#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfl s PHE 5 N 0.00 3.48 0.31 0.66 0.40 -1.26 -4.36 117.98 117.21 2rfl s PHE 5 Ca 0.00 0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 56.49 2rfl s PHE 5 Cb 0.00 -1.94 -0.09 0.00 0.51 0.00 0.00 43.02 41.50 2rfl s PHE 5 CO 0.00 0.29 1.06 -1.25 0.70 0.00 0.00 175.22 176.02 2rfl s PRO 6 N -3.46 4.53 0.01 0.24 0.05 -1.23 -4.48 135.00 130.66 2rfl s PRO 6 Ca 0.40 1.67 0.23 0.00 0.05 0.00 0.00 61.00 63.35 2rfl s PRO 6 Cb -0.11 -3.01 0.11 0.00 0.05 0.00 0.00 34.50 31.54 2rfl s PRO 6 CO 0.30 0.16 1.11 0.25 0.05 0.00 0.00 177.00 178.87 2rfl n THR 7 N 0.86 0.04 -4.38 1.26 -2.24 0.11 -4.90 114.28 105.03 2rfl n THR 7 Ca 0.01 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 2rfl n THR 7 Cb 0.47 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 -3.06 0.81 -0.04 -0.78 6.06 -1.15 -3.21 118.95 117.59 2rfl s ARG 8 Ca 0.08 -0.32 0.03 0.00 -2.50 0.00 0.00 55.73 53.02 2rfl s ARG 8 Cb 0.16 -0.78 0.00 0.00 0.06 0.00 0.00 34.95 34.40 2rfl s ARG 8 CO 0.79 0.17 -0.13 0.08 -2.50 0.00 0.00 175.30 173.71 2rfl s VAL 9 N -0.07 1.09 -0.08 7.11 1.01 -0.42 -2.62 120.40 126.42 2rfl s VAL 9 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2rfl s VAL 9 Cb -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2rfl s VAL 9 CO -0.00 0.33 -0.11 -0.31 0.00 0.00 0.00 175.10 175.01 2rfl s TYR 10 N 0.28 2.82 -0.17 5.22 1.51 -0.69 -1.25 117.35 125.07 2rfl s TYR 10 Ca -0.07 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2rfl s TYR 10 Cb -0.12 -1.72 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2rfl s TYR 10 CO 0.02 0.13 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.98 2rfl s LEU 11 N -0.44 1.93 -0.19 -1.29 1.43 -0.11 -1.92 118.68 118.09 2rfl s LEU 11 Ca 0.06 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2rfl s LEU 11 Cb -0.12 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.00 2rfl s LEU 11 CO 0.02 -0.13 -0.17 -0.22 0.23 0.00 0.00 176.35 176.08 2rfl s LEU 12 N 1.49 2.30 0.22 1.79 2.96 -0.06 -0.22 118.68 127.16 2rfl s LEU 12 Ca 0.01 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.86 2rfl s LEU 12 Cb -0.15 -1.44 -0.09 0.00 0.50 0.00 0.00 46.19 45.02 2rfl s LEU 12 CO -0.09 -0.05 0.90 -0.60 -1.32 0.00 0.00 176.35 175.20 2rfl s ARG 13 N 1.29 4.79 0.72 1.98 3.52 -0.96 -2.53 118.95 127.75 2rfl s ARG 13 Ca 0.02 1.41 -0.16 0.00 -0.13 0.00 0.00 55.73 56.87 2rfl s ARG 13 Cb -0.14 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 2rfl s ARG 13 CO -0.11 0.52 0.33 -2.39 -0.81 0.00 0.00 175.30 172.84 2rfl n HIS 14 N 1.55 -1.46 -1.22 5.12 1.44 -1.18 -1.52 115.22 117.95 2rfl n HIS 14 Ca -0.03 0.33 -0.34 0.00 -2.01 0.00 0.00 57.72 55.68 2rfl n HIS 14 Cb 0.47 -1.84 0.12 0.00 0.12 0.00 0.00 29.99 28.86 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 -1.94 1.93 0.36 1.59 0.00 -1.26 -0.45 121.76 121.99 2rfl s ALA 15 Ca 0.62 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 53.17 2rfl s ALA 15 Cb -0.35 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.16 2rfl s ALA 15 CO 0.61 -2.16 1.31 1.17 0.00 0.00 0.00 175.76 176.68 2rfl n LYS 16 N -3.11 2.14 -4.71 0.00 4.81 -1.26 -4.82 118.16 111.21 2rfl n LYS 16 Ca 0.14 0.75 -0.31 0.00 -0.87 0.00 0.00 58.31 58.01 2rfl n LYS 16 Cb 0.50 -2.38 -0.08 0.00 0.02 0.00 0.00 35.03 33.10 2rfl n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rfl s ALA 17 N -1.12 3.85 -0.05 3.14 0.00 -1.26 -3.91 121.76 122.42 2rfl s ALA 17 Ca 0.56 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 2rfl s ALA 17 Cb -0.55 0.13 -0.16 0.00 0.00 0.00 0.00 23.12 22.54 2rfl s ALA 17 CO 0.62 -0.07 0.90 0.00 0.00 0.00 0.00 175.76 177.21 2rfl h ALA 18 N 1.46 -0.20 -2.34 0.00 0.00 -1.35 -3.40 119.26 113.41 2rfl h ALA 18 Ca -0.43 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2rfl h ALA 18 Cb 1.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2rfl h ALA 18 CO 0.73 -0.30 0.00 -3.47 0.00 0.00 0.00 179.25 176.21 2rfl n ASP 26 N -4.92 0.00 -0.28 0.00 2.03 -1.26 -4.99 116.55 107.14 2rfl n ASP 26 Ca -0.08 0.03 0.09 0.00 0.52 0.00 0.00 54.79 55.35 2rfl n ASP 26 Cb 0.27 -0.11 0.23 0.00 -0.72 0.00 0.00 41.12 40.79 2rfl n ASP 26 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2rfl h PHE 27 N 0.00 0.28 0.00 -0.67 3.04 -2.01 -1.54 116.94 116.04 2rfl h PHE 27 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2rfl h PHE 27 Cb 0.00 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.52 2rfl h PHE 27 CO 0.00 -0.17 0.00 -0.25 -2.02 0.00 0.00 178.31 175.87 2rfl n ASP 28 N -5.21 0.00 -4.66 0.41 9.92 -1.26 -2.11 116.55 113.64 2rfl n ASP 28 Ca 0.18 0.03 -0.43 0.00 -0.53 0.00 0.00 54.79 54.04 2rfl n ASP 28 Cb 0.58 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 2rfl n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rfl s ARG 29 N -2.67 4.22 0.40 -1.24 1.70 -0.58 -4.79 118.95 115.99 2rfl s ARG 29 Ca 0.23 1.73 0.05 0.00 -0.47 0.00 0.00 55.73 57.27 2rfl s ARG 29 Cb 0.18 -3.79 0.07 0.00 -0.57 0.00 0.00 34.95 30.84 2rfl s ARG 29 CO 0.43 -0.73 0.56 0.41 -1.08 0.00 0.00 175.30 174.89 2rfl n GLY 30 N 3.68 1.71 3.78 3.88 0.00 -1.26 -3.13 105.19 113.85 2rfl n GLY 30 Ca 0.14 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 4.24 0.00 0.99 1.43 -1.26 -1.11 118.68 122.96 2rfl s LEU 31 Ca 0.41 2.00 -0.04 0.00 -1.03 0.00 0.00 54.13 55.47 2rfl s LEU 31 Cb -0.03 -4.09 0.08 0.00 0.03 0.00 0.00 46.19 42.18 2rfl s LEU 31 CO 0.26 -0.33 0.47 -0.46 0.23 0.00 0.00 176.35 176.52 2rfl n ASN 32 N 0.23 0.22 0.09 2.29 0.23 -1.25 -4.54 115.26 112.53 2rfl n ASN 32 Ca 0.04 -1.28 -0.07 0.00 -0.53 0.00 0.00 54.58 52.73 2rfl n ASN 32 Cb 0.49 -0.34 -0.01 0.00 -2.08 0.00 0.00 39.78 37.84 2rfl n ASN 32 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2rfl h GLU 33 N 0.00 0.11 -0.50 -3.83 5.08 -1.97 -0.66 114.58 112.80 2rfl h GLU 33 Ca -0.15 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2rfl h GLU 33 Cb 0.46 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2rfl h GLU 33 CO 0.13 0.92 0.34 0.00 -1.00 0.00 0.00 179.01 179.39 2rfl h ALA 34 N 1.04 2.10 0.08 3.43 0.00 -1.95 -3.36 119.26 120.60 2rfl h ALA 34 Ca -0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2rfl h ALA 34 Cb 1.53 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2rfl h ALA 34 CO 0.13 -0.21 -1.73 0.78 0.00 0.00 0.00 179.25 178.21 2rfl h GLY 35 N 0.28 0.20 0.24 0.00 0.00 -1.34 -3.00 103.07 99.45 2rfl h GLY 35 Ca 0.23 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2rfl h GLY 35 CO -0.05 0.46 -0.25 0.74 0.00 0.00 0.00 176.54 177.44 2rfl h PHE 36 N -0.31 -0.66 0.00 5.60 0.04 -1.55 -1.65 116.94 118.41 2rfl h PHE 36 Ca -0.40 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.32 2rfl h PHE 36 Cb 1.78 0.32 -0.01 0.00 2.20 0.00 0.00 35.95 40.24 2rfl h PHE 36 CO 0.09 -0.33 -0.41 0.00 -0.60 0.00 0.00 178.31 177.06 2rfl h ALA 37 N 0.67 1.09 -0.13 2.45 0.00 -1.70 0.12 119.26 121.75 2rfl h ALA 37 Ca 0.11 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2rfl h ALA 37 Cb 0.46 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2rfl h ALA 37 CO -0.33 0.51 -0.56 0.93 0.00 0.00 0.00 179.25 179.80 2rfl h GLU 38 N 0.00 0.62 0.08 0.00 5.08 -1.35 0.30 114.58 119.32 2rfl h GLU 38 Ca -0.00 -0.48 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2rfl h GLU 38 Cb 0.85 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2rfl h GLU 38 CO 0.05 1.11 -0.46 0.00 -1.00 0.00 0.00 179.01 178.71 2rfl h ALA 39 N 0.52 -0.81 -0.84 3.43 0.00 -1.13 -2.04 119.26 118.38 2rfl h ALA 39 Ca -0.03 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.01 2rfl h ALA 39 Cb 1.19 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.64 2rfl h ALA 39 CO 0.12 -1.03 0.17 1.49 0.00 0.00 0.00 179.25 179.99 2rfl h GLU 40 N -0.67 0.18 0.61 0.00 4.81 -0.57 -1.66 114.58 117.28 2rfl h GLU 40 Ca 0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2rfl h GLU 40 Cb 0.70 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2rfl h GLU 40 CO -0.28 0.12 -0.41 0.82 -0.73 0.00 0.00 179.01 178.53 2rfl h ILE 41 N 0.19 0.00 -0.99 2.32 5.03 -0.26 -2.16 117.51 121.64 2rfl h ILE 41 Ca 0.50 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.49 2rfl h ILE 41 Cb 0.97 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.63 2rfl h ILE 41 CO -0.65 0.00 0.57 0.40 -0.68 0.00 0.00 178.15 177.79 2rfl h ILE 42 N -0.97 0.52 -0.57 -0.67 1.08 -1.00 0.15 117.51 116.05 2rfl h ILE 42 Ca -0.08 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 64.13 2rfl h ILE 42 Cb 0.79 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2rfl h ILE 42 CO 0.06 0.10 0.08 0.00 -0.69 0.00 0.00 178.15 177.70 2rfl h ALA 43 N 1.73 1.06 0.60 1.87 0.00 -1.33 -0.89 119.26 122.30 2rfl h ALA 43 Ca 0.64 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2rfl h ALA 43 Cb 1.22 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2rfl h ALA 43 CO -0.49 0.61 -0.29 -0.44 0.00 0.00 0.00 179.25 178.64 2rfl h ASP 44 N 0.88 -0.68 -0.85 0.00 3.32 -0.07 -2.09 116.42 116.93 2rfl h ASP 44 Ca 0.18 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.29 2rfl h ASP 44 Cb 0.41 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.06 2rfl h ASP 44 CO 0.01 -0.38 0.51 -0.07 -1.72 0.00 0.00 179.24 177.59 2rfl h LEU 45 N -0.98 0.76 -1.52 1.55 4.07 -1.20 0.96 115.31 118.95 2rfl h LEU 45 Ca -0.08 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.00 2rfl h LEU 45 Cb 0.67 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.25 2rfl h LEU 45 CO 0.14 0.45 0.44 0.00 -1.08 0.00 0.00 178.44 178.39 2rfl h ALA 46 N 1.44 1.90 0.00 1.53 0.00 -1.17 -2.51 119.26 120.45 2rfl h ALA 46 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2rfl h ALA 46 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2rfl h ALA 46 CO -0.22 -0.03 -0.24 0.00 0.00 0.00 0.00 179.25 178.76 2rfl h ALA 47 N 1.66 0.86 0.02 0.00 0.00 -0.12 0.20 119.26 121.88 2rfl h ALA 47 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.98 2rfl h ALA 47 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2rfl h ALA 47 CO -0.10 0.00 -1.19 -0.44 0.00 0.00 0.00 179.25 177.53 2rfl h ASP 48 N 0.00 0.08 -0.00 0.00 3.32 -0.90 -3.30 116.42 115.62 2rfl h ASP 48 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2rfl h ASP 48 Cb 0.86 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2rfl h ASP 48 CO 0.00 1.07 -0.12 0.54 -1.72 0.00 0.00 179.24 179.01 2rfl n ARG 49 N -3.33 1.83 -3.81 3.56 1.74 -0.98 -4.96 116.66 110.71 2rfl n ARG 49 Ca -0.05 -1.41 -0.27 0.00 -0.77 0.00 0.00 57.85 55.36 2rfl n ARG 49 Cb 0.98 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.98 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 0.64 -5.57 -1.74 5.56 5.12 0.05 -4.90 116.66 115.82 2rfl n ARG 50 Ca 0.14 0.63 -0.42 0.00 -1.93 0.00 0.00 57.85 56.27 2rfl n ARG 50 Cb 0.50 -5.43 -0.00 0.00 -1.16 0.00 0.00 32.46 26.37 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 -4.57 3.54 -3.45 -1.55 4.01 0.50 -4.95 117.16 110.69 2rfl n TYR 51 Ca -0.08 -2.96 -0.43 0.00 -0.16 0.00 0.00 57.90 54.27 2rfl n TYR 51 Cb 0.58 -2.55 -0.07 0.00 -0.31 0.00 0.00 39.34 36.99 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 3.25 2.71 0.50 -0.72 3.52 -1.26 -4.80 118.95 122.15 2rfl s ARG 52 Ca 0.47 -1.71 -0.21 0.00 -0.13 0.00 0.00 55.73 54.15 2rfl s ARG 52 Cb 0.14 -4.08 -0.07 0.00 -1.56 0.00 0.00 34.95 29.37 2rfl s ARG 52 CO -0.08 -1.23 1.10 -1.25 -0.81 0.00 0.00 175.30 173.03 2rfl s PRO 53 N 1.47 3.62 0.24 5.12 0.04 -1.26 -4.92 135.00 139.31 2rfl s PRO 53 Ca 0.04 1.55 0.12 0.00 0.04 0.00 0.00 61.00 62.75 2rfl s PRO 53 Cb -0.28 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 32.30 2rfl s PRO 53 CO 0.01 -0.62 1.49 -0.44 0.04 0.00 0.00 177.00 177.49 2rfl h ASP 54 N 1.55 0.00 -3.43 6.66 3.32 -1.65 -3.45 116.42 119.42 2rfl h ASP 54 Ca -0.50 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.26 2rfl h ASP 54 Cb 1.24 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.45 2rfl h ASP 54 CO 0.58 0.69 -0.69 -0.22 -1.72 0.00 0.00 179.24 177.89 2rfl s LEU 55 N -7.01 0.75 -0.23 1.55 2.96 -1.13 -2.89 118.68 112.67 2rfl s LEU 55 Ca 0.01 0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 2rfl s LEU 55 Cb 0.11 0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.83 2rfl s LEU 55 CO 0.77 -0.16 0.09 -0.63 -1.32 0.00 0.00 176.35 175.10 2rfl s ILE 56 N 1.36 4.68 -0.22 6.68 1.01 0.29 -4.34 121.20 130.66 2rfl s ILE 56 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 2rfl s ILE 56 Cb -0.12 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 2rfl s ILE 56 CO -0.04 0.36 0.20 -0.76 0.00 0.00 0.00 174.94 174.70 2rfl s LEU 57 N 1.21 4.16 -0.03 2.97 1.43 -1.26 -2.07 118.68 125.09 2rfl s LEU 57 Ca 0.05 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2rfl s LEU 57 Cb -0.14 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2rfl s LEU 57 CO 0.04 0.08 -0.09 -0.55 0.23 0.00 0.00 176.35 176.06 2rfl s SER 58 N 0.82 1.26 0.70 2.29 0.15 -0.91 -0.63 113.70 117.38 2rfl s SER 58 Ca 0.10 -0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 2rfl s SER 58 Cb -0.13 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 2rfl s SER 58 CO 0.03 0.05 0.58 -0.24 1.20 0.00 0.00 173.24 174.86 2rfl n SER 59 N 3.43 -0.97 -0.34 5.45 2.88 -0.20 -0.44 113.62 123.42 2rfl n SER 59 Ca -0.20 0.62 0.13 0.00 -1.33 0.00 0.00 58.87 58.10 2rfl n SER 59 Cb 0.54 -1.23 0.42 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.28 0.00 -1.69 2.46 -2.24 -1.25 -4.09 114.28 105.20 2rfl n THR 60 Ca 0.11 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 2rfl n THR 60 Cb 0.49 0.45 0.07 0.00 -2.10 0.00 0.00 70.33 69.24 2rfl n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rfl s ALA 61 N -2.32 2.31 0.14 6.98 0.00 -1.26 -4.72 121.76 122.89 2rfl s ALA 61 Ca 0.29 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 2rfl s ALA 61 Cb 0.20 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2rfl s ALA 61 CO 0.45 -1.60 1.71 0.00 0.00 0.00 0.00 175.76 176.32 2rfl h ALA 62 N 0.28 0.51 -0.58 0.00 0.00 -1.64 0.31 119.26 118.14 2rfl h ALA 62 Ca -0.49 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2rfl h ALA 62 Cb 1.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2rfl h ALA 62 CO 0.52 0.09 0.22 0.07 0.00 0.00 0.00 179.25 180.15 2rfl h ARG 63 N 0.50 0.88 -0.17 0.00 0.11 -1.80 0.16 114.38 114.05 2rfl h ARG 63 Ca 0.14 -0.17 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2rfl h ARG 63 Cb 0.13 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2rfl h ARG 63 CO -0.02 0.76 0.07 0.00 0.10 0.00 0.00 179.97 180.89 2rfl h ARG 65 N 0.13 0.12 0.00 0.00 3.08 -0.17 -1.95 114.38 115.59 2rfl h ARG 65 Ca 0.06 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2rfl h ARG 65 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2rfl h ARG 65 CO -0.00 0.08 -0.43 1.96 -1.07 0.00 0.00 179.97 180.50 2rfl h GLN 66 N 0.12 0.00 -0.30 0.04 4.20 -0.64 -2.08 115.11 116.45 2rfl h GLN 66 Ca 0.17 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2rfl h GLN 66 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2rfl h GLN 66 CO -0.27 0.43 -0.10 1.15 -0.67 0.00 0.00 178.83 179.37 2rfl h THR 67 N 0.00 1.22 -0.00 -0.54 2.02 -0.53 -3.24 112.91 111.85 2rfl h THR 67 Ca -0.00 -0.97 -0.22 0.00 0.77 0.00 0.00 66.41 65.99 2rfl h THR 67 Cb 0.93 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2rfl h THR 67 CO 0.06 0.32 -0.92 0.74 0.37 0.00 0.00 175.52 176.09 2rfl h THR 68 N 0.47 1.43 -0.29 3.16 2.02 -0.67 -3.03 112.91 116.00 2rfl h THR 68 Ca 0.09 -2.49 0.03 0.00 0.77 0.00 0.00 66.41 64.81 2rfl h THR 68 Cb 0.46 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 2rfl h THR 68 CO 0.03 0.74 0.19 1.56 0.37 0.00 0.00 175.52 178.41 2rfl h GLN 69 N 0.19 0.25 -0.96 6.66 4.20 -1.50 -0.03 115.11 123.91 2rfl h GLN 69 Ca -0.07 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2rfl h GLN 69 Cb 1.55 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.22 2rfl h GLN 69 CO 0.15 0.16 0.64 0.00 -0.67 0.00 0.00 178.83 179.11 2rfl h ALA 70 N 1.84 1.24 -0.33 3.87 0.00 -1.63 -2.32 119.26 121.94 2rfl h ALA 70 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2rfl h ALA 70 Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2rfl h ALA 70 CO -0.02 0.58 -0.29 -1.49 0.00 0.00 0.00 179.25 178.02 2rfl h TRP 71 N 1.28 0.81 0.00 0.00 4.06 -1.13 -2.00 115.95 118.96 2rfl h TRP 71 Ca 0.36 -0.20 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 2rfl h TRP 71 Cb -0.10 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 27.87 2rfl h TRP 71 CO -0.00 0.91 -0.02 1.96 -3.56 0.00 0.00 178.44 177.73 2rfl h GLN 72 N 0.60 0.00 0.00 0.49 4.20 -1.21 -2.15 115.11 117.04 2rfl h GLN 72 Ca 0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2rfl h GLN 72 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2rfl h GLN 72 CO 0.07 0.02 -0.72 0.00 -0.67 0.00 0.00 178.83 177.53 2rfl h ARG 73 N 0.00 0.00 0.00 1.46 3.08 -0.84 -3.32 114.38 114.76 2rfl h ARG 73 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2rfl h ARG 73 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2rfl h ARG 73 CO 0.00 0.19 -1.76 0.00 -1.07 0.00 0.00 179.97 177.33 2rfl n ALA 74 N -2.22 2.76 -2.99 0.04 0.00 -0.93 -5.10 120.51 112.08 2rfl n ALA 74 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2rfl n ALA 74 Cb 0.65 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.35 0.00 0.00 0.00 3.72 -0.85 -4.96 117.46 113.03 2rfl n PHE 75 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2rfl n PHE 75 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 2rfl n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rfl n GLY 78 N 2.92 0.52 3.55 1.37 0.00 -1.26 -4.91 105.19 107.38 2rfl n GLY 78 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2rfl n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rfl s ILE 79 N -2.00 4.37 -0.09 -0.61 -0.00 -1.26 -5.01 121.20 116.60 2rfl s ILE 79 Ca 0.00 0.63 -0.40 0.00 -0.00 0.00 0.00 60.65 60.88 2rfl s ILE 79 Cb 0.00 -4.52 -0.18 0.00 -0.00 0.00 0.00 42.46 37.76 2rfl s ILE 79 CO 0.00 -1.01 1.36 0.47 -0.00 0.00 0.00 174.94 175.77 2rfl n ASP 80 N 7.47 1.18 -3.65 4.36 9.92 -1.14 -4.81 116.55 129.87 2rfl n ASP 80 Ca 0.05 1.13 -0.24 0.00 -0.53 0.00 0.00 54.79 55.21 2rfl n ASP 80 Cb 0.48 -1.05 -0.17 0.00 -0.64 0.00 0.00 41.12 39.74 2rfl n ASP 80 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2rfl s ILE 81 N 1.24 -0.02 -0.01 0.53 1.01 -1.26 -0.55 121.20 122.13 2rfl s ILE 81 Ca 0.92 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.66 2rfl s ILE 81 Cb -1.16 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2rfl s ILE 81 CO 0.59 -0.09 -0.24 0.68 0.00 0.00 0.00 174.94 175.87 2rfl s VAL 82 N 2.12 1.93 -0.14 2.92 -7.23 -0.88 -5.01 120.40 114.12 2rfl s VAL 82 Ca 0.03 -1.09 -0.06 0.00 -1.81 0.00 0.00 61.98 59.05 2rfl s VAL 82 Cb -0.15 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2rfl s VAL 82 CO -0.07 0.51 0.07 -0.31 -0.31 0.00 0.00 175.10 174.99 2rfl s TYR 83 N -0.61 3.35 -0.28 2.82 2.02 -1.26 -2.14 117.35 121.25 2rfl s TYR 83 Ca 0.10 0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 57.05 2rfl s TYR 83 Cb -0.09 -1.96 0.09 0.00 -0.40 0.00 0.00 41.96 39.60 2rfl s TYR 83 CO -0.00 0.44 0.07 0.42 -1.57 0.00 0.00 175.55 174.91 2rfl s ILE 84 N -0.43 0.80 0.25 2.71 1.01 0.41 -4.95 121.20 120.99 2rfl s ILE 84 Ca 0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 2rfl s ILE 84 Cb -0.12 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.91 2rfl s ILE 84 CO 0.02 -0.53 1.68 -0.78 0.00 0.00 0.00 174.94 175.33 2rfl h ASP 85 N 8.13 0.64 0.00 3.58 3.58 -1.93 -3.31 116.42 127.10 2rfl h ASP 85 Ca -0.15 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.04 2rfl h ASP 85 Cb 1.04 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 2rfl h ASP 85 CO 0.43 0.85 0.33 -0.62 -2.88 0.00 0.00 179.24 177.35 2rfl n GLU 86 N -4.12 0.50 0.00 0.28 1.02 -1.26 -4.72 120.64 112.33 2rfl n GLU 86 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2rfl n GLU 86 Cb 0.41 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2rfl n TYR 88 N 2.93 0.00 -3.66 -0.32 9.36 -1.26 -4.09 117.16 120.13 2rfl n TYR 88 Ca 0.11 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.10 2rfl n TYR 88 Cb 0.22 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 2rfl n TYR 88 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2rfl n ASN 89 N 0.10 -5.32 -4.79 2.98 5.15 -1.26 -4.87 115.26 107.25 2rfl n ASN 89 Ca 0.00 -0.74 -0.33 0.00 -0.60 0.00 0.00 54.58 52.91 2rfl n ASN 89 Cb 0.00 -2.16 0.03 0.00 -0.53 0.00 0.00 39.78 37.12 2rfl n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rfl s ALA 90 N -2.81 2.60 -0.75 5.20 0.00 -1.26 -4.92 121.76 119.82 2rfl s ALA 90 Ca 0.05 0.43 0.26 0.00 0.00 0.00 0.00 51.96 52.70 2rfl s ALA 90 Cb -0.01 -3.27 0.72 0.00 0.00 0.00 0.00 23.12 20.57 2rfl s ALA 90 CO 0.88 -1.08 1.65 2.89 0.00 0.00 0.00 175.76 180.10 2rfl n ARG 91 N -2.35 0.23 -3.19 0.00 1.85 -1.26 -4.85 116.66 107.08 2rfl n ARG 91 Ca 0.09 0.15 -0.39 0.00 -1.00 0.00 0.00 57.85 56.70 2rfl n ARG 91 Cb 0.53 -1.73 -0.06 0.00 -1.05 0.00 0.00 32.46 30.15 2rfl n ARG 91 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2rfl s SER 92 N -4.21 7.12 0.25 2.89 0.01 -1.26 -4.98 113.70 113.53 2rfl s SER 92 Ca 0.10 1.33 -0.05 0.00 1.31 0.00 0.00 55.95 58.64 2rfl s SER 92 Cb 0.14 -2.39 0.29 0.00 0.21 0.00 0.00 66.02 64.27 2rfl s SER 92 CO 0.63 0.23 1.92 -0.08 0.41 0.00 0.00 173.24 176.34 2rfl h GLU 93 N 4.69 1.28 -4.92 12.44 4.81 -1.98 -3.47 114.58 127.44 2rfl h GLU 93 Ca -0.48 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 58.36 2rfl h GLU 93 Cb 1.21 -0.29 -0.15 0.00 0.63 0.00 0.00 28.75 30.16 2rfl h GLU 93 CO 0.65 0.85 -0.68 0.99 -0.73 0.00 0.00 179.01 180.09 2rfl s THR 94 N -6.10 0.89 -1.82 0.32 2.01 -1.26 -4.45 115.64 105.23 2rfl s THR 94 Ca -0.13 -2.01 0.14 0.00 0.31 0.00 0.00 61.69 60.01 2rfl s THR 94 Cb 0.18 -2.04 0.45 0.00 0.01 0.00 0.00 72.50 71.10 2rfl s THR 94 CO 0.82 -0.56 1.36 -1.22 -0.69 0.00 0.00 174.62 174.32 2rfl n TYR 95 N -0.24 0.74 -0.29 4.92 4.01 -1.26 -4.74 117.16 120.30 2rfl n TYR 95 Ca -0.08 -0.35 0.04 0.00 -0.16 0.00 0.00 57.90 57.36 2rfl n TYR 95 Cb 0.62 -0.05 0.13 0.00 -0.31 0.00 0.00 39.34 39.74 2rfl n TYR 95 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2rfl h LEU 96 N 2.84 -0.66 -0.49 7.72 -0.00 -1.95 -2.37 115.31 120.40 2rfl h LEU 96 Ca 0.00 0.24 -0.08 0.00 -0.00 0.00 0.00 57.88 58.04 2rfl h LEU 96 Cb 0.75 0.48 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2rfl h LEU 96 CO 0.04 -0.26 -0.39 0.28 -0.00 0.00 0.00 178.44 178.11 2rfl h SER 97 N 0.02 0.00 -0.66 -0.43 0.02 -1.98 -1.38 113.55 109.13 2rfl h SER 97 Ca 0.41 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.40 2rfl h SER 97 Cb 0.67 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 2rfl h SER 97 CO -0.82 0.39 0.44 -0.07 -1.14 0.00 0.00 176.83 175.63 2rfl h LEU 98 N 0.00 0.67 0.34 5.07 3.38 -1.80 -1.81 115.31 121.16 2rfl h LEU 98 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2rfl h LEU 98 Cb 1.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2rfl h LEU 98 CO 0.05 0.46 -0.16 0.40 0.09 0.00 0.00 178.44 179.28 2rfl h ILE 99 N 0.78 0.01 -0.02 1.22 5.03 -1.29 -3.34 117.51 119.90 2rfl h ILE 99 Ca 0.27 -0.67 -0.03 0.00 -0.12 0.00 0.00 64.86 64.31 2rfl h ILE 99 Cb 0.09 0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 33.90 2rfl h ILE 99 CO -0.08 0.00 -0.11 0.00 -0.68 0.00 0.00 178.15 177.29 2rfl h ALA 100 N -1.11 1.78 0.00 1.87 0.00 -1.40 -0.99 119.26 119.40 2rfl h ALA 100 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2rfl h ALA 100 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2rfl h ALA 100 CO 0.08 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2rfl n ALA 101 N -2.51 1.75 -3.00 0.00 0.00 -0.69 -4.40 120.51 111.66 2rfl n ALA 101 Ca -0.02 -0.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.93 2rfl n ALA 101 Cb 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2rfl n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2rfl n GLN 102 N -1.57 3.69 0.00 0.00 1.13 -0.38 -4.83 117.38 115.42 2rfl n GLN 102 Ca 0.04 -4.15 0.15 0.00 -1.94 0.00 0.00 57.00 51.10 2rfl n GLN 102 Cb 0.20 -2.75 0.73 0.00 0.11 0.00 0.00 30.24 28.53 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 3.08 0.00 0.01 5.09 -2.24 -1.26 -2.70 114.28 116.27 2rfl n THR 103 Ca 0.31 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 62.02 2rfl n THR 103 Cb 0.38 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 2rfl n THR 103 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2rfl n GLU 104 N -0.75 0.94 -2.70 -0.78 0.00 -1.26 -4.19 120.64 111.90 2rfl n GLU 104 Ca 0.19 -0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.91 2rfl n GLU 104 Cb 0.23 -1.00 -0.03 0.00 0.00 0.00 0.00 31.44 30.64 2rfl n GLU 104 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2rfl s VAL 105 N -2.04 4.80 0.10 3.84 1.01 -1.10 -4.94 120.40 122.07 2rfl s VAL 105 Ca -0.01 2.03 -0.06 0.00 0.00 0.00 0.00 61.98 63.95 2rfl s VAL 105 Cb 0.02 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 2rfl s VAL 105 CO 0.10 0.17 1.21 -0.61 0.00 0.00 0.00 175.10 175.97 2rfl h GLN 106 N 6.70 0.39 -4.14 2.72 4.15 -1.95 -3.26 115.11 119.72 2rfl h GLN 106 Ca -0.41 -0.51 -0.28 0.00 0.77 0.00 0.00 58.65 58.21 2rfl h GLN 106 Cb 1.22 0.17 -0.27 0.00 0.21 0.00 0.00 27.48 28.80 2rfl h GLN 106 CO 0.75 1.19 -0.74 -1.54 -1.93 0.00 0.00 178.83 176.56 2rfl s SER 107 N -7.17 0.43 0.00 -0.69 1.04 -1.26 0.06 113.70 106.12 2rfl s SER 107 Ca -0.06 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2rfl s SER 107 Cb 0.08 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2rfl s SER 107 CO 0.88 0.00 0.00 0.55 0.98 0.00 0.00 173.24 175.66 2rfl n VAL 108 N 2.79 0.00 -3.68 5.02 3.14 -1.08 -1.58 118.33 122.96 2rfl n VAL 108 Ca -0.14 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.15 2rfl n VAL 108 Cb 0.58 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.27 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 -0.39 -0.44 6.55 1.43 -0.81 -1.70 118.68 123.33 2rfl s LEU 110 Ca 0.00 1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 54.09 2rfl s LEU 110 Cb 0.00 1.75 0.06 0.00 0.03 0.00 0.00 46.19 48.03 2rfl s LEU 110 CO 0.00 -0.21 0.33 -0.69 0.23 0.00 0.00 176.35 176.01 2rfl s VAL 111 N 1.39 4.94 0.00 -1.59 1.01 0.20 -0.88 120.40 125.47 2rfl s VAL 111 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2rfl s VAL 111 Cb -0.07 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2rfl s VAL 111 CO -0.14 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.10 2rfl n GLY 112 N 5.11 4.79 3.56 4.51 0.00 -1.05 -1.04 105.19 121.07 2rfl n GLY 112 Ca -0.12 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 0.41 2.50 0.46 1.61 3.76 -1.26 -3.09 115.29 119.67 2rfl s HIS 113 Ca 0.00 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 2rfl s HIS 113 Cb 0.00 -1.10 -0.06 0.00 1.11 0.00 0.00 32.58 32.53 2rfl s HIS 113 CO 0.00 0.67 0.84 -0.80 -0.85 0.00 0.00 174.74 174.59 2rfl s ASN 114 N -3.57 6.48 0.06 1.40 0.01 -1.26 -2.71 114.94 115.35 2rfl s ASN 114 Ca 0.30 1.21 0.21 0.00 -0.71 0.00 0.00 52.86 53.88 2rfl s ASN 114 Cb -0.06 -2.36 0.87 0.00 0.41 0.00 0.00 41.25 40.11 2rfl s ASN 114 CO 0.17 -0.50 1.67 -0.81 -1.51 0.00 0.00 177.10 176.12 2rfl n PRO 115 N -1.62 0.06 0.00 -0.60 -0.04 -1.26 -4.99 135.00 126.56 2rfl n PRO 115 Ca 0.03 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2rfl n PRO 115 Cb 0.54 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2rfl n PRO 115 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2rfl n THR 116 N -1.70 0.23 0.00 0.52 -1.04 -1.10 -1.26 114.28 109.94 2rfl n THR 116 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2rfl n THR 116 Cb 0.25 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 0.60 0.00 0.20 -2.82 2.13 -1.26 -0.22 120.64 119.27 2rfl n GLU 118 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 2rfl n GLU 118 Cb 0.16 0.00 0.43 0.00 0.27 0.00 0.00 31.44 32.29 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 1.21 -0.19 4.31 0.00 -1.47 -1.43 119.26 121.70 2rfl h ALA 119 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2rfl h ALA 119 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rfl h ALA 119 CO 0.00 0.41 -0.19 1.15 0.00 0.00 0.00 179.25 180.62 2rfl h THR 120 N 0.00 1.33 -0.09 0.00 2.02 -0.86 -2.79 112.91 112.52 2rfl h THR 120 Ca -0.00 -1.35 0.02 0.00 0.77 0.00 0.00 66.41 65.85 2rfl h THR 120 Cb 0.69 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2rfl h THR 120 CO 0.04 0.41 -0.04 0.25 0.37 0.00 0.00 175.52 176.55 2rfl h LEU 121 N 0.12 -0.15 -0.75 2.58 6.46 -1.74 -3.01 115.31 118.83 2rfl h LEU 121 Ca 0.03 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2rfl h LEU 121 Cb 0.73 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 2rfl h LEU 121 CO 0.05 -0.06 0.48 -0.08 -0.62 0.00 0.00 178.44 178.20 2rfl h GLU 122 N -0.04 0.91 -0.79 1.25 4.81 -1.23 -0.55 114.58 118.95 2rfl h GLU 122 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2rfl h GLU 122 Cb 0.11 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2rfl h GLU 122 CO -0.12 0.60 0.00 0.00 -0.73 0.00 0.00 179.01 178.77 2rfl n ALA 123 N -2.32 1.41 -0.05 2.92 0.00 -1.06 -0.48 120.51 120.93 2rfl n ALA 123 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.59 2rfl n ALA 123 Cb 0.08 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 0.60 0.00 0.00 0.00 -5.35 -0.21 -5.08 119.36 109.32 2rfl n ILE 125 Ca 0.00 0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 2rfl n ILE 125 Cb 0.06 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 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 -0.99 2.57 0.16 3.28 0.00 0.37 -4.68 105.19 105.89 2rfl n GLY 126 Ca 0.06 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.46 -0.91 1.61 4.11 -1.97 -0.76 114.58 117.13 2rfl h GLU 127 Ca 0.00 -0.25 0.10 0.00 0.07 0.00 0.00 59.36 59.28 2rfl h GLU 127 Cb 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 2rfl h GLU 127 CO 0.00 0.83 0.58 -0.44 0.07 0.00 0.00 179.01 180.05 2rfl h ASP 128 N 0.12 0.81 -0.05 3.06 3.32 -1.97 0.79 116.42 122.49 2rfl h ASP 128 Ca 0.03 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 2rfl h ASP 128 Cb 0.76 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2rfl h ASP 128 CO 0.05 0.48 -0.58 0.25 -1.72 0.00 0.00 179.24 177.71 2rfl h LEU 129 N 0.90 0.73 -0.40 1.55 7.12 -1.81 -2.15 115.31 121.25 2rfl h LEU 129 Ca 0.42 -0.40 -0.10 0.00 0.13 0.00 0.00 57.88 57.92 2rfl h LEU 129 Cb 0.42 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 2rfl h LEU 129 CO -0.18 1.15 -0.15 0.25 -0.13 0.00 0.00 178.44 179.38 2rfl h LEU 130 N 0.49 0.83 0.25 2.25 7.12 -0.51 -2.66 115.31 123.08 2rfl h LEU 130 Ca 0.00 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 57.63 2rfl h LEU 130 Cb 1.15 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.04 2rfl h LEU 130 CO 0.11 1.03 -0.22 0.45 -0.13 0.00 0.00 178.44 179.69 2rfl h HIS 131 N 0.63 -0.58 -0.01 1.25 3.86 0.59 -0.97 115.15 119.92 2rfl h HIS 131 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2rfl h HIS 131 Cb 0.69 0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 2rfl h HIS 131 CO 0.05 -0.33 0.00 0.00 0.86 0.00 0.00 177.93 178.52 2rfl h ALA 132 N 0.20 0.01 -0.37 2.45 0.00 -1.43 -2.97 119.26 117.15 2rfl h ALA 132 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2rfl h ALA 132 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2rfl h ALA 132 CO -0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 179.25 178.69 2rfl h ALA 133 N 0.82 0.51 -3.28 0.00 0.00 -1.55 -3.39 119.26 112.37 2rfl h ALA 133 Ca 0.00 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.93 2rfl h ALA 133 Cb 0.18 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.45 2rfl h ALA 133 CO -0.00 0.41 -0.54 -0.51 0.00 0.00 0.00 179.25 178.60 2rfl s LEU 134 N -9.20 4.62 0.09 0.00 1.43 -0.37 -4.97 118.68 110.28 2rfl s LEU 134 Ca -0.13 -3.12 -0.28 0.00 -1.03 0.00 0.00 54.13 49.57 2rfl s LEU 134 Cb 0.10 -1.70 -0.13 0.00 0.03 0.00 0.00 46.19 44.49 2rfl s LEU 134 CO 0.82 -0.24 1.66 -0.65 0.23 0.00 0.00 176.35 178.16 2rfl h PRO 135 N 6.44 -0.50 -0.73 1.29 0.11 -1.75 -3.15 132.00 133.71 2rfl h PRO 135 Ca -0.03 0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.61 2rfl h PRO 135 Cb 0.88 0.11 -0.34 0.00 0.11 0.00 0.00 31.00 31.77 2rfl h PRO 135 CO 0.70 -0.33 -0.28 -1.13 -0.21 0.00 0.00 178.00 176.75 2rfl n SER 136 N -5.35 5.14 0.00 -2.05 3.41 -1.26 -5.02 113.62 108.48 2rfl n SER 136 Ca -0.09 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 2rfl n SER 136 Cb 0.26 -0.55 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 -0.84 0.10 3.57 5.00 0.00 -1.19 -4.78 105.19 107.06 2rfl n GLY 137 Ca 0.46 -1.77 -0.49 0.00 0.00 0.00 0.00 46.02 44.22 2rfl n GLY 137 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2rfl n PHE 138 N 0.25 1.95 -2.25 1.61 -0.00 -1.26 -4.94 117.46 112.83 2rfl n PHE 138 Ca 0.00 0.11 -0.27 0.00 -0.00 0.00 0.00 57.45 57.29 2rfl n PHE 138 Cb 0.00 -2.62 0.05 0.00 -0.00 0.00 0.00 39.48 36.91 2rfl n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2rfl s PRO 139 N 5.40 2.61 0.33 -7.13 0.04 -1.26 -5.00 135.00 129.99 2rfl s PRO 139 Ca 1.02 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 2rfl s PRO 139 Cb -0.70 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 2rfl s PRO 139 CO 0.48 -0.97 1.43 0.95 0.04 0.00 0.00 177.00 178.93 2rfl s THR 140 N -3.14 2.36 0.00 1.26 -4.23 -1.26 -2.38 115.64 108.24 2rfl s THR 140 Ca 0.57 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2rfl s THR 140 Cb -0.11 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2rfl s THR 140 CO 0.46 0.08 0.00 -0.24 -0.54 0.00 0.00 174.62 174.37 2rfl n SER 141 N 1.03 -0.63 -4.73 3.99 2.88 0.40 -4.82 113.62 111.74 2rfl n SER 141 Ca 0.02 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.15 2rfl n SER 141 Cb 0.40 -0.93 -0.03 0.00 -0.75 0.00 0.00 64.21 62.90 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 -2.00 2.45 -0.19 0.46 0.00 -1.00 -4.77 107.32 102.27 2rfl s GLY 142 Ca 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 2rfl s GLY 142 CO 0.00 2.04 -0.15 -2.27 0.00 0.00 0.00 173.10 172.72 2rfl s LEU 143 N 0.13 2.40 -0.08 0.66 2.96 0.11 -2.27 118.68 122.59 2rfl s LEU 143 Ca 0.57 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 2rfl s LEU 143 Cb -0.35 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2rfl s LEU 143 CO 0.36 0.00 0.03 0.00 -1.32 0.00 0.00 176.35 175.42 2rfl s ALA 144 N 1.30 3.39 -0.19 5.97 0.00 0.70 -0.76 121.76 132.17 2rfl s ALA 144 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2rfl s ALA 144 Cb -0.14 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.48 2rfl s ALA 144 CO -0.09 0.60 -0.07 0.08 0.00 0.00 0.00 175.76 176.28 2rfl s VAL 145 N -0.93 1.40 -0.03 0.00 1.01 -0.78 -0.93 120.40 120.14 2rfl s VAL 145 Ca 0.14 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2rfl s VAL 145 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2rfl s VAL 145 CO 0.03 0.11 -0.25 -0.76 0.00 0.00 0.00 175.10 174.24 2rfl s LEU 146 N 1.49 2.05 0.17 3.92 1.02 -0.38 0.69 118.68 127.64 2rfl s LEU 146 Ca -0.01 -0.46 0.08 0.00 0.02 0.00 0.00 54.13 53.76 2rfl s LEU 146 Cb -0.16 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.71 2rfl s LEU 146 CO -0.08 0.28 -0.17 -1.81 0.02 0.00 0.00 176.35 174.59 2rfl s ASP 147 N -0.45 2.63 0.53 2.29 1.01 0.17 -1.31 116.67 121.55 2rfl s ASP 147 Ca 0.05 -0.89 -0.21 0.00 0.71 0.00 0.00 52.55 52.22 2rfl s ASP 147 Cb -0.11 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.62 2rfl s ASP 147 CO 0.00 -0.06 1.23 -1.10 0.21 0.00 0.00 175.17 175.45 2rfl s GLN 148 N -2.94 3.33 0.00 8.23 -0.21 -1.20 0.17 119.66 127.05 2rfl s GLN 148 Ca 0.17 1.91 0.00 0.00 0.02 0.00 0.00 55.36 57.46 2rfl s GLN 148 Cb -0.05 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.76 2rfl s GLN 148 CO 0.07 -0.94 0.00 -0.25 -2.12 0.00 0.00 175.29 172.04 2rfl n ASP 149 N -1.00 0.00 -3.80 5.90 9.92 -1.26 -4.84 116.55 121.46 2rfl n ASP 149 Ca 0.10 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.15 2rfl n ASP 149 Cb 0.48 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.79 2rfl n ASP 149 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2rfl s ASN 157 N -1.00 1.26 0.15 -2.24 3.84 -1.26 -5.07 114.94 110.63 2rfl s ASN 157 Ca 0.00 -0.08 -0.25 0.00 0.21 0.00 0.00 52.86 52.74 2rfl s ASN 157 Cb 0.00 -0.40 0.07 0.00 -0.55 0.00 0.00 41.25 40.37 2rfl s ASN 157 CO 0.00 -0.15 0.99 -0.60 -2.79 0.00 0.00 177.10 174.55 2rfl s ARG 158 N 1.60 1.17 0.25 0.43 3.52 -1.26 -5.17 118.95 119.49 2rfl s ARG 158 Ca -0.01 -0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 54.67 2rfl s ARG 158 Cb -0.13 0.39 -0.09 0.00 -1.56 0.00 0.00 34.95 33.56 2rfl s ARG 158 CO -0.03 -0.54 0.86 -1.58 -0.81 0.00 0.00 175.30 173.20 2rfl s TRP 159 N -3.08 3.79 -0.03 5.12 0.52 -1.26 -4.12 118.94 119.88 2rfl s TRP 159 Ca 0.14 1.70 0.01 0.00 0.02 0.00 0.00 56.10 57.97 2rfl s TRP 159 Cb -0.01 -2.84 0.02 0.00 -1.15 0.00 0.00 33.47 29.49 2rfl s TRP 159 CO 0.02 0.36 -0.02 0.50 0.02 0.00 0.00 176.95 177.83 2rfl s ARG 160 N -1.65 0.51 -0.22 4.98 3.52 0.13 -4.80 118.95 121.42 2rfl s ARG 160 Ca 0.44 -0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.74 2rfl s ARG 160 Cb -0.21 -0.61 0.00 0.00 -1.56 0.00 0.00 34.95 32.58 2rfl s ARG 160 CO 0.25 -0.09 0.98 -1.17 -0.81 0.00 0.00 175.30 174.46 2rfl s LEU 161 N 0.87 4.12 -0.00 -0.88 2.96 -1.26 -0.66 118.68 123.83 2rfl s LEU 161 Ca -0.10 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 2rfl s LEU 161 Cb -0.13 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2rfl s LEU 161 CO -0.01 -0.60 0.08 -0.38 -1.32 0.00 0.00 176.35 174.13 2rfl n ILE 162 N 5.19 0.00 -3.69 6.68 5.41 0.22 -4.98 119.36 128.18 2rfl n ILE 162 Ca 0.10 -0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.59 2rfl n ILE 162 Cb 0.47 0.58 -0.05 0.00 -0.71 0.00 0.00 39.64 39.93 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 -2.07 -0.20 -0.06 4.38 2.15 -1.11 -5.02 116.67 114.74 2rfl s ASP 163 Ca -0.01 -0.41 -0.02 0.00 0.43 0.00 0.00 52.55 52.54 2rfl s ASP 163 Cb 0.02 0.48 0.04 0.00 -0.30 0.00 0.00 42.92 43.16 2rfl s ASP 163 CO 0.12 -0.89 0.11 0.12 -0.17 0.00 0.00 175.17 174.47 2rfl s PHE 164 N -3.83 -0.08 -0.21 -5.34 2.19 -1.26 -1.86 117.98 107.59 2rfl s PHE 164 Ca 0.05 0.43 -0.08 0.00 0.33 0.00 0.00 56.93 57.67 2rfl s PHE 164 Cb 0.02 -0.29 -0.04 0.00 -1.31 0.00 0.00 43.02 41.39 2rfl s PHE 164 CO -0.09 -0.21 0.08 -0.51 1.83 0.00 0.00 175.22 176.32 2rfl s LEU 165 N 1.93 3.80 0.00 6.12 1.43 0.07 -4.94 118.68 127.09 2rfl s LEU 165 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2rfl s LEU 165 Cb -0.12 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2rfl s LEU 165 CO -0.05 0.11 0.47 0.00 0.23 0.00 0.00 176.35 177.12