#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 0.91 -2.58 3.04 0.00 -2.13 -3.41 119.26 115.09 2rpq h ALA 2 Ca 0.00 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 2rpq h ALA 2 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2rpq h ALA 2 CO 0.00 0.58 -0.02 -0.51 0.00 0.00 0.00 179.25 179.30 2rpq s ASP 3 N -6.31 6.92 0.06 0.00 1.01 -1.26 -5.10 116.67 112.00 2rpq s ASP 3 Ca -0.12 1.20 -0.25 0.00 0.71 0.00 0.00 52.55 54.09 2rpq s ASP 3 Cb 0.14 -2.33 0.06 0.00 1.01 0.00 0.00 42.92 41.80 2rpq s ASP 3 CO 0.83 0.10 0.59 -1.83 0.21 0.00 0.00 175.17 175.06 2rpq s GLU 4 N -1.89 1.13 0.38 8.23 -1.05 -1.26 -5.16 118.70 119.08 2rpq s GLU 4 Ca 0.39 -0.20 -0.27 0.00 -0.15 0.00 0.00 54.97 54.73 2rpq s GLU 4 Cb -0.16 0.52 -0.10 0.00 -0.44 0.00 0.00 34.13 33.96 2rpq s GLU 4 CO 0.20 -0.43 1.35 0.21 0.95 0.00 0.00 175.26 177.54 2rpq s LYS 5 N -2.61 4.12 0.90 -4.83 2.47 -1.26 -5.02 119.74 113.52 2rpq s LYS 5 Ca -0.04 2.28 -0.16 0.00 -1.56 0.00 0.00 55.97 56.49 2rpq s LYS 5 Cb -0.01 -2.91 -0.07 0.00 -1.46 0.00 0.00 37.83 33.38 2rpq s LYS 5 CO -0.03 -0.41 -0.15 -2.30 0.16 0.00 0.00 175.35 172.62 2rpq n PRO 6 N 0.42 -0.06 -0.07 4.03 -0.02 -1.26 -4.98 135.00 133.07 2rpq n PRO 6 Ca 0.02 0.01 0.02 0.00 -2.02 0.00 0.00 63.50 61.52 2rpq n PRO 6 Cb 0.42 -1.41 0.06 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.54 2.92 -1.78 -0.52 4.76 -1.26 -5.06 118.16 117.76 2rpq n LYS 7 Ca 0.03 -1.70 -0.40 0.00 -2.87 0.00 0.00 58.31 53.38 2rpq n LYS 7 Cb 0.54 -1.10 0.02 0.00 -1.84 0.00 0.00 35.03 32.64 2rpq n LYS 7 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2rpq s GLU 8 N -0.99 3.69 0.15 1.97 2.02 -1.26 -4.98 118.70 119.30 2rpq s GLU 8 Ca 0.09 2.45 -0.30 0.00 0.02 0.00 0.00 54.97 57.22 2rpq s GLU 8 Cb 0.05 -2.67 -0.08 0.00 0.10 0.00 0.00 34.13 31.53 2rpq s GLU 8 CO 0.06 -0.83 1.25 0.20 0.02 0.00 0.00 175.26 175.96 2rpq s GLY 9 N -0.46 2.47 0.00 -1.39 0.00 -1.26 -4.94 107.32 101.73 2rpq s GLY 9 Ca 0.61 0.99 0.00 0.00 0.00 0.00 0.00 44.72 46.32 2rpq s GLY 9 CO 0.57 2.01 0.32 3.33 0.00 0.00 0.00 173.10 179.34 2rpq n VAL 10 N 3.02 0.00 -2.78 1.40 0.24 -1.26 -4.78 118.33 114.18 2rpq n VAL 10 Ca 0.07 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.53 2rpq n VAL 10 Cb 0.44 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2rpq n VAL 10 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2rpq n LYS 11 N -0.26 4.82 -0.00 7.34 3.00 -1.26 -4.70 118.16 127.10 2rpq n LYS 11 Ca 0.00 -4.68 0.10 0.00 -0.00 0.00 0.00 58.31 53.73 2rpq n LYS 11 Cb 0.02 -2.43 -0.11 0.00 0.00 0.00 0.00 35.03 32.51 2rpq n LYS 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2rpq n THR 12 N 0.18 0.00 -3.93 3.15 -2.24 -1.26 -5.02 114.28 105.16 2rpq n THR 12 Ca 0.40 -0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.90 2rpq n THR 12 Cb 0.30 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.54 -3.25 0.00 -0.78 1.02 -1.26 -4.91 120.64 109.91 2rpq n GLU 13 Ca 0.04 0.42 0.10 0.00 -0.02 0.00 0.00 57.16 57.69 2rpq n GLU 13 Cb 0.34 -4.53 -0.07 0.00 -0.02 0.00 0.00 31.44 27.17 2rpq n GLU 13 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2rpq n ASN 14 N -2.97 1.36 -4.29 1.62 6.94 -1.26 -4.92 115.26 111.74 2rpq n ASN 14 Ca -0.30 -1.18 -0.29 0.00 -0.02 0.00 0.00 54.58 52.79 2rpq n ASN 14 Cb 0.68 0.79 -0.15 0.00 -2.36 0.00 0.00 39.78 38.74 2rpq n ASN 14 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2rpq s ASN 15 N -2.68 2.86 0.12 0.53 -0.87 -1.26 -5.04 114.94 108.60 2rpq s ASN 15 Ca 0.12 -0.48 -0.12 0.00 -1.57 0.00 0.00 52.86 50.80 2rpq s ASN 15 Cb 0.16 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.25 41.02 2rpq s ASN 15 CO 0.71 0.27 1.42 0.44 -2.57 0.00 0.00 177.10 177.37 2rpq h ASP 16 N 5.27 0.94 -2.68 -1.22 3.32 -1.94 -3.43 116.42 116.67 2rpq h ASP 16 Ca -0.43 -0.51 -0.54 0.00 0.02 0.00 0.00 57.03 55.58 2rpq h ASP 16 Cb 1.13 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 40.43 2rpq h ASP 16 CO 0.46 1.26 1.01 -1.38 -1.72 0.00 0.00 179.24 178.87 2rpq s HIS 17 N -4.23 2.36 0.08 4.55 -3.43 -1.26 -1.70 115.29 111.66 2rpq s HIS 17 Ca -0.11 0.31 -0.04 0.00 -0.80 0.00 0.00 55.06 54.41 2rpq s HIS 17 Cb 0.10 -3.95 -0.02 0.00 -1.43 0.00 0.00 32.58 27.27 2rpq s HIS 17 CO 0.88 -3.84 0.08 0.96 -2.00 0.00 0.00 174.74 170.81 2rpq s ILE 18 N 2.85 0.17 0.03 -5.38 -4.36 0.54 -4.93 121.20 110.11 2rpq s ILE 18 Ca 0.74 -1.56 0.05 0.00 -0.26 0.00 0.00 60.65 59.62 2rpq s ILE 18 Cb -0.39 -1.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 2rpq s ILE 18 CO 0.32 -0.78 -0.13 0.20 0.24 0.00 0.00 174.94 174.79 2rpq s ASN 19 N -2.91 4.18 0.10 4.36 0.01 0.14 -0.31 114.94 120.50 2rpq s ASN 19 Ca 0.08 -0.30 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 2rpq s ASN 19 Cb 0.07 -0.83 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 2rpq s ASN 19 CO -0.09 0.27 -0.09 -1.48 -1.51 0.00 0.00 177.10 174.20 2rpq s LEU 20 N -1.44 2.43 0.08 0.60 2.34 -0.35 -1.61 118.68 120.73 2rpq s LEU 20 Ca 0.16 -0.86 0.06 0.00 0.06 0.00 0.00 54.13 53.54 2rpq s LEU 20 Cb -0.11 -0.24 -0.03 0.00 -0.56 0.00 0.00 46.19 45.25 2rpq s LEU 20 CO 0.06 -0.32 -0.16 -1.59 -1.06 0.00 0.00 176.35 173.29 2rpq s LYS 21 N -3.06 0.91 -0.14 1.48 0.00 -0.02 -0.33 119.74 118.56 2rpq s LYS 21 Ca 0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 55.97 54.99 2rpq s LYS 21 Cb -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 37.83 36.86 2rpq s LYS 21 CO -0.01 0.21 -0.11 0.08 0.00 0.00 0.00 175.35 175.52 2rpq s VAL 22 N -1.37 3.23 -0.04 1.79 1.01 -0.34 -1.38 120.40 123.29 2rpq s VAL 22 Ca 0.01 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2rpq s VAL 22 Cb -0.09 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2rpq s VAL 22 CO 0.03 0.51 -0.22 0.00 0.00 0.00 0.00 175.10 175.42 2rpq s ALA 23 N 0.44 1.91 0.00 5.51 0.00 -0.11 -1.82 121.76 127.69 2rpq s ALA 23 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2rpq s ALA 23 Cb -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2rpq s ALA 23 CO 0.04 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2rpq n GLY 24 N 2.91 0.36 5.00 0.00 0.00 -0.32 -2.11 105.19 111.03 2rpq n GLY 24 Ca -0.17 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2rpq n GLY 24 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rpq n GLN 25 N 0.00 0.00 -0.69 1.61 0.00 -1.26 -0.59 117.38 116.45 2rpq n GLN 25 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 2rpq n GLN 25 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 2rpq n GLN 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2rpq n ASP 26 N 3.24 -0.10 0.00 1.69 2.03 -1.26 -4.95 116.55 117.20 2rpq n ASP 26 Ca 0.00 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.79 2rpq n ASP 26 Cb 0.00 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rpq n GLY 27 N 0.05 0.95 3.59 0.27 0.00 -0.89 -5.08 105.19 104.08 2rpq n GLY 27 Ca -0.05 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 2rpq n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpq s SER 28 N -2.49 5.51 -0.10 1.61 0.15 0.25 -4.90 113.70 113.73 2rpq s SER 28 Ca 0.00 0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.69 2rpq s SER 28 Cb 0.00 -1.95 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2rpq s SER 28 CO 0.00 0.13 -0.15 -0.69 1.20 0.00 0.00 173.24 173.73 2rpq s VAL 29 N 0.61 1.43 -0.02 4.45 1.01 -1.26 -1.17 120.40 125.45 2rpq s VAL 29 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2rpq s VAL 29 Cb -0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2rpq s VAL 29 CO 0.01 0.43 -0.14 0.54 0.00 0.00 0.00 175.10 175.94 2rpq s VAL 30 N 0.87 1.11 0.24 2.92 0.11 -0.76 -4.99 120.40 119.91 2rpq s VAL 30 Ca -0.09 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 2rpq s VAL 30 Cb -0.15 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2rpq s VAL 30 CO 0.01 0.32 0.33 0.00 -3.33 0.00 0.00 175.10 172.43 2rpq s GLN 31 N -0.13 3.35 -0.02 1.54 1.03 -1.26 -1.20 119.66 122.96 2rpq s GLN 31 Ca 0.01 -0.81 -0.02 0.00 0.04 0.00 0.00 55.36 54.58 2rpq s GLN 31 Cb -0.07 -2.83 0.01 0.00 0.03 0.00 0.00 33.01 30.14 2rpq s GLN 31 CO 0.00 0.42 0.07 -0.06 -2.54 0.00 0.00 175.29 173.18 2rpq s PHE 32 N -2.01 -0.06 -0.31 9.60 0.40 0.55 -4.97 117.98 121.18 2rpq s PHE 32 Ca 0.34 0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 2rpq s PHE 32 Cb -0.09 0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.43 2rpq s PHE 32 CO 0.28 -0.05 0.19 0.21 0.70 0.00 0.00 175.22 176.56 2rpq s LYS 33 N -0.06 3.62 0.05 0.44 2.20 -1.26 -1.21 119.74 123.52 2rpq s LYS 33 Ca -0.01 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2rpq s LYS 33 Cb -0.01 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 2rpq s LYS 33 CO 0.00 -0.33 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.11 2rpq s ILE 34 N 1.70 0.32 0.25 5.43 2.07 0.57 -4.99 121.20 126.56 2rpq s ILE 34 Ca 0.06 -1.40 0.11 0.00 -1.41 0.00 0.00 60.65 58.01 2rpq s ILE 34 Cb -0.17 -0.96 -0.05 0.00 0.13 0.00 0.00 42.46 41.41 2rpq s ILE 34 CO 0.09 -0.70 -0.19 -0.54 -1.91 0.00 0.00 174.94 171.70 2rpq s LYS 35 N -2.66 1.56 0.47 3.50 3.01 -1.26 -0.34 119.74 124.02 2rpq s LYS 35 Ca -0.03 -1.69 0.30 0.00 -1.01 0.00 0.00 55.97 53.55 2rpq s LYS 35 Cb -0.02 -1.59 1.19 0.00 -1.01 0.00 0.00 37.83 36.40 2rpq s LYS 35 CO -0.04 0.30 1.89 0.00 0.51 0.00 0.00 175.35 178.01 2rpq h ARG 36 N 2.46 0.00 0.00 1.68 3.08 -1.70 -1.40 114.38 118.50 2rpq h ARG 36 Ca -0.40 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.46 2rpq h ARG 36 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 2rpq h ARG 36 CO 0.59 0.00 -0.99 0.45 -1.07 0.00 0.00 179.97 178.95 2rpq h HIS 37 N 0.00 0.00 -2.60 3.04 3.86 -1.97 -3.37 115.15 114.11 2rpq h HIS 37 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 2rpq h HIS 37 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2rpq h HIS 37 CO 0.00 0.86 1.17 0.99 0.86 0.00 0.00 177.93 181.82 2rpq s THR 38 N -2.76 3.51 0.82 2.45 2.01 -0.53 -4.88 115.64 116.26 2rpq s THR 38 Ca 0.01 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 2rpq s THR 38 Cb 0.09 -3.49 0.09 0.00 0.01 0.00 0.00 72.50 69.20 2rpq s THR 38 CO 0.80 -0.17 1.09 -2.16 -0.69 0.00 0.00 174.62 173.49 2rpq s PRO 39 N 4.69 1.85 0.51 4.92 0.04 -1.26 -4.53 135.00 141.22 2rpq s PRO 39 Ca 0.77 1.06 0.25 0.00 0.04 0.00 0.00 61.00 63.12 2rpq s PRO 39 Cb -0.30 -1.86 1.36 0.00 0.04 0.00 0.00 34.50 33.74 2rpq s PRO 39 CO 0.31 -1.89 2.05 1.37 0.04 0.00 0.00 177.00 178.88 2rpq h LEU 40 N -1.31 0.00 -1.99 -3.56 8.10 -1.82 -1.65 115.31 113.07 2rpq h LEU 40 Ca -0.46 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.73 2rpq h LEU 40 Cb 1.25 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.44 2rpq h LEU 40 CO 0.52 0.14 0.50 0.77 -4.11 0.00 0.00 178.44 176.26 2rpq h SER 41 N 0.00 0.00 -0.07 0.17 4.64 -1.87 -2.59 113.55 113.83 2rpq h SER 41 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2rpq h SER 41 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2rpq h SER 41 CO 0.02 0.00 -0.21 0.50 -0.87 0.00 0.00 176.83 176.27 2rpq h LYS 42 N 0.00 0.27 -0.05 4.77 1.63 -1.65 -1.83 116.57 119.72 2rpq h LYS 42 Ca 0.31 -0.19 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 2rpq h LYS 42 Cb 1.32 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 2rpq h LYS 42 CO -0.00 0.81 -0.50 1.37 -3.45 0.00 0.00 179.45 177.67 2rpq h LEU 43 N -0.22 0.13 -0.43 5.20 -0.00 -1.72 -1.03 115.31 117.25 2rpq h LEU 43 Ca -0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2rpq h LEU 43 Cb 0.82 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 2rpq h LEU 43 CO 0.04 0.61 0.28 -0.03 -0.00 0.00 0.00 178.44 179.34 2rpq h MET 44 N 0.10 0.55 -0.56 0.17 4.05 -1.37 0.15 114.93 118.01 2rpq h MET 44 Ca 0.00 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 2rpq h MET 44 Cb 0.92 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 2rpq h MET 44 CO 0.07 0.36 0.05 -0.22 0.23 0.00 0.00 176.91 177.40 2rpq h LYS 45 N 0.56 0.93 -0.43 0.39 3.64 -1.22 -2.55 116.57 117.88 2rpq h LYS 45 Ca 0.16 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2rpq h LYS 45 Cb -0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2rpq h LYS 45 CO -0.04 0.89 0.04 0.00 -2.27 0.00 0.00 179.45 178.06 2rpq h ALA 46 N 1.18 1.26 -0.86 5.00 0.00 -0.82 -0.47 119.26 124.55 2rpq h ALA 46 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rpq h ALA 46 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2rpq h ALA 46 CO 0.02 0.50 0.54 -0.92 0.00 0.00 0.00 179.25 179.39 2rpq h TYR 47 N 0.65 1.12 -0.49 0.00 3.20 -0.57 0.73 116.97 121.61 2rpq h TYR 47 Ca 0.14 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2rpq h TYR 47 Cb 0.35 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2rpq h TYR 47 CO 0.02 0.73 0.15 0.00 -1.64 0.00 0.00 178.16 177.42 2rpq h GLU 49 N 0.65 -0.09 -0.14 0.00 5.08 -0.75 -2.22 114.58 117.11 2rpq h GLU 49 Ca 0.16 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 2rpq h GLU 49 Cb 0.28 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2rpq h GLU 49 CO -0.00 0.21 -0.47 0.00 -1.00 0.00 0.00 179.01 177.74 2rpq h ARG 50 N -0.39 0.57 -0.13 2.33 3.08 -0.92 -3.37 114.38 115.54 2rpq h ARG 50 Ca -0.01 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2rpq h ARG 50 Cb 0.34 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2rpq h ARG 50 CO 0.02 1.04 0.00 1.04 -1.07 0.00 0.00 179.97 181.00 2rpq n GLN 51 N -4.23 2.73 -1.00 0.04 1.13 -0.08 -4.99 117.38 110.98 2rpq n GLN 51 Ca -0.07 -1.94 -0.00 0.00 -1.94 0.00 0.00 57.00 53.05 2rpq n GLN 51 Cb 0.58 -1.23 -0.00 0.00 0.11 0.00 0.00 30.24 29.70 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 0.48 3.87 1.08 0.00 -0.84 -4.93 105.19 104.54 2rpq n GLY 52 Ca 0.08 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.01 3.26 -0.18 0.99 1.43 -1.21 -5.02 118.68 117.94 2rpq s LEU 53 Ca 0.00 1.39 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2rpq s LEU 53 Cb 0.00 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 2rpq s LEU 53 CO 0.00 -0.85 0.09 -0.44 0.23 0.00 0.00 176.35 175.38 2rpq s SER 54 N -4.17 5.87 0.30 2.29 0.01 -1.26 -4.51 113.70 112.22 2rpq s SER 54 Ca 0.55 0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.94 2rpq s SER 54 Cb -0.11 -2.00 0.44 0.00 0.21 0.00 0.00 66.02 64.56 2rpq s SER 54 CO 0.53 0.19 1.97 -0.03 0.41 0.00 0.00 173.24 176.31 2rpq h MET 55 N 6.58 1.09 -0.11 12.44 4.05 -1.94 -1.76 114.93 135.28 2rpq h MET 55 Ca -0.39 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 2rpq h MET 55 Cb 1.16 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2rpq h MET 55 CO 0.72 0.72 0.00 2.89 0.23 0.00 0.00 176.91 181.47 2rpq n ARG 56 N -4.41 2.03 0.00 0.39 1.85 -1.26 -3.57 116.66 111.69 2rpq n ARG 56 Ca 0.10 -1.51 0.09 0.00 -1.00 0.00 0.00 57.85 55.52 2rpq n ARG 56 Cb 0.03 -1.46 -0.08 0.00 -1.05 0.00 0.00 32.46 29.90 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 0.79 0.96 -5.06 2.89 3.00 -0.68 -4.55 117.38 114.73 2rpq n GLN 57 Ca 0.17 -0.29 -0.32 0.00 -0.01 0.00 0.00 57.00 56.55 2rpq n GLN 57 Cb 0.47 -1.39 -0.15 0.00 0.00 0.00 0.00 30.24 29.17 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2rpq s ILE 58 N -2.62 2.60 0.05 5.09 -4.36 -1.11 -0.50 121.20 120.35 2rpq s ILE 58 Ca 0.10 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 59.61 2rpq s ILE 58 Cb 0.15 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 2rpq s ILE 58 CO 0.69 0.58 -0.05 -0.13 0.24 0.00 0.00 174.94 176.27 2rpq s ARG 59 N -0.49 0.56 0.10 0.37 1.81 -0.62 -4.91 118.95 115.77 2rpq s ARG 59 Ca 0.06 -0.97 0.08 0.00 -1.72 0.00 0.00 55.73 53.18 2rpq s ARG 59 Cb -0.12 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2rpq s ARG 59 CO 0.01 -0.04 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.36 2rpq s PHE 60 N -2.60 2.56 0.04 -0.53 0.08 -1.26 -0.85 117.98 115.43 2rpq s PHE 60 Ca -0.02 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.80 2rpq s PHE 60 Cb -0.02 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2rpq s PHE 60 CO -0.04 0.36 -0.07 -0.98 -0.10 0.00 0.00 175.22 174.38 2rpq s ARG 61 N -1.97 0.52 -0.25 0.44 1.70 0.22 -2.70 118.95 116.92 2rpq s ARG 61 Ca 0.17 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.69 2rpq s ARG 61 Cb -0.11 -0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.08 2rpq s ARG 61 CO 0.09 0.04 -0.05 0.12 -1.08 0.00 0.00 175.30 174.42 2rpq s PHE 62 N -1.42 2.58 0.00 5.89 5.36 -0.02 -1.94 117.98 128.42 2rpq s PHE 62 Ca -0.10 -1.91 0.00 0.00 -0.96 0.00 0.00 56.93 53.96 2rpq s PHE 62 Cb -0.10 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 2rpq s PHE 62 CO 0.00 -0.80 0.00 -0.25 -1.46 0.00 0.00 175.22 172.71 2rpq n ASP 63 N 4.62 0.00 0.00 6.13 8.00 -1.26 -0.36 116.55 133.68 2rpq n ASP 63 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2rpq n ASP 63 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rpq n GLY 64 N 0.00 2.66 3.13 0.44 0.00 -1.26 -4.94 105.19 105.22 2rpq n GLY 64 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 2.49 0.28 1.61 -0.21 0.52 -5.13 119.66 118.81 2rpq s GLN 65 Ca 0.00 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 2rpq s GLN 65 Cb 0.00 -1.95 -0.12 0.00 1.00 0.00 0.00 33.01 31.94 2rpq s GLN 65 CO 0.00 0.10 1.54 -2.30 -2.12 0.00 0.00 175.29 172.51 2rpq n PRO 66 N 3.70 2.51 -5.13 2.91 -0.02 -1.26 -0.84 135.00 136.87 2rpq n PRO 66 Ca -0.20 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 2rpq n PRO 66 Cb 0.52 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 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 -0.06 2.46 0.35 4.25 -4.36 -1.10 -4.87 121.20 117.88 2rpq s ILE 67 Ca 0.65 -0.94 0.08 0.00 -0.26 0.00 0.00 60.65 60.18 2rpq s ILE 67 Cb -0.54 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.22 2rpq s ILE 67 CO 0.49 0.58 0.13 0.20 0.24 0.00 0.00 174.94 176.58 2rpq s ASN 68 N -0.53 4.55 0.21 4.36 0.01 -1.26 -4.58 114.94 117.70 2rpq s ASN 68 Ca 0.07 -0.87 0.23 0.00 -0.71 0.00 0.00 52.86 51.58 2rpq s ASN 68 Cb -0.11 -0.64 0.91 0.00 0.41 0.00 0.00 41.25 41.82 2rpq s ASN 68 CO 0.01 -0.34 1.69 -0.62 -1.51 0.00 0.00 177.10 176.33 2rpq n GLU 69 N -1.14 0.17 0.00 -0.60 1.02 -1.26 -0.95 120.64 117.88 2rpq n GLU 69 Ca -0.03 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 2rpq n GLU 69 Cb 0.62 -1.80 0.31 0.00 -0.02 0.00 0.00 31.44 30.56 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 -2.11 0.00 -2.08 2.62 -1.04 -1.26 -4.55 114.28 105.87 2rpq n THR 70 Ca 0.03 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 2rpq n THR 70 Cb 0.25 0.33 0.04 0.00 -1.82 0.00 0.00 70.33 69.14 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2rpq s ASP 71 N -2.74 5.43 0.17 8.00 1.01 -0.13 -5.06 116.67 123.35 2rpq s ASP 71 Ca 0.18 0.94 -0.13 0.00 0.71 0.00 0.00 52.55 54.25 2rpq s ASP 71 Cb 0.18 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.33 2rpq s ASP 71 CO 0.61 -1.28 0.38 0.42 0.21 0.00 0.00 175.17 175.51 2rpq s THR 72 N -3.24 0.05 0.35 -1.27 -4.23 -1.26 -3.70 115.64 102.35 2rpq s THR 72 Ca 0.57 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2rpq s THR 72 Cb -0.11 -1.66 0.26 0.00 1.34 0.00 0.00 72.50 72.32 2rpq s THR 72 CO 0.49 -0.25 2.00 -0.65 -0.54 0.00 0.00 174.62 175.68 2rpq h PRO 73 N 2.40 0.79 -0.32 3.99 0.11 -1.80 -2.05 132.00 135.13 2rpq h PRO 73 Ca -0.31 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 2rpq h PRO 73 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2rpq h PRO 73 CO 0.44 0.54 -0.06 0.00 -0.21 0.00 0.00 178.00 178.71 2rpq h ALA 74 N 1.61 0.44 -0.22 -0.75 0.00 -1.93 -0.34 119.26 118.07 2rpq h ALA 74 Ca 0.22 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2rpq h ALA 74 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2rpq h ALA 74 CO -0.04 0.26 -0.13 1.96 0.00 0.00 0.00 179.25 181.29 2rpq h GLN 75 N 0.40 0.48 -0.00 0.00 1.08 -1.93 -3.21 115.11 111.93 2rpq h GLN 75 Ca 0.08 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2rpq h GLN 75 Cb 0.54 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2rpq h GLN 75 CO 0.03 0.77 -0.40 -0.11 -0.95 0.00 0.00 178.83 178.17 2rpq n LEU 76 N -4.50 0.63 -2.92 1.46 7.94 -0.78 -4.96 117.00 113.87 2rpq n LEU 76 Ca -0.05 -0.05 -0.17 0.00 -1.11 0.00 0.00 56.01 54.63 2rpq n LEU 76 Cb 0.36 -0.22 0.07 0.00 0.53 0.00 0.00 43.42 44.15 2rpq n LEU 76 CO 0.40 0.14 0.15 -0.62 -1.11 0.00 0.00 177.39 176.35 2rpq n GLU 77 N -1.24 -5.83 -1.26 1.96 1.02 -0.20 -5.02 120.64 110.07 2rpq n GLU 77 Ca 0.08 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.52 2rpq n GLU 77 Cb 0.34 -5.15 0.10 0.00 -0.02 0.00 0.00 31.44 26.71 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2rpq n MET 78 N -3.80 0.38 -3.35 3.49 2.81 -0.84 -5.04 117.12 110.78 2rpq n MET 78 Ca -0.09 0.19 -0.12 0.00 -1.81 0.00 0.00 57.70 55.88 2rpq n MET 78 Cb 0.58 -2.26 -0.04 0.00 -0.71 0.00 0.00 33.22 30.79 2rpq n MET 78 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2rpq n GLU 79 N -2.22 0.31 0.07 0.03 4.07 -1.26 -4.95 120.64 116.69 2rpq n GLU 79 Ca 0.13 -2.05 0.21 0.00 -0.06 0.00 0.00 57.16 55.38 2rpq n GLU 79 Cb 0.50 1.75 0.74 0.00 -0.06 0.00 0.00 31.44 34.37 2rpq n GLU 79 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2rpq h ASP 80 N 1.30 0.00 -1.61 4.31 2.03 -1.92 -2.62 116.42 117.92 2rpq h ASP 80 Ca -0.16 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.71 2rpq h ASP 80 Cb 0.77 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.87 2rpq h ASP 80 CO 0.22 0.00 -1.19 -0.62 -1.03 0.00 0.00 179.24 176.63 2rpq n GLU 81 N -3.83 1.03 -1.15 4.15 1.02 -0.95 -0.68 120.64 120.23 2rpq n GLU 81 Ca 0.08 -3.31 -0.30 0.00 -0.02 0.00 0.00 57.16 53.61 2rpq n GLU 81 Cb 0.63 -1.52 0.12 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.65 3.80 -0.11 1.62 -1.08 -0.63 -4.79 116.67 112.82 2rpq s ASP 82 Ca 0.35 1.72 -0.01 0.00 -0.52 0.00 0.00 52.55 54.09 2rpq s ASP 82 Cb 0.39 -2.38 0.03 0.00 -1.46 0.00 0.00 42.92 39.50 2rpq s ASP 82 CO -0.04 -2.47 -0.04 -0.89 0.52 0.00 0.00 175.17 172.25 2rpq s THR 83 N -2.87 0.79 -0.01 1.71 2.01 -1.26 -0.85 115.64 115.16 2rpq s THR 83 Ca 0.63 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.50 2rpq s THR 83 Cb -0.18 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 2rpq s THR 83 CO 0.57 0.28 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.90 2rpq s ILE 84 N 1.80 2.19 -0.09 1.82 1.01 -0.48 -4.94 121.20 122.51 2rpq s ILE 84 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2rpq s ILE 84 Cb -0.13 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2rpq s ILE 84 CO -0.07 0.55 -0.08 -1.81 0.00 0.00 0.00 174.94 173.53 2rpq s ASP 85 N -0.73 4.55 -0.10 3.58 1.01 -0.82 -0.94 116.67 123.22 2rpq s ASP 85 Ca 0.11 -0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 2rpq s ASP 85 Cb -0.10 -1.28 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 2rpq s ASP 85 CO -0.00 0.31 -0.03 0.54 0.21 0.00 0.00 175.17 176.20 2rpq s VAL 86 N -0.50 4.01 0.03 -1.27 0.11 -0.90 -0.61 120.40 121.27 2rpq s VAL 86 Ca 0.07 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 58.85 2rpq s VAL 86 Cb -0.12 -2.69 -0.02 0.00 -1.53 0.00 0.00 36.38 32.01 2rpq s VAL 86 CO 0.02 0.57 -0.23 0.12 -3.33 0.00 0.00 175.10 172.24 2rpq s PHE 87 N -0.46 2.05 0.02 1.54 5.36 -0.03 -4.22 117.98 122.25 2rpq s PHE 87 Ca 0.08 -0.39 -0.23 0.00 -0.96 0.00 0.00 56.93 55.43 2rpq s PHE 87 Cb -0.12 -1.25 -0.06 0.00 -0.34 0.00 0.00 43.02 41.26 2rpq s PHE 87 CO 0.02 0.07 0.67 -0.65 -1.46 0.00 0.00 175.22 173.88 2rpq s GLN 88 N -1.05 4.40 0.29 10.12 -0.21 -1.26 -1.59 119.66 130.36 2rpq s GLN 88 Ca 0.09 0.89 0.03 0.00 0.02 0.00 0.00 55.36 56.40 2rpq s GLN 88 Cb -0.09 -3.35 -0.06 0.00 1.00 0.00 0.00 33.01 30.51 2rpq s GLN 88 CO 0.01 0.35 0.05 -0.65 -2.12 0.00 0.00 175.29 172.93 2rpq s GLN 89 N -0.19 1.54 -1.44 2.91 -1.52 0.35 -4.95 119.66 116.36 2rpq s GLN 89 Ca 0.34 -1.84 -0.04 0.00 -1.95 0.00 0.00 55.36 51.87 2rpq s GLN 89 Cb -0.19 -0.72 0.03 0.00 -0.22 0.00 0.00 33.01 31.91 2rpq s GLN 89 CO 0.20 -0.18 0.60 1.04 -0.25 0.00 0.00 175.29 176.70 2rpq n GLN 90 N -0.59 -3.93 -2.87 2.91 6.02 -1.26 -4.38 117.38 113.28 2rpq n GLN 90 Ca -0.02 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.02 2rpq n GLN 90 Cb 0.66 -4.87 -0.04 0.00 1.02 0.00 0.00 30.24 27.01 2rpq n GLN 90 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2rpq s THR 91 N -3.72 4.87 0.00 5.09 2.01 -1.26 -3.43 115.64 119.20 2rpq s THR 91 Ca 0.18 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.86 2rpq s THR 91 Cb -0.10 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2rpq s THR 91 CO 0.87 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 2rpq n GLY 92 N 3.41 0.52 0.00 4.40 0.00 -1.26 -5.25 105.19 107.01 2rpq n GLY 92 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93