#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpq h ALA 2 N 0.00 0.52 -3.00 3.17 0.00 -1.96 -3.47 119.26 114.52 2rpq h ALA 2 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2rpq h ALA 2 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2rpq h ALA 2 CO 0.00 0.43 0.00 -3.47 0.00 0.00 0.00 179.25 176.21 2rpq n ASP 3 N -4.31 0.00 -0.49 0.00 2.03 -1.26 -5.04 116.55 107.47 2rpq n ASP 3 Ca -0.02 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.40 2rpq n ASP 3 Cb 0.39 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.80 2rpq n ASP 3 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2rpq n GLU 4 N 0.00 1.20 -3.36 -0.67 0.28 -1.26 -4.89 120.64 111.95 2rpq n GLU 4 Ca 0.00 -0.99 -0.38 0.00 -0.16 0.00 0.00 57.16 55.63 2rpq n GLU 4 Cb 0.00 -1.48 -0.07 0.00 1.43 0.00 0.00 31.44 31.32 2rpq n GLU 4 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2rpq s LYS 5 N -2.48 4.20 1.06 3.44 2.20 -1.26 -5.10 119.74 121.81 2rpq s LYS 5 Ca 0.19 0.27 -0.16 0.00 -0.36 0.00 0.00 55.97 55.90 2rpq s LYS 5 Cb 0.18 -3.52 0.10 0.00 -1.51 0.00 0.00 37.83 33.08 2rpq s LYS 5 CO 0.57 -0.01 0.29 -2.30 -0.36 0.00 0.00 175.35 173.53 2rpq n PRO 6 N 4.36 -1.17 -4.36 4.03 -0.02 -1.26 -4.69 135.00 131.89 2rpq n PRO 6 Ca -0.08 -0.31 -0.18 0.00 -2.02 0.00 0.00 63.50 60.91 2rpq n PRO 6 Cb 0.51 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 2rpq n PRO 6 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2rpq s LYS 7 N -3.65 1.48 0.04 -0.52 -2.85 -1.26 -5.06 119.74 107.93 2rpq s LYS 7 Ca 0.58 -1.80 -0.00 0.00 -1.00 0.00 0.00 55.97 53.74 2rpq s LYS 7 Cb -0.17 -0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 35.10 2rpq s LYS 7 CO 0.66 -0.25 -0.03 -1.21 0.10 0.00 0.00 175.35 174.62 2rpq s GLU 8 N -3.98 0.54 0.00 1.78 0.41 -1.26 -5.05 118.70 111.14 2rpq s GLU 8 Ca 0.37 -1.05 0.30 0.00 -0.41 0.00 0.00 54.97 54.18 2rpq s GLU 8 Cb 0.08 0.14 1.40 0.00 -1.78 0.00 0.00 34.13 33.97 2rpq s GLU 8 CO 0.14 -0.08 1.99 0.41 -0.49 0.00 0.00 175.26 177.23 2rpq n GLY 9 N 0.54 -1.33 0.71 -1.39 0.00 -1.26 -3.35 105.19 99.12 2rpq n GLY 9 Ca -0.17 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2rpq n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rpq n VAL 10 N -1.33 0.73 -4.38 1.61 0.24 -1.26 -4.89 118.33 109.05 2rpq n VAL 10 Ca 0.12 -0.87 -0.20 0.00 -2.04 0.00 0.00 64.34 61.35 2rpq n VAL 10 Cb 0.28 0.71 -0.16 0.00 -1.47 0.00 0.00 33.84 33.20 2rpq n VAL 10 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2rpq s LYS 11 N -1.03 0.99 0.01 7.34 1.02 -1.21 -5.15 119.74 121.70 2rpq s LYS 11 Ca 0.25 -0.29 -0.16 0.00 0.02 0.00 0.00 55.97 55.78 2rpq s LYS 11 Cb 0.14 -0.92 0.03 0.00 -0.52 0.00 0.00 37.83 36.56 2rpq s LYS 11 CO 0.18 0.09 0.36 -0.08 -0.92 0.00 0.00 175.35 174.98 2rpq s THR 12 N 0.28 0.06 -1.26 2.17 -1.32 -1.26 -4.57 115.64 109.73 2rpq s THR 12 Ca -0.04 -0.49 0.24 0.00 -1.21 0.00 0.00 61.69 60.19 2rpq s THR 12 Cb -0.09 -0.79 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2rpq s THR 12 CO 0.01 -0.27 1.34 -0.62 -2.21 0.00 0.00 174.62 172.87 2rpq n GLU 13 N 0.92 0.30 -3.53 7.08 -0.58 -1.26 -4.99 120.64 118.58 2rpq n GLU 13 Ca -0.20 -0.19 -0.23 0.00 -0.42 0.00 0.00 57.16 56.11 2rpq n GLU 13 Cb 0.58 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.02 2rpq n GLU 13 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2rpq n ASN 14 N -1.18 -6.31 -4.80 1.62 3.02 -1.26 -5.01 115.26 101.33 2rpq n ASN 14 Ca 0.07 -0.51 -0.37 0.00 -0.03 0.00 0.00 54.58 53.74 2rpq n ASN 14 Cb 0.35 -4.96 -0.06 0.00 -0.61 0.00 0.00 39.78 34.50 2rpq n ASN 14 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2rpq s ASN 15 N -3.26 7.18 0.00 6.41 0.01 -1.26 -4.96 114.94 119.06 2rpq s ASN 15 Ca 0.55 1.50 0.21 0.00 -0.71 0.00 0.00 52.86 54.41 2rpq s ASN 15 Cb -0.24 -2.45 0.48 0.00 0.41 0.00 0.00 41.25 39.44 2rpq s ASN 15 CO 0.68 0.10 1.41 0.47 -1.51 0.00 0.00 177.10 178.25 2rpq n ASP 16 N 1.04 3.51 -4.77 -1.22 8.00 -1.26 -4.68 116.55 117.17 2rpq n ASP 16 Ca -0.04 -1.97 -0.37 0.00 0.71 0.00 0.00 54.79 53.12 2rpq n ASP 16 Cb 0.50 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.21 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2rpq s HIS 17 N -1.20 3.55 0.08 1.24 -3.43 -1.26 -1.58 115.29 112.69 2rpq s HIS 17 Ca 0.39 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 55.36 2rpq s HIS 17 Cb 0.22 -2.29 -0.04 0.00 -1.43 0.00 0.00 32.58 29.04 2rpq s HIS 17 CO 0.29 0.40 -0.03 0.96 -2.00 0.00 0.00 174.74 174.36 2rpq s ILE 18 N -0.10 0.41 0.04 -5.38 -4.36 0.53 -4.98 121.20 107.36 2rpq s ILE 18 Ca 0.19 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.78 2rpq s ILE 18 Cb -0.14 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 2rpq s ILE 18 CO 0.07 -0.88 -0.22 0.20 0.24 0.00 0.00 174.94 174.35 2rpq s ASN 19 N -2.99 3.52 0.13 4.36 0.01 0.04 -0.48 114.94 119.52 2rpq s ASN 19 Ca 0.11 -0.50 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 2rpq s ASN 19 Cb 0.07 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 2rpq s ASN 19 CO -0.06 0.26 -0.07 -1.48 -1.51 0.00 0.00 177.10 174.24 2rpq s LEU 20 N -1.36 2.45 0.07 0.60 2.34 -0.04 -1.97 118.68 120.77 2rpq s LEU 20 Ca 0.13 -1.04 0.05 0.00 0.06 0.00 0.00 54.13 53.33 2rpq s LEU 20 Cb -0.10 -0.17 -0.03 0.00 -0.56 0.00 0.00 46.19 45.33 2rpq s LEU 20 CO 0.04 -0.44 -0.13 -1.59 -1.06 0.00 0.00 176.35 173.18 2rpq s LYS 21 N -3.82 0.78 -0.19 1.48 -2.85 0.26 -0.04 119.74 115.36 2rpq s LYS 21 Ca 0.16 -0.95 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 2rpq s LYS 21 Cb 0.04 -0.72 0.02 0.00 -2.06 0.00 0.00 37.83 35.12 2rpq s LYS 21 CO -0.01 0.15 -0.18 0.08 0.10 0.00 0.00 175.35 175.49 2rpq s VAL 22 N -1.43 2.21 -0.13 1.79 1.01 -0.04 -0.83 120.40 122.97 2rpq s VAL 22 Ca -0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2rpq s VAL 22 Cb -0.09 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2rpq s VAL 22 CO 0.02 0.49 -0.12 0.00 0.00 0.00 0.00 175.10 175.48 2rpq s ALA 23 N 1.30 2.66 0.83 5.51 0.00 0.39 -1.89 121.76 130.56 2rpq s ALA 23 Ca 0.04 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 2rpq s ALA 23 Cb -0.14 -1.24 0.16 0.00 0.00 0.00 0.00 23.12 21.90 2rpq s ALA 23 CO -0.11 0.25 1.14 0.20 0.00 0.00 0.00 175.76 177.24 2rpq s GLY 24 N 0.33 1.77 0.24 0.00 0.00 -0.02 -1.10 107.32 108.54 2rpq s GLY 24 Ca -0.10 -1.54 0.19 0.00 0.00 0.00 0.00 44.72 43.28 2rpq s GLY 24 CO 0.05 -0.87 1.21 1.46 0.00 0.00 0.00 173.10 174.95 2rpq h GLN 25 N -1.02 0.00 0.00 2.90 4.20 -1.86 -3.26 115.11 116.08 2rpq h GLN 25 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2rpq h GLN 25 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2rpq h GLN 25 CO 0.38 0.19 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.99 2rpq h ASP 26 N 0.00 0.00 0.00 1.46 3.32 -1.96 -3.47 116.42 115.77 2rpq h ASP 26 Ca -0.04 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2rpq h ASP 26 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2rpq h ASP 26 CO 0.03 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2rpq n GLY 27 N 1.20 0.39 3.71 2.75 0.00 -1.23 -5.13 105.19 106.87 2rpq n GLY 27 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2rpq n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpq s SER 28 N -0.33 4.94 0.00 1.61 0.01 -1.26 -4.87 113.70 113.81 2rpq s SER 28 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2rpq s SER 28 Cb 0.00 -1.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.14 2rpq s SER 28 CO 0.00 0.03 -0.00 0.54 0.41 0.00 0.00 173.24 174.21 2rpq s VAL 29 N -2.03 0.02 -0.03 3.43 0.11 -1.26 -0.84 120.40 119.80 2rpq s VAL 29 Ca 0.30 -0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 2rpq s VAL 29 Cb -0.08 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.71 2rpq s VAL 29 CO 0.21 -0.05 -0.24 0.54 -3.33 0.00 0.00 175.10 172.23 2rpq s VAL 30 N -0.15 2.18 0.27 2.04 0.11 -0.79 -4.96 120.40 119.11 2rpq s VAL 30 Ca -0.02 -1.05 0.09 0.00 -2.93 0.00 0.00 61.98 58.08 2rpq s VAL 30 Cb -0.01 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 2rpq s VAL 30 CO -0.00 0.58 0.02 0.00 -3.33 0.00 0.00 175.10 172.36 2rpq s GLN 31 N -0.50 2.32 -0.06 1.54 1.03 -1.26 -0.87 119.66 121.86 2rpq s GLN 31 Ca 0.07 -1.42 -0.06 0.00 0.04 0.00 0.00 55.36 53.98 2rpq s GLN 31 Cb -0.11 -2.17 0.02 0.00 0.03 0.00 0.00 33.01 30.77 2rpq s GLN 31 CO 0.00 0.34 0.18 -0.06 -2.54 0.00 0.00 175.29 173.22 2rpq s PHE 32 N -2.33 -0.19 -0.30 9.60 0.40 0.94 -4.97 117.98 121.13 2rpq s PHE 32 Ca 0.32 0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 57.01 2rpq s PHE 32 Cb -0.06 0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.53 2rpq s PHE 32 CO 0.20 -0.11 0.14 0.21 0.70 0.00 0.00 175.22 176.36 2rpq s LYS 33 N 0.00 3.33 0.04 0.44 2.20 -1.26 -0.86 119.74 123.63 2rpq s LYS 33 Ca -0.01 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 2rpq s LYS 33 Cb -0.02 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2rpq s LYS 33 CO 0.00 -0.40 0.06 -1.50 -0.36 0.00 0.00 175.35 173.15 2rpq s ILE 34 N 1.60 0.14 0.35 5.43 2.07 0.37 -4.98 121.20 126.17 2rpq s ILE 34 Ca 0.04 -1.15 0.08 0.00 -1.41 0.00 0.00 60.65 58.21 2rpq s ILE 34 Cb -0.17 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 2rpq s ILE 34 CO 0.06 -0.64 0.28 -0.54 -1.91 0.00 0.00 174.94 172.19 2rpq s LYS 35 N -2.58 2.64 0.26 3.50 3.01 -1.26 -0.35 119.74 124.96 2rpq s LYS 35 Ca -0.05 -1.37 -0.03 0.00 -1.01 0.00 0.00 55.97 53.50 2rpq s LYS 35 Cb -0.01 -2.41 0.33 0.00 -1.01 0.00 0.00 37.83 34.72 2rpq s LYS 35 CO -0.05 0.06 1.82 -0.09 0.51 0.00 0.00 175.35 177.60 2rpq h ARG 36 N 1.27 0.97 -0.02 1.68 9.65 -1.70 -2.77 114.38 123.46 2rpq h ARG 36 Ca -0.44 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 2rpq h ARG 36 Cb 1.26 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2rpq h ARG 36 CO 0.59 0.82 -0.39 1.58 2.80 0.00 0.00 179.97 185.37 2rpq n HIS 37 N -4.29 0.00 -1.77 2.20 -0.00 -1.26 -4.97 115.22 105.14 2rpq n HIS 37 Ca 0.05 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.82 2rpq n HIS 37 Cb 0.20 -0.01 -0.02 0.00 -0.12 0.00 0.00 29.99 30.04 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2rpq s THR 38 N -2.41 2.06 0.70 3.57 2.01 -1.05 -5.01 115.64 115.51 2rpq s THR 38 Ca 0.20 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 2rpq s THR 38 Cb 0.18 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.68 2rpq s THR 38 CO 0.53 0.01 1.06 -2.16 -0.69 0.00 0.00 174.62 173.37 2rpq s PRO 39 N -0.27 2.91 0.50 4.92 0.04 -1.26 -4.92 135.00 136.92 2rpq s PRO 39 Ca 0.65 0.88 0.25 0.00 0.04 0.00 0.00 61.00 62.81 2rpq s PRO 39 Cb -0.48 -1.99 1.30 0.00 0.04 0.00 0.00 34.50 33.37 2rpq s PRO 39 CO 0.46 -1.10 2.02 1.37 0.04 0.00 0.00 177.00 179.79 2rpq h LEU 40 N -0.72 0.00 -1.99 -3.56 8.10 -1.82 -2.92 115.31 112.39 2rpq h LEU 40 Ca -0.44 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.74 2rpq h LEU 40 Cb 1.22 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.41 2rpq h LEU 40 CO 0.58 0.16 0.50 0.77 -4.11 0.00 0.00 178.44 176.34 2rpq h SER 41 N 0.00 0.00 -0.41 0.17 4.64 -1.91 -2.64 113.55 113.40 2rpq h SER 41 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2rpq h SER 41 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2rpq h SER 41 CO 0.02 0.00 0.05 0.11 -0.87 0.00 0.00 176.83 176.15 2rpq h LYS 42 N 0.00 0.70 -0.04 4.77 1.79 -1.88 -2.21 116.57 119.70 2rpq h LYS 42 Ca 0.31 -0.19 -0.11 0.00 -2.18 0.00 0.00 60.65 58.48 2rpq h LYS 42 Cb 1.31 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2rpq h LYS 42 CO -0.00 0.74 -0.47 1.37 -1.08 0.00 0.00 179.45 180.01 2rpq h LEU 43 N 0.54 0.11 -0.63 2.94 -0.00 -1.69 -1.29 115.31 115.29 2rpq h LEU 43 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2rpq h LEU 43 Cb 0.39 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2rpq h LEU 43 CO 0.01 0.57 0.40 -0.03 -0.00 0.00 0.00 178.44 179.39 2rpq h MET 44 N 0.08 0.84 -0.61 0.17 4.05 -1.41 0.25 114.93 118.31 2rpq h MET 44 Ca 0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2rpq h MET 44 Cb 0.87 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 2rpq h MET 44 CO 0.07 0.58 0.33 -0.22 0.23 0.00 0.00 176.91 177.90 2rpq h LYS 45 N 0.86 0.84 -0.17 0.39 1.63 -1.15 -2.26 116.57 116.71 2rpq h LYS 45 Ca 0.23 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.81 2rpq h LYS 45 Cb -0.06 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 2rpq h LYS 45 CO -0.05 0.64 -0.42 0.00 -3.45 0.00 0.00 179.45 176.18 2rpq h ALA 46 N 1.16 0.97 -0.68 5.00 0.00 -0.92 -1.32 119.26 123.47 2rpq h ALA 46 Ca 0.21 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2rpq h ALA 46 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2rpq h ALA 46 CO -0.03 0.62 0.43 -0.92 0.00 0.00 0.00 179.25 179.34 2rpq h TYR 47 N 0.32 0.87 -0.03 0.00 3.20 -0.42 -0.18 116.97 120.73 2rpq h TYR 47 Ca 0.03 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2rpq h TYR 47 Cb 0.87 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2rpq h TYR 47 CO 0.02 0.57 -0.49 0.00 -1.64 0.00 0.00 178.16 176.62 2rpq h GLU 49 N 0.06 -0.23 0.13 0.00 5.08 -0.44 -3.37 114.58 115.81 2rpq h GLU 49 Ca -0.00 0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 2rpq h GLU 49 Cb 0.89 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.21 2rpq h GLU 49 CO 0.07 0.11 -0.90 0.00 -1.00 0.00 0.00 179.01 177.28 2rpq h ARG 50 N -0.59 0.39 0.00 2.33 3.08 -1.01 -3.48 114.38 115.10 2rpq h ARG 50 Ca -0.02 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2rpq h ARG 50 Cb 0.44 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2rpq h ARG 50 CO 0.04 1.26 0.00 1.04 -1.07 0.00 0.00 179.97 181.24 2rpq n GLN 51 N -4.06 0.00 -0.10 0.04 1.13 0.16 -4.94 117.38 109.60 2rpq n GLN 51 Ca -0.14 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.76 2rpq n GLN 51 Cb 0.85 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 31.06 2rpq n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rpq n GLY 52 N 0.00 -0.54 4.72 1.08 0.00 0.10 -4.97 105.19 105.57 2rpq n GLY 52 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2rpq n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2rpq n LEU 53 N -3.18 0.00 -4.58 0.99 -0.00 -1.21 -4.71 117.00 104.31 2rpq n LEU 53 Ca -0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.24 2rpq n LEU 53 Cb 1.03 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 44.35 2rpq n LEU 53 CO 0.33 0.00 -0.22 -0.44 -0.00 0.00 0.00 177.39 177.06 2rpq s SER 54 N -0.13 5.73 0.53 1.45 0.01 -1.26 -4.89 113.70 115.15 2rpq s SER 54 Ca 0.00 -0.01 0.36 0.00 1.31 0.00 0.00 55.95 57.61 2rpq s SER 54 Cb 0.00 -2.03 1.78 0.00 0.21 0.00 0.00 66.02 65.98 2rpq s SER 54 CO 0.00 0.04 2.08 0.00 0.41 0.00 0.00 173.24 175.77 2rpq h MET 55 N 7.72 0.00 -0.01 12.44 -0.00 -1.89 -1.13 114.93 132.06 2rpq h MET 55 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 2rpq h MET 55 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2rpq h MET 55 CO 0.62 0.00 -0.19 2.89 -0.00 0.00 0.00 176.91 180.23 2rpq n ARG 56 N -2.85 1.12 0.11 -0.10 1.85 -1.26 -3.92 116.66 111.60 2rpq n ARG 56 Ca -0.01 -0.68 -0.22 0.00 -1.00 0.00 0.00 57.85 55.94 2rpq n ARG 56 Cb 0.14 -1.49 -0.15 0.00 -1.05 0.00 0.00 32.46 29.92 2rpq n ARG 56 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2rpq h GLN 57 N 1.66 0.42 -5.51 2.89 4.20 -1.50 -3.37 115.11 113.90 2rpq h GLN 57 Ca 0.00 -0.72 -0.51 0.00 0.06 0.00 0.00 58.65 57.48 2rpq h GLN 57 Cb 0.53 0.27 -0.28 0.00 0.30 0.00 0.00 27.48 28.30 2rpq h GLN 57 CO 0.00 1.33 -0.82 0.96 -0.67 0.00 0.00 178.83 179.63 2rpq s ILE 58 N -2.61 1.26 0.05 2.54 -5.25 -1.22 -0.95 121.20 115.02 2rpq s ILE 58 Ca -0.10 -0.81 0.01 0.00 -0.99 0.00 0.00 60.65 58.75 2rpq s ILE 58 Cb 0.05 -1.08 -0.03 0.00 2.95 0.00 0.00 42.46 44.36 2rpq s ILE 58 CO 0.90 0.25 -0.05 -0.13 -1.79 0.00 0.00 174.94 174.12 2rpq s ARG 59 N -0.65 0.55 -0.00 0.37 1.81 -0.87 -4.87 118.95 115.29 2rpq s ARG 59 Ca 0.05 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.09 2rpq s ARG 59 Cb -0.07 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.38 2rpq s ARG 59 CO 0.00 -0.04 0.04 -0.06 -0.68 0.00 0.00 175.30 174.56 2rpq s PHE 60 N -2.62 3.18 0.04 -0.53 0.08 -1.26 -0.69 117.98 116.17 2rpq s PHE 60 Ca -0.02 0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.24 2rpq s PHE 60 Cb -0.01 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 2rpq s PHE 60 CO -0.04 0.51 -0.19 1.03 -0.10 0.00 0.00 175.22 176.43 2rpq s ARG 61 N -1.63 1.24 -0.27 0.44 0.52 0.66 -2.06 118.95 117.85 2rpq s ARG 61 Ca 0.21 -0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2rpq s ARG 61 Cb -0.12 -1.32 0.04 0.00 0.52 0.00 0.00 34.95 34.08 2rpq s ARG 61 CO 0.12 0.33 -0.05 0.12 0.02 0.00 0.00 175.30 175.84 2rpq s PHE 62 N -0.82 3.19 -1.40 -0.53 5.36 0.39 -2.25 117.98 121.93 2rpq s PHE 62 Ca 0.06 -1.90 -0.01 0.00 -0.96 0.00 0.00 56.93 54.12 2rpq s PHE 62 Cb -0.08 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 2rpq s PHE 62 CO 0.02 -0.80 0.42 -3.47 -1.46 0.00 0.00 175.22 169.92 2rpq n ASP 63 N 4.59 -0.44 0.00 6.13 2.03 -1.26 -1.31 116.55 126.28 2rpq n ASP 63 Ca -0.15 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.15 2rpq n ASP 63 Cb 0.44 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.82 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rpq n GLY 64 N -1.99 0.92 3.30 0.27 0.00 -1.26 -5.04 105.19 101.38 2rpq n GLY 64 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2rpq n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rpq s GLN 65 N -0.09 2.83 0.18 1.61 -0.21 -0.43 -5.09 119.66 118.46 2rpq s GLN 65 Ca 0.00 -0.84 -0.32 0.00 0.02 0.00 0.00 55.36 54.22 2rpq s GLN 65 Cb 0.00 -2.31 -0.16 0.00 1.00 0.00 0.00 33.01 31.55 2rpq s GLN 65 CO 0.00 0.32 1.11 -2.30 -2.12 0.00 0.00 175.29 172.31 2rpq n PRO 66 N 3.13 1.10 -4.35 2.91 -0.02 -1.26 -0.46 135.00 136.06 2rpq n PRO 66 Ca -0.18 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.43 2rpq n PRO 66 Cb 0.52 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 2rpq n PRO 66 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2rpq s ILE 67 N -0.32 2.88 0.26 4.25 -4.36 -0.87 -4.79 121.20 118.23 2rpq s ILE 67 Ca 0.72 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 59.32 2rpq s ILE 67 Cb -0.85 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 2rpq s ILE 67 CO 0.53 -0.14 0.28 0.20 0.24 0.00 0.00 174.94 176.05 2rpq s ASN 68 N -2.86 5.84 0.49 4.36 0.01 -1.26 -4.61 114.94 116.91 2rpq s ASN 68 Ca 0.24 -0.14 0.19 0.00 -0.71 0.00 0.00 52.86 52.45 2rpq s ASN 68 Cb -0.08 -1.55 1.23 0.00 0.41 0.00 0.00 41.25 41.26 2rpq s ASN 68 CO 0.14 -0.08 2.06 -0.33 -1.51 0.00 0.00 177.10 177.37 2rpq h GLU 69 N 1.33 0.00 -0.02 -0.60 5.08 -1.99 -2.33 114.58 116.05 2rpq h GLU 69 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2rpq h GLU 69 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2rpq h GLU 69 CO 0.60 0.13 -0.02 2.41 -1.00 0.00 0.00 179.01 181.14 2rpq n THR 70 N -4.12 0.00 -0.96 1.13 -1.04 -1.26 -3.38 114.28 104.64 2rpq n THR 70 Ca -0.02 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.39 2rpq n THR 70 Cb 0.21 0.72 0.23 0.00 -1.82 0.00 0.00 70.33 69.67 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2rpq s ASP 71 N -2.03 1.16 0.11 8.00 1.01 -0.88 -5.02 116.67 119.01 2rpq s ASP 71 Ca 0.35 0.91 0.06 0.00 0.71 0.00 0.00 52.55 54.59 2rpq s ASP 71 Cb 0.21 -1.36 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 2rpq s ASP 71 CO 0.34 -4.01 -0.05 0.42 0.21 0.00 0.00 175.17 172.08 2rpq s THR 72 N -2.85 3.67 0.45 -1.27 -4.23 -1.26 -4.64 115.64 105.51 2rpq s THR 72 Ca 0.69 -1.18 0.13 0.00 -1.18 0.00 0.00 61.69 60.15 2rpq s THR 72 Cb -0.15 -2.75 0.30 0.00 1.34 0.00 0.00 72.50 71.25 2rpq s THR 72 CO 0.58 0.09 2.03 -0.65 -0.54 0.00 0.00 174.62 176.13 2rpq h PRO 73 N 3.43 0.36 -0.30 3.99 0.11 -1.95 -2.74 132.00 134.90 2rpq h PRO 73 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2rpq h PRO 73 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2rpq h PRO 73 CO 0.56 0.24 0.02 0.00 -0.21 0.00 0.00 178.00 178.61 2rpq h ALA 74 N 1.76 0.40 -0.26 -0.75 0.00 -1.95 -0.05 119.26 118.42 2rpq h ALA 74 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2rpq h ALA 74 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2rpq h ALA 74 CO -0.05 0.12 -0.21 1.96 0.00 0.00 0.00 179.25 181.08 2rpq h GLN 75 N 0.31 0.47 -0.01 0.00 4.20 -1.94 -2.70 115.11 115.45 2rpq h GLN 75 Ca 0.09 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2rpq h GLN 75 Cb 0.39 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2rpq h GLN 75 CO 0.01 0.65 -0.39 -0.11 -0.67 0.00 0.00 178.83 178.32 2rpq n LEU 76 N -4.15 1.51 -3.53 1.46 7.94 -1.05 -5.00 117.00 114.18 2rpq n LEU 76 Ca -0.00 -0.51 -0.21 0.00 -1.11 0.00 0.00 56.01 54.18 2rpq n LEU 76 Cb 0.37 -0.06 0.08 0.00 0.53 0.00 0.00 43.42 44.34 2rpq n LEU 76 CO 0.41 0.28 0.16 -0.62 -1.11 0.00 0.00 177.39 176.52 2rpq n GLU 77 N -0.38 -7.10 -2.04 1.96 1.02 -0.34 -4.96 120.64 108.79 2rpq n GLU 77 Ca 0.10 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.65 2rpq n GLU 77 Cb 0.41 -5.83 -0.02 0.00 -0.02 0.00 0.00 31.44 25.97 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2rpq s MET 78 N -5.85 4.29 0.14 3.49 -1.94 -0.18 -4.99 119.30 114.26 2rpq s MET 78 Ca 0.28 2.28 -0.02 0.00 -1.71 0.00 0.00 55.69 56.52 2rpq s MET 78 Cb -0.12 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.62 2rpq s MET 78 CO 0.74 -0.37 0.21 0.39 -0.01 0.00 0.00 175.02 175.97 2rpq n GLU 79 N 2.04 0.30 0.15 2.03 1.02 -1.26 -4.95 120.64 119.97 2rpq n GLU 79 Ca 0.05 -1.06 0.18 0.00 -0.02 0.00 0.00 57.16 56.31 2rpq n GLU 79 Cb 0.41 1.06 0.78 0.00 -0.02 0.00 0.00 31.44 33.66 2rpq n GLU 79 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2rpq h ASP 80 N 0.77 0.00 -2.32 1.62 2.03 -1.94 -3.12 116.42 113.46 2rpq h ASP 80 Ca -0.11 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.64 2rpq h ASP 80 Cb 0.47 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.60 2rpq h ASP 80 CO 0.15 0.00 -0.90 -1.61 -1.03 0.00 0.00 179.24 175.84 2rpq s GLU 81 N -4.73 0.80 0.51 4.15 2.02 -1.08 -0.78 118.70 119.59 2rpq s GLU 81 Ca -0.05 -1.78 -0.07 0.00 0.02 0.00 0.00 54.97 53.09 2rpq s GLU 81 Cb 0.16 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 2rpq s GLU 81 CO 0.59 -1.33 0.84 0.34 0.02 0.00 0.00 175.26 175.72 2rpq s ASP 82 N 0.44 6.28 -0.08 -0.19 2.15 -0.83 -4.93 116.67 119.50 2rpq s ASP 82 Ca 0.28 1.05 0.02 0.00 0.43 0.00 0.00 52.55 54.33 2rpq s ASP 82 Cb -0.04 -2.30 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 2rpq s ASP 82 CO -0.13 -0.63 -0.13 -0.89 -0.17 0.00 0.00 175.17 173.22 2rpq s THR 83 N -2.81 1.25 -0.02 1.71 2.01 -1.26 -0.58 115.64 115.95 2rpq s THR 83 Ca 0.49 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.04 2rpq s THR 83 Cb -0.10 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2rpq s THR 83 CO 0.46 0.39 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.92 2rpq s ILE 84 N 0.80 2.36 0.02 1.82 1.01 -0.01 -4.98 121.20 122.22 2rpq s ILE 84 Ca -0.12 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.52 2rpq s ILE 84 Cb -0.15 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2rpq s ILE 84 CO 0.02 0.55 -0.06 -1.81 0.00 0.00 0.00 174.94 173.63 2rpq s ASP 85 N -0.76 4.67 -0.08 3.58 1.01 -0.95 -0.46 116.67 123.67 2rpq s ASP 85 Ca 0.11 -0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.19 2rpq s ASP 85 Cb -0.10 -1.08 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 2rpq s ASP 85 CO 0.00 0.26 -0.03 0.54 0.21 0.00 0.00 175.17 176.15 2rpq s VAL 86 N -1.06 4.03 -0.06 -1.27 0.11 -0.25 -0.24 120.40 121.65 2rpq s VAL 86 Ca 0.19 -0.35 0.06 0.00 -2.93 0.00 0.00 61.98 58.94 2rpq s VAL 86 Cb -0.11 -2.67 -0.01 0.00 -1.53 0.00 0.00 36.38 32.05 2rpq s VAL 86 CO 0.10 0.60 -0.24 0.12 -3.33 0.00 0.00 175.10 172.35 2rpq s PHE 87 N -0.82 2.48 -0.22 1.54 5.36 0.13 -4.27 117.98 122.17 2rpq s PHE 87 Ca 0.12 -0.69 -0.27 0.00 -0.96 0.00 0.00 56.93 55.13 2rpq s PHE 87 Cb -0.11 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 2rpq s PHE 87 CO 0.02 -0.19 0.95 -1.14 -1.46 0.00 0.00 175.22 173.40 2rpq s GLN 88 N -0.17 4.25 0.00 10.12 2.00 -1.26 -2.06 119.66 132.54 2rpq s GLN 88 Ca -0.03 1.20 0.00 0.00 -2.00 0.00 0.00 55.36 54.52 2rpq s GLN 88 Cb -0.14 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.04 2rpq s GLN 88 CO 0.04 -0.55 0.00 1.04 -0.50 0.00 0.00 175.29 175.31 2rpq n GLN 89 N 6.06 3.09 -3.61 1.67 1.13 -0.13 -4.78 117.38 120.82 2rpq n GLN 89 Ca 0.09 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.93 2rpq n GLN 89 Cb 0.47 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.89 2rpq n GLN 89 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2rpq n GLN 90 N 0.00 -6.68 -1.89 -1.09 1.13 -1.26 -4.96 117.38 102.63 2rpq n GLN 90 Ca 0.00 0.77 -0.38 0.00 -1.94 0.00 0.00 57.00 55.45 2rpq n GLN 90 Cb 0.00 -5.71 0.03 0.00 0.11 0.00 0.00 30.24 24.68 2rpq n GLN 90 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2rpq s THR 91 N -3.39 2.33 0.00 5.09 -4.23 -1.26 -5.06 115.64 109.12 2rpq s THR 91 Ca 0.32 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2rpq s THR 91 Cb -0.15 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2rpq s THR 91 CO 0.76 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 2rpq n GLY 92 N 0.66 1.63 0.00 3.99 0.00 -1.26 -5.31 105.19 104.90 2rpq n GLY 92 Ca 0.11 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93