#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2raq s LYS 4 N 0.00 0.62 5.04 0.00 0.00 -1.26 -3.98 119.74 120.16 2raq s LYS 4 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 55.97 55.51 2raq s LYS 4 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2raq s LYS 4 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.35 175.59 2raq n GLY 5 N 1.07 1.11 3.51 0.59 0.00 -1.26 -2.64 105.19 107.58 2raq n GLY 5 Ca -0.21 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2raq n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2raq s LEU 6 N 0.00 3.88 0.03 0.99 1.43 -1.26 -1.31 118.68 122.44 2raq s LEU 6 Ca 0.00 -1.19 0.21 0.00 -1.03 0.00 0.00 54.13 52.11 2raq s LEU 6 Cb 0.00 -2.50 -0.20 0.00 0.03 0.00 0.00 46.19 43.52 2raq s LEU 6 CO 0.00 -1.50 0.64 2.30 0.23 0.00 0.00 176.35 178.02 2raq n ILE 7 N 6.29 0.58 -3.79 -0.59 -5.35 0.30 -1.68 119.36 115.12 2raq n ILE 7 Ca 0.15 -0.60 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 2raq n ILE 7 Cb 0.49 -0.30 -0.13 0.00 -1.74 0.00 0.00 39.64 37.97 2raq n ILE 7 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2raq s ARG 8 N -3.22 0.18 -0.08 6.28 6.06 -0.39 -0.20 118.95 127.58 2raq s ARG 8 Ca -0.05 0.28 -0.04 0.00 -2.50 0.00 0.00 55.73 53.42 2raq s ARG 8 Cb 0.11 0.03 0.04 0.00 0.06 0.00 0.00 34.95 35.19 2raq s ARG 8 CO 0.85 -0.06 0.18 0.42 -2.50 0.00 0.00 175.30 174.19 2raq s ILE 9 N 0.39 -0.10 -0.13 4.11 1.01 0.21 -0.30 121.20 126.39 2raq s ILE 9 Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 2raq s ILE 9 Cb -0.04 -0.29 0.03 0.00 0.01 0.00 0.00 42.46 42.16 2raq s ILE 9 CO -0.02 0.09 -0.10 -0.69 0.00 0.00 0.00 174.94 174.22 2raq s VAL 10 N 1.44 1.27 0.00 2.92 1.01 0.12 -0.09 120.40 127.08 2raq s VAL 10 Ca -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2raq s VAL 10 Cb -0.11 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2raq s VAL 10 CO -0.07 0.38 0.03 -1.48 0.00 0.00 0.00 175.10 173.96 2raq s LEU 11 N 1.60 1.95 -0.20 3.92 0.05 -0.40 -0.93 118.68 124.67 2raq s LEU 11 Ca 0.04 -0.18 -0.14 0.00 0.05 0.00 0.00 54.13 53.90 2raq s LEU 11 Cb -0.13 0.21 -0.04 0.00 -2.05 0.00 0.00 46.19 44.17 2raq s LEU 11 CO -0.09 -0.18 0.30 1.51 -0.55 0.00 0.00 176.35 177.34 2raq s ASP 12 N -0.75 6.35 -0.02 1.48 -4.77 -0.74 -1.45 116.67 116.77 2raq s ASP 12 Ca -0.08 0.40 0.04 0.00 -3.30 0.00 0.00 52.55 49.61 2raq s ASP 12 Cb -0.05 -2.18 -0.01 0.00 -1.09 0.00 0.00 42.92 39.59 2raq s ASP 12 CO -0.00 0.01 -0.14 0.27 0.70 0.00 0.00 175.17 176.01 2raq s ILE 13 N 0.99 1.11 0.49 2.11 -0.00 -0.63 -1.90 121.20 123.38 2raq s ILE 13 Ca 0.15 -0.59 -0.19 0.00 -0.00 0.00 0.00 60.65 60.02 2raq s ILE 13 Cb -0.14 -0.94 -0.08 0.00 -0.00 0.00 0.00 42.46 41.30 2raq s ILE 13 CO 0.06 0.32 1.00 -0.22 -0.00 0.00 0.00 174.94 176.09 2raq s LEU 14 N -0.23 3.76 -0.06 0.37 2.96 -0.76 -1.92 118.68 122.81 2raq s LEU 14 Ca 0.03 1.74 -0.30 0.00 -0.22 0.00 0.00 54.13 55.39 2raq s LEU 14 Cb -0.06 -4.54 0.09 0.00 0.50 0.00 0.00 46.19 42.18 2raq s LEU 14 CO -0.00 -0.66 0.77 -0.75 -1.32 0.00 0.00 176.35 174.39 2raq s LYS 15 N -3.57 0.94 0.69 1.98 2.20 -0.38 -0.47 119.74 121.14 2raq s LYS 15 Ca 0.63 0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 56.25 2raq s LYS 15 Cb -0.12 0.44 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2raq s LYS 15 CO 0.23 -0.31 1.08 -2.14 -0.36 0.00 0.00 175.35 173.85 2raq s PRO 16 N -1.52 2.96 0.44 4.03 0.02 -1.25 -0.57 135.00 139.11 2raq s PRO 16 Ca -0.06 0.56 0.13 0.00 0.02 0.00 0.00 61.00 61.64 2raq s PRO 16 Cb -0.00 -2.02 0.73 0.00 0.02 0.00 0.00 34.50 33.22 2raq s PRO 16 CO 0.05 -0.98 1.32 0.45 -0.33 0.00 0.00 177.00 177.50 2raq h HIS 17 N -0.62 0.00 -3.98 6.54 3.86 -1.85 -3.41 115.15 115.69 2raq h HIS 17 Ca -0.45 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.07 2raq h HIS 17 Cb 1.24 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.48 2raq h HIS 17 CO 0.54 0.00 -0.77 -1.21 0.86 0.00 0.00 177.93 177.35 2raq s GLU 18 N -3.51 2.44 0.68 2.45 8.01 -1.26 -3.38 118.70 124.13 2raq s GLU 18 Ca -0.01 -0.74 -0.11 0.00 0.01 0.00 0.00 54.97 54.11 2raq s GLU 18 Cb 0.04 -2.36 -0.00 0.00 -4.31 0.00 0.00 34.13 27.50 2raq s GLU 18 CO 0.12 0.61 1.08 -1.25 0.01 0.00 0.00 175.26 175.83 2raq s PRO 19 N -0.91 3.06 0.08 0.39 0.04 -1.26 -4.88 135.00 131.52 2raq s PRO 19 Ca 0.13 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 2raq s PRO 19 Cb -0.11 -2.04 -0.16 0.00 0.04 0.00 0.00 34.50 32.23 2raq s PRO 19 CO 0.02 -0.91 0.71 1.51 0.04 0.00 0.00 177.00 178.37 2raq n ILE 20 N -2.94 0.84 -0.28 0.56 3.06 -1.22 -4.82 119.36 114.56 2raq n ILE 20 Ca 0.07 -0.21 0.17 0.00 -2.50 0.00 0.00 62.75 60.28 2raq n ILE 20 Cb 0.56 0.00 0.45 0.00 0.54 0.00 0.00 39.64 41.19 2raq n ILE 20 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 2raq h ILE 21 N 1.79 0.70 -0.27 9.51 2.10 -1.96 -1.85 117.51 127.52 2raq h ILE 21 Ca -0.35 -0.18 0.08 0.00 1.08 0.00 0.00 64.86 65.48 2raq h ILE 21 Cb 1.25 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 2raq h ILE 21 CO 0.53 0.10 0.19 1.55 -1.08 0.00 0.00 178.15 179.44 2raq h PRO 22 N 0.53 0.00 0.11 2.19 0.13 -2.00 -1.66 132.00 131.30 2raq h PRO 22 Ca 0.50 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.65 2raq h PRO 22 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2raq h PRO 22 CO -0.23 0.00 -0.31 0.93 -0.23 0.00 0.00 178.00 178.16 2raq h GLU 23 N 0.00 -0.51 -0.78 0.86 4.39 -1.66 0.42 114.58 117.31 2raq h GLU 23 Ca 0.13 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.90 2raq h GLU 23 Cb 0.51 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 2raq h GLU 23 CO -0.00 -0.34 0.51 1.88 -1.16 0.00 0.00 179.01 179.90 2raq h TYR 24 N -0.52 0.90 0.33 4.33 -1.99 -1.44 0.42 116.97 118.98 2raq h TYR 24 Ca 0.03 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2raq h TYR 24 Cb 0.56 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.99 2raq h TYR 24 CO -0.28 0.51 -0.16 0.00 -0.00 0.00 0.00 178.16 178.23 2raq h ALA 25 N 1.56 -0.44 -0.87 3.88 0.00 -1.36 -0.05 119.26 121.98 2raq h ALA 25 Ca 0.32 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.25 2raq h ALA 25 Cb 0.11 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.94 2raq h ALA 25 CO -0.10 -0.51 0.33 -0.22 0.00 0.00 0.00 179.25 178.76 2raq h LYS 26 N -0.91 0.34 0.00 0.00 1.63 0.10 -0.59 116.57 117.13 2raq h LYS 26 Ca -0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2raq h LYS 26 Cb 0.52 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2raq h LYS 26 CO 0.07 0.22 0.00 0.98 -3.45 0.00 0.00 179.45 177.28 2raq n TYR 27 N -5.09 0.00 0.14 1.91 4.19 0.14 -3.86 117.16 114.59 2raq n TYR 27 Ca 0.21 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.44 2raq n TYR 27 Cb 0.63 -0.27 0.13 0.00 0.49 0.00 0.00 39.34 40.32 2raq n TYR 27 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2raq n LEU 28 N -1.32 0.13 -0.06 2.98 4.77 -0.03 0.18 117.00 123.64 2raq n LEU 28 Ca 0.00 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 2raq n LEU 28 Cb 0.00 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2raq n LEU 28 CO 0.00 -0.39 0.91 0.77 -1.33 0.00 0.00 177.39 177.35 2raq h SER 29 N 0.00 0.28 0.28 -1.43 4.64 -1.21 -3.25 113.55 112.87 2raq h SER 29 Ca 0.00 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2raq h SER 29 Cb 1.07 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2raq h SER 29 CO 0.00 0.29 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.91 2raq h GLU 30 N 0.24 0.00 -6.95 4.77 4.39 0.18 -3.42 114.58 113.79 2raq h GLU 30 Ca 0.08 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.34 2raq h GLU 30 Cb 0.08 0.00 0.23 0.00 -0.10 0.00 0.00 28.75 28.96 2raq h GLU 30 CO -0.01 0.01 -0.41 1.28 -1.16 0.00 0.00 179.01 178.72 2raq n LEU 31 N -3.21 -2.09 -4.58 1.33 7.99 -1.23 -4.87 117.00 110.34 2raq n LEU 31 Ca -0.02 -0.20 -0.42 0.00 -0.01 0.00 0.00 56.01 55.36 2raq n LEU 31 Cb 0.15 -1.13 -0.03 0.00 -0.11 0.00 0.00 43.42 42.30 2raq n LEU 31 CO 0.23 -3.30 1.41 -0.60 -1.51 0.00 0.00 177.39 173.63 2raq s ARG 32 N -4.05 3.25 0.00 3.23 3.52 -1.26 -3.39 118.95 120.25 2raq s ARG 32 Ca 0.64 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 2raq s ARG 32 Cb -0.21 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 2raq s ARG 32 CO 0.66 -1.98 0.00 0.41 -0.81 0.00 0.00 175.30 173.58 2raq n GLY 33 N 5.36 0.62 3.64 8.12 0.00 -1.26 -4.38 105.19 117.29 2raq n GLY 33 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2raq n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2raq s VAL 34 N -2.43 3.86 0.00 1.61 1.01 -1.22 0.48 120.40 123.71 2raq s VAL 34 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2raq s VAL 34 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2raq s VAL 34 CO 0.00 -0.22 0.43 -0.62 0.00 0.00 0.00 175.10 174.69 2raq n GLU 35 N 7.24 0.00 -4.35 2.72 1.02 -0.75 -4.93 120.64 121.59 2raq n GLU 35 Ca 0.17 0.47 -0.19 0.00 -0.02 0.00 0.00 57.16 57.59 2raq n GLU 35 Cb 0.45 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.57 2raq n GLU 35 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2raq s GLY 36 N -1.50 1.44 -0.02 0.62 0.00 -1.16 -5.03 107.32 101.67 2raq s GLY 36 Ca 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.09 2raq s GLY 36 CO 0.00 -1.76 -0.10 0.54 0.00 0.00 0.00 173.10 171.79 2raq s VAL 37 N -2.92 0.82 -0.08 1.40 0.11 -1.26 -2.50 120.40 115.95 2raq s VAL 37 Ca 0.22 -0.41 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 2raq s VAL 37 Cb -0.01 -0.71 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2raq s VAL 37 CO 0.07 0.24 -0.22 0.21 -3.33 0.00 0.00 175.10 172.08 2raq s ASN 38 N -0.01 2.80 -0.22 3.54 3.84 0.10 -5.01 114.94 119.99 2raq s ASN 38 Ca 0.00 -0.49 0.00 0.00 0.21 0.00 0.00 52.86 52.58 2raq s ASN 38 Cb -0.07 -1.13 0.05 0.00 -0.55 0.00 0.00 41.25 39.56 2raq s ASN 38 CO 0.00 0.16 -0.06 -0.63 -2.79 0.00 0.00 177.10 173.78 2raq s ILE 39 N 0.25 1.45 0.03 -5.21 1.01 -1.26 0.89 121.20 118.36 2raq s ILE 39 Ca -0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 2raq s ILE 39 Cb -0.16 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2raq s ILE 39 CO 0.06 -0.03 0.19 0.42 0.00 0.00 0.00 174.94 175.58 2raq s THR 40 N 1.45 5.33 0.97 2.92 -4.23 -0.88 -4.97 115.64 116.23 2raq s THR 40 Ca -0.04 -0.31 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 2raq s THR 40 Cb -0.18 -3.55 0.17 0.00 1.34 0.00 0.00 72.50 70.29 2raq s THR 40 CO -0.07 0.23 1.14 -0.22 -0.54 0.00 0.00 174.62 175.16 2raq s LEU 41 N -2.22 1.80 0.50 4.79 0.20 -1.26 -1.78 118.68 120.71 2raq s LEU 41 Ca 0.31 0.90 -0.05 0.00 0.69 0.00 0.00 54.13 55.97 2raq s LEU 41 Cb -0.13 -3.09 -0.03 0.00 -0.43 0.00 0.00 46.19 42.51 2raq s LEU 41 CO 0.23 -2.89 0.81 -0.70 -0.29 0.00 0.00 176.35 173.50 2raq s GLU 43 N -5.29 3.46 -0.15 1.98 2.12 -1.17 -4.88 118.70 114.77 2raq s GLU 43 Ca 0.66 0.18 -0.04 0.00 0.36 0.00 0.00 54.97 56.13 2raq s GLU 43 Cb -0.14 -2.36 0.07 0.00 0.26 0.00 0.00 34.13 31.97 2raq s GLU 43 CO 0.54 -0.28 0.22 -1.50 -0.54 0.00 0.00 175.26 173.70 2raq s ILE 44 N -2.78 -0.33 0.60 -3.70 2.07 -1.26 -2.37 121.20 113.43 2raq s ILE 44 Ca 0.48 0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.87 2raq s ILE 44 Cb -0.10 -0.52 0.08 0.00 0.13 0.00 0.00 42.46 42.05 2raq s ILE 44 CO 0.45 -0.03 0.83 -1.81 -1.91 0.00 0.00 174.94 172.47 2raq s ASP 45 N 2.34 4.93 0.35 4.50 1.11 -0.72 -5.01 116.67 124.18 2raq s ASP 45 Ca 0.04 -0.47 0.04 0.00 0.18 0.00 0.00 52.55 52.34 2raq s ASP 45 Cb -0.14 -0.14 0.65 0.00 1.07 0.00 0.00 42.92 44.37 2raq s ASP 45 CO -0.10 -1.42 1.94 0.07 1.18 0.00 0.00 175.17 176.84 2raq h LYS 46 N -0.03 0.61 -0.00 8.23 2.10 -2.03 -3.17 116.57 122.27 2raq h LYS 46 Ca -0.36 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2raq h LYS 46 Cb 1.28 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2raq h LYS 46 CO 0.43 0.52 -0.36 0.39 -2.00 0.00 0.00 179.45 178.43 2raq n GLU 47 N -4.35 3.30 -2.24 0.07 -0.58 -1.26 -5.02 120.64 110.56 2raq n GLU 47 Ca 0.03 -0.20 0.01 0.00 -0.42 0.00 0.00 57.16 56.57 2raq n GLU 47 Cb 0.16 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 2raq n GLU 47 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2raq n THR 48 N -0.90 0.00 -3.54 2.62 5.66 -1.20 -4.52 114.28 112.40 2raq n THR 48 Ca 0.03 -0.03 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2raq n THR 48 Cb 0.17 0.11 -0.05 0.00 -1.55 0.00 0.00 70.33 69.00 2raq n THR 48 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2raq s GLU 49 N -2.00 0.43 0.00 1.09 2.12 0.26 -1.76 118.70 118.85 2raq s GLU 49 Ca 0.05 0.98 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 2raq s GLU 49 Cb -0.00 0.48 -0.06 0.00 0.26 0.00 0.00 34.13 34.81 2raq s GLU 49 CO -0.00 -0.13 0.53 1.21 -0.54 0.00 0.00 175.26 176.33 2raq s ASN 50 N 2.32 6.92 -0.02 -1.70 3.84 -1.00 -1.25 114.94 124.05 2raq s ASN 50 Ca -0.05 1.09 -0.08 0.00 0.21 0.00 0.00 52.86 54.03 2raq s ASN 50 Cb -0.07 -2.33 0.01 0.00 -0.55 0.00 0.00 41.25 38.31 2raq s ASN 50 CO -0.18 0.19 0.17 0.27 -2.79 0.00 0.00 177.10 174.76 2raq s ILE 51 N -0.53 0.05 0.21 -5.21 -0.00 -0.81 -3.04 121.20 111.88 2raq s ILE 51 Ca 0.28 -0.44 -0.06 0.00 -0.00 0.00 0.00 60.65 60.43 2raq s ILE 51 Cb -0.18 -0.39 -0.06 0.00 -0.00 0.00 0.00 42.46 41.83 2raq s ILE 51 CO 0.16 -0.24 0.48 -0.75 -0.00 0.00 0.00 174.94 174.58 2raq s LYS 52 N -0.87 3.67 -0.26 0.37 2.20 -0.73 -1.60 119.74 122.50 2raq s LYS 52 Ca -0.10 0.02 -0.03 0.00 -0.36 0.00 0.00 55.97 55.51 2raq s LYS 52 Cb -0.05 -2.73 0.11 0.00 -1.51 0.00 0.00 37.83 33.64 2raq s LYS 52 CO 0.01 0.35 0.21 0.08 -0.36 0.00 0.00 175.35 175.64 2raq s VAL 53 N -1.84 -0.26 -0.21 4.02 1.01 -0.53 -2.08 120.40 120.52 2raq s VAL 53 Ca 0.43 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 2raq s VAL 53 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2raq s VAL 53 CO 0.25 -0.48 0.28 -0.89 0.00 0.00 0.00 175.10 174.25 2raq s THR 54 N 2.25 5.29 -0.05 3.92 2.01 0.26 -1.28 115.64 128.04 2raq s THR 54 Ca 0.08 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.56 2raq s THR 54 Cb -0.15 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2raq s THR 54 CO -0.28 0.32 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.34 2raq s ILE 55 N 1.04 1.08 0.03 1.82 2.07 0.88 0.03 121.20 128.15 2raq s ILE 55 Ca 0.14 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 58.96 2raq s ILE 55 Cb -0.14 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 2raq s ILE 55 CO 0.05 0.34 -0.18 -1.58 -1.91 0.00 0.00 174.94 171.66 2raq s GLN 56 N 0.47 1.29 0.00 3.50 0.74 -1.04 0.67 119.66 125.28 2raq s GLN 56 Ca -0.10 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.48 2raq s GLN 56 Cb -0.13 -1.35 0.00 0.00 1.10 0.00 0.00 33.01 32.63 2raq s GLN 56 CO 0.03 0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.52 2raq n GLY 57 N 2.03 -0.79 3.56 2.59 0.00 0.73 -1.80 105.19 111.50 2raq n GLY 57 Ca -0.17 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 2raq n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2raq s ASN 58 N -4.00 4.56 -0.57 1.61 3.04 0.18 -4.17 114.94 115.58 2raq s ASN 58 Ca 0.00 -0.06 -0.15 0.00 0.04 0.00 0.00 52.86 52.69 2raq s ASN 58 Cb 0.00 -1.19 0.02 0.00 -1.54 0.00 0.00 41.25 38.54 2raq s ASN 58 CO 0.00 0.34 0.29 -0.67 -3.04 0.00 0.00 177.10 174.02 2raq n ASP 59 N 2.37 -1.70 -4.76 -4.21 4.64 -1.08 -4.48 116.55 107.32 2raq n ASP 59 Ca -0.18 -0.61 -0.41 0.00 -1.38 0.00 0.00 54.79 52.21 2raq n ASP 59 Cb 0.53 -0.73 -0.01 0.00 -1.04 0.00 0.00 41.12 39.86 2raq n ASP 59 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2raq s LEU 60 N -6.08 4.37 -0.26 -2.67 1.43 -0.68 -4.84 118.68 109.96 2raq s LEU 60 Ca 0.21 2.84 -0.19 0.00 -1.03 0.00 0.00 54.13 55.96 2raq s LEU 60 Cb -0.12 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2raq s LEU 60 CO 0.45 -0.75 0.55 -0.62 0.23 0.00 0.00 176.35 176.21 2raq s ASP 61 N 0.02 6.47 0.62 2.29 -1.08 -1.26 -4.43 116.67 119.31 2raq s ASP 61 Ca 0.55 0.56 0.37 0.00 -0.52 0.00 0.00 52.55 53.52 2raq s ASP 61 Cb -0.44 -2.30 2.10 0.00 -1.46 0.00 0.00 42.92 40.83 2raq s ASP 61 CO 0.52 -0.32 2.30 0.15 0.52 0.00 0.00 175.17 178.34 2raq h PHE 62 N 7.99 0.00 0.06 -5.34 3.57 -1.97 -2.98 116.94 118.28 2raq h PHE 62 Ca -0.28 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.87 2raq h PHE 62 Cb 1.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 2raq h PHE 62 CO 0.76 0.01 -2.05 -0.25 -2.23 0.00 0.00 178.31 174.55 2raq n ASP 63 N -3.42 1.61 0.08 0.41 10.43 -1.26 -3.04 116.55 121.36 2raq n ASP 63 Ca -0.03 0.18 -0.13 0.00 2.57 0.00 0.00 54.79 57.39 2raq n ASP 63 Cb 0.09 -0.43 -0.06 0.00 1.84 0.00 0.00 41.12 42.57 2raq n ASP 63 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2raq h GLU 64 N 0.04 -0.50 -0.13 -1.24 5.08 -1.95 -1.29 114.58 114.59 2raq h GLU 64 Ca -0.43 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2raq h GLU 64 Cb 2.03 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 31.33 2raq h GLU 64 CO 0.05 -0.33 -0.27 0.82 -1.00 0.00 0.00 179.01 178.28 2raq h ILE 65 N -0.51 0.36 -0.38 3.13 1.08 -1.64 0.28 117.51 119.84 2raq h ILE 65 Ca 0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2raq h ILE 65 Cb 0.58 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2raq h ILE 65 CO -0.25 0.00 0.18 0.00 -0.69 0.00 0.00 178.15 177.39 2raq h THR 66 N -0.34 1.17 -0.14 -0.27 1.03 -1.48 -1.11 112.91 111.77 2raq h THR 66 Ca 0.10 -0.49 0.05 0.00 -0.01 0.00 0.00 66.41 66.05 2raq h THR 66 Cb 0.49 0.80 -0.05 0.00 -1.07 0.00 0.00 68.15 68.33 2raq h THR 66 CO -0.33 0.18 -0.19 0.03 -0.01 0.00 0.00 175.52 175.21 2raq h ARG 67 N 0.47 -0.23 -0.84 0.00 3.08 -0.84 -0.92 114.38 115.09 2raq h ARG 67 Ca 0.13 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.33 2raq h ARG 67 Cb 0.13 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.09 2raq h ARG 67 CO -0.02 -0.15 -0.38 0.00 -1.07 0.00 0.00 179.97 178.35 2raq h ALA 68 N 0.78 0.05 -0.29 0.04 0.00 0.04 0.12 119.26 120.00 2raq h ALA 68 Ca 0.10 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2raq h ALA 68 Cb 0.39 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2raq h ALA 68 CO -0.28 -0.66 -0.25 0.82 0.00 0.00 0.00 179.25 178.89 2raq h ILE 69 N -0.07 1.27 -0.10 0.00 2.04 -0.58 -2.95 117.51 117.12 2raq h ILE 69 Ca 0.30 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 2raq h ILE 69 Cb 0.58 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2raq h ILE 69 CO -0.87 0.42 0.02 -0.33 0.00 0.00 0.00 178.15 177.39 2raq h GLU 70 N 0.50 0.17 0.00 2.37 5.08 -0.20 -2.21 114.58 120.29 2raq h GLU 70 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2raq h GLU 70 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2raq h GLU 70 CO 0.05 0.36 0.00 -1.13 -1.00 0.00 0.00 179.01 177.29 2raq n SER 71 N -4.86 0.00 -0.00 1.42 3.41 0.31 0.70 113.62 114.59 2raq n SER 71 Ca -0.06 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 58.95 2raq n SER 71 Cb 0.16 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 2raq n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2raq n TYR 72 N -1.35 0.00 -0.48 7.33 4.02 -0.86 -5.02 117.16 120.81 2raq n TYR 72 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2raq n TYR 72 Cb 0.02 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 2raq n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2raq n GLY 73 N 1.43 0.98 3.10 2.72 0.00 0.22 -4.49 105.19 109.15 2raq n GLY 73 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2raq n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2raq s GLY 74 N -2.17 0.57 0.04 -0.02 0.00 -1.15 -3.86 107.32 100.74 2raq s GLY 74 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 44.72 43.81 2raq s GLY 74 CO 0.00 -1.08 -0.25 -1.35 0.00 0.00 0.00 173.10 170.42 2raq s SER 75 N -2.22 3.30 -0.89 1.64 1.04 0.39 -3.84 113.70 113.12 2raq s SER 75 Ca -0.01 -0.56 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 2raq s SER 75 Cb -0.03 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2raq s SER 75 CO -0.03 0.26 1.88 -0.63 0.98 0.00 0.00 173.24 175.70 2raq s ILE 76 N -0.83 3.50 0.34 -1.02 1.09 -1.26 -1.82 121.20 121.19 2raq s ILE 76 Ca 0.12 -0.36 0.08 0.00 -1.10 0.00 0.00 60.65 59.39 2raq s ILE 76 Cb -0.10 -4.12 0.32 0.00 -1.06 0.00 0.00 42.46 37.49 2raq s ILE 76 CO 0.03 -1.06 1.86 0.45 -0.10 0.00 0.00 174.94 176.12 2raq h HIS 77 N 11.39 0.87 -1.39 3.97 3.86 -1.74 -3.46 115.15 128.65 2raq h HIS 77 Ca 0.08 0.03 0.25 0.00 -1.16 0.00 0.00 60.37 59.57 2raq h HIS 77 Cb 1.02 -0.27 -0.20 0.00 1.06 0.00 0.00 27.41 29.01 2raq h HIS 77 CO 1.21 0.32 0.83 -1.54 0.86 0.00 0.00 177.93 179.61 2raq s SER 78 N -5.75 -0.12 -0.42 2.45 1.04 -1.05 -5.01 113.70 104.84 2raq s SER 78 Ca -0.10 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 2raq s SER 78 Cb 0.22 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.50 2raq s SER 78 CO 0.79 -0.19 0.30 -0.69 0.98 0.00 0.00 173.24 174.43 2raq s VAL 79 N -2.17 5.13 -0.04 5.02 1.01 -1.26 -1.79 120.40 126.29 2raq s VAL 79 Ca 0.09 -0.79 0.13 0.00 0.00 0.00 0.00 61.98 61.41 2raq s VAL 79 Cb -0.01 -3.91 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 2raq s VAL 79 CO -0.04 -0.36 0.83 0.44 0.00 0.00 0.00 175.10 175.97 2raq h ASP 80 N 8.62 0.00 -3.62 3.32 3.32 -1.41 -3.47 116.42 123.17 2raq h ASP 80 Ca -0.27 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.89 2raq h ASP 80 Cb 1.11 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.41 2raq h ASP 80 CO 0.75 0.87 0.62 -0.70 -1.72 0.00 0.00 179.24 179.06 2raq s GLU 81 N -2.71 0.45 -0.09 3.56 2.12 -1.15 -5.01 118.70 115.87 2raq s GLU 81 Ca -0.03 0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.47 2raq s GLU 81 Cb 0.08 0.21 0.04 0.00 0.26 0.00 0.00 34.13 34.73 2raq s GLU 81 CO 0.82 -0.12 0.20 0.08 -0.54 0.00 0.00 175.26 175.70 2raq s VAL 82 N -0.73 -0.04 -0.12 3.70 1.01 -1.26 0.14 120.40 123.10 2raq s VAL 82 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2raq s VAL 82 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2raq s VAL 82 CO -0.03 0.06 -0.23 -0.69 0.00 0.00 0.00 175.10 174.21 2raq s VAL 83 N 1.08 2.08 0.05 2.92 1.01 0.59 -4.97 120.40 123.16 2raq s VAL 83 Ca -0.08 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2raq s VAL 83 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2raq s VAL 83 CO -0.06 0.55 -0.07 0.00 0.00 0.00 0.00 175.10 175.52 2raq s ALA 84 N 0.55 0.57 0.00 5.51 0.00 -1.26 -0.54 121.76 126.60 2raq s ALA 84 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2raq s ALA 84 Cb -0.17 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2raq s ALA 84 CO 0.04 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2raq n GLY 85 N 1.25 -0.41 0.10 0.00 0.00 -0.43 -4.82 105.19 100.89 2raq n GLY 85 Ca -0.21 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.46 2raq n GLY 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2raq h ARG 86 N 3.73 0.19 0.00 1.61 2.43 -1.89 -3.36 114.38 117.09 2raq h ARG 86 Ca 0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2raq h ARG 86 Cb 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2raq h ARG 86 CO 0.00 1.07 0.00 -2.37 -1.51 0.00 0.00 179.97 177.16 2raq n THR 87 N -3.42 0.00 -3.64 0.20 5.66 -1.26 -4.56 114.28 107.25 2raq n THR 87 Ca -0.11 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.85 2raq n THR 87 Cb 1.02 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.73 2raq n THR 87 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2raq s VAL 89 N 1.42 0.00 0.23 1.08 1.01 -1.26 -4.91 120.40 117.97 2raq s VAL 89 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2raq s VAL 89 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2raq s VAL 89 CO 0.00 0.00 0.33 -1.61 0.00 0.00 0.00 175.10 173.82 2raq s GLU 90 N 1.25 3.37 -0.02 2.72 0.41 -1.26 -4.93 118.70 120.25 2raq s GLU 90 Ca -0.08 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 53.41 2raq s GLU 90 Cb -0.04 -2.86 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 2raq s GLU 90 CO -0.15 0.44 1.27 -2.00 -0.49 0.00 0.00 175.26 174.33 2raq s GLU 91 N -3.85 4.34 -0.23 1.61 2.12 -1.26 -5.01 118.70 116.42 2raq s GLU 91 Ca 0.34 1.79 -0.18 0.00 0.36 0.00 0.00 54.97 57.28 2raq s GLU 91 Cb -0.09 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 2raq s GLU 91 CO 0.28 -0.47 0.49 0.14 -0.54 0.00 0.00 175.26 175.17 2raq s VAL 92 N 2.11 5.11 0.28 3.70 -7.23 -1.26 -5.05 120.40 118.06 2raq s VAL 92 Ca 0.59 0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 61.43 2raq s VAL 92 Cb -0.28 -3.81 -0.09 0.00 0.56 0.00 0.00 36.38 32.77 2raq s VAL 92 CO 0.24 0.15 0.76 0.42 -0.31 0.00 0.00 175.10 176.36 2raq s THR 93 N 1.90 4.57 0.14 5.32 -4.23 -1.26 -5.06 115.64 117.02 2raq s THR 93 Ca 0.21 1.22 -0.18 0.00 -1.18 0.00 0.00 61.69 61.77 2raq s THR 93 Cb -0.15 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 69.96 2raq s THR 93 CO 0.09 0.02 0.45 0.28 -0.54 0.00 0.00 174.62 174.93 2raq s THR 94 N -1.74 0.05 -2.00 3.99 -1.32 -1.26 -5.34 115.64 108.02 2raq s THR 94 Ca 0.49 -0.47 0.07 0.00 -1.21 0.00 0.00 61.69 60.57 2raq s THR 94 Cb -0.14 -1.17 0.21 0.00 -1.51 0.00 0.00 72.50 69.89 2raq s THR 94 CO 0.19 -0.23 0.90 -2.65 -2.21 0.00 0.00 174.62 170.63