#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2raq s ALA 3 N 0.00 3.50 0.21 3.52 0.00 -1.26 -5.05 121.76 122.68 2raq s ALA 3 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2raq s ALA 3 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 2raq s ALA 3 CO 0.00 0.55 0.02 -1.59 0.00 0.00 0.00 175.76 174.74 2raq s LYS 4 N -2.91 1.26 2.74 0.00 -2.85 -1.25 -3.46 119.74 113.26 2raq s LYS 4 Ca 0.30 -1.63 0.00 0.00 -1.00 0.00 0.00 55.97 53.64 2raq s LYS 4 Cb -0.10 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.25 2raq s LYS 4 CO 0.22 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.94 2raq n GLY 5 N -0.35 -0.35 3.74 0.59 0.00 -1.26 -1.18 105.19 106.37 2raq n GLY 5 Ca -0.05 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 4.37 0.00 0.99 1.43 -1.26 -0.33 118.68 123.89 2raq s LEU 6 Ca 0.00 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2raq s LEU 6 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2raq s LEU 6 CO 0.00 -0.77 0.00 2.30 0.23 0.00 0.00 176.35 178.11 2raq n ILE 7 N 2.83 0.00 -4.01 -0.59 -5.35 0.17 -2.26 119.36 110.15 2raq n ILE 7 Ca 0.09 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.44 2raq n ILE 7 Cb 0.39 -0.74 -0.13 0.00 -1.74 0.00 0.00 39.64 37.42 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 -1.74 0.26 0.00 6.28 3.52 -0.94 0.79 118.95 127.12 2raq s ARG 8 Ca 0.00 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2raq s ARG 8 Cb 0.00 -0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2raq s ARG 8 CO 0.00 0.04 -0.04 0.42 -0.81 0.00 0.00 175.30 174.91 2raq s ILE 9 N -0.43 0.30 -0.13 4.11 1.01 0.38 -1.12 121.20 125.32 2raq s ILE 9 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2raq s ILE 9 Cb -0.03 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.19 2raq s ILE 9 CO -0.00 -0.01 -0.06 -0.69 0.00 0.00 0.00 174.94 174.19 2raq s VAL 10 N -0.31 0.99 0.01 2.92 1.01 0.37 0.53 120.40 125.92 2raq s VAL 10 Ca -0.01 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2raq s VAL 10 Cb -0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2raq s VAL 10 CO -0.00 0.24 -0.21 -0.76 0.00 0.00 0.00 175.10 174.37 2raq s LEU 11 N 1.71 2.10 -0.18 3.92 1.02 -0.63 0.89 118.68 127.50 2raq s LEU 11 Ca 0.03 -0.45 -0.09 0.00 0.02 0.00 0.00 54.13 53.64 2raq s LEU 11 Cb -0.14 -1.05 -0.05 0.00 0.02 0.00 0.00 46.19 44.98 2raq s LEU 11 CO -0.08 0.22 0.11 1.51 0.02 0.00 0.00 176.35 178.13 2raq s ASP 12 N -0.83 6.09 0.05 2.29 -4.77 0.12 -1.82 116.67 117.79 2raq s ASP 12 Ca 0.08 0.23 0.05 0.00 -3.30 0.00 0.00 52.55 49.61 2raq s ASP 12 Cb -0.08 -2.05 -0.02 0.00 -1.09 0.00 0.00 42.92 39.68 2raq s ASP 12 CO 0.00 0.21 -0.15 0.27 0.70 0.00 0.00 175.17 176.20 2raq s ILE 13 N 0.14 1.23 0.32 2.11 -0.00 -0.97 -0.08 121.20 123.95 2raq s ILE 13 Ca 0.08 -1.09 -0.24 0.00 -0.00 0.00 0.00 60.65 59.40 2raq s ILE 13 Cb -0.11 -1.11 -0.10 0.00 -0.00 0.00 0.00 42.46 41.14 2raq s ILE 13 CO -0.01 0.01 0.91 -0.22 -0.00 0.00 0.00 174.94 175.63 2raq s LEU 14 N -1.24 4.30 -0.23 0.37 2.96 -0.49 -1.86 118.68 122.49 2raq s LEU 14 Ca 0.02 1.75 -0.07 0.00 -0.22 0.00 0.00 54.13 55.61 2raq s LEU 14 Cb -0.08 -3.99 0.11 0.00 0.50 0.00 0.00 46.19 42.72 2raq s LEU 14 CO 0.02 -0.08 0.49 -0.75 -1.32 0.00 0.00 176.35 174.70 2raq s LYS 15 N -2.15 0.40 0.18 1.98 2.20 -0.67 -2.10 119.74 119.58 2raq s LYS 15 Ca 0.50 1.13 -0.31 0.00 -0.36 0.00 0.00 55.97 56.93 2raq s LYS 15 Cb -0.17 0.45 -0.16 0.00 -1.51 0.00 0.00 37.83 36.44 2raq s LYS 15 CO 0.22 -0.27 0.94 -2.30 -0.36 0.00 0.00 175.35 173.58 2raq n PRO 16 N 5.41 0.73 0.02 4.03 -0.02 -1.26 -3.21 135.00 140.69 2raq n PRO 16 Ca -0.09 0.26 0.22 0.00 -2.02 0.00 0.00 63.50 61.86 2raq n PRO 16 Cb 0.49 -1.59 0.61 0.00 -0.02 0.00 0.00 33.50 33.00 2raq n PRO 16 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2raq h HIS 17 N 2.36 0.00 -4.53 6.00 3.86 -1.82 -3.37 115.15 117.64 2raq h HIS 17 Ca -0.39 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.16 2raq h HIS 17 Cb 1.38 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.55 2raq h HIS 17 CO 0.50 0.00 -0.88 -2.00 0.86 0.00 0.00 177.93 176.41 2raq s GLU 18 N -4.47 1.92 0.52 2.45 2.56 -1.26 -3.20 118.70 117.22 2raq s GLU 18 Ca -0.03 -0.85 -0.20 0.00 0.00 0.00 0.00 54.97 53.88 2raq s GLU 18 Cb 0.14 -1.86 -0.07 0.00 2.00 0.00 0.00 34.13 34.34 2raq s GLU 18 CO 0.47 0.51 1.11 -2.14 -0.56 0.00 0.00 175.26 174.65 2raq s PRO 19 N -0.57 3.51 1.02 4.30 0.02 -1.26 -4.93 135.00 137.09 2raq s PRO 19 Ca 0.09 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 2raq s PRO 19 Cb -0.09 -2.08 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 2raq s PRO 19 CO -0.01 -0.72 -0.51 1.51 -0.33 0.00 0.00 177.00 176.95 2raq n ILE 20 N -1.11 0.00 0.09 2.83 3.06 -1.19 -4.88 119.36 118.16 2raq n ILE 20 Ca 0.11 -0.26 -0.21 0.00 -2.50 0.00 0.00 62.75 59.89 2raq n ILE 20 Cb 0.51 -0.29 -0.12 0.00 0.54 0.00 0.00 39.64 40.27 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 -1.38 1.31 0.00 9.51 2.10 -1.97 -3.14 117.51 123.93 2raq h ILE 21 Ca -0.45 -2.50 0.00 0.00 1.08 0.00 0.00 64.86 62.99 2raq h ILE 21 Cb 1.33 2.68 0.00 0.00 -1.09 0.00 0.00 36.82 39.74 2raq h ILE 21 CO 0.29 0.76 0.00 -0.65 -1.08 0.00 0.00 178.15 177.47 2raq h PRO 22 N 0.26 0.00 0.00 2.19 0.11 -1.99 -2.07 132.00 130.50 2raq h PRO 22 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2raq h PRO 22 Cb 1.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.00 2raq h PRO 22 CO 0.23 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.41 2raq n GLU 23 N -2.82 0.00 -0.17 1.05 -0.58 -1.19 -2.16 120.64 114.76 2raq n GLU 23 Ca -0.03 0.13 0.05 0.00 -0.42 0.00 0.00 57.16 56.89 2raq n GLU 23 Cb 0.06 -0.90 0.10 0.00 -0.57 0.00 0.00 31.44 30.13 2raq n GLU 23 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2raq n TYR 24 N -0.53 0.24 -0.03 -0.32 4.02 -0.82 -0.41 117.16 119.30 2raq n TYR 24 Ca 0.00 0.59 -0.12 0.00 -0.01 0.00 0.00 57.90 58.36 2raq n TYR 24 Cb 0.00 -0.82 -0.06 0.00 -0.02 0.00 0.00 39.34 38.44 2raq n TYR 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2raq h ALA 25 N 0.97 0.16 0.55 -0.72 0.00 -1.40 0.35 119.26 119.17 2raq h ALA 25 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2raq h ALA 25 Cb 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2raq h ALA 25 CO -0.48 -0.21 -0.35 -0.22 0.00 0.00 0.00 179.25 178.00 2raq h LYS 26 N -0.01 -0.82 0.00 0.00 1.63 -0.22 -0.09 116.57 117.06 2raq h LYS 26 Ca 0.04 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2raq h LYS 26 Cb 0.26 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2raq h LYS 26 CO 0.00 -0.54 0.00 0.98 -3.45 0.00 0.00 179.45 176.44 2raq n TYR 27 N -4.56 0.00 -0.33 1.91 4.19 -0.70 -1.14 117.16 116.53 2raq n TYR 27 Ca -0.10 0.00 0.24 0.00 3.31 0.00 0.00 57.90 61.34 2raq n TYR 27 Cb 0.35 -0.12 0.47 0.00 0.49 0.00 0.00 39.34 40.53 2raq n TYR 27 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2raq h LEU 28 N 0.00 0.50 -0.70 2.98 3.38 -0.41 -0.66 115.31 120.40 2raq h LEU 28 Ca 0.00 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2raq h LEU 28 Cb 0.00 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 2raq h LEU 28 CO 0.00 -0.14 -0.39 -1.28 0.09 0.00 0.00 178.44 176.73 2raq h SER 29 N 0.32 -1.37 -0.31 -0.43 0.87 0.57 -1.68 113.55 111.52 2raq h SER 29 Ca 0.73 0.26 -0.69 0.00 -1.23 0.00 0.00 61.79 60.85 2raq h SER 29 Cb 1.66 0.67 -0.02 0.00 -0.44 0.00 0.00 62.40 64.27 2raq h SER 29 CO -0.61 -0.31 3.41 -1.84 -0.53 0.00 0.00 176.83 176.96 2raq n GLU 30 N -5.43 3.84 -3.59 2.24 0.00 -0.25 -4.59 120.64 112.86 2raq n GLU 30 Ca 0.05 -2.57 -0.24 0.00 0.00 0.00 0.00 57.16 54.40 2raq n GLU 30 Cb 0.36 -2.81 0.02 0.00 0.00 0.00 0.00 31.44 29.02 2raq n GLU 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2raq s LEU 31 N -0.21 2.80 -0.32 -1.84 1.43 -0.64 -5.04 118.68 114.87 2raq s LEU 31 Ca 0.63 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 2raq s LEU 31 Cb 0.18 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 2raq s LEU 31 CO -0.07 -1.23 2.21 -0.60 0.23 0.00 0.00 176.35 176.89 2raq s ARG 32 N -4.44 2.85 -0.77 1.70 3.52 -1.26 -3.51 118.95 117.04 2raq s ARG 32 Ca 0.43 1.74 -0.04 0.00 -0.13 0.00 0.00 55.73 57.73 2raq s ARG 32 Cb -0.03 -4.41 -0.05 0.00 -1.56 0.00 0.00 34.95 28.89 2raq s ARG 32 CO 0.27 -2.43 0.67 0.41 -0.81 0.00 0.00 175.30 173.42 2raq n GLY 33 N 5.79 -0.64 2.90 8.12 0.00 -1.26 -4.73 105.19 115.37 2raq n GLY 33 Ca 0.31 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.27 1.58 -0.38 1.61 1.01 -1.23 -1.52 120.40 118.20 2raq s VAL 34 Ca 0.32 -1.65 0.27 0.00 0.00 0.00 0.00 61.98 60.92 2raq s VAL 34 Cb -0.04 -2.05 0.30 0.00 0.00 0.00 0.00 36.38 34.59 2raq s VAL 34 CO 0.55 -0.44 1.79 -0.33 0.00 0.00 0.00 175.10 176.66 2raq h GLU 35 N 7.88 0.00 0.00 2.72 5.08 -1.60 -3.45 114.58 125.21 2raq h GLU 35 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2raq h GLU 35 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2raq h GLU 35 CO 0.47 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 2raq n GLY 36 N 0.38 2.06 3.32 -3.84 0.00 -1.09 -5.04 105.19 100.98 2raq n GLY 36 Ca 0.03 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2raq n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2raq s VAL 37 N -1.08 1.84 -0.04 1.61 0.11 -1.26 -2.25 120.40 119.32 2raq s VAL 37 Ca 0.00 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 57.33 2raq s VAL 37 Cb 0.00 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.15 2raq s VAL 37 CO 0.00 -0.14 -0.02 0.21 -3.33 0.00 0.00 175.10 171.83 2raq s ASN 38 N -2.22 0.91 -0.24 3.54 3.84 -0.01 -5.00 114.94 115.75 2raq s ASN 38 Ca 0.11 -0.08 0.02 0.00 0.21 0.00 0.00 52.86 53.12 2raq s ASN 38 Cb -0.08 -0.37 0.05 0.00 -0.55 0.00 0.00 41.25 40.29 2raq s ASN 38 CO 0.06 -0.10 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.52 2raq s ILE 39 N 1.19 2.29 0.04 -5.21 1.01 -1.26 -0.11 121.20 119.14 2raq s ILE 39 Ca -0.07 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.18 2raq s ILE 39 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2raq s ILE 39 CO -0.02 0.11 0.12 0.42 0.00 0.00 0.00 174.94 175.57 2raq s THR 40 N 1.18 4.90 0.68 2.92 -4.23 -0.42 -4.94 115.64 115.72 2raq s THR 40 Ca -0.05 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.92 2raq s THR 40 Cb -0.18 -3.32 0.06 0.00 1.34 0.00 0.00 72.50 70.40 2raq s THR 40 CO -0.06 0.23 0.97 -0.22 -0.54 0.00 0.00 174.62 174.99 2raq s LEU 41 N -2.15 2.90 0.03 4.79 0.20 -1.26 0.58 118.68 123.77 2raq s LEU 41 Ca 0.28 0.37 -0.30 0.00 0.69 0.00 0.00 54.13 55.17 2raq s LEU 41 Cb -0.12 -3.06 -0.05 0.00 -0.43 0.00 0.00 46.19 42.53 2raq s LEU 41 CO 0.20 -1.52 1.17 -0.70 -0.29 0.00 0.00 176.35 175.21 2raq s GLU 43 N -5.16 4.44 -0.82 1.98 2.12 -1.00 -4.95 118.70 115.31 2raq s GLU 43 Ca 0.60 1.70 0.02 0.00 0.36 0.00 0.00 54.97 57.65 2raq s GLU 43 Cb -0.11 -3.40 0.33 0.00 0.26 0.00 0.00 34.13 31.21 2raq s GLU 43 CO 0.44 -0.26 1.39 1.51 -0.54 0.00 0.00 175.26 177.80 2raq n ILE 44 N 4.04 4.63 -0.92 -3.70 3.06 -1.26 -0.56 119.36 124.66 2raq n ILE 44 Ca 0.09 -5.79 -0.37 0.00 -2.50 0.00 0.00 62.75 54.18 2raq n ILE 44 Cb 0.47 -1.52 0.07 0.00 0.54 0.00 0.00 39.64 39.20 2raq n ILE 44 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2raq n ASP 45 N -0.06 -3.00 0.10 9.51 9.92 -1.26 -4.87 116.55 126.89 2raq n ASP 45 Ca 0.39 -0.02 -0.23 0.00 -0.53 0.00 0.00 54.79 54.40 2raq n ASP 45 Cb 0.33 -0.64 -0.15 0.00 -0.64 0.00 0.00 41.12 40.02 2raq n ASP 45 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2raq h LYS 46 N -1.27 0.43 -0.00 -1.24 2.10 -2.03 -3.37 116.57 111.19 2raq h LYS 46 Ca -0.43 -0.74 -0.06 0.00 -2.00 0.00 0.00 60.65 57.42 2raq h LYS 46 Cb 1.38 0.28 0.00 0.00 -0.90 0.00 0.00 32.23 32.99 2raq h LYS 46 CO 0.26 1.36 -0.22 0.93 -2.00 0.00 0.00 179.45 179.77 2raq h GLU 47 N -0.08 0.15 0.00 0.07 4.39 -2.00 -3.48 114.58 113.63 2raq h GLU 47 Ca -0.22 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2raq h GLU 47 Cb 1.95 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 2raq h GLU 47 CO 0.22 0.90 0.00 -2.37 -1.16 0.00 0.00 179.01 176.60 2raq n THR 48 N -4.53 0.00 0.00 1.13 5.66 -1.26 -4.65 114.28 110.63 2raq n THR 48 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2raq n THR 48 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2raq n THR 48 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2raq n GLU 49 N 0.00 0.00 -3.36 1.09 2.13 -1.20 -4.10 120.64 115.21 2raq n GLU 49 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 2raq n GLU 49 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2raq n GLU 49 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2raq s ASN 50 N 0.00 6.62 0.04 4.31 3.84 0.28 -1.68 114.94 128.35 2raq s ASN 50 Ca 0.00 0.73 0.01 0.00 0.21 0.00 0.00 52.86 53.81 2raq s ASN 50 Cb 0.00 -2.26 -0.03 0.00 -0.55 0.00 0.00 41.25 38.41 2raq s ASN 50 CO 0.00 0.01 -0.05 0.27 -2.79 0.00 0.00 177.10 174.54 2raq s ILE 51 N 0.67 0.32 -0.21 -5.21 -0.00 -0.78 -2.38 121.20 113.63 2raq s ILE 51 Ca 0.24 -1.32 -0.02 0.00 -0.00 0.00 0.00 60.65 59.55 2raq s ILE 51 Cb -0.15 -0.85 0.00 0.00 -0.00 0.00 0.00 42.46 41.47 2raq s ILE 51 CO 0.09 -0.65 -0.11 -0.75 -0.00 0.00 0.00 174.94 173.53 2raq s LYS 52 N -2.42 3.19 -0.31 0.37 2.20 0.20 -2.30 119.74 120.66 2raq s LYS 52 Ca -0.05 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.72 2raq s LYS 52 Cb -0.03 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2raq s LYS 52 CO -0.03 -0.21 0.20 0.08 -0.36 0.00 0.00 175.35 175.03 2raq s VAL 53 N 1.39 5.17 -0.39 4.02 1.01 -0.75 -1.30 120.40 129.55 2raq s VAL 53 Ca 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2raq s VAL 53 Cb -0.14 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2raq s VAL 53 CO -0.07 0.12 0.23 -0.89 0.00 0.00 0.00 175.10 174.48 2raq s THR 54 N 1.72 4.55 0.02 3.92 2.01 0.85 -1.61 115.64 127.09 2raq s THR 54 Ca 0.06 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.14 2raq s THR 54 Cb -0.17 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2raq s THR 54 CO 0.10 -0.31 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.06 2raq s ILE 55 N 1.53 3.03 -0.16 1.82 2.07 0.19 -0.83 121.20 128.86 2raq s ILE 55 Ca 0.02 -1.01 -0.15 0.00 -1.41 0.00 0.00 60.65 58.10 2raq s ILE 55 Cb -0.20 -2.27 0.04 0.00 0.13 0.00 0.00 42.46 40.16 2raq s ILE 55 CO 0.06 0.40 0.43 -1.58 -1.91 0.00 0.00 174.94 172.33 2raq s GLN 56 N -1.30 0.51 0.00 3.50 0.74 -0.95 0.14 119.66 122.30 2raq s GLN 56 Ca 0.15 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.14 2raq s GLN 56 Cb -0.11 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.25 2raq s GLN 56 CO 0.05 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 2raq n GLY 57 N 2.80 -0.93 3.17 2.59 0.00 0.24 -1.56 105.19 111.49 2raq n GLY 57 Ca -0.13 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 1.95 -0.06 1.61 3.04 -0.58 -4.45 114.94 112.46 2raq s ASN 58 Ca 0.00 -0.39 -0.02 0.00 0.04 0.00 0.00 52.86 52.49 2raq s ASN 58 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 41.25 39.53 2raq s ASN 58 CO 0.00 0.14 0.06 -0.67 -3.04 0.00 0.00 177.10 173.59 2raq n ASP 59 N 2.27 -0.50 -4.85 -4.21 -0.08 -0.33 -4.70 116.55 104.15 2raq n ASP 59 Ca -0.16 -0.05 -0.34 0.00 -1.51 0.00 0.00 54.79 52.73 2raq n ASP 59 Cb 0.54 -0.15 -0.06 0.00 2.34 0.00 0.00 41.12 43.79 2raq n ASP 59 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2raq s LEU 60 N -1.11 4.28 -0.63 -2.67 1.43 -0.96 -4.87 118.68 114.16 2raq s LEU 60 Ca 0.02 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 2raq s LEU 60 Cb -0.00 -3.40 0.16 0.00 0.03 0.00 0.00 46.19 42.98 2raq s LEU 60 CO 0.09 0.05 0.53 -0.62 0.23 0.00 0.00 176.35 176.63 2raq s ASP 61 N -1.91 6.05 0.66 2.29 2.15 -1.26 -4.43 116.67 120.22 2raq s ASP 61 Ca 0.41 -2.33 0.20 0.00 0.43 0.00 0.00 52.55 51.25 2raq s ASP 61 Cb -0.14 -2.08 1.04 0.00 -0.30 0.00 0.00 42.92 41.44 2raq s ASP 61 CO 0.20 -0.62 1.58 0.15 -0.17 0.00 0.00 175.17 176.31 2raq h PHE 62 N 8.04 0.00 0.03 -5.34 3.57 -1.99 -0.42 116.94 120.82 2raq h PHE 62 Ca -0.08 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.08 2raq h PHE 62 Cb 1.04 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 2raq h PHE 62 CO 0.80 0.00 -2.02 -0.25 -2.23 0.00 0.00 178.31 174.61 2raq n ASP 63 N -2.82 1.08 0.09 0.41 9.92 -1.26 -0.61 116.55 123.36 2raq n ASP 63 Ca 0.00 0.21 0.07 0.00 -0.53 0.00 0.00 54.79 54.54 2raq n ASP 63 Cb 0.65 -0.04 0.52 0.00 -0.64 0.00 0.00 41.12 41.61 2raq n ASP 63 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2raq h GLU 64 N 0.02 0.30 0.00 -1.24 5.08 -1.53 -2.55 114.58 114.66 2raq h GLU 64 Ca -0.41 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2raq h GLU 64 Cb 2.06 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 2raq h GLU 64 CO 0.05 0.20 -0.07 0.82 -1.00 0.00 0.00 179.01 179.01 2raq h ILE 65 N 0.31 0.69 -1.01 3.13 1.08 -1.25 -2.84 117.51 117.62 2raq h ILE 65 Ca 0.11 -1.53 0.24 0.00 -0.39 0.00 0.00 64.86 63.29 2raq h ILE 65 Cb 0.07 1.31 -0.10 0.00 -3.07 0.00 0.00 36.82 35.03 2raq h ILE 65 CO -0.02 0.23 0.64 0.00 -0.69 0.00 0.00 178.15 178.30 2raq h THR 66 N -1.00 0.58 -0.29 -0.27 1.03 -0.95 -1.53 112.91 110.47 2raq h THR 66 Ca -0.01 -0.17 -0.17 0.00 -0.01 0.00 0.00 66.41 66.04 2raq h THR 66 Cb 0.43 0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.54 2raq h THR 66 CO -0.01 0.09 -0.50 0.03 -0.01 0.00 0.00 175.52 175.13 2raq h ARG 67 N 0.50 0.86 -0.65 0.00 3.08 -1.55 -3.02 114.38 113.59 2raq h ARG 67 Ca 0.59 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2raq h ARG 67 Cb 1.30 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 2raq h ARG 67 CO -0.34 1.16 0.24 0.00 -1.07 0.00 0.00 179.97 179.97 2raq h ALA 68 N 0.68 0.85 -0.52 0.04 0.00 -1.04 -1.35 119.26 117.93 2raq h ALA 68 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2raq h ALA 68 Cb 1.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2raq h ALA 68 CO 0.11 0.49 0.30 0.82 0.00 0.00 0.00 179.25 180.97 2raq h ILE 69 N 0.93 1.17 -0.35 0.00 2.04 -1.52 -2.66 117.51 117.11 2raq h ILE 69 Ca 0.21 -0.40 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 2raq h ILE 69 Cb 0.24 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2raq h ILE 69 CO -0.01 0.17 -0.41 -0.33 0.00 0.00 0.00 178.15 177.57 2raq h GLU 70 N 0.69 0.90 -0.72 2.37 5.08 -1.35 0.19 114.58 121.74 2raq h GLU 70 Ca 0.18 -0.50 0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2raq h GLU 70 Cb 0.02 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2raq h GLU 70 CO -0.03 1.14 0.16 0.77 -1.00 0.00 0.00 179.01 180.05 2raq h SER 71 N 0.70 -0.01 0.00 1.42 0.02 -1.14 0.48 113.55 115.02 2raq h SER 71 Ca 0.05 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2raq h SER 71 Cb 1.01 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2raq h SER 71 CO 0.10 -0.04 0.00 -1.22 -1.14 0.00 0.00 176.83 174.53 2raq n TYR 72 N -5.16 0.00 -0.38 3.45 4.02 -1.01 -4.81 117.16 113.27 2raq n TYR 72 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2raq n TYR 72 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.36 0.74 3.55 2.72 0.00 0.17 -4.26 105.19 108.45 2raq n GLY 73 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.62 1.55 -0.29 -0.02 0.00 0.63 -4.53 107.32 103.04 2raq s GLY 74 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 2raq s GLY 74 CO 0.00 0.06 0.56 -0.45 0.00 0.00 0.00 173.10 173.27 2raq s SER 75 N -3.62 -1.05 0.17 1.64 0.15 -0.89 -4.35 113.70 105.75 2raq s SER 75 Ca 0.70 0.82 -0.32 0.00 0.70 0.00 0.00 55.95 57.85 2raq s SER 75 Cb -0.13 1.97 -0.10 0.00 -1.71 0.00 0.00 66.02 66.05 2raq s SER 75 CO 0.57 -0.26 1.62 -0.63 1.20 0.00 0.00 173.24 175.74 2raq s ILE 76 N 2.80 2.50 -0.26 6.45 1.09 -1.26 -1.39 121.20 131.12 2raq s ILE 76 Ca 0.17 0.33 -0.10 0.00 -1.10 0.00 0.00 60.65 59.94 2raq s ILE 76 Cb -0.15 -3.21 -0.12 0.00 -1.06 0.00 0.00 42.46 37.92 2raq s ILE 76 CO -0.20 0.02 -0.32 1.41 -0.10 0.00 0.00 174.94 175.76 2raq n HIS 77 N 4.14 0.00 -3.77 3.97 8.25 0.89 -4.92 115.22 123.78 2raq n HIS 77 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 2raq n HIS 77 Cb 0.38 -0.95 -0.08 0.00 1.12 0.00 0.00 29.99 30.46 2raq n HIS 77 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2raq s SER 78 N -7.19 -0.14 -0.26 0.41 1.04 -1.15 -5.03 113.70 101.38 2raq s SER 78 Ca -0.36 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 2raq s SER 78 Cb 0.13 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2raq s SER 78 CO 0.48 -0.53 0.43 -0.69 0.98 0.00 0.00 173.24 173.92 2raq s VAL 79 N -1.96 5.13 -0.12 5.02 1.01 -1.26 0.12 120.40 128.34 2raq s VAL 79 Ca -0.09 0.71 0.13 0.00 0.00 0.00 0.00 61.98 62.73 2raq s VAL 79 Cb -0.03 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.36 2raq s VAL 79 CO 0.00 0.14 0.35 0.47 0.00 0.00 0.00 175.10 176.06 2raq n ASP 80 N 5.34 0.67 -3.79 3.32 8.00 0.26 -4.96 116.55 125.39 2raq n ASP 80 Ca -0.07 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 2raq n ASP 80 Cb 0.50 0.29 -0.09 0.00 -0.02 0.00 0.00 41.12 41.80 2raq n ASP 80 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2raq s GLU 81 N -2.55 0.58 -0.07 -1.24 2.12 -0.74 -4.98 118.70 111.82 2raq s GLU 81 Ca -0.10 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 2raq s GLU 81 Cb 0.07 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.74 2raq s GLU 81 CO 0.81 -0.15 0.17 0.08 -0.54 0.00 0.00 175.26 175.63 2raq s VAL 82 N -1.18 -0.03 -0.18 3.70 1.01 -1.26 -0.48 120.40 121.98 2raq s VAL 82 Ca -0.12 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2raq s VAL 82 Cb -0.06 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.10 2raq s VAL 82 CO 0.03 0.04 -0.11 -0.69 0.00 0.00 0.00 175.10 174.37 2raq s VAL 83 N 0.69 1.55 0.00 2.92 1.01 -0.27 -5.00 120.40 121.31 2raq s VAL 83 Ca -0.05 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2raq s VAL 83 Cb -0.07 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2raq s VAL 83 CO -0.04 0.26 -0.22 0.00 0.00 0.00 0.00 175.10 175.11 2raq s ALA 84 N 1.46 1.85 0.00 5.51 0.00 -1.26 0.42 121.76 129.74 2raq s ALA 84 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2raq s ALA 84 Cb -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2raq s ALA 84 CO -0.09 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2raq n GLY 85 N 2.33 0.52 0.12 0.00 0.00 0.56 -4.84 105.19 103.88 2raq n GLY 85 Ca -0.16 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.49 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 2.59 -0.21 0.00 1.61 2.43 -1.89 -3.34 114.38 115.57 2raq h ARG 86 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2raq h ARG 86 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2raq h ARG 86 CO 0.00 0.00 0.00 -2.37 -1.51 0.00 0.00 179.97 176.09 2raq n THR 87 N -5.10 0.00 -3.44 0.20 5.66 -1.26 -4.12 114.28 106.21 2raq n THR 87 Ca -0.09 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.92 2raq n THR 87 Cb 0.17 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.90 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 1.73 -0.26 0.38 1.08 1.01 -1.26 -4.88 120.40 118.21 2raq s VAL 89 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2raq s VAL 89 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 2raq s VAL 89 CO 0.00 0.00 0.85 -1.61 0.00 0.00 0.00 175.10 174.34 2raq s GLU 90 N 1.98 4.12 0.26 2.72 0.41 -1.26 -4.96 118.70 121.97 2raq s GLU 90 Ca -0.04 0.91 -0.31 0.00 -0.41 0.00 0.00 54.97 55.12 2raq s GLU 90 Cb -0.04 -2.29 -0.11 0.00 -1.78 0.00 0.00 34.13 29.90 2raq s GLU 90 CO -0.16 0.05 1.62 -2.00 -0.49 0.00 0.00 175.26 174.28 2raq s GLU 91 N -3.13 4.14 0.09 1.61 2.12 -1.26 -5.01 118.70 117.26 2raq s GLU 91 Ca 0.58 2.56 -0.03 0.00 0.36 0.00 0.00 54.97 58.44 2raq s GLU 91 Cb -0.10 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 2raq s GLU 91 CO 0.16 -0.65 0.30 0.14 -0.54 0.00 0.00 175.26 174.66 2raq s VAL 92 N 0.41 5.27 0.34 3.70 -7.23 -1.26 -5.12 120.40 116.51 2raq s VAL 92 Ca 0.67 -0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.80 2raq s VAL 92 Cb -0.48 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 32.84 2raq s VAL 92 CO 0.42 0.13 0.45 0.42 -0.31 0.00 0.00 175.10 176.21 2raq s THR 93 N -1.54 3.99 0.10 5.32 -4.23 -1.26 -5.13 115.64 112.89 2raq s THR 93 Ca 0.36 -1.04 -0.25 0.00 -1.18 0.00 0.00 61.69 59.58 2raq s THR 93 Cb -0.13 -3.38 0.08 0.00 1.34 0.00 0.00 72.50 70.42 2raq s THR 93 CO 0.24 -0.16 0.75 0.28 -0.54 0.00 0.00 174.62 175.20 2raq s THR 94 N -2.19 0.00 -1.93 3.99 -1.32 -1.26 -5.34 115.64 107.59 2raq s THR 94 Ca 0.45 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 2raq s THR 94 Cb -0.09 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 2raq s THR 94 CO 0.31 0.00 0.48 -2.65 -2.21 0.00 0.00 174.62 170.55