#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 0.99 -0.26 3.04 0.00 -2.06 -3.30 119.26 117.67 2rpq h ALA 2 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2rpq h ALA 2 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rpq h ALA 2 CO 0.00 0.60 0.11 0.38 0.00 0.00 0.00 179.25 180.34 2rpq h ASP 3 N 0.59 0.35 -4.54 0.00 2.03 -2.13 -3.45 116.42 109.27 2rpq h ASP 3 Ca 0.09 -0.15 -0.08 0.00 -0.73 0.00 0.00 57.03 56.15 2rpq h ASP 3 Cb 0.68 -0.09 -0.21 0.00 -0.83 0.00 0.00 39.33 38.88 2rpq h ASP 3 CO 0.05 0.41 -0.01 -0.70 -1.03 0.00 0.00 179.24 177.95 2rpq s GLU 4 N -5.60 0.80 0.51 4.15 2.56 -1.24 -5.16 118.70 114.72 2rpq s GLU 4 Ca -0.13 0.40 -0.22 0.00 0.00 0.00 0.00 54.97 55.01 2rpq s GLU 4 Cb 0.08 0.38 -0.06 0.00 2.00 0.00 0.00 34.13 36.53 2rpq s GLU 4 CO 0.72 -0.19 1.24 -1.59 -0.56 0.00 0.00 175.26 174.88 2rpq s LYS 5 N -0.57 3.42 0.40 4.30 -2.85 -1.25 0.50 119.74 123.69 2rpq s LYS 5 Ca -0.07 1.94 -0.24 0.00 -1.00 0.00 0.00 55.97 56.60 2rpq s LYS 5 Cb -0.03 -2.28 -0.09 0.00 -2.06 0.00 0.00 37.83 33.38 2rpq s LYS 5 CO 0.05 -0.88 1.05 -1.25 0.10 0.00 0.00 175.35 174.43 2rpq s PRO 6 N -2.88 4.16 0.20 1.78 0.04 -1.26 -4.75 135.00 132.29 2rpq s PRO 6 Ca 0.69 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2rpq s PRO 6 Cb -0.33 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2rpq s PRO 6 CO 0.39 -0.15 0.08 -1.59 0.04 0.00 0.00 177.00 175.77 2rpq s LYS 7 N -2.50 1.20 0.55 4.56 -2.85 -1.26 -5.10 119.74 114.35 2rpq s LYS 7 Ca 0.58 -1.62 -0.21 0.00 -1.00 0.00 0.00 55.97 53.71 2rpq s LYS 7 Cb -0.22 -0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.49 2rpq s LYS 7 CO 0.28 -0.28 1.35 0.39 0.10 0.00 0.00 175.35 177.18 2rpq n GLU 8 N -0.29 1.65 0.00 1.78 1.02 -1.26 -4.92 120.64 118.61 2rpq n GLU 8 Ca -0.02 0.61 0.14 0.00 -0.02 0.00 0.00 57.16 57.87 2rpq n GLU 8 Cb 0.65 -2.56 0.82 0.00 -0.02 0.00 0.00 31.44 30.32 2rpq n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpq n GLY 9 N 0.78 -1.04 3.72 0.62 0.00 -1.26 -4.91 105.19 103.10 2rpq n GLY 9 Ca 0.11 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2rpq n GLY 9 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2rpq n VAL 10 N -1.11 1.95 -4.90 1.61 3.14 -1.26 -5.03 118.33 112.74 2rpq n VAL 10 Ca 0.19 -0.49 -0.33 0.00 -2.96 0.00 0.00 64.34 60.76 2rpq n VAL 10 Cb 0.15 -1.70 -0.16 0.00 -1.06 0.00 0.00 33.84 31.07 2rpq n VAL 10 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2rpq s LYS 11 N -1.89 3.19 0.00 1.45 1.02 -1.26 -5.00 119.74 117.25 2rpq s LYS 11 Ca 0.55 -0.79 0.17 0.00 0.02 0.00 0.00 55.97 55.92 2rpq s LYS 11 Cb -0.54 -2.48 0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2rpq s LYS 11 CO 0.62 0.14 1.00 0.25 -0.92 0.00 0.00 175.35 176.44 2rpq n THR 12 N 3.67 0.00 -1.31 2.17 -2.24 -1.26 -4.98 114.28 110.33 2rpq n THR 12 Ca -0.19 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.79 2rpq n THR 12 Cb 0.53 1.32 0.11 0.00 -2.10 0.00 0.00 70.33 70.18 2rpq n THR 12 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2rpq s GLU 13 N -1.55 1.91 0.61 -0.78 2.02 -1.26 -5.01 118.70 114.64 2rpq s GLU 13 Ca 0.18 1.86 -0.19 0.00 0.02 0.00 0.00 54.97 56.84 2rpq s GLU 13 Cb 0.14 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 2rpq s GLU 13 CO 0.26 -2.03 1.25 -0.80 0.02 0.00 0.00 175.26 173.97 2rpq s ASN 14 N -1.92 4.97 -0.04 -0.19 -0.87 -1.26 -4.94 114.94 110.68 2rpq s ASN 14 Ca 0.76 2.52 0.13 0.00 -1.57 0.00 0.00 52.86 54.70 2rpq s ASN 14 Cb -0.31 -2.61 0.45 0.00 -0.02 0.00 0.00 41.25 38.76 2rpq s ASN 14 CO 0.47 -1.75 1.34 -0.46 -2.57 0.00 0.00 177.10 174.12 2rpq n ASN 15 N -1.66 2.96 0.07 -1.22 6.94 -1.26 -4.24 115.26 116.86 2rpq n ASN 15 Ca 0.14 -2.17 0.12 0.00 -0.02 0.00 0.00 54.58 52.66 2rpq n ASN 15 Cb 0.49 -0.40 0.19 0.00 -2.36 0.00 0.00 39.78 37.70 2rpq n ASN 15 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2rpq h ASP 16 N 2.72 0.00 -2.32 0.53 2.03 -1.96 -3.48 116.42 113.94 2rpq h ASP 16 Ca 0.00 -0.18 -0.58 0.00 -0.73 0.00 0.00 57.03 55.54 2rpq h ASP 16 Cb 0.86 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.22 2rpq h ASP 16 CO 0.09 0.09 -0.73 -1.38 -1.03 0.00 0.00 179.24 176.28 2rpq s HIS 17 N -3.17 2.22 0.14 4.15 -3.43 -1.26 -3.93 115.29 110.02 2rpq s HIS 17 Ca 0.07 -0.44 0.04 0.00 -0.80 0.00 0.00 55.06 53.92 2rpq s HIS 17 Cb 0.13 -1.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.14 2rpq s HIS 17 CO 0.71 0.60 -0.08 0.96 -2.00 0.00 0.00 174.74 174.92 2rpq s ILE 18 N -2.64 1.02 0.02 -5.38 -4.36 0.54 -4.93 121.20 105.48 2rpq s ILE 18 Ca 0.30 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.70 2rpq s ILE 18 Cb -0.01 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 2rpq s ILE 18 CO 0.14 -0.72 -0.09 0.20 0.24 0.00 0.00 174.94 174.70 2rpq s ASN 19 N -3.15 4.42 0.09 4.36 0.01 -0.24 -0.30 114.94 120.12 2rpq s ASN 19 Ca 0.17 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 2rpq s ASN 19 Cb 0.04 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 2rpq s ASN 19 CO 0.00 0.27 -0.04 -1.48 -1.51 0.00 0.00 177.10 174.34 2rpq s LEU 20 N -1.47 2.45 0.03 0.60 2.34 -0.44 -1.90 118.68 120.29 2rpq s LEU 20 Ca 0.17 -1.02 0.01 0.00 0.06 0.00 0.00 54.13 53.35 2rpq s LEU 20 Cb -0.11 0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.54 2rpq s LEU 20 CO 0.07 -0.53 -0.05 -1.59 -1.06 0.00 0.00 176.35 173.19 2rpq s LYS 21 N -3.88 0.44 -0.13 1.48 -2.85 0.22 -0.32 119.74 114.69 2rpq s LYS 21 Ca 0.11 -0.72 -0.03 0.00 -1.00 0.00 0.00 55.97 54.33 2rpq s LYS 21 Cb 0.06 -0.08 -0.03 0.00 -2.06 0.00 0.00 37.83 35.73 2rpq s LYS 21 CO -0.06 -0.01 -0.03 0.14 0.10 0.00 0.00 175.35 175.49 2rpq s VAL 22 N -1.58 3.96 -0.11 1.79 -7.23 -0.35 -0.31 120.40 116.57 2rpq s VAL 22 Ca -0.12 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 2rpq s VAL 22 Cb -0.09 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 2rpq s VAL 22 CO -0.01 0.52 -0.19 0.00 -0.31 0.00 0.00 175.10 175.11 2rpq s ALA 23 N 0.01 2.37 0.69 1.32 0.00 0.05 -2.12 121.76 124.09 2rpq s ALA 23 Ca 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2rpq s ALA 23 Cb -0.13 -0.99 0.11 0.00 0.00 0.00 0.00 23.12 22.11 2rpq s ALA 23 CO 0.03 0.28 0.71 0.41 0.00 0.00 0.00 175.76 177.18 2rpq n GLY 24 N 3.50 0.30 0.29 0.00 0.00 -0.67 -2.01 105.19 106.60 2rpq n GLY 24 Ca -0.19 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 43.92 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 0.46 -0.04 1.61 4.20 -1.90 -2.05 115.11 117.39 2rpq h GLN 25 Ca -0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2rpq h GLN 25 Cb 0.81 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2rpq h GLN 25 CO 0.23 0.38 0.00 -0.40 -0.67 0.00 0.00 178.83 178.38 2rpq n ASP 26 N -4.40 1.65 0.00 1.46 5.68 -1.26 -4.94 116.55 114.74 2rpq n ASP 26 Ca 0.02 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 2rpq n ASP 26 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 1.19 0.78 3.77 6.12 0.00 -0.77 -5.04 105.19 111.24 2rpq n GLY 27 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.59 6.92 -0.03 1.61 0.01 -1.26 -4.74 113.70 113.62 2rpq s SER 28 Ca 0.00 2.47 0.02 0.00 1.31 0.00 0.00 55.95 59.75 2rpq s SER 28 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2rpq s SER 28 CO 0.00 -0.41 -0.06 0.54 0.41 0.00 0.00 173.24 173.72 2rpq s VAL 29 N -1.20 0.59 -0.02 3.43 0.11 -1.26 -1.66 120.40 120.39 2rpq s VAL 29 Ca 0.49 -0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.36 2rpq s VAL 29 Cb -0.35 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2rpq s VAL 29 CO 0.46 0.21 -0.14 0.54 -3.33 0.00 0.00 175.10 172.84 2rpq s VAL 30 N 0.49 1.10 0.28 2.04 0.11 -0.90 -5.00 120.40 118.53 2rpq s VAL 30 Ca -0.07 -0.58 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 2rpq s VAL 30 Cb -0.10 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 2rpq s VAL 30 CO 0.00 0.32 0.19 0.00 -3.33 0.00 0.00 175.10 172.28 2rpq s GLN 31 N -0.20 2.77 0.06 1.54 1.03 -1.26 -1.21 119.66 122.38 2rpq s GLN 31 Ca 0.03 -1.19 -0.07 0.00 0.04 0.00 0.00 55.36 54.17 2rpq s GLN 31 Cb -0.07 -2.47 -0.01 0.00 0.03 0.00 0.00 33.01 30.49 2rpq s GLN 31 CO -0.00 0.30 0.14 -0.06 -2.54 0.00 0.00 175.29 173.13 2rpq s PHE 32 N -2.22 0.20 -0.21 9.60 0.40 0.56 -4.96 117.98 121.35 2rpq s PHE 32 Ca 0.35 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 2rpq s PHE 32 Cb -0.07 -0.12 0.04 0.00 0.51 0.00 0.00 43.02 43.38 2rpq s PHE 32 CO 0.25 -0.45 -0.16 0.21 0.70 0.00 0.00 175.22 175.77 2rpq s LYS 33 N -3.29 2.61 0.04 0.44 2.20 -1.26 -1.33 119.74 119.14 2rpq s LYS 33 Ca 0.01 -1.01 -0.12 0.00 -0.36 0.00 0.00 55.97 54.48 2rpq s LYS 33 Cb 0.03 -2.66 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2rpq s LYS 33 CO -0.08 -0.36 0.26 -1.50 -0.36 0.00 0.00 175.35 173.31 2rpq s ILE 34 N 1.24 0.09 0.48 5.43 2.07 0.60 -4.94 121.20 126.17 2rpq s ILE 34 Ca -0.01 -0.76 -0.02 0.00 -1.41 0.00 0.00 60.65 58.45 2rpq s ILE 34 Cb -0.16 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.50 2rpq s ILE 34 CO -0.10 -0.42 0.74 -0.54 -1.91 0.00 0.00 174.94 172.71 2rpq s LYS 35 N -2.53 3.15 0.16 3.50 3.01 -1.26 -0.34 119.74 125.44 2rpq s LYS 35 Ca -0.05 -0.23 -0.07 0.00 -1.01 0.00 0.00 55.97 54.61 2rpq s LYS 35 Cb -0.01 -2.46 0.02 0.00 -1.01 0.00 0.00 37.83 34.36 2rpq s LYS 35 CO -0.03 -0.33 1.46 0.00 0.51 0.00 0.00 175.35 176.95 2rpq h ARG 36 N 0.25 0.71 0.00 1.68 3.08 -1.97 -3.26 114.38 114.88 2rpq h ARG 36 Ca -0.46 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.13 2rpq h ARG 36 Cb 1.24 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2rpq h ARG 36 CO 0.59 1.07 -1.08 0.72 -1.07 0.00 0.00 179.97 180.21 2rpq n HIS 37 N -3.98 0.02 -1.76 3.04 8.25 -1.26 -1.57 115.22 117.97 2rpq n HIS 37 Ca -0.04 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 2rpq n HIS 37 Cb 0.62 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 2rpq n HIS 37 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2rpq n THR 38 N -1.62 1.42 -1.83 1.59 -1.04 -1.23 -4.94 114.28 106.63 2rpq n THR 38 Ca 0.03 -0.35 -0.33 0.00 -2.04 0.00 0.00 64.05 61.36 2rpq n THR 38 Cb 0.37 -1.97 0.04 0.00 -1.82 0.00 0.00 70.33 66.95 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 -1.15 2.95 0.55 -2.82 0.04 -1.26 -4.20 135.00 129.11 2rpq s PRO 39 Ca 0.60 1.31 0.27 0.00 0.04 0.00 0.00 61.00 63.22 2rpq s PRO 39 Cb -0.49 -1.98 1.62 0.00 0.04 0.00 0.00 34.50 33.69 2rpq s PRO 39 CO 0.55 -1.12 2.17 1.37 0.04 0.00 0.00 177.00 180.01 2rpq h LEU 40 N 0.10 0.00 -1.99 -3.56 8.10 -1.68 -2.46 115.31 113.82 2rpq h LEU 40 Ca -0.47 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.72 2rpq h LEU 40 Cb 1.24 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.43 2rpq h LEU 40 CO 0.55 0.06 0.52 0.77 -4.11 0.00 0.00 178.44 176.22 2rpq h SER 41 N 0.00 0.00 -0.48 0.17 4.64 -1.83 -2.97 113.55 113.08 2rpq h SER 41 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2rpq h SER 41 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2rpq h SER 41 CO 0.01 0.00 -0.06 0.50 -0.87 0.00 0.00 176.83 176.41 2rpq h LYS 42 N 0.00 0.88 -0.44 4.77 1.63 -1.81 0.64 116.57 122.23 2rpq h LYS 42 Ca 0.32 -0.31 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 2rpq h LYS 42 Cb 1.35 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.89 2rpq h LYS 42 CO -0.00 0.95 -0.10 1.37 -3.45 0.00 0.00 179.45 178.22 2rpq h LEU 43 N 0.73 0.78 -0.74 5.20 -0.00 -1.73 -1.86 115.31 117.67 2rpq h LEU 43 Ca 0.13 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2rpq h LEU 43 Cb 0.59 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 2rpq h LEU 43 CO 0.04 0.90 0.48 -0.03 -0.00 0.00 0.00 178.44 179.83 2rpq h MET 44 N 0.72 0.99 -0.61 0.17 4.05 -1.29 0.17 114.93 119.13 2rpq h MET 44 Ca 0.12 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2rpq h MET 44 Cb 0.58 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 2rpq h MET 44 CO 0.04 0.66 0.36 -0.22 0.23 0.00 0.00 176.91 177.98 2rpq h LYS 45 N 1.01 0.83 -0.30 0.39 1.63 -0.81 -2.68 116.57 116.64 2rpq h LYS 45 Ca 0.27 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 2rpq h LYS 45 Cb -0.10 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 2rpq h LYS 45 CO -0.06 0.60 -0.19 0.00 -3.45 0.00 0.00 179.45 176.35 2rpq h ALA 46 N 1.18 1.11 -0.65 5.00 0.00 -0.88 -2.60 119.26 122.42 2rpq h ALA 46 Ca 0.22 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2rpq h ALA 46 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2rpq h ALA 46 CO -0.04 0.55 0.40 -0.92 0.00 0.00 0.00 179.25 179.24 2rpq h TYR 47 N 0.49 0.75 -0.66 0.00 3.20 -0.51 0.40 116.97 120.65 2rpq h TYR 47 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2rpq h TYR 47 Cb 0.61 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2rpq h TYR 47 CO 0.02 0.43 0.33 0.00 -1.64 0.00 0.00 178.16 177.29 2rpq h GLU 49 N 0.92 0.32 -0.01 0.00 4.39 -1.06 -2.27 114.58 116.86 2rpq h GLU 49 Ca 0.23 -0.12 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 2rpq h GLU 49 Cb 0.11 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2rpq h GLU 49 CO -0.03 0.57 -0.69 0.00 -1.16 0.00 0.00 179.01 177.70 2rpq h ARG 50 N 0.04 0.49 -0.17 2.33 3.08 -0.93 -3.39 114.38 115.82 2rpq h ARG 50 Ca 0.04 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2rpq h ARG 50 Cb 0.45 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2rpq h ARG 50 CO 0.01 1.15 0.00 1.04 -1.07 0.00 0.00 179.97 181.10 2rpq n GLN 51 N -4.14 2.60 -0.94 0.04 1.13 0.36 -5.00 117.38 111.43 2rpq n GLN 51 Ca -0.10 -1.70 0.00 0.00 -1.94 0.00 0.00 57.00 53.26 2rpq n GLN 51 Cb 0.71 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.92 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 0.08 0.55 3.91 1.08 0.00 -0.85 -4.95 105.19 105.01 2rpq n GLY 52 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 3.35 -0.19 0.99 1.43 -1.23 -5.03 118.68 118.00 2rpq s LEU 53 Ca 0.00 0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2rpq s LEU 53 Cb 0.00 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2rpq s LEU 53 CO 0.00 -0.90 0.09 -0.44 0.23 0.00 0.00 176.35 175.33 2rpq s SER 54 N -4.23 5.84 0.54 2.29 0.01 -1.26 -4.51 113.70 112.38 2rpq s SER 54 Ca 0.52 0.13 0.32 0.00 1.31 0.00 0.00 55.95 58.22 2rpq s SER 54 Cb -0.10 -2.01 1.51 0.00 0.21 0.00 0.00 66.02 65.63 2rpq s SER 54 CO 0.46 0.16 2.06 0.00 0.41 0.00 0.00 173.24 176.34 2rpq h MET 55 N 6.77 0.00 -0.01 12.44 -0.00 -1.92 -1.70 114.93 130.50 2rpq h MET 55 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.32 2rpq h MET 55 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 2rpq h MET 55 CO 0.72 0.08 -0.08 2.89 -0.00 0.00 0.00 176.91 180.52 2rpq n ARG 56 N -3.35 1.43 -0.00 -0.10 1.85 -1.26 -3.63 116.66 111.59 2rpq n ARG 56 Ca -0.01 -0.85 0.10 0.00 -1.00 0.00 0.00 57.85 56.09 2rpq n ARG 56 Cb 0.26 -1.48 -0.12 0.00 -1.05 0.00 0.00 32.46 30.07 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 -0.04 0.19 -4.59 2.89 1.13 -0.65 -4.85 117.38 111.45 2rpq n GLN 57 Ca 0.17 -0.01 -0.27 0.00 -1.94 0.00 0.00 57.00 54.95 2rpq n GLN 57 Cb 0.36 -1.48 -0.14 0.00 0.11 0.00 0.00 30.24 29.10 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 -2.97 1.88 0.05 5.09 -4.36 -1.19 -0.53 121.20 119.17 2rpq s ILE 58 Ca 0.07 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2rpq s ILE 58 Cb 0.16 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.19 2rpq s ILE 58 CO 0.85 0.17 -0.05 -0.13 0.24 0.00 0.00 174.94 176.02 2rpq s ARG 59 N -1.48 0.55 0.09 0.37 1.81 -0.62 -4.91 118.95 114.77 2rpq s ARG 59 Ca 0.09 -0.97 0.07 0.00 -1.72 0.00 0.00 55.73 53.20 2rpq s ARG 59 Cb -0.09 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 2rpq s ARG 59 CO 0.03 -0.04 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.42 2rpq s PHE 60 N -2.60 2.68 0.07 -0.53 0.08 -1.26 -1.15 117.98 115.26 2rpq s PHE 60 Ca -0.02 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2rpq s PHE 60 Cb -0.02 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 2rpq s PHE 60 CO -0.04 0.38 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.43 2rpq s ARG 61 N -1.99 0.66 -0.16 0.44 1.70 0.38 -2.67 118.95 117.30 2rpq s ARG 61 Ca 0.19 -1.11 -0.01 0.00 -0.47 0.00 0.00 55.73 54.33 2rpq s ARG 61 Cb -0.11 -0.08 0.05 0.00 -0.57 0.00 0.00 34.95 34.24 2rpq s ARG 61 CO 0.11 -0.03 -0.01 0.12 -1.08 0.00 0.00 175.30 174.40 2rpq s PHE 62 N -3.01 1.34 -1.39 5.89 5.36 0.57 -1.48 117.98 125.25 2rpq s PHE 62 Ca 0.03 -0.89 -0.05 0.00 -0.96 0.00 0.00 56.93 55.06 2rpq s PHE 62 Cb 0.01 -1.15 0.03 0.00 -0.34 0.00 0.00 43.02 41.58 2rpq s PHE 62 CO -0.05 -0.58 0.79 -3.47 -1.46 0.00 0.00 175.22 170.45 2rpq n ASP 63 N 4.97 -2.41 0.00 6.13 2.03 -1.26 -2.00 116.55 124.01 2rpq n ASP 63 Ca -0.10 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.40 2rpq n ASP 63 Cb 0.48 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 36.92 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 -1.64 0.63 3.27 0.27 0.00 -1.26 -5.02 105.19 101.43 2rpq n GLY 64 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.19 2.81 0.33 1.61 -1.52 -0.85 -5.11 119.66 116.75 2rpq s GLN 65 Ca 0.00 -0.86 -0.27 0.00 -1.95 0.00 0.00 55.36 52.27 2rpq s GLN 65 Cb 0.00 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 2rpq s GLN 65 CO 0.00 0.31 1.11 -1.25 -0.25 0.00 0.00 175.29 175.21 2rpq s PRO 66 N 0.04 4.40 0.06 2.91 0.04 -1.26 -0.32 135.00 140.87 2rpq s PRO 66 Ca -0.09 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.81 2rpq s PRO 66 Cb -0.15 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 2rpq s PRO 66 CO 0.06 0.00 -0.26 0.96 0.04 0.00 0.00 177.00 177.80 2rpq s ILE 67 N -1.33 2.15 0.30 0.56 -4.36 -1.09 -4.85 121.20 112.59 2rpq s ILE 67 Ca 0.50 -1.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.52 2rpq s ILE 67 Cb -0.30 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 2rpq s ILE 67 CO 0.38 0.31 0.15 0.20 0.24 0.00 0.00 174.94 176.22 2rpq s ASN 68 N -1.39 4.93 0.21 4.36 0.01 -1.26 -4.64 114.94 117.16 2rpq s ASN 68 Ca 0.12 -0.59 0.23 0.00 -0.71 0.00 0.00 52.86 51.91 2rpq s ASN 68 Cb -0.10 -0.93 0.92 0.00 0.41 0.00 0.00 41.25 41.55 2rpq s ASN 68 CO 0.03 -0.19 1.68 -0.62 -1.51 0.00 0.00 177.10 176.50 2rpq n GLU 69 N -1.14 0.17 0.09 -0.60 1.02 -1.26 -1.00 120.64 117.92 2rpq n GLU 69 Ca -0.05 0.38 0.13 0.00 -0.02 0.00 0.00 57.16 57.60 2rpq n GLU 69 Cb 0.60 -1.81 0.32 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.13 0.52 -2.18 2.62 -1.04 -1.26 -4.26 114.28 106.55 2rpq n THR 70 Ca 0.03 -0.29 -0.26 0.00 -2.04 0.00 0.00 64.05 61.49 2rpq n THR 70 Cb 0.24 -0.42 0.09 0.00 -1.82 0.00 0.00 70.33 68.42 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 -4.44 4.45 0.06 8.00 1.01 -0.17 -4.97 116.67 120.61 2rpq s ASP 71 Ca 0.09 0.35 -0.10 0.00 0.71 0.00 0.00 52.55 53.61 2rpq s ASP 71 Cb 0.13 -0.86 0.00 0.00 1.01 0.00 0.00 42.92 43.20 2rpq s ASP 71 CO 0.64 -1.84 0.20 0.42 0.21 0.00 0.00 175.17 174.81 2rpq s THR 72 N -3.37 0.12 0.45 -1.27 -4.23 -1.26 -2.27 115.64 103.81 2rpq s THR 72 Ca 0.63 -1.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.25 2rpq s THR 72 Cb -0.09 -1.11 0.27 0.00 1.34 0.00 0.00 72.50 72.91 2rpq s THR 72 CO 0.46 -0.55 2.09 -0.65 -0.54 0.00 0.00 174.62 175.43 2rpq h PRO 73 N 3.10 0.33 -0.28 3.99 0.11 -1.73 -1.65 132.00 135.87 2rpq h PRO 73 Ca -0.33 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 2rpq h PRO 73 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2rpq h PRO 73 CO 0.52 0.22 0.07 0.00 -0.21 0.00 0.00 178.00 178.60 2rpq h ALA 74 N 1.84 0.37 -0.44 -0.75 0.00 -1.62 -0.65 119.26 118.00 2rpq h ALA 74 Ca 0.10 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2rpq h ALA 74 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2rpq h ALA 74 CO -0.02 0.03 -0.24 1.96 0.00 0.00 0.00 179.25 180.99 2rpq h GLN 75 N 0.29 0.92 -0.00 0.00 4.20 -1.81 -2.94 115.11 115.77 2rpq h GLN 75 Ca 0.09 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2rpq h GLN 75 Cb 0.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2rpq h GLN 75 CO 0.00 1.05 -0.21 -0.11 -0.67 0.00 0.00 178.83 178.89 2rpq n LEU 76 N -4.10 0.33 -2.91 1.46 7.94 -0.64 -4.96 117.00 114.12 2rpq n LEU 76 Ca -0.00 0.17 -0.17 0.00 -1.11 0.00 0.00 56.01 54.90 2rpq n LEU 76 Cb 0.46 -0.32 0.06 0.00 0.53 0.00 0.00 43.42 44.16 2rpq n LEU 76 CO 0.46 0.07 0.17 -0.62 -1.11 0.00 0.00 177.39 176.36 2rpq n GLU 77 N -1.33 -5.98 -2.05 1.96 1.02 -0.36 -5.02 120.64 108.87 2rpq n GLU 77 Ca 0.09 0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 57.55 2rpq n GLU 77 Cb 0.32 -5.14 0.01 0.00 -0.02 0.00 0.00 31.44 26.61 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 -5.79 3.29 0.25 3.49 -1.94 -0.54 -5.04 119.30 113.02 2rpq s MET 78 Ca 0.35 1.24 0.01 0.00 -1.71 0.00 0.00 55.69 55.58 2rpq s MET 78 Cb -0.15 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 2rpq s MET 78 CO 0.57 -0.84 0.05 0.39 -0.01 0.00 0.00 175.02 175.19 2rpq n GLU 79 N -2.00 0.95 0.18 2.03 -0.58 -1.26 -4.89 120.64 115.07 2rpq n GLU 79 Ca 0.09 -1.97 0.17 0.00 -0.42 0.00 0.00 57.16 55.03 2rpq n GLU 79 Cb 0.53 0.87 0.79 0.00 -0.57 0.00 0.00 31.44 33.06 2rpq n GLU 79 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2rpq h ASP 80 N 0.82 0.00 -2.82 1.62 2.03 -1.93 -3.19 116.42 112.96 2rpq h ASP 80 Ca -0.20 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.53 2rpq h ASP 80 Cb 0.69 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.80 2rpq h ASP 80 CO 0.32 0.00 -0.81 -1.61 -1.03 0.00 0.00 179.24 176.11 2rpq s GLU 81 N -4.71 0.62 0.33 4.15 2.02 -1.13 -1.08 118.70 118.89 2rpq s GLU 81 Ca -0.05 -1.28 0.07 0.00 0.02 0.00 0.00 54.97 53.73 2rpq s GLU 81 Cb 0.16 -1.50 -0.01 0.00 0.10 0.00 0.00 34.13 32.88 2rpq s GLU 81 CO 0.58 -1.15 0.44 -0.51 0.02 0.00 0.00 175.26 174.64 2rpq s ASP 82 N 1.17 5.92 -0.13 -0.19 1.01 -0.80 -4.96 116.67 118.69 2rpq s ASP 82 Ca 0.16 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.22 2rpq s ASP 82 Cb -0.22 -1.25 0.02 0.00 1.01 0.00 0.00 42.92 42.49 2rpq s ASP 82 CO -0.08 -0.39 -0.11 -0.89 0.21 0.00 0.00 175.17 173.91 2rpq s THR 83 N -2.17 1.34 -0.08 -1.27 2.01 -1.26 -0.61 115.64 113.59 2rpq s THR 83 Ca 0.44 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 2rpq s THR 83 Cb -0.09 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2rpq s THR 83 CO 0.30 0.42 0.03 -0.63 -0.69 0.00 0.00 174.62 174.05 2rpq s ILE 84 N 1.57 4.52 -0.10 1.82 1.01 0.58 -4.81 121.20 125.81 2rpq s ILE 84 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 2rpq s ILE 84 Cb -0.13 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 2rpq s ILE 84 CO -0.10 0.57 -0.08 -1.81 0.00 0.00 0.00 174.94 173.53 2rpq s ASP 85 N -1.02 4.54 -0.05 3.58 1.01 -0.55 -0.77 116.67 123.42 2rpq s ASP 85 Ca 0.15 -0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.34 2rpq s ASP 85 Cb -0.11 -1.36 -0.02 0.00 1.01 0.00 0.00 42.92 42.43 2rpq s ASP 85 CO 0.04 0.29 -0.16 -0.69 0.21 0.00 0.00 175.17 174.85 2rpq s VAL 86 N -0.35 2.88 -0.01 -1.27 1.01 -0.85 -0.47 120.40 121.34 2rpq s VAL 86 Ca 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2rpq s VAL 86 Cb -0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2rpq s VAL 86 CO 0.02 0.58 -0.16 0.12 0.00 0.00 0.00 175.10 175.67 2rpq s PHE 87 N -0.60 1.40 -0.15 5.22 5.36 -0.30 -3.84 117.98 125.06 2rpq s PHE 87 Ca 0.09 -0.27 -0.20 0.00 -0.96 0.00 0.00 56.93 55.59 2rpq s PHE 87 Cb -0.11 -0.90 -0.03 0.00 -0.34 0.00 0.00 43.02 41.64 2rpq s PHE 87 CO 0.01 -0.02 0.56 -1.14 -1.46 0.00 0.00 175.22 173.17 2rpq s GLN 88 N -0.38 4.28 0.78 10.12 0.74 -1.26 -1.59 119.66 132.34 2rpq s GLN 88 Ca 0.06 0.55 -0.07 0.00 0.05 0.00 0.00 55.36 55.96 2rpq s GLN 88 Cb -0.06 -3.51 0.13 0.00 1.10 0.00 0.00 33.01 30.67 2rpq s GLN 88 CO -0.01 -0.05 1.09 -0.65 -0.55 0.00 0.00 175.29 175.12 2rpq s GLN 89 N 1.27 1.56 -0.03 1.67 -1.52 0.31 -5.00 119.66 117.92 2rpq s GLN 89 Ca 0.28 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 2rpq s GLN 89 Cb -0.16 -2.15 0.03 0.00 -0.22 0.00 0.00 33.01 30.51 2rpq s GLN 89 CO 0.11 -1.64 0.00 -1.14 -0.25 0.00 0.00 175.29 172.38 2rpq s GLN 90 N -5.37 0.31 -0.02 2.91 2.00 -1.26 -4.98 119.66 113.26 2rpq s GLN 90 Ca 0.66 0.10 -0.21 0.00 -2.00 0.00 0.00 55.36 53.91 2rpq s GLN 90 Cb -0.07 -0.54 0.04 0.00 0.80 0.00 0.00 33.01 33.25 2rpq s GLN 90 CO 0.47 -0.16 0.45 -0.08 -0.50 0.00 0.00 175.29 175.47 2rpq s THR 91 N 1.19 0.04 -1.58 -0.34 -1.32 -1.26 -5.03 115.64 107.33 2rpq s THR 91 Ca -0.07 -0.31 0.30 0.00 -1.21 0.00 0.00 61.69 60.41 2rpq s THR 91 Cb -0.13 -0.80 0.60 0.00 -1.51 0.00 0.00 72.50 70.66 2rpq s THR 91 CO -0.02 -0.17 2.07 0.61 -2.21 0.00 0.00 174.62 174.91 2rpq n GLY 92 N 1.02 -1.18 0.00 6.08 0.00 -1.26 -5.23 105.19 104.61 2rpq n GLY 92 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93