#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 1.00 -0.12 -5.12 0.00 -2.12 -3.18 119.26 109.72 2rpq h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rpq h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rpq h ALA 2 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 2rpq n ASP 3 N -2.36 1.96 -1.33 0.00 5.75 -1.26 -5.06 116.55 114.26 2rpq n ASP 3 Ca 0.04 -1.70 0.16 0.00 -0.01 0.00 0.00 54.79 53.28 2rpq n ASP 3 Cb 0.34 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 2rpq n ASP 3 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2rpq n GLU 4 N 0.52 -2.73 -1.65 0.11 -0.58 -1.20 -4.92 120.64 110.19 2rpq n GLU 4 Ca 0.17 2.03 -0.34 0.00 -0.42 0.00 0.00 57.16 58.61 2rpq n GLU 4 Cb 0.40 -3.33 0.07 0.00 -0.57 0.00 0.00 31.44 28.01 2rpq n GLU 4 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2rpq s LYS 5 N -3.22 2.52 0.08 3.49 3.01 -1.26 -4.55 119.74 119.81 2rpq s LYS 5 Ca 0.00 1.61 -0.36 0.00 -1.01 0.00 0.00 55.97 56.21 2rpq s LYS 5 Cb 0.00 -1.90 -0.18 0.00 -1.01 0.00 0.00 37.83 34.75 2rpq s LYS 5 CO 0.00 -1.51 1.12 -2.30 0.51 0.00 0.00 175.35 173.17 2rpq n PRO 6 N -2.43 0.60 -2.05 -1.68 -0.02 -1.26 -4.88 135.00 123.27 2rpq n PRO 6 Ca 0.12 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2rpq n PRO 6 Cb 0.51 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.03 4.27 -0.12 -0.52 -2.85 -1.26 -4.96 119.74 114.27 2rpq s LYS 7 Ca 0.83 2.23 -0.22 0.00 -1.00 0.00 0.00 55.97 57.81 2rpq s LYS 7 Cb -1.05 -3.18 -0.19 0.00 -2.06 0.00 0.00 37.83 31.35 2rpq s LYS 7 CO 0.53 -0.49 0.60 1.49 0.10 0.00 0.00 175.35 177.58 2rpq h GLU 8 N 6.42 -0.01 -2.84 1.78 4.81 -2.05 -3.48 114.58 119.21 2rpq h GLU 8 Ca -0.43 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.38 2rpq h GLU 8 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2rpq h GLU 8 CO 0.86 0.71 -0.52 0.41 -0.73 0.00 0.00 179.01 179.74 2rpq n GLY 9 N 1.56 -0.28 3.33 1.92 0.00 -1.26 -4.99 105.19 105.47 2rpq n GLY 9 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2rpq n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rpq s VAL 10 N -3.01 2.21 0.39 1.61 0.11 -1.26 -5.11 120.40 115.34 2rpq s VAL 10 Ca 0.00 -1.04 -0.27 0.00 -2.93 0.00 0.00 61.98 57.74 2rpq s VAL 10 Cb 0.00 -1.79 -0.11 0.00 -1.53 0.00 0.00 36.38 32.96 2rpq s VAL 10 CO 0.00 0.58 1.43 2.29 -3.33 0.00 0.00 175.10 176.07 2rpq n LYS 11 N 2.54 2.46 0.00 1.54 2.85 -1.26 -4.94 118.16 121.34 2rpq n LYS 11 Ca -0.16 0.87 0.03 0.00 -1.05 0.00 0.00 58.31 57.99 2rpq n LYS 11 Cb 0.51 -2.59 0.02 0.00 -0.65 0.00 0.00 35.03 32.32 2rpq n LYS 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2rpq n THR 12 N 0.25 0.00 -3.45 0.58 -2.24 -1.26 -5.04 114.28 103.12 2rpq n THR 12 Ca 0.03 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 2rpq n THR 12 Cb 0.39 1.11 0.07 0.00 -2.10 0.00 0.00 70.33 69.80 2rpq n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rpq n GLU 13 N 0.15 -5.12 -0.18 -0.78 1.02 -1.26 -4.95 120.64 109.52 2rpq n GLU 13 Ca 0.03 0.80 0.06 0.00 -0.02 0.00 0.00 57.16 58.03 2rpq n GLU 13 Cb 0.14 -5.67 0.14 0.00 -0.02 0.00 0.00 31.44 26.02 2rpq n GLU 13 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rpq n ASN 14 N -3.12 2.84 -3.46 1.62 5.03 -1.26 -5.01 115.26 111.90 2rpq n ASN 14 Ca -0.23 -2.40 -0.20 0.00 0.87 0.00 0.00 54.58 52.62 2rpq n ASN 14 Cb 0.66 -0.28 0.06 0.00 -1.02 0.00 0.00 39.78 39.20 2rpq n ASN 14 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2rpq n ASN 15 N -0.26 -4.14 -0.88 6.41 2.85 -1.26 -4.91 115.26 113.08 2rpq n ASN 15 Ca 0.12 -0.76 0.12 0.00 -0.11 0.00 0.00 54.58 53.94 2rpq n ASN 15 Cb 0.52 -4.64 0.25 0.00 1.24 0.00 0.00 39.78 37.16 2rpq n ASN 15 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2rpq n ASP 16 N -3.08 2.68 -4.77 1.20 5.75 -1.26 -4.96 116.55 112.11 2rpq n ASP 16 Ca -0.18 -1.87 -0.41 0.00 -0.01 0.00 0.00 54.79 52.32 2rpq n ASP 16 Cb 0.64 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2rpq s HIS 17 N -1.82 2.66 0.11 2.11 -3.43 -1.26 -4.35 115.29 109.31 2rpq s HIS 17 Ca 0.34 1.11 0.02 0.00 -0.80 0.00 0.00 55.06 55.73 2rpq s HIS 17 Cb 0.21 -4.00 -0.04 0.00 -1.43 0.00 0.00 32.58 27.31 2rpq s HIS 17 CO 0.31 -3.01 -0.06 0.96 -2.00 0.00 0.00 174.74 170.94 2rpq s ILE 18 N -0.89 0.74 0.03 -5.38 -4.36 0.27 -4.94 121.20 106.67 2rpq s ILE 18 Ca 0.55 -1.96 0.05 0.00 -0.26 0.00 0.00 60.65 59.03 2rpq s ILE 18 Cb -0.46 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 2rpq s ILE 18 CO 0.59 -0.80 -0.13 0.20 0.24 0.00 0.00 174.94 175.04 2rpq s ASN 19 N -3.08 4.16 0.08 4.36 0.01 -0.27 -0.29 114.94 119.92 2rpq s ASN 19 Ca 0.14 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 2rpq s ASN 19 Cb 0.05 -0.81 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 2rpq s ASN 19 CO -0.03 0.26 -0.06 -1.48 -1.51 0.00 0.00 177.10 174.28 2rpq s LEU 20 N -1.45 2.45 0.14 0.60 2.34 -0.34 -1.68 118.68 120.73 2rpq s LEU 20 Ca 0.16 -0.90 0.11 0.00 0.06 0.00 0.00 54.13 53.56 2rpq s LEU 20 Cb -0.11 -0.06 -0.04 0.00 -0.56 0.00 0.00 46.19 45.42 2rpq s LEU 20 CO 0.07 -0.42 -0.27 -1.59 -1.06 0.00 0.00 176.35 173.08 2rpq s LYS 21 N -3.30 1.42 -0.15 1.48 -2.85 0.51 -0.16 119.74 116.69 2rpq s LYS 21 Ca 0.06 -1.38 -0.04 0.00 -1.00 0.00 0.00 55.97 53.61 2rpq s LYS 21 Cb 0.02 -1.89 -0.03 0.00 -2.06 0.00 0.00 37.83 33.86 2rpq s LYS 21 CO -0.04 0.44 0.00 0.08 0.10 0.00 0.00 175.35 175.94 2rpq s VAL 22 N -1.16 4.28 -0.11 1.79 1.01 0.06 -0.84 120.40 125.44 2rpq s VAL 22 Ca 0.15 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2rpq s VAL 22 Cb -0.10 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2rpq s VAL 22 CO 0.07 0.51 -0.20 0.00 0.00 0.00 0.00 175.10 175.48 2rpq s ALA 23 N 0.06 2.35 0.66 5.51 0.00 -0.43 -2.07 121.76 127.83 2rpq s ALA 23 Ca 0.02 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.09 2rpq s ALA 23 Cb -0.13 -0.97 0.12 0.00 0.00 0.00 0.00 23.12 22.15 2rpq s ALA 23 CO 0.02 0.28 0.90 0.41 0.00 0.00 0.00 175.76 177.37 2rpq n GLY 24 N 3.50 1.35 0.34 0.00 0.00 0.11 -1.63 105.19 108.86 2rpq n GLY 24 Ca -0.19 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.66 2rpq n GLY 24 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2rpq h GLN 25 N 0.00 1.07 0.00 1.61 4.15 -1.83 -2.57 115.11 117.53 2rpq h GLN 25 Ca -0.30 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2rpq h GLN 25 Cb 1.25 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.75 2rpq h GLN 25 CO 0.38 0.85 0.00 -0.25 -1.93 0.00 0.00 178.83 177.87 2rpq n ASP 26 N -4.31 0.55 0.00 -0.69 8.00 -1.26 -4.86 116.55 113.98 2rpq n ASP 26 Ca 0.07 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2rpq n ASP 26 Cb 0.16 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rpq n GLY 27 N 0.79 0.58 3.77 0.44 0.00 -0.97 -5.09 105.19 104.72 2rpq n GLY 27 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.77 6.21 -0.01 1.61 0.01 -1.26 -4.76 113.70 112.73 2rpq s SER 28 Ca 0.00 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2rpq s SER 28 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2rpq s SER 28 CO 0.00 -0.89 0.01 0.54 0.41 0.00 0.00 173.24 173.32 2rpq s VAL 29 N -1.56 -0.02 -0.02 3.43 0.11 -1.26 -0.71 120.40 120.37 2rpq s VAL 29 Ca 0.63 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.83 2rpq s VAL 29 Cb -0.28 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2rpq s VAL 29 CO 0.34 0.05 -0.14 0.54 -3.33 0.00 0.00 175.10 172.56 2rpq s VAL 30 N 0.55 1.11 0.24 2.04 0.11 -0.88 -5.01 120.40 118.56 2rpq s VAL 30 Ca -0.05 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 58.52 2rpq s VAL 30 Cb -0.07 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2rpq s VAL 30 CO -0.02 0.32 -0.07 0.00 -3.33 0.00 0.00 175.10 172.00 2rpq s GLN 31 N -0.20 2.10 -0.01 1.54 1.03 -1.26 -0.76 119.66 122.10 2rpq s GLN 31 Ca 0.03 -1.43 -0.08 0.00 0.04 0.00 0.00 55.36 53.92 2rpq s GLN 31 Cb -0.07 -2.09 0.01 0.00 0.03 0.00 0.00 33.01 30.89 2rpq s GLN 31 CO -0.00 0.38 0.16 -0.06 -2.54 0.00 0.00 175.29 173.23 2rpq s PHE 32 N -2.14 -0.02 -0.24 9.60 0.08 0.78 -4.97 117.98 121.08 2rpq s PHE 32 Ca 0.29 -0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 2rpq s PHE 32 Cb -0.07 -0.02 0.03 0.00 -0.57 0.00 0.00 43.02 42.39 2rpq s PHE 32 CO 0.17 -0.26 -0.09 0.21 -0.10 0.00 0.00 175.22 175.15 2rpq s LYS 33 N -1.13 2.82 0.04 0.44 2.20 -1.26 -1.20 119.74 121.65 2rpq s LYS 33 Ca -0.12 -0.98 -0.15 0.00 -0.36 0.00 0.00 55.97 54.36 2rpq s LYS 33 Cb -0.06 -2.90 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 2rpq s LYS 33 CO 0.02 -0.38 0.34 -1.50 -0.36 0.00 0.00 175.35 173.47 2rpq s ILE 34 N 1.30 0.07 0.42 5.43 2.07 0.60 -4.93 121.20 126.16 2rpq s ILE 34 Ca 0.00 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 2rpq s ILE 34 Cb -0.16 -0.94 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 2rpq s ILE 34 CO -0.06 -0.34 0.63 -0.54 -1.91 0.00 0.00 174.94 172.72 2rpq s LYS 35 N -2.51 3.21 0.19 3.50 3.01 -1.26 -0.57 119.74 125.32 2rpq s LYS 35 Ca -0.05 -0.44 -0.04 0.00 -1.01 0.00 0.00 55.97 54.42 2rpq s LYS 35 Cb -0.01 -2.60 0.12 0.00 -1.01 0.00 0.00 37.83 34.34 2rpq s LYS 35 CO -0.03 -0.13 1.54 0.00 0.51 0.00 0.00 175.35 177.24 2rpq h ARG 36 N 0.52 0.67 0.00 1.68 3.08 -1.97 -3.19 114.38 115.16 2rpq h ARG 36 Ca -0.47 -0.36 -0.12 0.00 0.07 0.00 0.00 59.98 59.10 2rpq h ARG 36 Cb 1.24 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2rpq h ARG 36 CO 0.58 0.97 -1.16 0.45 -1.07 0.00 0.00 179.97 179.74 2rpq h HIS 37 N 0.54 0.00 -3.58 3.04 3.86 -1.96 -2.63 115.15 114.42 2rpq h HIS 37 Ca 0.04 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.72 2rpq h HIS 37 Cb 0.97 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.53 2rpq h HIS 37 CO 0.05 0.43 0.84 0.99 0.86 0.00 0.00 177.93 181.10 2rpq s THR 38 N -3.03 2.08 0.61 2.45 2.01 -1.21 -4.85 115.64 113.71 2rpq s THR 38 Ca -0.01 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 2rpq s THR 38 Cb 0.09 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 2rpq s THR 38 CO 0.79 0.01 1.04 -2.16 -0.69 0.00 0.00 174.62 173.62 2rpq s PRO 39 N -1.13 3.36 0.54 4.92 0.04 -1.26 -4.27 135.00 137.20 2rpq s PRO 39 Ca 0.59 1.00 0.26 0.00 0.04 0.00 0.00 61.00 62.90 2rpq s PRO 39 Cb -0.47 -2.05 1.53 0.00 0.04 0.00 0.00 34.50 33.55 2rpq s PRO 39 CO 0.54 -0.76 2.13 1.37 0.04 0.00 0.00 177.00 180.32 2rpq h LEU 40 N 0.04 0.00 -1.99 -3.56 8.10 -1.33 -2.28 115.31 114.28 2rpq h LEU 40 Ca -0.45 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.73 2rpq h LEU 40 Cb 1.20 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.40 2rpq h LEU 40 CO 0.59 0.08 0.50 -1.28 -4.11 0.00 0.00 178.44 174.22 2rpq h SER 41 N 0.00 0.00 -0.16 0.17 0.87 -1.81 -2.84 113.55 109.78 2rpq h SER 41 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2rpq h SER 41 Cb 0.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2rpq h SER 41 CO 0.01 0.00 -0.19 0.50 -0.53 0.00 0.00 176.83 176.62 2rpq h LYS 42 N 0.00 0.41 -0.42 2.24 1.63 -1.74 -1.14 116.57 117.55 2rpq h LYS 42 Ca 0.31 -0.23 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2rpq h LYS 42 Cb 1.31 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 2rpq h LYS 42 CO -0.00 0.80 -0.07 1.37 -3.45 0.00 0.00 179.45 178.09 2rpq h LEU 43 N 0.05 0.70 -0.81 5.20 -0.00 -1.74 -2.73 115.31 115.98 2rpq h LEU 43 Ca 0.02 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 57.69 2rpq h LEU 43 Cb 0.74 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 2rpq h LEU 43 CO 0.05 0.81 0.40 -0.03 -0.00 0.00 0.00 178.44 179.67 2rpq h MET 44 N 0.66 1.16 -0.58 0.17 4.05 -1.24 0.51 114.93 119.66 2rpq h MET 44 Ca 0.12 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 2rpq h MET 44 Cb 0.52 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2rpq h MET 44 CO 0.03 0.89 0.05 -0.22 0.23 0.00 0.00 176.91 177.89 2rpq h LYS 45 N 1.14 0.99 -0.64 0.39 3.64 -1.20 -2.65 116.57 118.24 2rpq h LYS 45 Ca 0.28 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2rpq h LYS 45 Cb 0.11 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2rpq h LYS 45 CO -0.04 0.96 0.31 0.00 -2.27 0.00 0.00 179.45 178.41 2rpq h ALA 46 N 0.99 1.34 -0.55 5.00 0.00 -1.12 -1.35 119.26 123.58 2rpq h ALA 46 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2rpq h ALA 46 Cb 0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2rpq h ALA 46 CO 0.02 0.51 0.32 -0.92 0.00 0.00 0.00 179.25 179.19 2rpq h TYR 47 N 0.90 0.60 -0.90 0.00 3.20 -0.82 -0.33 116.97 119.62 2rpq h TYR 47 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2rpq h TYR 47 Cb 0.09 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 2rpq h TYR 47 CO 0.01 0.34 0.48 0.00 -1.64 0.00 0.00 178.16 177.34 2rpq h GLU 49 N 1.26 0.24 -0.29 0.00 5.08 -0.96 -1.68 114.58 118.23 2rpq h GLU 49 Ca 0.31 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2rpq h GLU 49 Cb 0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2rpq h GLU 49 CO -0.05 0.48 -0.20 0.00 -1.00 0.00 0.00 179.01 178.23 2rpq h ARG 50 N -0.03 0.65 -0.19 2.33 3.08 -0.94 -3.37 114.38 115.92 2rpq h ARG 50 Ca 0.04 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2rpq h ARG 50 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2rpq h ARG 50 CO 0.01 0.91 0.00 1.04 -1.07 0.00 0.00 179.97 180.86 2rpq n GLN 51 N -4.34 2.47 -2.45 0.04 1.13 0.12 -5.01 117.38 109.34 2rpq n GLN 51 Ca -0.04 -1.70 -0.01 0.00 -1.94 0.00 0.00 57.00 53.31 2rpq n GLN 51 Cb 0.42 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.61 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 0.18 0.78 3.59 1.08 0.00 -0.66 -4.99 105.19 105.17 2rpq n GLY 52 Ca 0.07 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.51 2.92 -0.17 0.99 1.43 -1.06 -5.07 118.68 116.22 2rpq s LEU 53 Ca 0.02 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.10 2rpq s LEU 53 Cb -0.01 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2rpq s LEU 53 CO 0.04 -0.13 0.09 -0.44 0.23 0.00 0.00 176.35 176.13 2rpq s SER 54 N -3.65 5.88 0.22 2.29 0.01 -1.26 -4.73 113.70 112.46 2rpq s SER 54 Ca 0.33 0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.70 2rpq s SER 54 Cb -0.02 -1.97 0.18 0.00 0.21 0.00 0.00 66.02 64.42 2rpq s SER 54 CO 0.18 0.23 1.83 -0.03 0.41 0.00 0.00 173.24 175.87 2rpq h MET 55 N 6.26 1.18 -0.65 12.44 4.05 -1.94 -2.17 114.93 134.09 2rpq h MET 55 Ca -0.42 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 58.85 2rpq h MET 55 Cb 1.18 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2rpq h MET 55 CO 0.69 0.87 0.00 2.89 0.23 0.00 0.00 176.91 181.59 2rpq n ARG 56 N -4.37 3.15 0.00 0.39 1.85 -1.26 -3.44 116.66 112.98 2rpq n ARG 56 Ca 0.08 -2.51 0.07 0.00 -1.00 0.00 0.00 57.85 54.50 2rpq n ARG 56 Cb 0.11 -1.73 -0.05 0.00 -1.05 0.00 0.00 32.46 29.74 2rpq n ARG 56 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2rpq n GLN 57 N 1.15 1.89 -4.68 2.89 6.02 -0.82 -4.95 117.38 118.88 2rpq n GLN 57 Ca 0.23 -0.38 -0.33 0.00 -0.01 0.00 0.00 57.00 56.51 2rpq n GLN 57 Cb 0.73 -1.23 -0.12 0.00 1.02 0.00 0.00 30.24 30.63 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2rpq s ILE 58 N -2.16 3.46 -0.02 5.09 -4.36 -1.19 -0.63 121.20 121.39 2rpq s ILE 58 Ca 0.09 -0.55 0.06 0.00 -0.26 0.00 0.00 60.65 59.99 2rpq s ILE 58 Cb 0.12 -2.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 2rpq s ILE 58 CO 0.51 0.57 -0.21 -0.13 0.24 0.00 0.00 174.94 175.92 2rpq s ARG 59 N -0.37 1.78 0.04 0.37 1.81 -0.07 -4.97 118.95 117.54 2rpq s ARG 59 Ca 0.05 -0.75 0.09 0.00 -1.72 0.00 0.00 55.73 53.40 2rpq s ARG 59 Cb -0.12 -1.68 -0.03 0.00 -0.45 0.00 0.00 34.95 32.67 2rpq s ARG 59 CO 0.02 0.42 -0.26 -0.59 -0.68 0.00 0.00 175.30 174.21 2rpq s PHE 60 N -0.40 2.29 0.04 -0.53 -0.71 -1.26 -0.59 117.98 116.82 2rpq s PHE 60 Ca 0.06 -0.41 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 2rpq s PHE 60 Cb -0.09 -1.38 -0.02 0.00 -1.21 0.00 0.00 43.02 40.31 2rpq s PHE 60 CO -0.00 0.11 0.01 -0.98 -1.34 0.00 0.00 175.22 173.01 2rpq s ARG 61 N -1.17 0.49 -0.11 1.99 1.70 0.10 -3.34 118.95 118.61 2rpq s ARG 61 Ca 0.11 -0.86 -0.01 0.00 -0.47 0.00 0.00 55.73 54.50 2rpq s ARG 61 Cb -0.10 0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2rpq s ARG 61 CO 0.02 -0.10 -0.01 0.12 -1.08 0.00 0.00 175.30 174.25 2rpq s PHE 62 N -2.63 0.98 -1.46 5.89 5.36 0.01 -1.55 117.98 124.58 2rpq s PHE 62 Ca -0.05 -0.47 -0.08 0.00 -0.96 0.00 0.00 56.93 55.37 2rpq s PHE 62 Cb -0.01 -0.97 0.05 0.00 -0.34 0.00 0.00 43.02 41.75 2rpq s PHE 62 CO -0.05 -0.44 0.76 -3.47 -1.46 0.00 0.00 175.22 170.56 2rpq n ASP 63 N 5.07 -2.62 0.00 6.13 2.03 -1.26 -1.42 116.55 124.48 2rpq n ASP 63 Ca -0.09 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2rpq n ASP 63 Cb 0.49 -3.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.27 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 -1.68 0.82 3.40 0.27 0.00 -1.26 -5.01 105.19 101.72 2rpq n GLY 64 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.15 3.46 0.21 1.61 -0.21 -0.51 -5.07 119.66 118.99 2rpq s GLN 65 Ca 0.00 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 54.43 2rpq s GLN 65 Cb 0.00 -2.74 -0.15 0.00 1.00 0.00 0.00 33.01 31.12 2rpq s GLN 65 CO 0.00 0.18 1.10 -2.30 -2.12 0.00 0.00 175.29 172.14 2rpq n PRO 66 N 3.66 1.17 -4.36 2.91 -0.02 -1.26 -0.80 135.00 136.29 2rpq n PRO 66 Ca -0.18 0.42 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 2rpq n PRO 66 Cb 0.52 -1.86 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.46 2.00 0.28 4.25 -4.36 -1.21 -4.85 121.20 116.85 2rpq s ILE 67 Ca 0.69 -1.91 0.09 0.00 -0.26 0.00 0.00 60.65 59.25 2rpq s ILE 67 Cb -0.81 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 2rpq s ILE 67 CO 0.54 -0.21 0.09 0.20 0.24 0.00 0.00 174.94 175.81 2rpq s ASN 68 N -2.57 4.87 0.49 4.36 0.01 -1.26 -4.81 114.94 116.02 2rpq s ASN 68 Ca 0.16 -0.56 0.24 0.00 -0.71 0.00 0.00 52.86 52.00 2rpq s ASN 68 Cb -0.07 -0.98 1.27 0.00 0.41 0.00 0.00 41.25 41.88 2rpq s ASN 68 CO 0.07 -0.08 2.01 -0.33 -1.51 0.00 0.00 177.10 177.26 2rpq h GLU 69 N 1.69 0.00 0.00 -0.60 5.08 -2.01 -1.67 114.58 117.07 2rpq h GLU 69 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2rpq h GLU 69 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2rpq h GLU 69 CO 0.61 0.16 0.00 1.15 -1.00 0.00 0.00 179.01 179.93 2rpq h THR 70 N 0.00 0.00 -4.29 1.13 2.02 -1.98 -3.25 112.91 106.54 2rpq h THR 70 Ca -0.00 -0.77 -0.51 0.00 0.77 0.00 0.00 66.41 65.89 2rpq h THR 70 Cb 0.42 1.76 0.15 0.00 -1.74 0.00 0.00 68.15 68.74 2rpq h THR 70 CO 0.02 0.00 0.29 -1.81 0.37 0.00 0.00 175.52 174.39 2rpq s ASP 71 N -5.63 4.06 0.11 4.18 1.01 -0.63 -4.84 116.67 114.93 2rpq s ASP 71 Ca 0.07 1.90 -0.06 0.00 0.71 0.00 0.00 52.55 55.17 2rpq s ASP 71 Cb 0.08 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2rpq s ASP 71 CO 0.62 -2.33 0.14 0.42 0.21 0.00 0.00 175.17 174.23 2rpq s THR 72 N -2.84 0.13 0.44 -1.27 -4.23 -1.26 -1.27 115.64 105.34 2rpq s THR 72 Ca 0.63 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 59.74 2rpq s THR 72 Cb -0.19 -1.63 0.25 0.00 1.34 0.00 0.00 72.50 72.28 2rpq s THR 72 CO 0.57 -0.61 2.07 -0.65 -0.54 0.00 0.00 174.62 175.46 2rpq h PRO 73 N 2.81 0.32 -0.29 3.99 0.11 -1.74 -0.53 132.00 136.67 2rpq h PRO 73 Ca -0.34 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 2rpq h PRO 73 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2rpq h PRO 73 CO 0.57 0.24 0.05 0.00 -0.21 0.00 0.00 178.00 178.65 2rpq h ALA 74 N 1.82 0.38 -0.17 -0.75 0.00 -1.80 -0.16 119.26 118.58 2rpq h ALA 74 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2rpq h ALA 74 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2rpq h ALA 74 CO -0.01 0.08 -0.31 1.96 0.00 0.00 0.00 179.25 180.97 2rpq h GLN 75 N 0.30 0.50 -0.00 0.00 4.20 -1.84 -3.26 115.11 115.01 2rpq h GLN 75 Ca 0.09 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2rpq h GLN 75 Cb 0.34 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2rpq h GLN 75 CO 0.01 0.92 -0.32 -0.11 -0.67 0.00 0.00 178.83 178.65 2rpq n LEU 76 N -4.36 0.52 -3.52 1.46 7.94 -0.22 -4.96 117.00 113.85 2rpq n LEU 76 Ca -0.06 0.03 -0.22 0.00 -1.11 0.00 0.00 56.01 54.65 2rpq n LEU 76 Cb 0.48 -0.26 0.08 0.00 0.53 0.00 0.00 43.42 44.25 2rpq n LEU 76 CO 0.43 0.11 0.22 -0.62 -1.11 0.00 0.00 177.39 176.42 2rpq n GLU 77 N -1.27 -7.59 -1.83 1.96 1.02 -0.13 -5.03 120.64 107.78 2rpq n GLU 77 Ca 0.08 0.82 -0.33 0.00 -0.02 0.00 0.00 57.16 57.71 2rpq n GLU 77 Cb 0.33 -5.84 0.04 0.00 -0.02 0.00 0.00 31.44 25.96 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 -6.09 2.87 0.17 3.49 -1.94 -0.86 -5.03 119.30 111.92 2rpq s MET 78 Ca 0.45 1.43 0.03 0.00 -1.71 0.00 0.00 55.69 55.90 2rpq s MET 78 Cb -0.20 -1.96 -0.01 0.00 2.01 0.00 0.00 34.83 34.67 2rpq s MET 78 CO 0.72 -1.20 0.16 0.39 -0.01 0.00 0.00 175.02 175.08 2rpq n GLU 79 N -2.25 0.23 -0.02 2.03 1.02 -1.26 -4.86 120.64 115.54 2rpq n GLU 79 Ca 0.11 -1.71 0.24 0.00 -0.02 0.00 0.00 57.16 55.77 2rpq n GLU 79 Cb 0.52 1.43 0.70 0.00 -0.02 0.00 0.00 31.44 34.07 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 1.07 0.00 -1.72 1.62 2.03 -1.93 -3.10 116.42 114.39 2rpq h ASP 80 Ca -0.12 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.73 2rpq h ASP 80 Cb 0.63 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 38.74 2rpq h ASP 80 CO 0.18 0.00 -1.14 -0.62 -1.03 0.00 0.00 179.24 176.63 2rpq n GLU 81 N -3.74 1.00 -2.01 4.15 1.02 -0.96 -1.11 120.64 118.98 2rpq n GLU 81 Ca 0.12 -3.25 -0.28 0.00 -0.02 0.00 0.00 57.16 53.73 2rpq n GLU 81 Cb 0.84 -1.59 0.08 0.00 -0.02 0.00 0.00 31.44 30.75 2rpq n GLU 81 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2rpq s ASP 82 N -2.44 4.72 -0.09 1.62 1.01 -0.68 -4.85 116.67 115.97 2rpq s ASP 82 Ca 0.37 0.70 -0.00 0.00 0.71 0.00 0.00 52.55 54.33 2rpq s ASP 82 Cb 0.36 -1.29 0.02 0.00 1.01 0.00 0.00 42.92 43.03 2rpq s ASP 82 CO -0.06 -1.73 -0.05 -0.89 0.21 0.00 0.00 175.17 172.64 2rpq s THR 83 N -3.43 0.78 -0.04 -1.27 2.01 -1.26 -0.36 115.64 112.06 2rpq s THR 83 Ca 0.61 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2rpq s THR 83 Cb -0.11 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2rpq s THR 83 CO 0.48 0.32 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.98 2rpq s ILE 84 N 1.59 3.28 -0.11 1.82 1.01 -0.02 -4.77 121.20 124.01 2rpq s ILE 84 Ca 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2rpq s ILE 84 Cb -0.13 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2rpq s ILE 84 CO -0.05 0.56 -0.08 -1.81 0.00 0.00 0.00 174.94 173.56 2rpq s ASP 85 N -0.87 4.53 -0.05 3.58 1.01 -0.60 -1.32 116.67 122.95 2rpq s ASP 85 Ca 0.12 -0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.28 2rpq s ASP 85 Cb -0.11 -1.46 0.01 0.00 1.01 0.00 0.00 42.92 42.37 2rpq s ASP 85 CO 0.02 0.25 -0.13 -0.69 0.21 0.00 0.00 175.17 174.83 2rpq s VAL 86 N -0.14 1.14 -0.04 -1.27 1.01 -0.65 -0.72 120.40 119.74 2rpq s VAL 86 Ca 0.01 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2rpq s VAL 86 Cb -0.13 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2rpq s VAL 86 CO 0.03 0.35 -0.11 -0.36 0.00 0.00 0.00 175.10 175.01 2rpq s PHE 87 N 0.36 1.18 0.10 5.22 0.40 0.24 -2.79 117.98 122.69 2rpq s PHE 87 Ca -0.09 -0.34 -0.21 0.00 -0.60 0.00 0.00 56.93 55.70 2rpq s PHE 87 Cb -0.13 -0.84 -0.07 0.00 0.51 0.00 0.00 43.02 42.49 2rpq s PHE 87 CO 0.02 -0.15 0.62 -1.14 0.70 0.00 0.00 175.22 175.27 2rpq s GLN 88 N 0.30 4.28 0.00 0.44 0.74 -1.26 -0.89 119.66 123.26 2rpq s GLN 88 Ca -0.06 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.18 2rpq s GLN 88 Cb -0.11 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2rpq s GLN 88 CO 0.01 0.61 0.00 1.04 -0.55 0.00 0.00 175.29 176.41 2rpq n GLN 89 N 1.64 2.20 -1.88 1.67 1.13 0.20 -4.97 117.38 117.38 2rpq n GLN 89 Ca -0.09 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.59 2rpq n GLN 89 Cb 0.50 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.88 2rpq n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2rpq s GLN 90 N -1.33 3.24 0.08 -1.09 1.11 -1.26 -4.95 119.66 115.46 2rpq s GLN 90 Ca 0.00 2.13 -0.16 0.00 0.01 0.00 0.00 55.36 57.34 2rpq s GLN 90 Cb 0.00 -2.27 -0.12 0.00 -1.01 0.00 0.00 33.01 29.61 2rpq s GLN 90 CO 0.00 -1.08 1.35 1.79 0.01 0.00 0.00 175.29 177.36 2rpq h THR 91 N 1.50 1.32 -4.13 -0.19 1.35 -1.97 -3.46 112.91 107.33 2rpq h THR 91 Ca -0.51 -1.60 -0.52 0.00 -0.55 0.00 0.00 66.41 63.24 2rpq h THR 91 Cb 1.29 1.82 0.11 0.00 -1.73 0.00 0.00 68.15 69.64 2rpq h THR 91 CO 0.58 0.50 0.43 -0.83 -0.25 0.00 0.00 175.52 175.94 2rpq s GLY 92 N -3.76 2.52 0.00 5.82 0.00 -1.26 -5.02 107.32 105.62 2rpq s GLY 92 Ca -0.12 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2rpq s GLY 92 CO 0.83 1.22 0.00 0.61 0.00 0.00 0.00 173.10 175.76