#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpq n ALA 2 N 0.00 3.18 -0.09 3.04 0.00 -1.26 -4.20 120.51 121.19 2rpq n ALA 2 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2rpq n ALA 2 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2rpq n ALA 2 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2rpq h ASP 3 N 0.98 0.42 -4.10 0.00 2.03 -2.14 -3.46 116.42 110.14 2rpq h ASP 3 Ca 0.00 -0.25 -0.54 0.00 -0.73 0.00 0.00 57.03 55.51 2rpq h ASP 3 Cb 0.51 -0.11 0.13 0.00 -0.83 0.00 0.00 39.33 39.02 2rpq h ASP 3 CO 0.00 0.56 0.48 -1.83 -1.03 0.00 0.00 179.24 177.43 2rpq s GLU 4 N -5.22 2.83 0.59 4.15 -1.05 -1.26 -5.04 118.70 113.71 2rpq s GLU 4 Ca -0.14 1.90 -0.19 0.00 -0.15 0.00 0.00 54.97 56.39 2rpq s GLU 4 Cb 0.08 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.83 2rpq s GLU 4 CO 0.74 -1.33 1.20 0.15 0.95 0.00 0.00 175.26 176.97 2rpq s LYS 5 N -3.36 2.98 0.25 -4.83 1.02 -1.26 -5.00 119.74 109.54 2rpq s LYS 5 Ca 0.79 1.80 -0.29 0.00 0.02 0.00 0.00 55.97 58.30 2rpq s LYS 5 Cb -0.32 -1.93 -0.15 0.00 -0.52 0.00 0.00 37.83 34.90 2rpq s LYS 5 CO 0.35 -1.20 0.88 -2.30 -0.92 0.00 0.00 175.35 172.17 2rpq n PRO 6 N -1.61 0.93 0.00 -1.68 -0.02 -1.26 -4.94 135.00 126.42 2rpq n PRO 6 Ca 0.13 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2rpq n PRO 6 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2rpq n PRO 6 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2rpq n LYS 7 N 0.90 3.35 -3.19 -0.52 5.02 -1.26 -5.06 118.16 117.40 2rpq n LYS 7 Ca 0.13 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.06 2rpq n LYS 7 Cb 0.29 -0.28 -0.06 0.00 -0.02 0.00 0.00 35.03 34.96 2rpq n LYS 7 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2rpq s GLU 8 N -0.48 4.07 0.00 1.97 2.56 -1.26 -5.10 118.70 120.45 2rpq s GLU 8 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 54.97 55.64 2rpq s GLU 8 Cb 0.00 -2.69 0.00 0.00 2.00 0.00 0.00 34.13 33.44 2rpq s GLU 8 CO 0.00 0.30 0.00 0.41 -0.56 0.00 0.00 175.26 175.41 2rpq n GLY 9 N 0.21 -1.60 3.01 -1.50 0.00 -1.26 -4.86 105.19 99.20 2rpq n GLY 9 Ca -0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 2rpq n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rpq n VAL 10 N -1.44 -8.58 -1.89 1.61 0.31 -1.26 -5.02 118.33 102.06 2rpq n VAL 10 Ca 0.00 -0.93 -0.35 0.00 -0.01 0.00 0.00 64.34 63.05 2rpq n VAL 10 Cb 0.00 -6.28 0.04 0.00 -0.91 0.00 0.00 33.84 26.69 2rpq n VAL 10 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2rpq s LYS 11 N -3.89 2.83 0.05 5.55 1.02 -1.26 -4.95 119.74 119.09 2rpq s LYS 11 Ca 0.29 1.69 0.24 0.00 0.02 0.00 0.00 55.97 58.21 2rpq s LYS 11 Cb -0.04 -1.93 0.96 0.00 -0.52 0.00 0.00 37.83 36.31 2rpq s LYS 11 CO 0.66 -1.28 1.74 0.25 -0.92 0.00 0.00 175.35 175.80 2rpq n THR 12 N -1.93 0.47 -0.03 2.17 -2.24 -1.26 -1.97 114.28 109.48 2rpq n THR 12 Ca 0.13 0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.93 2rpq n THR 12 Cb 0.50 -0.73 0.18 0.00 -2.10 0.00 0.00 70.33 68.19 2rpq n THR 12 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2rpq h GLU 13 N 0.00 0.61 -3.06 -0.78 4.81 -2.05 -3.47 114.58 110.63 2rpq h GLU 13 Ca 0.00 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.87 2rpq h GLU 13 Cb 0.44 -0.05 0.06 0.00 0.63 0.00 0.00 28.75 29.83 2rpq h GLU 13 CO 0.00 0.74 -0.29 -1.71 -0.73 0.00 0.00 179.01 177.03 2rpq n ASN 14 N -4.16 -3.63 -4.08 1.04 5.15 -0.83 -5.04 115.26 103.70 2rpq n ASN 14 Ca 0.01 -0.23 -0.20 0.00 -0.60 0.00 0.00 54.58 53.55 2rpq n ASN 14 Cb 0.37 -2.38 -0.15 0.00 -0.53 0.00 0.00 39.78 37.09 2rpq n ASN 14 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2rpq s ASN 15 N -3.18 1.42 -0.01 1.20 3.84 -1.26 -5.04 114.94 111.92 2rpq s ASN 15 Ca 0.22 -0.26 0.11 0.00 0.21 0.00 0.00 52.86 53.14 2rpq s ASN 15 Cb -0.10 -0.14 0.33 0.00 -0.55 0.00 0.00 41.25 40.79 2rpq s ASN 15 CO 0.30 0.12 1.26 0.47 -2.79 0.00 0.00 177.10 176.46 2rpq n ASP 16 N 2.61 2.07 -4.69 -4.21 9.92 -1.26 -4.93 116.55 116.07 2rpq n ASP 16 Ca -0.15 -2.03 -0.42 0.00 -0.53 0.00 0.00 54.79 51.66 2rpq n ASP 16 Cb 0.56 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2rpq s HIS 17 N -1.53 3.42 0.08 1.24 -3.43 -1.26 -3.32 115.29 110.49 2rpq s HIS 17 Ca 0.25 1.47 -0.04 0.00 -0.80 0.00 0.00 55.06 55.93 2rpq s HIS 17 Cb 0.13 -3.27 -0.02 0.00 -1.43 0.00 0.00 32.58 27.99 2rpq s HIS 17 CO 0.16 -0.61 0.08 0.96 -2.00 0.00 0.00 174.74 173.33 2rpq s ILE 18 N 1.90 0.17 0.04 -5.38 -4.36 -0.30 -4.92 121.20 108.36 2rpq s ILE 18 Ca 0.52 -1.56 0.08 0.00 -0.26 0.00 0.00 60.65 59.43 2rpq s ILE 18 Cb -0.21 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 2rpq s ILE 18 CO 0.21 -0.78 -0.21 0.20 0.24 0.00 0.00 174.94 174.59 2rpq s ASN 19 N -2.91 3.55 0.10 4.36 0.01 -0.13 -0.41 114.94 119.51 2rpq s ASN 19 Ca 0.08 -0.49 0.07 0.00 -0.71 0.00 0.00 52.86 51.81 2rpq s ASN 19 Cb 0.07 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.21 2rpq s ASN 19 CO -0.09 0.26 -0.18 -1.48 -1.51 0.00 0.00 177.10 174.10 2rpq s LEU 20 N -1.36 2.31 0.10 0.60 2.34 0.04 -1.65 118.68 121.05 2rpq s LEU 20 Ca 0.13 -0.68 0.08 0.00 0.06 0.00 0.00 54.13 53.72 2rpq s LEU 20 Cb -0.10 -0.74 -0.04 0.00 -0.56 0.00 0.00 46.19 44.75 2rpq s LEU 20 CO 0.04 -0.00 -0.16 -1.59 -1.06 0.00 0.00 176.35 173.58 2rpq s LYS 21 N -1.95 1.94 -0.15 1.48 -2.85 0.39 -0.24 119.74 118.35 2rpq s LYS 21 Ca 0.04 -1.09 0.02 0.00 -1.00 0.00 0.00 55.97 53.93 2rpq s LYS 21 Cb -0.09 -2.18 0.01 0.00 -2.06 0.00 0.00 37.83 33.50 2rpq s LYS 21 CO 0.04 0.50 -0.20 0.08 0.10 0.00 0.00 175.35 175.86 2rpq s VAL 22 N -1.12 2.15 -0.10 1.79 1.01 0.01 -0.96 120.40 123.19 2rpq s VAL 22 Ca 0.18 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2rpq s VAL 22 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2rpq s VAL 22 CO 0.10 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.51 2rpq s ALA 23 N 0.96 2.06 0.82 5.51 0.00 0.17 -1.72 121.76 129.56 2rpq s ALA 23 Ca -0.03 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2rpq s ALA 23 Cb -0.15 -0.78 0.17 0.00 0.00 0.00 0.00 23.12 22.36 2rpq s ALA 23 CO -0.05 0.27 1.09 0.41 0.00 0.00 0.00 175.76 177.48 2rpq n GLY 24 N 3.54 0.01 0.64 0.00 0.00 -0.12 -1.83 105.19 107.44 2rpq n GLY 24 Ca -0.19 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.01 2rpq n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rpq n GLN 25 N -3.12 1.86 -0.19 1.61 10.64 -1.26 -2.84 117.38 124.07 2rpq n GLN 25 Ca 0.16 -1.27 0.11 0.00 -1.83 0.00 0.00 57.00 54.17 2rpq n GLN 25 Cb 0.58 -1.44 0.25 0.00 -0.86 0.00 0.00 30.24 28.78 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2rpq n ASP 26 N 0.51 3.13 0.00 2.61 5.75 -1.26 -4.94 116.55 122.35 2rpq n ASP 26 Ca 0.17 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2rpq n ASP 26 Cb 0.39 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rpq n GLY 27 N 1.44 0.72 3.80 6.12 0.00 -1.13 -5.03 105.19 111.12 2rpq n GLY 27 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.44 7.09 0.00 1.61 0.01 -1.26 -4.90 113.70 113.81 2rpq s SER 28 Ca 0.00 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2rpq s SER 28 Cb 0.00 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 2rpq s SER 28 CO 0.00 0.25 -0.00 0.54 0.41 0.00 0.00 173.24 174.43 2rpq s VAL 29 N -0.99 0.02 -0.02 3.43 0.11 -1.26 -0.95 120.40 120.75 2rpq s VAL 29 Ca 0.30 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 2rpq s VAL 29 Cb -0.20 -0.04 -0.01 0.00 -1.53 0.00 0.00 36.38 34.61 2rpq s VAL 29 CO 0.19 -0.03 -0.14 0.54 -3.33 0.00 0.00 175.10 172.34 2rpq s VAL 30 N -0.10 1.11 0.11 2.04 0.11 -0.70 -4.99 120.40 117.98 2rpq s VAL 30 Ca -0.01 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 58.55 2rpq s VAL 30 Cb -0.01 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2rpq s VAL 30 CO -0.00 0.32 -0.22 0.00 -3.33 0.00 0.00 175.10 171.86 2rpq s GLN 31 N -0.21 1.64 0.00 1.54 1.03 -1.26 -0.81 119.66 121.59 2rpq s GLN 31 Ca 0.03 -1.23 0.00 0.00 0.04 0.00 0.00 55.36 54.20 2rpq s GLN 31 Cb -0.07 -2.02 -0.00 0.00 0.03 0.00 0.00 33.01 30.95 2rpq s GLN 31 CO -0.00 0.47 -0.01 -0.06 -2.54 0.00 0.00 175.29 173.15 2rpq s PHE 32 N -1.07 0.08 -0.31 9.60 0.40 0.67 -4.97 117.98 122.39 2rpq s PHE 32 Ca 0.16 -0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 2rpq s PHE 32 Cb -0.10 -0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.36 2rpq s PHE 32 CO 0.07 -0.01 0.16 0.21 0.70 0.00 0.00 175.22 176.35 2rpq s LYS 33 N -0.12 3.38 0.04 0.44 2.20 -1.26 -0.78 119.74 123.63 2rpq s LYS 33 Ca -0.01 -0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2rpq s LYS 33 Cb -0.01 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2rpq s LYS 33 CO -0.00 -0.40 0.07 -1.50 -0.36 0.00 0.00 175.35 173.16 2rpq s ILE 34 N 1.63 0.14 0.17 5.43 2.07 0.45 -4.99 121.20 126.09 2rpq s ILE 34 Ca 0.05 -1.14 0.09 0.00 -1.41 0.00 0.00 60.65 58.24 2rpq s ILE 34 Cb -0.17 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 2rpq s ILE 34 CO 0.07 -0.63 -0.12 -0.54 -1.91 0.00 0.00 174.94 171.81 2rpq s LYS 35 N -2.60 1.98 0.24 3.50 3.01 -1.26 -1.15 119.74 123.46 2rpq s LYS 35 Ca -0.05 -1.27 -0.04 0.00 -1.01 0.00 0.00 55.97 53.60 2rpq s LYS 35 Cb -0.01 -2.13 0.26 0.00 -1.01 0.00 0.00 37.83 34.93 2rpq s LYS 35 CO -0.05 0.44 1.74 0.00 0.51 0.00 0.00 175.35 178.00 2rpq h ARG 36 N 3.07 0.92 -0.27 1.68 3.08 -1.95 -1.35 114.38 119.57 2rpq h ARG 36 Ca -0.47 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.34 2rpq h ARG 36 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2rpq h ARG 36 CO 0.53 0.87 0.00 0.72 -1.07 0.00 0.00 179.97 181.02 2rpq n HIS 37 N -4.22 0.35 -3.23 3.04 8.25 -1.26 -1.87 115.22 116.29 2rpq n HIS 37 Ca 0.03 -0.18 -0.40 0.00 -0.26 0.00 0.00 57.72 56.92 2rpq n HIS 37 Cb 0.29 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2rpq s THR 38 N -1.65 5.08 0.81 1.59 2.01 -0.51 -5.03 115.64 117.94 2rpq s THR 38 Ca 0.18 0.94 -0.12 0.00 0.31 0.00 0.00 61.69 63.00 2rpq s THR 38 Cb 0.09 -3.84 0.09 0.00 0.01 0.00 0.00 72.50 68.84 2rpq s THR 38 CO 0.12 0.12 1.14 -2.16 -0.69 0.00 0.00 174.62 173.15 2rpq s PRO 39 N 2.05 1.75 0.53 4.92 0.04 -1.26 -4.31 135.00 138.71 2rpq s PRO 39 Ca 0.23 1.49 0.26 0.00 0.04 0.00 0.00 61.00 63.02 2rpq s PRO 39 Cb -0.16 -1.81 1.50 0.00 0.04 0.00 0.00 34.50 34.07 2rpq s PRO 39 CO 0.09 -2.08 2.12 1.37 0.04 0.00 0.00 177.00 178.54 2rpq h LEU 40 N -1.15 0.00 -1.99 -3.56 8.10 -1.63 -2.20 115.31 112.88 2rpq h LEU 40 Ca -0.45 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.74 2rpq h LEU 40 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.46 2rpq h LEU 40 CO 0.47 0.09 0.51 0.77 -4.11 0.00 0.00 178.44 176.17 2rpq h SER 41 N 0.00 0.00 -0.25 0.17 4.64 -1.84 -2.55 113.55 113.72 2rpq h SER 41 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2rpq h SER 41 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2rpq h SER 41 CO 0.01 0.00 -0.30 0.50 -0.87 0.00 0.00 176.83 176.17 2rpq h LYS 42 N 0.00 0.64 -0.05 4.77 1.63 -1.74 -1.64 116.57 120.18 2rpq h LYS 42 Ca 0.32 -0.36 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 2rpq h LYS 42 Cb 1.34 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2rpq h LYS 42 CO -0.00 0.97 -0.43 1.37 -3.45 0.00 0.00 179.45 177.90 2rpq h LEU 43 N 0.35 0.11 -0.59 5.20 -0.00 -1.70 -2.35 115.31 116.33 2rpq h LEU 43 Ca 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2rpq h LEU 43 Cb 0.87 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.47 2rpq h LEU 43 CO 0.07 0.53 0.33 -0.03 -0.00 0.00 0.00 178.44 179.34 2rpq h MET 44 N 0.09 0.82 -0.70 0.17 4.05 -1.21 0.90 114.93 119.05 2rpq h MET 44 Ca 0.01 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2rpq h MET 44 Cb 0.80 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 2rpq h MET 44 CO 0.06 0.62 0.42 -0.22 0.23 0.00 0.00 176.91 178.02 2rpq h LYS 45 N 0.80 0.96 -0.53 0.39 1.63 -1.22 -2.71 116.57 115.89 2rpq h LYS 45 Ca 0.21 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2rpq h LYS 45 Cb 0.04 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 2rpq h LYS 45 CO -0.03 0.69 0.09 0.00 -3.45 0.00 0.00 179.45 176.74 2rpq h ALA 46 N 1.22 1.16 -0.62 5.00 0.00 -1.02 -2.06 119.26 122.93 2rpq h ALA 46 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rpq h ALA 46 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2rpq h ALA 46 CO -0.05 0.56 0.41 -0.92 0.00 0.00 0.00 179.25 179.25 2rpq h TYR 47 N 0.80 0.79 -0.63 0.00 3.20 -0.68 -0.31 116.97 120.15 2rpq h TYR 47 Ca 0.17 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2rpq h TYR 47 Cb 0.35 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2rpq h TYR 47 CO 0.02 0.51 0.30 0.00 -1.64 0.00 0.00 178.16 177.35 2rpq h GLU 49 N 0.87 0.44 0.11 0.00 5.08 -1.04 -2.05 114.58 117.98 2rpq h GLU 49 Ca 0.22 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 2rpq h GLU 49 Cb 0.13 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.35 2rpq h GLU 49 CO -0.03 0.52 -0.90 0.00 -1.00 0.00 0.00 179.01 177.61 2rpq h ARG 50 N 0.27 0.42 -0.12 2.33 3.08 -1.01 -3.39 114.38 115.95 2rpq h ARG 50 Ca 0.09 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2rpq h ARG 50 Cb 0.28 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2rpq h ARG 50 CO 0.00 1.25 0.00 1.04 -1.07 0.00 0.00 179.97 181.19 2rpq n GLN 51 N -4.05 1.48 -0.90 0.04 1.13 0.56 -5.01 117.38 110.62 2rpq n GLN 51 Ca -0.13 -1.41 0.00 0.00 -1.94 0.00 0.00 57.00 53.51 2rpq n GLN 51 Cb 0.84 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 30.02 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 0.31 0.54 3.91 1.08 0.00 -0.77 -4.96 105.19 105.31 2rpq n GLY 52 Ca 0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 3.17 -0.14 0.99 1.43 -1.24 -5.02 118.68 117.87 2rpq s LEU 53 Ca 0.00 0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 53.83 2rpq s LEU 53 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2rpq s LEU 53 CO 0.00 -1.11 0.09 -0.44 0.23 0.00 0.00 176.35 175.12 2rpq s SER 54 N -4.31 5.96 0.26 2.29 0.01 -1.26 -4.58 113.70 112.06 2rpq s SER 54 Ca 0.55 0.27 -0.04 0.00 1.31 0.00 0.00 55.95 58.04 2rpq s SER 54 Cb -0.11 -1.94 0.32 0.00 0.21 0.00 0.00 66.02 64.51 2rpq s SER 54 CO 0.46 0.30 1.87 0.24 0.41 0.00 0.00 173.24 176.53 2rpq h MET 55 N 5.74 1.10 -0.05 12.44 0.00 -1.95 -2.23 114.93 129.97 2rpq h MET 55 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 59.70 59.09 2rpq h MET 55 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 31.60 32.58 2rpq h MET 55 CO 0.64 0.82 0.00 2.89 0.00 0.00 0.00 176.91 181.26 2rpq n ARG 56 N -4.33 1.86 0.02 1.72 1.85 -1.26 -3.64 116.66 112.87 2rpq n ARG 56 Ca 0.08 -1.26 0.02 0.00 -1.00 0.00 0.00 57.85 55.69 2rpq n ARG 56 Cb 0.12 -1.47 -0.09 0.00 -1.05 0.00 0.00 32.46 29.97 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 0.52 0.63 -4.44 2.89 1.13 -0.84 -4.61 117.38 112.65 2rpq n GLN 57 Ca 0.18 0.12 -0.29 0.00 -1.94 0.00 0.00 57.00 55.07 2rpq n GLN 57 Cb 0.42 -1.74 -0.13 0.00 0.11 0.00 0.00 30.24 28.90 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2rpq s ILE 58 N -3.03 2.21 0.08 5.09 -4.36 -1.20 -0.44 121.20 119.55 2rpq s ILE 58 Ca -0.04 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 58.68 2rpq s ILE 58 Cb 0.09 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.82 2rpq s ILE 58 CO 0.82 0.11 -0.09 -0.13 0.24 0.00 0.00 174.94 175.90 2rpq s ARG 59 N -1.95 0.76 0.06 0.37 1.81 -0.25 -4.89 118.95 114.85 2rpq s ARG 59 Ca 0.13 -1.09 0.03 0.00 -1.72 0.00 0.00 55.73 53.08 2rpq s ARG 59 Cb -0.10 -0.40 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 2rpq s ARG 59 CO 0.05 0.05 0.05 -0.06 -0.68 0.00 0.00 175.30 174.71 2rpq s PHE 60 N -2.43 3.13 0.04 -0.53 0.08 -1.26 -1.23 117.98 115.79 2rpq s PHE 60 Ca 0.03 0.07 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 2rpq s PHE 60 Cb -0.03 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2rpq s PHE 60 CO -0.01 0.51 0.05 -0.98 -0.10 0.00 0.00 175.22 174.68 2rpq s ARG 61 N -2.16 0.55 -0.32 0.44 1.70 0.76 -2.58 118.95 117.34 2rpq s ARG 61 Ca 0.26 -0.85 -0.01 0.00 -0.47 0.00 0.00 55.73 54.66 2rpq s ARG 61 Cb -0.12 0.21 0.06 0.00 -0.57 0.00 0.00 34.95 34.53 2rpq s ARG 61 CO 0.18 -0.12 0.03 0.12 -1.08 0.00 0.00 175.30 174.43 2rpq s PHE 62 N -2.75 3.36 -1.28 5.89 5.36 -0.89 -1.67 117.98 125.99 2rpq s PHE 62 Ca -0.04 -2.09 -0.05 0.00 -0.96 0.00 0.00 56.93 53.80 2rpq s PHE 62 Cb -0.00 -2.36 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2rpq s PHE 62 CO -0.05 -0.85 0.32 -3.47 -1.46 0.00 0.00 175.22 169.71 2rpq n ASP 63 N 4.58 -4.35 0.00 6.13 2.03 -1.26 -1.30 116.55 122.38 2rpq n ASP 63 Ca -0.10 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2rpq n ASP 63 Cb 0.43 -3.61 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 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 -1.11 0.69 3.34 0.27 0.00 -1.26 -5.05 105.19 102.08 2rpq n GLY 64 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.04 1.28 0.25 1.61 -2.07 -0.42 -5.09 119.66 115.19 2rpq s GLN 65 Ca 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 55.36 52.20 2rpq s GLN 65 Cb 0.00 -1.50 0.00 0.00 -1.09 0.00 0.00 33.01 30.42 2rpq s GLN 65 CO 0.00 0.33 0.00 -2.30 -1.32 0.00 0.00 175.29 172.00 2rpq n PRO 66 N 0.60 -1.52 -4.39 9.60 -0.02 -1.26 -2.10 135.00 135.91 2rpq n PRO 66 Ca -0.16 1.22 -0.21 0.00 -2.02 0.00 0.00 63.50 62.33 2rpq n PRO 66 Cb 0.55 -1.64 -0.10 0.00 -0.02 0.00 0.00 33.50 32.29 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 -3.99 2.02 0.30 4.25 -4.36 -1.07 -3.15 121.20 115.20 2rpq s ILE 67 Ca 0.00 -2.24 0.07 0.00 -0.26 0.00 0.00 60.65 58.22 2rpq s ILE 67 Cb 0.00 -2.11 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 2rpq s ILE 67 CO 0.00 -0.48 0.34 0.20 0.24 0.00 0.00 174.94 175.24 2rpq s ASN 68 N -3.28 5.78 0.38 4.36 0.02 -1.26 -4.75 114.94 116.18 2rpq s ASN 68 Ca 0.24 -0.23 0.05 0.00 -1.02 0.00 0.00 52.86 51.91 2rpq s ASN 68 Cb -0.03 -1.33 0.75 0.00 0.02 0.00 0.00 41.25 40.66 2rpq s ASN 68 CO 0.10 -0.25 2.00 -0.33 0.02 0.00 0.00 177.10 178.64 2rpq h GLU 69 N 1.17 0.60 -0.39 -0.60 5.08 -1.98 -2.05 114.58 116.40 2rpq h GLU 69 Ca -0.47 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2rpq h GLU 69 Cb 1.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2rpq h GLU 69 CO 0.58 0.45 0.00 2.41 -1.00 0.00 0.00 179.01 181.44 2rpq n THR 70 N -4.42 0.51 -2.01 1.13 -1.04 -1.26 -3.36 114.28 103.83 2rpq n THR 70 Ca 0.03 -0.56 -0.28 0.00 -2.04 0.00 0.00 64.05 61.20 2rpq n THR 70 Cb 0.10 0.36 0.11 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.15 4.16 0.09 8.00 1.01 -0.77 -4.98 116.67 123.02 2rpq s ASP 71 Ca 0.31 0.50 -0.09 0.00 0.71 0.00 0.00 52.55 53.98 2rpq s ASP 71 Cb 0.16 -0.89 -0.00 0.00 1.01 0.00 0.00 42.92 43.20 2rpq s ASP 71 CO 0.22 -2.08 0.19 0.42 0.21 0.00 0.00 175.17 174.14 2rpq s THR 72 N -3.58 0.14 0.46 -1.27 -4.23 -1.26 -2.79 115.64 103.11 2rpq s THR 72 Ca 0.65 -1.16 0.12 0.00 -1.18 0.00 0.00 61.69 60.13 2rpq s THR 72 Cb -0.09 -1.31 0.28 0.00 1.34 0.00 0.00 72.50 72.72 2rpq s THR 72 CO 0.49 -0.64 2.09 -0.65 -0.54 0.00 0.00 174.62 175.37 2rpq h PRO 73 N 2.79 0.28 -0.26 3.99 0.11 -1.75 -1.66 132.00 135.50 2rpq h PRO 73 Ca -0.34 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2rpq h PRO 73 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2rpq h PRO 73 CO 0.56 0.18 0.03 0.00 -0.21 0.00 0.00 178.00 178.57 2rpq h ALA 74 N 1.84 0.35 -0.37 -0.75 0.00 -1.72 -0.29 119.26 118.33 2rpq h ALA 74 Ca 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2rpq h ALA 74 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2rpq h ALA 74 CO -0.02 0.04 -0.28 1.96 0.00 0.00 0.00 179.25 180.95 2rpq h GLN 75 N 0.24 0.84 0.00 0.00 4.20 -1.80 -2.64 115.11 115.95 2rpq h GLN 75 Ca 0.08 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2rpq h GLN 75 Cb 0.35 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2rpq h GLN 75 CO 0.01 1.05 0.00 -0.11 -0.67 0.00 0.00 178.83 179.10 2rpq n LEU 76 N -4.19 0.00 -3.34 1.46 7.94 -0.64 -4.93 117.00 113.30 2rpq n LEU 76 Ca -0.02 0.42 -0.18 0.00 -1.11 0.00 0.00 56.01 55.12 2rpq n LEU 76 Cb 0.48 -0.42 0.08 0.00 0.53 0.00 0.00 43.42 44.09 2rpq n LEU 76 CO 0.46 -0.00 0.15 -0.62 -1.11 0.00 0.00 177.39 176.26 2rpq n GLU 77 N -1.42 -6.67 -1.46 1.96 1.02 -0.88 -5.01 120.64 108.19 2rpq n GLU 77 Ca 0.10 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.69 2rpq n GLU 77 Cb 0.30 -5.69 0.09 0.00 -0.02 0.00 0.00 31.44 26.13 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 -5.59 2.17 0.53 3.49 -1.94 -0.17 -5.03 119.30 112.76 2rpq s MET 78 Ca 0.17 1.78 0.01 0.00 -1.71 0.00 0.00 55.69 55.95 2rpq s MET 78 Cb -0.08 -1.83 0.01 0.00 2.01 0.00 0.00 34.83 34.94 2rpq s MET 78 CO 0.69 -1.82 0.06 0.39 -0.01 0.00 0.00 175.02 174.33 2rpq n GLU 79 N -2.65 0.72 0.20 2.03 1.02 -1.26 -4.92 120.64 115.78 2rpq n GLU 79 Ca 0.14 -3.78 0.16 0.00 -0.02 0.00 0.00 57.16 53.66 2rpq n GLU 79 Cb 0.50 0.93 0.80 0.00 -0.02 0.00 0.00 31.44 33.65 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 1.18 0.00 -2.90 1.62 2.03 -1.92 -2.98 116.42 113.45 2rpq h ASP 80 Ca -0.42 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.29 2rpq h ASP 80 Cb 1.31 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.42 2rpq h ASP 80 CO 0.70 0.00 -0.81 -1.61 -1.03 0.00 0.00 179.24 176.49 2rpq s GLU 81 N -4.73 0.74 0.54 4.15 2.02 -1.14 -0.96 118.70 119.33 2rpq s GLU 81 Ca -0.05 -1.44 -0.07 0.00 0.02 0.00 0.00 54.97 53.44 2rpq s GLU 81 Cb 0.16 -1.62 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 2rpq s GLU 81 CO 0.58 -1.17 0.87 0.34 0.02 0.00 0.00 175.26 175.91 2rpq s ASP 82 N 0.99 6.05 -0.16 -0.19 2.15 -0.66 -4.91 116.67 119.93 2rpq s ASP 82 Ca 0.17 0.97 -0.01 0.00 0.43 0.00 0.00 52.55 54.11 2rpq s ASP 82 Cb -0.23 -2.13 0.04 0.00 -0.30 0.00 0.00 42.92 40.30 2rpq s ASP 82 CO -0.04 -0.79 -0.04 -0.89 -0.17 0.00 0.00 175.17 173.25 2rpq s THR 83 N -2.91 0.99 -0.01 1.71 2.01 -1.26 -0.46 115.64 115.70 2rpq s THR 83 Ca 0.51 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2rpq s THR 83 Cb -0.10 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2rpq s THR 83 CO 0.47 0.12 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.63 2rpq s ILE 84 N 1.69 2.02 0.12 1.82 -1.09 -0.13 -4.90 121.20 120.72 2rpq s ILE 84 Ca 0.01 -1.13 0.06 0.00 -2.23 0.00 0.00 60.65 57.37 2rpq s ILE 84 Cb -0.15 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 2rpq s ILE 84 CO -0.08 0.53 -0.04 -1.81 -1.23 0.00 0.00 174.94 172.32 2rpq s ASP 85 N -0.69 4.71 -0.08 3.58 1.01 -0.67 -0.66 116.67 123.87 2rpq s ASP 85 Ca 0.10 -0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.03 2rpq s ASP 85 Cb -0.10 -1.01 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 2rpq s ASP 85 CO -0.01 0.15 -0.03 -0.69 0.21 0.00 0.00 175.17 174.80 2rpq s VAL 86 N -1.40 4.01 -0.01 -1.27 1.01 -0.76 -0.17 120.40 121.81 2rpq s VAL 86 Ca 0.25 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2rpq s VAL 86 Cb -0.11 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2rpq s VAL 86 CO 0.17 0.60 -0.10 0.12 0.00 0.00 0.00 175.10 175.89 2rpq s PHE 87 N -0.80 0.88 0.12 5.22 5.36 -0.36 -4.58 117.98 123.82 2rpq s PHE 87 Ca 0.12 -0.17 -0.20 0.00 -0.96 0.00 0.00 56.93 55.72 2rpq s PHE 87 Cb -0.11 -0.57 -0.07 0.00 -0.34 0.00 0.00 43.02 41.92 2rpq s PHE 87 CO 0.02 -0.02 0.63 -1.14 -1.46 0.00 0.00 175.22 173.25 2rpq s GLN 88 N -0.21 4.26 0.00 10.12 0.74 -1.26 -1.10 119.66 132.21 2rpq s GLN 88 Ca 0.03 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.26 2rpq s GLN 88 Cb -0.04 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.91 2rpq s GLN 88 CO -0.00 0.57 0.00 1.04 -0.55 0.00 0.00 175.29 176.35 2rpq n GLN 89 N 1.45 3.17 -1.89 1.67 1.13 0.41 -4.94 117.38 118.37 2rpq n GLN 89 Ca -0.08 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.56 2rpq n GLN 89 Cb 0.50 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.83 2rpq n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2rpq s GLN 90 N 4.82 3.63 0.50 -1.09 0.74 -1.26 -5.00 119.66 122.00 2rpq s GLN 90 Ca 0.00 1.90 -0.16 0.00 0.05 0.00 0.00 55.36 57.14 2rpq s GLN 90 Cb 0.00 -4.16 -0.08 0.00 1.10 0.00 0.00 33.01 29.87 2rpq s GLN 90 CO 0.00 -1.51 0.96 0.95 -0.55 0.00 0.00 175.29 175.15 2rpq s THR 91 N 6.05 4.54 0.00 -0.34 -4.23 -1.26 -4.30 115.64 116.10 2rpq s THR 91 Ca 0.83 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 62.54 2rpq s THR 91 Cb -0.30 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2rpq s THR 91 CO 0.33 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2rpq n GLY 92 N -1.46 0.85 0.00 3.99 0.00 -1.26 -5.23 105.19 102.07 2rpq n GLY 92 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93