.00 0.00 -0.06 0.00 0.00 57.16 56.02 2rfl n GLU 86 Cb 0.19 -2.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2rfl n TYR 88 N 3.20 0.00 -2.68 4.31 9.36 -1.26 -4.16 117.16 125.93 2rfl n TYR 88 Ca 0.40 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.56 2rfl n TYR 88 Cb 0.45 -0.19 0.03 0.00 -0.63 0.00 0.00 39.34 38.99 2rfl n TYR 88 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2rfl n ASN 89 N 1.42 -5.60 -4.43 2.98 3.02 -1.26 -5.08 115.26 106.31 2rfl n ASN 89 Ca 0.00 -0.33 -0.26 0.00 -0.03 0.00 0.00 54.58 53.96 2rfl n ASN 89 Cb 0.00 -3.92 -0.11 0.00 -0.61 0.00 0.00 39.78 35.14 2rfl n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rfl s ALA 90 N -3.17 2.55 0.66 5.41 0.00 -1.26 -5.14 121.76 120.81 2rfl s ALA 90 Ca 0.20 -1.68 -0.14 0.00 0.00 0.00 0.00 51.96 50.34 2rfl s ALA 90 Cb -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2rfl s ALA 90 CO 0.52 0.39 1.08 1.03 0.00 0.00 0.00 175.76 178.78 2rfl s ARG 91 N -2.84 2.92 0.32 0.00 0.52 -1.26 -4.54 118.95 114.07 2rfl s ARG 91 Ca 0.22 1.20 0.07 0.00 -0.52 0.00 0.00 55.73 56.70 2rfl s ARG 91 Cb -0.07 -1.98 0.88 0.00 0.52 0.00 0.00 34.95 34.30 2rfl s ARG 91 CO 0.11 -1.13 1.61 1.03 0.02 0.00 0.00 175.30 176.94 2rfl h SER 92 N -0.18 -0.05 -0.99 0.23 0.87 -1.94 -2.10 113.55 109.41 2rfl h SER 92 Ca -0.46 0.24 0.16 0.00 -1.23 0.00 0.00 61.79 60.50 2rfl h SER 92 Cb 1.23 0.33 -0.16 0.00 -0.44 0.00 0.00 62.40 63.35 2rfl h SER 92 CO 0.55 -0.27 -0.37 -0.62 -0.53 0.00 0.00 176.83 175.59 2rfl n GLU 93 N -5.30 -0.22 -0.01 2.24 1.02 -1.26 -1.56 120.64 115.56 2rfl n GLU 93 Ca 0.26 1.52 -0.04 0.00 -0.02 0.00 0.00 57.16 58.89 2rfl n GLU 93 Cb 0.85 -2.26 0.20 0.00 -0.02 0.00 0.00 31.44 30.21 2rfl n GLU 93 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2rfl h THR 94 N 0.00 1.25 -0.01 2.62 2.02 -1.75 -2.45 112.91 114.60 2rfl h THR 94 Ca 0.36 -1.18 -0.24 0.00 0.77 0.00 0.00 66.41 66.11 2rfl h THR 94 Cb 0.60 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2rfl h THR 94 CO -0.98 0.38 -0.97 1.88 0.37 0.00 0.00 175.52 176.20 2rfl h TYR 95 N 0.49 0.82 -0.41 3.16 -1.99 -1.30 -2.19 116.97 115.55 2rfl h TYR 95 Ca 0.08 -0.44 -0.09 0.00 2.00 0.00 0.00 58.73 60.28 2rfl h TYR 95 Cb 0.61 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 2rfl h TYR 95 CO 0.02 1.26 -0.10 -0.07 -0.00 0.00 0.00 178.16 179.27 2rfl h LEU 96 N 0.32 0.72 -0.84 3.88 -0.00 -1.06 -2.91 115.31 115.41 2rfl h LEU 96 Ca -0.10 -0.21 -0.08 0.00 -0.00 0.00 0.00 57.88 57.49 2rfl h LEU 96 Cb 1.61 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.06 2rfl h LEU 96 CO 0.18 0.85 -0.01 0.28 -0.00 0.00 0.00 178.44 179.74 2rfl h SER 97 N 0.66 0.83 0.69 -0.43 0.02 -1.36 -2.77 113.55 111.19 2rfl h SER 97 Ca 0.12 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2rfl h SER 97 Cb 0.56 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2rfl h SER 97 CO 0.03 0.90 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.49 2rfl h LEU 98 N 0.79 0.00 0.00 5.07 3.38 -1.19 -2.61 115.31 120.75 2rfl h LEU 98 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2rfl h LEU 98 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2rfl h LEU 98 CO 0.02 0.07 -0.22 0.40 0.09 0.00 0.00 178.44 178.80 2rfl h ILE 99 N 0.00 0.10 -0.08 1.22 2.04 -1.49 -3.38 117.51 115.93 2rfl h ILE 99 Ca -0.00 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2rfl h ILE 99 Cb 0.43 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2rfl h ILE 99 CO 0.01 0.04 0.08 0.00 0.00 0.00 0.00 178.15 178.27 2rfl h ALA 100 N -0.94 1.71 -0.05 1.87 0.00 -1.51 -2.95 119.26 117.39 2rfl h ALA 100 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2rfl h ALA 100 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2rfl h ALA 100 CO -0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 179.25 178.93 2rfl h ALA 101 N 1.91 1.60 -1.71 0.00 0.00 -1.63 -3.36 119.26 116.06 2rfl h ALA 101 Ca 0.04 -0.20 -0.78 0.00 0.00 0.00 0.00 54.91 53.96 2rfl h ALA 101 Cb 0.20 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.71 2rfl h ALA 101 CO -0.00 0.30 1.18 1.04 0.00 0.00 0.00 179.25 181.77 2rfl n GLN 102 N -4.28 3.86 0.00 0.00 1.13 -1.11 -4.76 117.38 112.23 2rfl n GLN 102 Ca -0.02 -4.12 0.15 0.00 -1.94 0.00 0.00 57.00 51.07 2rfl n GLN 102 Cb 0.27 -2.73 0.70 0.00 0.11 0.00 0.00 30.24 28.60 2rfl n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2rfl n THR 103 N 2.73 0.00 -0.02 5.09 -2.24 -1.26 -2.41 114.28 116.17 2rfl n THR 103 Ca 0.31 -0.06 0.06 0.00 -2.27 0.00 0.00 64.05 62.10 2rfl n THR 103 Cb 0.37 -0.18 0.14 0.00 -2.10 0.00 0.00 70.33 68.56 2rfl n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rfl n GLU 104 N -0.88 2.33 -4.30 -0.78 1.02 -1.26 -4.34 120.64 112.43 2rfl n GLU 104 Ca 0.17 -1.89 -0.34 0.00 -0.02 0.00 0.00 57.16 55.08 2rfl n GLU 104 Cb 0.24 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.24 2rfl n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rfl s VAL 105 N -1.00 3.30 0.05 2.62 1.01 -1.01 -5.03 120.40 120.34 2rfl s VAL 105 Ca 0.23 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2rfl s VAL 105 Cb 0.13 -2.45 -0.14 0.00 0.00 0.00 0.00 36.38 33.91 2rfl s VAL 105 CO 0.17 0.47 1.32 -0.61 0.00 0.00 0.00 175.10 176.46 2rfl h GLN 106 N 7.38 0.45 -5.77 2.72 4.15 -1.94 -3.24 115.11 118.85 2rfl h GLN 106 Ca -0.34 -0.27 -0.57 0.00 0.77 0.00 0.00 58.65 58.24 2rfl h GLN 106 Cb 1.18 0.02 -0.30 0.00 0.21 0.00 0.00 27.48 28.60 2rfl h GLN 106 CO 0.59 0.86 -0.84 -1.54 -1.93 0.00 0.00 178.83 175.97 2rfl s SER 107 N -6.32 2.20 0.00 -0.69 1.04 -1.26 -1.48 113.70 107.18 2rfl s SER 107 Ca -0.14 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2rfl s SER 107 Cb 0.06 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2rfl s SER 107 CO 0.78 0.23 0.00 0.55 0.98 0.00 0.00 173.24 175.78 2rfl n VAL 108 N 2.66 0.00 -3.67 5.02 3.14 -0.91 -1.67 118.33 122.90 2rfl n VAL 108 Ca -0.15 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.14 2rfl n VAL 108 Cb 0.53 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.22 2rfl n VAL 108 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2rfl s LEU 110 N 0.00 -0.47 -0.28 6.55 1.43 0.31 0.28 118.68 126.50 2rfl s LEU 110 Ca 0.00 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2rfl s LEU 110 Cb 0.00 1.74 0.04 0.00 0.03 0.00 0.00 46.19 48.00 2rfl s LEU 110 CO 0.00 -0.21 -0.03 -0.69 0.23 0.00 0.00 176.35 175.65 2rfl s VAL 111 N 1.64 2.90 0.00 -1.59 1.01 -0.39 0.11 120.40 124.07 2rfl s VAL 111 Ca -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2rfl s VAL 111 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2rfl s VAL 111 CO -0.15 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2rfl n GLY 112 N 4.63 3.34 3.46 4.51 0.00 0.58 -2.09 105.19 119.61 2rfl n GLY 112 Ca -0.14 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2rfl n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rfl s HIS 113 N -0.77 2.27 0.63 1.61 3.76 -1.26 -2.04 115.29 119.48 2rfl s HIS 113 Ca 0.00 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 2rfl s HIS 113 Cb 0.00 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.68 2rfl s HIS 113 CO 0.00 0.66 0.98 -0.80 -0.85 0.00 0.00 174.74 174.73 2rfl s ASN 114 N -3.33 5.65 0.43 1.40 0.02 -1.26 -2.92 114.94 114.92 2rfl s ASN 114 Ca 0.28 0.96 0.30 0.00 -1.02 0.00 0.00 52.86 53.38 2rfl s ASN 114 Cb -0.05 -1.91 1.29 0.00 0.02 0.00 0.00 41.25 40.60 2rfl s ASN 114 CO 0.14 -1.12 1.89 1.55 0.02 0.00 0.00 177.10 179.58 2rfl h PRO 115 N -0.34 0.00 0.00 -0.60 0.13 -2.01 -3.49 132.00 125.68 2rfl h PRO 115 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rfl h PRO 115 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2rfl h PRO 115 CO 0.62 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.80 2rfl n THR 116 N -2.70 0.00 0.00 1.56 -1.04 -1.15 -1.93 114.28 109.02 2rfl n THR 116 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2rfl n THR 116 Cb 0.24 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 2rfl n THR 116 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rfl n GLU 118 N 0.01 0.00 -0.33 -2.82 2.13 -1.26 -1.26 120.64 117.11 2rfl n GLU 118 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2rfl n GLU 118 Cb 0.00 0.00 0.16 0.00 0.27 0.00 0.00 31.44 31.87 2rfl n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rfl h ALA 119 N 0.00 1.25 0.71 4.31 0.00 -1.78 -2.15 119.26 121.61 2rfl h ALA 119 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2rfl h ALA 119 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2rfl h ALA 119 CO 0.00 0.31 -0.34 1.15 0.00 0.00 0.00 179.25 180.36 2rfl h THR 120 N 1.01 0.14 -0.83 0.00 2.02 -1.45 -1.46 112.91 112.33 2rfl h THR 120 Ca 0.40 -0.24 0.21 0.00 0.77 0.00 0.00 66.41 67.54 2rfl h THR 120 Cb 0.20 0.18 -0.13 0.00 -1.74 0.00 0.00 68.15 66.65 2rfl h THR 120 CO -0.18 0.02 0.20 0.25 0.37 0.00 0.00 175.52 176.17 2rfl h LEU 121 N -1.16 -0.03 -1.51 2.58 7.12 -1.85 0.18 115.31 120.64 2rfl h LEU 121 Ca -0.10 0.18 -0.05 0.00 0.13 0.00 0.00 57.88 58.04 2rfl h LEU 121 Cb 0.76 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 2rfl h LEU 121 CO 0.16 -0.12 -0.25 -0.08 -0.13 0.00 0.00 178.44 178.02 2rfl h GLU 122 N 0.22 0.00 -0.35 1.25 4.81 -1.39 -1.48 114.58 117.64 2rfl h GLU 122 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2rfl h GLU 122 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2rfl h GLU 122 CO -0.62 0.25 0.00 0.00 -0.73 0.00 0.00 179.01 177.91 2rfl n ALA 123 N -2.38 1.55 -0.00 2.92 0.00 0.61 -1.32 120.51 121.89 2rfl n ALA 123 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2rfl n ALA 123 Cb 0.33 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.89 2rfl n ALA 123 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2rfl n ILE 125 N 0.30 0.00 0.00 0.00 -5.35 -0.56 -5.10 119.36 108.65 2rfl n ILE 125 Ca 0.00 0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.94 2rfl n ILE 125 Cb 0.09 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 2rfl n ILE 125 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rfl n GLY 126 N -1.05 1.53 0.33 3.28 0.00 -0.43 -4.68 105.19 104.16 2rfl n GLY 126 Ca 0.06 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 2rfl n GLY 126 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2rfl h GLU 127 N 0.00 1.00 -0.29 1.61 4.11 -1.96 -2.51 114.58 116.54 2rfl h GLU 127 Ca 0.00 -0.15 -0.15 0.00 0.07 0.00 0.00 59.36 59.13 2rfl h GLU 127 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2rfl h GLU 127 CO 0.00 0.80 -0.40 -0.44 0.07 0.00 0.00 179.01 179.04 2rfl h ASP 128 N 0.99 0.86 1.41 3.06 3.32 -1.98 -1.49 116.42 122.59 2rfl h ASP 128 Ca 0.24 -0.50 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 2rfl h ASP 128 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2rfl h ASP 128 CO -0.03 1.20 -0.29 0.25 -1.72 0.00 0.00 179.24 178.65 2rfl h LEU 129 N 0.55 0.00 0.30 1.55 7.12 -1.83 -2.25 115.31 120.76 2rfl h LEU 129 Ca 0.03 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2rfl h LEU 129 Cb 1.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2rfl h LEU 129 CO 0.09 0.29 -0.15 0.25 -0.13 0.00 0.00 178.44 178.80 2rfl h LEU 130 N 0.00 -0.34 -0.99 2.25 7.12 -1.36 -2.25 115.31 119.74 2rfl h LEU 130 Ca -0.00 -0.18 -0.07 0.00 0.13 0.00 0.00 57.88 57.76 2rfl h LEU 130 Cb 1.07 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 2rfl h LEU 130 CO 0.04 0.02 -0.07 0.45 -0.13 0.00 0.00 178.44 178.75 2rfl h HIS 131 N -0.75 0.70 -0.00 1.25 3.86 -1.21 2.78 115.15 121.77 2rfl h HIS 131 Ca -0.04 -0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 58.89 2rfl h HIS 131 Cb 0.50 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2rfl h HIS 131 CO 0.02 0.71 -0.79 0.00 0.86 0.00 0.00 177.93 178.73 2rfl h ALA 132 N 1.32 0.68 0.03 2.45 0.00 -1.52 -2.88 119.26 119.35 2rfl h ALA 132 Ca 0.11 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2rfl h ALA 132 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2rfl h ALA 132 CO 0.03 0.95 -0.62 0.00 0.00 0.00 0.00 179.25 179.60 2rfl h ALA 133 N 1.17 0.09 -3.25 0.00 0.00 -0.77 -3.42 119.26 113.07 2rfl h ALA 133 Ca -0.02 -0.80 -0.68 0.00 0.00 0.00 0.00 54.91 53.42 2rfl h ALA 133 Cb 1.39 0.28 -0.37 0.00 0.00 0.00 0.00 17.79 19.09 2rfl h ALA 133 CO 0.11 0.34 -0.45 -0.51 0.00 0.00 0.00 179.25 178.74 2rfl s LEU 134 N -8.00 4.91 0.01 0.00 1.43 0.93 -4.97 118.68 112.99 2rfl s LEU 134 Ca -0.21 -2.94 -0.27 0.00 -1.03 0.00 0.00 54.13 49.68 2rfl s LEU 134 Cb 0.01 -1.78 -0.15 0.00 0.03 0.00 0.00 46.19 44.30 2rfl s LEU 134 CO 0.69 -0.31 1.12 -0.65 0.23 0.00 0.00 176.35 177.42 2rfl h PRO 135 N 6.80 -0.91 -0.81 1.29 0.11 -1.71 -3.26 132.00 133.52 2rfl h PRO 135 Ca -0.03 0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 2rfl h PRO 135 Cb 0.93 0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2rfl h PRO 135 CO 0.70 -0.60 0.14 -1.13 -0.21 0.00 0.00 178.00 176.90 2rfl n SER 136 N -5.40 3.93 0.00 -2.05 3.41 -1.26 -4.97 113.62 107.27 2rfl n SER 136 Ca -0.12 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 2rfl n SER 136 Cb 0.38 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2rfl n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rfl n GLY 137 N 0.10 -0.78 3.42 5.00 0.00 -1.23 -4.88 105.19 106.82 2rfl n GLY 137 Ca 0.25 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 2rfl n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rfl s PHE 138 N 0.00 3.24 0.66 1.61 2.19 -1.26 -4.76 117.98 119.67 2rfl s PHE 138 Ca 0.00 -0.77 -0.11 0.00 0.33 0.00 0.00 56.93 56.38 2rfl s PHE 138 Cb 0.00 -2.88 -0.01 0.00 -1.31 0.00 0.00 43.02 38.82 2rfl s PHE 138 CO 0.00 -0.70 1.06 -1.25 1.83 0.00 0.00 175.22 176.16 2rfl s PRO 139 N 1.66 3.17 0.39 10.12 0.05 -1.26 -4.91 135.00 144.22 2rfl s PRO 139 Ca 0.04 0.56 -0.27 0.00 0.05 0.00 0.00 61.00 61.38 2rfl s PRO 139 Cb -0.22 -2.06 -0.09 0.00 0.05 0.00 0.00 34.50 32.18 2rfl s PRO 139 CO 0.08 -0.82 1.35 0.95 0.05 0.00 0.00 177.00 178.61 2rfl s THR 140 N -3.26 2.47 -1.81 1.26 -4.23 -1.26 -0.56 115.64 108.24 2rfl s THR 140 Ca 0.57 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 2rfl s THR 140 Cb -0.11 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2rfl s THR 140 CO 0.52 0.08 0.00 -0.24 -0.54 0.00 0.00 174.62 174.45 2rfl n SER 141 N 0.32 -5.13 -4.77 3.99 2.88 -0.48 -4.58 113.62 105.84 2rfl n SER 141 Ca 0.02 0.28 -0.38 0.00 -1.33 0.00 0.00 58.87 57.46 2rfl n SER 141 Cb 0.42 -4.45 -0.06 0.00 -0.75 0.00 0.00 64.21 59.38 2rfl n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rfl s GLY 142 N -2.35 2.91 -0.24 0.46 0.00 0.28 -4.40 107.32 103.98 2rfl s GLY 142 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.31 2rfl s GLY 142 CO 0.00 1.08 -0.03 -2.27 0.00 0.00 0.00 173.10 171.88 2rfl s LEU 143 N -1.80 2.48 -0.25 0.66 2.96 0.74 -3.03 118.68 120.43 2rfl s LEU 143 Ca 0.48 -1.21 -0.14 0.00 -0.22 0.00 0.00 54.13 53.04 2rfl s LEU 143 Cb -0.22 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 2rfl s LEU 143 CO 0.27 -0.26 0.32 0.00 -1.32 0.00 0.00 176.35 175.36 2rfl s ALA 144 N 1.44 3.57 -0.28 5.97 0.00 -0.35 -1.37 121.76 130.74 2rfl s ALA 144 Ca -0.04 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2rfl s ALA 144 Cb -0.19 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2rfl s ALA 144 CO -0.08 -0.49 0.06 0.08 0.00 0.00 0.00 175.76 175.34 2rfl s VAL 145 N 1.70 3.92 -0.08 0.00 1.01 -0.95 -1.67 120.40 124.32 2rfl s VAL 145 Ca 0.14 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2rfl s VAL 145 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2rfl s VAL 145 CO 0.09 0.16 -0.21 -0.76 0.00 0.00 0.00 175.10 174.38 2rfl s LEU 146 N 1.51 1.97 -0.10 3.92 1.02 -0.57 0.77 118.68 127.20 2rfl s LEU 146 Ca 0.03 -0.48 -0.10 0.00 0.02 0.00 0.00 54.13 53.60 2rfl s LEU 146 Cb -0.17 -1.24 -0.05 0.00 0.02 0.00 0.00 46.19 44.76 2rfl s LEU 146 CO 0.02 0.14 0.24 -1.81 0.02 0.00 0.00 176.35 174.96 2rfl s ASP 147 N 0.32 6.50 0.19 2.29 1.11 0.40 -1.15 116.67 126.33 2rfl s ASP 147 Ca -0.15 0.60 -0.32 0.00 0.18 0.00 0.00 52.55 52.86 2rfl s ASP 147 Cb -0.16 -2.14 -0.15 0.00 1.07 0.00 0.00 42.92 41.53 2rfl s ASP 147 CO 0.07 0.32 1.16 1.67 1.18 0.00 0.00 175.17 179.57 2rfl n GLN 148 N 2.29 1.24 -4.48 8.23 7.27 0.27 -0.46 117.38 131.74 2rfl n GLN 148 Ca -0.17 0.44 -0.39 0.00 0.07 0.00 0.00 57.00 56.95 2rfl n GLN 148 Cb 0.54 -1.93 -0.09 0.00 2.41 0.00 0.00 30.24 31.17 2rfl n GLN 148 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2rfl n ARG 158 N 1.66 -0.78 -1.65 3.69 1.74 -1.26 -4.65 116.66 115.40 2rfl n ARG 158 Ca 0.14 0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.95 2rfl n ARG 158 Cb 0.26 -4.37 0.02 0.00 -1.02 0.00 0.00 32.46 27.35 2rfl n ARG 158 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2rfl n TRP 159 N -4.22 1.52 -4.04 -1.55 7.02 -1.26 -5.02 117.44 109.89 2rfl n TRP 159 Ca -0.02 0.50 -0.31 0.00 -1.02 0.00 0.00 57.50 56.65 2rfl n TRP 159 Cb 0.53 -2.27 -0.16 0.00 -2.42 0.00 0.00 31.31 26.99 2rfl n TRP 159 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2rfl s ARG 160 N -2.34 2.27 -0.28 -0.99 3.52 0.40 -4.82 118.95 116.71 2rfl s ARG 160 Ca 0.66 -0.94 -0.29 0.00 -0.13 0.00 0.00 55.73 55.03 2rfl s ARG 160 Cb -0.49 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 2rfl s ARG 160 CO 0.54 -0.41 1.66 -1.17 -0.81 0.00 0.00 175.30 175.11 2rfl s LEU 161 N 1.31 3.72 -0.11 -0.88 2.96 -1.26 -0.45 118.68 123.97 2rfl s LEU 161 Ca -0.02 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2rfl s LEU 161 Cb -0.16 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 2rfl s LEU 161 CO -0.08 -1.43 0.41 -0.38 -1.32 0.00 0.00 176.35 173.54 2rfl n ILE 162 N 6.84 1.61 -3.80 6.68 5.41 0.23 -4.95 119.36 131.39 2rfl n ILE 162 Ca 0.20 -0.75 -0.05 0.00 1.00 0.00 0.00 62.75 63.15 2rfl n ILE 162 Cb 0.46 -1.16 -0.01 0.00 -0.71 0.00 0.00 39.64 38.22 2rfl n ILE 162 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2rfl s ASP 163 N -6.28 -0.18 -0.23 4.38 3.68 -1.10 -5.03 116.67 111.91 2rfl s ASP 163 Ca -0.13 -0.51 -0.04 0.00 2.13 0.00 0.00 52.55 54.00 2rfl s ASP 163 Cb 0.07 0.58 0.12 0.00 -1.45 0.00 0.00 42.92 42.24 2rfl s ASP 163 CO 0.79 -1.07 0.40 0.12 0.13 0.00 0.00 175.17 175.54 2rfl s PHE 164 N -3.39 -0.84 0.13 -5.34 2.19 -1.26 -2.24 117.98 107.23 2rfl s PHE 164 Ca 0.12 1.12 -0.02 0.00 0.33 0.00 0.00 56.93 58.48 2rfl s PHE 164 Cb -0.03 0.14 -0.05 0.00 -1.31 0.00 0.00 43.02 41.78 2rfl s PHE 164 CO 0.04 -0.63 0.33 -0.51 1.83 0.00 0.00 175.22 176.27 2rfl s LEU 165 N 2.58 4.29 -0.19 6.12 1.43 -0.47 -4.92 118.68 127.52 2rfl s LEU 165 Ca 0.08 0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2rfl s LEU 165 Cb -0.14 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 43.02 2rfl s LEU 165 CO -0.15 0.07 0.96 0.00 0.23 0.00 0.00 176.35 177.46 2rfl s ALA 166 N -1.65 -1.92 -2.00 4.21 0.00 -1.26 -0.18 121.76 118.95 2rfl s ALA 166 Ca 0.39 1.66 0.19 0.00 0.00 0.00 0.00 51.96 54.19 2rfl s ALA 166 Cb -0.12 -0.86 1.14 0.00 0.00 0.00 0.00 23.12 23.28 2rfl s ALA 166 CO 0.27 -0.30 1.53 -2.30 0.00 0.00 0.00 175.76 174.96