#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 0.30 -2.81 3.04 0.00 -2.08 -3.44 119.26 114.26 2rpq h ALA 2 Ca 0.00 -0.28 -0.51 0.00 0.00 0.00 0.00 54.91 54.12 2rpq h ALA 2 Cb 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 17.76 2rpq h ALA 2 CO 0.00 0.11 0.54 -0.51 0.00 0.00 0.00 179.25 179.40 2rpq s ASP 3 N -6.07 6.87 -0.08 0.00 1.01 -1.26 -4.97 116.67 112.16 2rpq s ASP 3 Ca -0.14 2.45 -0.07 0.00 0.71 0.00 0.00 52.55 55.50 2rpq s ASP 3 Cb 0.07 -2.63 -0.28 0.00 1.01 0.00 0.00 42.92 41.08 2rpq s ASP 3 CO 0.76 -0.44 0.55 -0.33 0.21 0.00 0.00 175.17 175.91 2rpq h GLU 4 N 3.30 0.31 -6.97 8.23 5.08 -2.09 -3.47 114.58 118.97 2rpq h GLU 4 Ca -0.48 -0.52 -0.53 0.00 -1.00 0.00 0.00 59.36 56.83 2rpq h GLU 4 Cb 1.22 0.20 0.09 0.00 0.50 0.00 0.00 28.75 30.76 2rpq h GLU 4 CO 0.65 1.22 0.61 -1.59 -1.00 0.00 0.00 179.01 178.90 2rpq s LYS 5 N -2.57 3.79 0.60 2.33 -2.85 -1.26 -5.00 119.74 114.78 2rpq s LYS 5 Ca -0.18 2.16 -0.15 0.00 -1.00 0.00 0.00 55.97 56.81 2rpq s LYS 5 Cb 0.06 -2.64 -0.04 0.00 -2.06 0.00 0.00 37.83 33.16 2rpq s LYS 5 CO 0.81 -0.64 1.05 -1.25 0.10 0.00 0.00 175.35 175.42 2rpq s PRO 6 N -2.41 3.36 0.58 1.78 0.04 -1.26 -5.02 135.00 132.06 2rpq s PRO 6 Ca 0.60 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 2rpq s PRO 6 Cb -0.38 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2rpq s PRO 6 CO 0.48 -0.77 1.19 0.15 0.04 0.00 0.00 177.00 178.09 2rpq s LYS 7 N -4.25 3.07 -0.04 4.56 1.02 -1.26 -5.06 119.74 117.79 2rpq s LYS 7 Ca 0.62 1.79 0.05 0.00 0.02 0.00 0.00 55.97 58.45 2rpq s LYS 7 Cb -0.15 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 2rpq s LYS 7 CO 0.39 -1.12 -0.20 -2.00 -0.92 0.00 0.00 175.35 171.51 2rpq s GLU 8 N -3.29 1.90 0.00 1.68 2.12 -1.26 -4.74 118.70 115.11 2rpq s GLU 8 Ca 0.76 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2rpq s GLU 8 Cb -0.29 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.40 2rpq s GLU 8 CO 0.32 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2rpq n GLY 9 N 2.92 0.87 0.26 -1.50 0.00 -0.03 -4.88 105.19 102.83 2rpq n GLY 9 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2rpq n GLY 9 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rpq h VAL 10 N 0.00 1.28 0.00 1.61 2.07 -2.01 -3.41 116.25 115.79 2rpq h VAL 10 Ca 0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2rpq h VAL 10 Cb 0.00 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2rpq h VAL 10 CO 0.00 0.46 -0.81 1.17 0.02 0.00 0.00 177.57 178.41 2rpq n LYS 11 N -4.20 0.00 -3.65 1.57 4.81 -1.26 -5.12 118.16 110.31 2rpq n LYS 11 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.32 2rpq n LYS 11 Cb 0.44 -0.75 -0.04 0.00 0.02 0.00 0.00 35.03 34.69 2rpq n LYS 11 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2rpq s THR 12 N -1.87 0.06 0.54 3.15 -4.23 -1.26 -5.16 115.64 106.86 2rpq s THR 12 Ca 0.00 -0.61 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 2rpq s THR 12 Cb 0.00 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.55 2rpq s THR 12 CO 0.00 -0.29 1.11 -1.83 -0.54 0.00 0.00 174.62 173.07 2rpq s GLU 13 N -3.82 3.43 0.29 3.99 1.03 -1.26 -0.85 118.70 121.52 2rpq s GLU 13 Ca 0.04 1.54 0.08 0.00 0.03 0.00 0.00 54.97 56.66 2rpq s GLU 13 Cb 0.01 -2.02 -0.03 0.00 -0.80 0.00 0.00 34.13 31.29 2rpq s GLU 13 CO -0.11 -0.77 0.19 -0.80 -1.33 0.00 0.00 175.26 172.44 2rpq s ASN 14 N -1.87 5.19 -0.13 0.83 0.01 -1.26 -4.92 114.94 112.79 2rpq s ASN 14 Ca 0.71 -0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 2rpq s ASN 14 Cb -0.22 -1.09 0.04 0.00 0.41 0.00 0.00 41.25 40.39 2rpq s ASN 14 CO 0.26 -0.17 0.01 0.20 -1.51 0.00 0.00 177.10 175.89 2rpq s ASN 15 N -3.87 2.19 0.19 -1.22 0.01 -1.26 -5.13 114.94 105.85 2rpq s ASN 15 Ca 0.36 -0.41 -0.21 0.00 -0.71 0.00 0.00 52.86 51.89 2rpq s ASN 15 Cb -0.06 -0.54 0.05 0.00 0.41 0.00 0.00 41.25 41.11 2rpq s ASN 15 CO 0.24 -0.24 0.60 -0.62 -1.51 0.00 0.00 177.10 175.58 2rpq s ASP 16 N 1.90 -0.43 0.25 -1.22 2.15 -1.26 -5.16 116.67 112.91 2rpq s ASP 16 Ca 0.03 -0.23 0.06 0.00 0.43 0.00 0.00 52.55 52.84 2rpq s ASP 16 Cb -0.14 0.62 -0.05 0.00 -0.30 0.00 0.00 42.92 43.04 2rpq s ASP 16 CO -0.07 -1.06 -0.08 -1.38 -0.17 0.00 0.00 175.17 172.42 2rpq s HIS 17 N -3.81 1.83 0.10 -5.34 -3.43 -1.26 -3.50 115.29 99.87 2rpq s HIS 17 Ca 0.05 -0.69 0.01 0.00 -0.80 0.00 0.00 55.06 53.63 2rpq s HIS 17 Cb -0.02 -0.99 -0.04 0.00 -1.43 0.00 0.00 32.58 30.10 2rpq s HIS 17 CO -0.07 0.26 -0.05 0.96 -2.00 0.00 0.00 174.74 173.84 2rpq s ILE 18 N -3.06 0.61 0.04 -5.38 -4.36 0.58 -4.93 121.20 104.71 2rpq s ILE 18 Ca 0.27 -1.92 0.08 0.00 -0.26 0.00 0.00 60.65 58.82 2rpq s ILE 18 Cb 0.03 -1.72 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 2rpq s ILE 18 CO 0.10 -0.83 -0.21 0.20 0.24 0.00 0.00 174.94 174.43 2rpq s ASN 19 N -3.04 3.55 0.08 4.36 0.01 -0.24 -0.79 114.94 118.87 2rpq s ASN 19 Ca 0.13 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 2rpq s ASN 19 Cb 0.06 -0.49 -0.03 0.00 0.41 0.00 0.00 41.25 41.20 2rpq s ASN 19 CO -0.04 0.26 -0.09 -1.48 -1.51 0.00 0.00 177.10 174.24 2rpq s LEU 20 N -1.34 2.38 0.10 0.60 2.34 -0.34 -1.59 118.68 120.83 2rpq s LEU 20 Ca 0.13 -0.77 0.10 0.00 0.06 0.00 0.00 54.13 53.66 2rpq s LEU 20 Cb -0.10 -0.22 -0.04 0.00 -0.56 0.00 0.00 46.19 45.27 2rpq s LEU 20 CO 0.04 -0.28 -0.27 -1.59 -1.06 0.00 0.00 176.35 173.19 2rpq s LYS 21 N -2.62 1.53 -0.16 1.48 -2.85 0.09 -0.29 119.74 116.92 2rpq s LYS 21 Ca 0.02 -1.28 0.02 0.00 -1.00 0.00 0.00 55.97 53.73 2rpq s LYS 21 Cb -0.03 -1.93 0.01 0.00 -2.06 0.00 0.00 37.83 33.82 2rpq s LYS 21 CO -0.01 0.47 -0.21 0.08 0.10 0.00 0.00 175.35 175.78 2rpq s VAL 22 N -0.98 2.06 -0.10 1.79 1.01 0.07 -0.92 120.40 123.33 2rpq s VAL 22 Ca 0.13 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2rpq s VAL 22 Cb -0.10 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2rpq s VAL 22 CO 0.05 0.55 -0.23 0.00 0.00 0.00 0.00 175.10 175.46 2rpq s ALA 23 N 1.01 2.20 0.30 5.51 0.00 -0.43 -2.16 121.76 128.20 2rpq s ALA 23 Ca -0.02 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2rpq s ALA 23 Cb -0.14 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2rpq s ALA 23 CO -0.07 0.29 0.30 0.41 0.00 0.00 0.00 175.76 176.70 2rpq n GLY 24 N 3.50 1.55 0.15 0.00 0.00 -0.68 -1.90 105.19 107.81 2rpq n GLY 24 Ca -0.19 -2.11 0.13 0.00 0.00 0.00 0.00 46.02 43.86 2rpq n GLY 24 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2rpq h GLN 25 N 0.00 0.00 -0.38 1.61 4.20 -1.89 -2.16 115.11 116.49 2rpq h GLN 25 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2rpq h GLN 25 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2rpq h GLN 25 CO 0.13 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 177.89 2rpq n ASP 26 N -2.46 3.44 0.00 1.46 5.68 -1.26 -4.96 116.55 118.45 2rpq n ASP 26 Ca 0.04 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 2rpq n ASP 26 Cb 0.37 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rpq n GLY 27 N 1.46 0.75 3.73 6.12 0.00 -0.81 -5.04 105.19 111.39 2rpq n GLY 27 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.49 6.92 -0.02 1.61 0.01 -1.26 -4.79 113.70 113.68 2rpq s SER 28 Ca 0.00 2.32 0.03 0.00 1.31 0.00 0.00 55.95 59.61 2rpq s SER 28 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 2rpq s SER 28 CO 0.00 -0.54 -0.12 0.54 0.41 0.00 0.00 173.24 173.53 2rpq s VAL 29 N 0.50 1.02 -0.02 3.43 0.11 -1.26 -1.68 120.40 122.49 2rpq s VAL 29 Ca 0.59 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 2rpq s VAL 29 Cb -0.35 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2rpq s VAL 29 CO 0.35 0.30 -0.14 0.54 -3.33 0.00 0.00 175.10 172.82 2rpq s VAL 30 N -0.03 1.10 0.07 2.04 0.11 -0.92 -4.99 120.40 117.78 2rpq s VAL 30 Ca -0.00 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 2rpq s VAL 30 Cb -0.08 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2rpq s VAL 30 CO 0.00 0.32 -0.26 0.00 -3.33 0.00 0.00 175.10 171.83 2rpq s GLN 31 N -0.20 1.64 0.00 1.54 1.03 -1.26 -0.75 119.66 121.66 2rpq s GLN 31 Ca 0.03 -1.15 0.02 0.00 0.04 0.00 0.00 55.36 54.30 2rpq s GLN 31 Cb -0.07 -1.89 -0.01 0.00 0.03 0.00 0.00 33.01 31.08 2rpq s GLN 31 CO -0.00 0.48 -0.06 -0.06 -2.54 0.00 0.00 175.29 173.11 2rpq s PHE 32 N -0.87 0.52 -0.29 9.60 0.40 0.60 -4.97 117.98 122.97 2rpq s PHE 32 Ca 0.12 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.21 2rpq s PHE 32 Cb -0.10 -0.33 -0.00 0.00 0.51 0.00 0.00 43.02 43.10 2rpq s PHE 32 CO 0.03 -0.02 0.09 0.21 0.70 0.00 0.00 175.22 176.23 2rpq s LYS 33 N -0.38 3.24 0.04 0.44 2.20 -1.26 -1.19 119.74 122.83 2rpq s LYS 33 Ca 0.00 -0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 2rpq s LYS 33 Cb -0.03 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 2rpq s LYS 33 CO -0.00 -0.39 0.27 -1.50 -0.36 0.00 0.00 175.35 173.36 2rpq s ILE 34 N 1.55 0.09 0.42 5.43 2.07 0.03 -4.99 121.20 125.80 2rpq s ILE 34 Ca 0.04 -0.74 0.03 0.00 -1.41 0.00 0.00 60.65 58.57 2rpq s ILE 34 Cb -0.17 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.51 2rpq s ILE 34 CO 0.03 -0.41 0.61 -0.54 -1.91 0.00 0.00 174.94 172.73 2rpq s LYS 35 N -2.50 3.00 0.26 3.50 3.01 -1.26 -0.30 119.74 125.44 2rpq s LYS 35 Ca -0.05 -0.75 -0.03 0.00 -1.01 0.00 0.00 55.97 54.13 2rpq s LYS 35 Cb -0.01 -2.65 0.32 0.00 -1.01 0.00 0.00 37.83 34.48 2rpq s LYS 35 CO -0.03 -0.22 1.81 0.00 0.51 0.00 0.00 175.35 177.42 2rpq h ARG 36 N 0.53 0.96 0.00 1.68 3.08 -1.93 -3.00 114.38 115.71 2rpq h ARG 36 Ca -0.45 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.31 2rpq h ARG 36 Cb 1.26 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2rpq h ARG 36 CO 0.54 0.82 -0.87 1.25 -1.07 0.00 0.00 179.97 180.64 2rpq h HIS 37 N 0.93 0.00 -2.81 3.04 2.76 -1.95 -3.42 115.15 113.71 2rpq h HIS 37 Ca 0.21 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.85 2rpq h HIS 37 Cb 0.26 0.00 0.07 0.00 1.55 0.00 0.00 27.41 29.29 2rpq h HIS 37 CO 0.02 0.40 0.93 2.41 -1.30 0.00 0.00 177.93 180.39 2rpq n THR 38 N -3.00 0.36 -1.13 6.26 -1.04 -1.13 -4.87 114.28 109.73 2rpq n THR 38 Ca -0.02 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.59 2rpq n THR 38 Cb 0.72 -1.91 0.12 0.00 -1.82 0.00 0.00 70.33 67.45 2rpq n THR 38 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2rpq s PRO 39 N 0.56 1.61 0.47 -2.82 0.04 -1.26 -4.46 135.00 129.13 2rpq s PRO 39 Ca 0.72 1.10 0.23 0.00 0.04 0.00 0.00 61.00 63.09 2rpq s PRO 39 Cb -0.53 -1.83 1.17 0.00 0.04 0.00 0.00 34.50 33.36 2rpq s PRO 39 CO 0.39 -2.08 1.96 1.37 0.04 0.00 0.00 177.00 178.68 2rpq h LEU 40 N -1.44 0.00 -1.99 -3.56 8.10 -1.75 -2.56 115.31 112.10 2rpq h LEU 40 Ca -0.46 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.72 2rpq h LEU 40 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.45 2rpq h LEU 40 CO 0.51 0.20 0.51 0.77 -4.11 0.00 0.00 178.44 176.31 2rpq h SER 41 N 0.00 0.00 -0.17 0.17 4.64 -1.85 -2.60 113.55 113.73 2rpq h SER 41 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2rpq h SER 41 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2rpq h SER 41 CO 0.03 0.00 -0.39 0.50 -0.87 0.00 0.00 176.83 176.10 2rpq h LYS 42 N 0.00 0.56 -0.06 4.77 1.63 -1.82 -0.08 116.57 121.58 2rpq h LYS 42 Ca 0.32 -0.38 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 2rpq h LYS 42 Cb 1.33 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 2rpq h LYS 42 CO -0.00 0.99 -0.38 1.37 -3.45 0.00 0.00 179.45 177.98 2rpq h LEU 43 N 0.22 0.12 -0.60 5.20 -0.00 -1.73 -1.63 115.31 116.88 2rpq h LEU 43 Ca 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2rpq h LEU 43 Cb 0.99 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.59 2rpq h LEU 43 CO 0.08 0.49 0.32 -0.03 -0.00 0.00 0.00 178.44 179.31 2rpq h MET 44 N 0.10 0.83 -0.34 0.17 4.05 -1.06 0.15 114.93 118.83 2rpq h MET 44 Ca 0.01 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 2rpq h MET 44 Cb 0.72 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2rpq h MET 44 CO 0.05 0.64 -0.22 -0.22 0.23 0.00 0.00 176.91 177.39 2rpq h LYS 45 N 0.81 0.67 -0.42 0.39 3.64 -0.96 -2.42 116.57 118.28 2rpq h LYS 45 Ca 0.21 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2rpq h LYS 45 Cb 0.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2rpq h LYS 45 CO -0.03 0.83 0.13 0.00 -2.27 0.00 0.00 179.45 178.11 2rpq h ALA 46 N 1.17 1.45 -0.63 5.00 0.00 -0.91 0.31 119.26 125.65 2rpq h ALA 46 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2rpq h ALA 46 Cb 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2rpq h ALA 46 CO 0.05 0.41 0.35 -0.92 0.00 0.00 0.00 179.25 179.14 2rpq h TYR 47 N 0.59 0.87 -0.56 0.00 3.20 -0.56 -0.29 116.97 120.22 2rpq h TYR 47 Ca 0.14 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2rpq h TYR 47 Cb 0.18 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2rpq h TYR 47 CO 0.01 0.62 0.31 0.00 -1.64 0.00 0.00 178.16 177.46 2rpq h GLU 49 N 0.76 -0.21 0.11 0.00 4.39 -0.74 -1.71 114.58 117.17 2rpq h GLU 49 Ca 0.20 0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.70 2rpq h GLU 49 Cb 0.04 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2rpq h GLU 49 CO -0.03 -0.05 -0.88 -0.09 -1.16 0.00 0.00 179.01 176.80 2rpq h ARG 50 N -0.34 0.41 -0.19 2.33 2.43 -1.07 -3.37 114.38 114.58 2rpq h ARG 50 Ca -0.02 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 2rpq h ARG 50 Cb 0.27 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2rpq h ARG 50 CO 0.04 1.25 0.00 1.04 -1.51 0.00 0.00 179.97 180.78 2rpq n GLN 51 N -4.06 1.70 -0.85 0.20 1.13 0.05 -4.99 117.38 110.56 2rpq n GLN 51 Ca -0.13 -1.67 0.00 0.00 -1.94 0.00 0.00 57.00 53.26 2rpq n GLN 51 Cb 0.83 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.90 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 0.75 0.75 3.84 1.08 0.00 -0.65 -4.95 105.19 106.01 2rpq n GLY 52 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2rpq n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rpq s LEU 53 N 0.00 3.07 -0.17 0.99 1.43 -1.22 -4.98 118.68 117.80 2rpq s LEU 53 Ca 0.00 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.51 2rpq s LEU 53 Cb 0.00 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2rpq s LEU 53 CO 0.00 -1.36 0.09 -0.44 0.23 0.00 0.00 176.35 174.87 2rpq s SER 54 N -3.95 5.88 0.51 2.29 0.01 -1.26 -4.40 113.70 112.78 2rpq s SER 54 Ca 0.58 0.18 0.34 0.00 1.31 0.00 0.00 55.95 58.35 2rpq s SER 54 Cb -0.13 -1.99 1.56 0.00 0.21 0.00 0.00 66.02 65.67 2rpq s SER 54 CO 0.54 0.22 2.01 0.00 0.41 0.00 0.00 173.24 176.42 2rpq h MET 55 N 6.38 0.00 -0.00 12.44 -0.00 -1.91 -1.22 114.93 130.62 2rpq h MET 55 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 2rpq h MET 55 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 2rpq h MET 55 CO 0.70 0.00 -0.25 2.89 -0.00 0.00 0.00 176.91 180.25 2rpq n ARG 56 N -2.85 0.15 0.07 -0.10 1.85 -1.26 -3.78 116.66 110.73 2rpq n ARG 56 Ca -0.00 -0.06 -0.13 0.00 -1.00 0.00 0.00 57.85 56.66 2rpq n ARG 56 Cb 0.21 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.98 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 0.14 0.16 -6.49 2.89 1.08 -1.64 -3.45 115.11 107.81 2rpq h GLN 57 Ca 0.00 -0.27 -0.64 0.00 -1.45 0.00 0.00 58.65 56.29 2rpq h GLN 57 Cb 0.48 0.10 -0.15 0.00 -0.05 0.00 0.00 27.48 27.86 2rpq h GLN 57 CO 0.00 1.06 -0.73 0.96 -0.95 0.00 0.00 178.83 179.18 2rpq s ILE 58 N -2.66 3.29 0.05 2.54 -4.36 -1.22 -1.31 121.20 117.54 2rpq s ILE 58 Ca -0.04 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 2rpq s ILE 58 Cb 0.08 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 2rpq s ILE 58 CO 0.85 -0.02 -0.05 -0.13 0.24 0.00 0.00 174.94 175.82 2rpq s ARG 59 N -2.60 0.58 0.08 0.37 1.81 -0.40 -4.87 118.95 113.92 2rpq s ARG 59 Ca 0.24 -0.98 0.06 0.00 -1.72 0.00 0.00 55.73 53.32 2rpq s ARG 59 Cb -0.10 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.29 2rpq s ARG 59 CO 0.15 -0.03 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.62 2rpq s PHE 60 N -2.57 2.84 0.16 -0.53 0.08 -1.26 -1.23 117.98 115.47 2rpq s PHE 60 Ca -0.02 -0.09 0.05 0.00 0.12 0.00 0.00 56.93 56.99 2rpq s PHE 60 Cb -0.02 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2rpq s PHE 60 CO -0.04 0.43 -0.12 1.03 -0.10 0.00 0.00 175.22 176.43 2rpq s ARG 61 N -2.05 1.11 -0.06 0.44 0.52 0.55 -2.74 118.95 116.72 2rpq s ARG 61 Ca 0.22 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 2rpq s ARG 61 Cb -0.11 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.62 2rpq s ARG 61 CO 0.13 0.11 -0.04 0.12 0.02 0.00 0.00 175.30 175.65 2rpq s PHE 62 N -3.09 0.85 -1.54 -0.53 5.36 -0.41 -2.20 117.98 116.42 2rpq s PHE 62 Ca 0.17 -0.28 -0.09 0.00 -0.96 0.00 0.00 56.93 55.77 2rpq s PHE 62 Cb 0.01 -0.79 0.08 0.00 -0.34 0.00 0.00 43.02 41.97 2rpq s PHE 62 CO 0.02 -0.27 0.64 -3.47 -1.46 0.00 0.00 175.22 170.68 2rpq n ASP 63 N 4.46 -2.09 0.00 6.13 -0.08 -1.26 -1.21 116.55 122.50 2rpq n ASP 63 Ca -0.18 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.12 2rpq n ASP 63 Cb 0.51 -3.05 0.00 0.00 2.34 0.00 0.00 41.12 40.91 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rpq n GLY 64 N -1.71 0.56 3.38 0.27 0.00 -1.26 -5.03 105.19 101.40 2rpq n GLY 64 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2rpq n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rpq s GLN 65 N -0.25 1.53 0.51 1.61 -2.07 -0.35 -5.13 119.66 115.51 2rpq s GLN 65 Ca 0.00 -1.27 -0.20 0.00 -1.82 0.00 0.00 55.36 52.06 2rpq s GLN 65 Cb 0.00 -1.93 -0.07 0.00 -1.09 0.00 0.00 33.01 29.92 2rpq s GLN 65 CO 0.00 0.47 1.09 -1.25 -1.32 0.00 0.00 175.29 174.28 2rpq s PRO 66 N -1.81 3.59 -0.01 9.60 0.04 -1.26 -1.29 135.00 143.86 2rpq s PRO 66 Ca 0.13 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.76 2rpq s PRO 66 Cb -0.10 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2rpq s PRO 66 CO 0.05 -0.64 -0.25 0.96 0.04 0.00 0.00 177.00 177.16 2rpq s ILE 67 N -1.84 2.00 0.32 0.56 -4.36 -1.11 -4.79 121.20 111.97 2rpq s ILE 67 Ca 0.70 -1.11 0.07 0.00 -0.26 0.00 0.00 60.65 60.05 2rpq s ILE 67 Cb -0.21 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 2rpq s ILE 67 CO 0.24 0.54 0.38 0.20 0.24 0.00 0.00 174.94 176.55 2rpq s ASN 68 N -0.65 5.75 0.19 4.36 0.02 -1.26 -4.65 114.94 118.70 2rpq s ASN 68 Ca 0.10 -0.27 0.24 0.00 -1.02 0.00 0.00 52.86 51.91 2rpq s ASN 68 Cb -0.10 -1.22 0.91 0.00 0.02 0.00 0.00 41.25 40.86 2rpq s ASN 68 CO -0.01 -0.34 1.74 -0.62 0.02 0.00 0.00 177.10 177.89 2rpq n GLU 69 N -1.49 0.19 -0.05 -0.60 1.02 -1.26 -1.25 120.64 117.20 2rpq n GLU 69 Ca -0.02 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 2rpq n GLU 69 Cb 0.59 -1.78 0.25 0.00 -0.02 0.00 0.00 31.44 30.47 2rpq n GLU 69 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2rpq n THR 70 N -2.12 0.12 -2.05 2.62 -1.04 -1.26 -3.95 114.28 106.61 2rpq n THR 70 Ca 0.04 -0.48 -0.28 0.00 -2.04 0.00 0.00 64.05 61.29 2rpq n THR 70 Cb 0.32 1.06 0.10 0.00 -1.82 0.00 0.00 70.33 69.99 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 -1.85 4.33 0.12 8.00 1.01 -0.38 -4.99 116.67 122.91 2rpq s ASP 71 Ca 0.33 0.51 -0.10 0.00 0.71 0.00 0.00 52.55 54.00 2rpq s ASP 71 Cb 0.21 -0.96 -0.00 0.00 1.01 0.00 0.00 42.92 43.18 2rpq s ASP 71 CO 0.31 -1.96 0.25 0.42 0.21 0.00 0.00 175.17 174.40 2rpq s THR 72 N -3.50 0.10 0.44 -1.27 -4.23 -1.26 -3.15 115.64 102.76 2rpq s THR 72 Ca 0.64 -1.20 0.14 0.00 -1.18 0.00 0.00 61.69 60.09 2rpq s THR 72 Cb -0.09 -1.53 0.33 0.00 1.34 0.00 0.00 72.50 72.55 2rpq s THR 72 CO 0.48 -0.47 1.98 -0.65 -0.54 0.00 0.00 174.62 175.42 2rpq h PRO 73 N 2.62 0.39 -0.18 3.99 0.11 -1.81 -1.45 132.00 135.67 2rpq h PRO 73 Ca -0.33 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 2rpq h PRO 73 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2rpq h PRO 73 CO 0.52 0.26 -0.12 0.00 -0.21 0.00 0.00 178.00 178.45 2rpq h ALA 74 N 1.69 0.26 -0.25 -0.75 0.00 -1.91 -1.16 119.26 117.13 2rpq h ALA 74 Ca 0.28 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2rpq h ALA 74 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2rpq h ALA 74 CO -0.08 0.11 -0.55 1.96 0.00 0.00 0.00 179.25 180.69 2rpq h GLN 75 N 0.07 0.77 -0.00 0.00 4.20 -1.93 -3.11 115.11 115.10 2rpq h GLN 75 Ca 0.04 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2rpq h GLN 75 Cb 0.62 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2rpq h GLN 75 CO 0.03 1.11 -0.56 -0.11 -0.67 0.00 0.00 178.83 178.63 2rpq n LEU 76 N -3.99 0.87 -2.99 1.46 -0.00 -0.56 -4.97 117.00 106.81 2rpq n LEU 76 Ca -0.04 -0.24 -0.18 0.00 -0.00 0.00 0.00 56.01 55.56 2rpq n LEU 76 Cb 0.62 -0.14 0.07 0.00 -0.00 0.00 0.00 43.42 43.97 2rpq n LEU 76 CO 0.49 0.19 0.17 -0.62 -0.00 0.00 0.00 177.39 177.62 2rpq n GLU 77 N -1.19 -6.10 -1.86 1.96 1.02 -0.62 -5.00 120.64 108.84 2rpq n GLU 77 Ca 0.07 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.51 2rpq n GLU 77 Cb 0.35 -5.23 0.04 0.00 -0.02 0.00 0.00 31.44 26.58 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 -5.75 3.15 0.48 3.49 -1.94 -0.54 -5.03 119.30 113.17 2rpq s MET 78 Ca 0.32 2.13 0.03 0.00 -1.71 0.00 0.00 55.69 56.45 2rpq s MET 78 Cb -0.14 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 2rpq s MET 78 CO 0.59 -1.14 0.01 -1.21 -0.01 0.00 0.00 175.02 173.25 2rpq s GLU 79 N -2.95 2.13 0.58 2.03 2.02 -1.26 -4.91 118.70 116.33 2rpq s GLU 79 Ca 0.72 -2.32 0.28 0.00 0.02 0.00 0.00 54.97 53.67 2rpq s GLU 79 Cb -0.38 -1.52 1.54 0.00 0.10 0.00 0.00 34.13 33.87 2rpq s GLU 79 CO 0.44 -0.29 2.01 0.38 0.02 0.00 0.00 175.26 177.82 2rpq h ASP 80 N 1.47 0.00 -2.43 -0.19 2.03 -1.92 -2.81 116.42 112.58 2rpq h ASP 80 Ca -0.44 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.27 2rpq h ASP 80 Cb 1.30 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.40 2rpq h ASP 80 CO 0.75 0.00 -0.89 -0.62 -1.03 0.00 0.00 179.24 177.46 2rpq n GLU 81 N -3.88 0.84 -2.14 4.15 1.02 -1.16 -1.08 120.64 118.38 2rpq n GLU 81 Ca 0.05 -3.59 -0.29 0.00 -0.02 0.00 0.00 57.16 53.31 2rpq n GLU 81 Cb 0.50 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2rpq n GLU 81 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2rpq s ASP 82 N -0.73 6.10 -0.14 1.62 2.15 -0.62 -4.92 116.67 120.14 2rpq s ASP 82 Ca 0.32 1.18 -0.02 0.00 0.43 0.00 0.00 52.55 54.47 2rpq s ASP 82 Cb 0.06 -2.28 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2rpq s ASP 82 CO -0.16 -0.85 -0.00 -0.89 -0.17 0.00 0.00 175.17 173.10 2rpq s THR 83 N -3.05 0.61 -0.01 1.71 2.01 -1.26 -0.73 115.64 114.91 2rpq s THR 83 Ca 0.53 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.32 2rpq s THR 83 Cb -0.11 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2rpq s THR 83 CO 0.50 0.08 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.62 2rpq s ILE 84 N 1.85 2.02 -0.09 1.82 -1.09 -0.10 -4.99 121.20 120.63 2rpq s ILE 84 Ca 0.02 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 2rpq s ILE 84 Cb -0.15 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 2rpq s ILE 84 CO -0.07 0.53 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.48 2rpq s ASP 85 N -0.70 4.56 -0.14 3.58 2.15 -0.93 -1.31 116.67 123.88 2rpq s ASP 85 Ca 0.10 -0.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.97 2rpq s ASP 85 Cb -0.10 -1.28 -0.03 0.00 -0.30 0.00 0.00 42.92 41.21 2rpq s ASP 85 CO -0.00 0.31 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.59 2rpq s VAL 86 N -0.50 3.97 -0.04 1.11 1.01 -0.80 -0.33 120.40 124.82 2rpq s VAL 86 Ca 0.07 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.78 2rpq s VAL 86 Cb -0.12 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2rpq s VAL 86 CO 0.02 0.52 -0.25 0.12 0.00 0.00 0.00 175.10 175.51 2rpq s PHE 87 N 0.09 2.34 -0.27 5.22 5.36 -0.37 -4.40 117.98 125.95 2rpq s PHE 87 Ca -0.00 -0.59 -0.14 0.00 -0.96 0.00 0.00 56.93 55.24 2rpq s PHE 87 Cb -0.13 -1.53 -0.04 0.00 -0.34 0.00 0.00 43.02 40.98 2rpq s PHE 87 CO 0.03 -0.14 0.32 -1.14 -1.46 0.00 0.00 175.22 172.83 2rpq s GLN 88 N -0.34 4.01 -0.06 10.12 0.74 -1.26 -1.28 119.66 131.59 2rpq s GLN 88 Ca 0.02 -0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.15 2rpq s GLN 88 Cb -0.12 -3.65 -0.31 0.00 1.10 0.00 0.00 33.01 30.03 2rpq s GLN 88 CO 0.02 -0.23 0.88 1.96 -0.55 0.00 0.00 175.29 177.36 2rpq h GLN 89 N 8.16 0.27 -3.00 1.67 1.08 -1.54 -3.49 115.11 118.26 2rpq h GLN 89 Ca -0.33 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.41 2rpq h GLN 89 Cb 1.17 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 2rpq h GLN 89 CO 0.62 1.22 -0.45 0.94 -0.95 0.00 0.00 178.83 180.22 2rpq n GLN 90 N -4.17 -2.47 -4.57 1.46 0.00 -1.15 -5.08 117.38 101.40 2rpq n GLN 90 Ca -0.14 2.05 -0.28 0.00 -0.00 0.00 0.00 57.00 58.63 2rpq n GLN 90 Cb 0.79 -2.28 -0.14 0.00 0.00 0.00 0.00 30.24 28.61 2rpq n GLN 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2rpq s THR 91 N -0.26 2.09 -0.74 1.69 -4.23 -1.26 -5.02 115.64 107.91 2rpq s THR 91 Ca 0.00 -1.56 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 2rpq s THR 91 Cb 0.00 -1.83 0.28 0.00 1.34 0.00 0.00 72.50 72.29 2rpq s THR 91 CO 0.00 0.17 1.78 0.61 -0.54 0.00 0.00 174.62 176.64 2rpq n GLY 92 N 1.31 -1.65 0.00 3.99 0.00 -1.26 -5.12 105.19 102.45 2rpq n GLY 92 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93