#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 0.69 -3.11 3.04 0.00 -2.06 -3.38 119.26 114.43 2rpq h ALA 2 Ca 0.00 -0.19 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 2rpq h ALA 2 Cb 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 17.79 17.34 2rpq h ALA 2 CO 0.00 0.35 -0.70 -0.51 0.00 0.00 0.00 179.25 178.40 2rpq s ASP 3 N -6.12 4.53 -0.43 0.00 1.01 -1.26 -5.05 116.67 109.36 2rpq s ASP 3 Ca -0.13 -0.28 0.07 0.00 0.71 0.00 0.00 52.55 52.92 2rpq s ASP 3 Cb 0.12 -1.76 0.24 0.00 1.01 0.00 0.00 42.92 42.53 2rpq s ASP 3 CO 0.79 0.05 0.64 1.21 0.21 0.00 0.00 175.17 178.08 2rpq n GLU 4 N 4.30 0.72 -2.00 8.23 2.13 -1.26 -5.12 120.64 127.64 2rpq n GLU 4 Ca -0.18 -2.71 -0.39 0.00 0.66 0.00 0.00 57.16 54.55 2rpq n GLU 4 Cb 0.52 -1.31 0.01 0.00 0.27 0.00 0.00 31.44 30.92 2rpq n GLU 4 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2rpq s LYS 5 N -0.50 3.76 0.28 5.31 -2.85 -1.26 -5.01 119.74 119.48 2rpq s LYS 5 Ca 0.34 2.15 -0.30 0.00 -1.00 0.00 0.00 55.97 57.16 2rpq s LYS 5 Cb 0.18 -2.61 -0.13 0.00 -2.06 0.00 0.00 37.83 33.22 2rpq s LYS 5 CO -0.16 -0.66 1.40 -2.30 0.10 0.00 0.00 175.35 173.73 2rpq n PRO 6 N -0.20 2.17 -3.86 1.78 -0.02 -1.26 -5.02 135.00 128.59 2rpq n PRO 6 Ca 0.05 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2rpq n PRO 6 Cb 0.44 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.89 2.00 0.61 -0.52 -2.85 -1.26 -5.16 119.74 111.67 2rpq s LYS 7 Ca 0.63 -1.28 -0.19 0.00 -1.00 0.00 0.00 55.97 54.13 2rpq s LYS 7 Cb -0.60 0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 2rpq s LYS 7 CO 0.53 -0.92 1.29 -1.83 0.10 0.00 0.00 175.35 174.53 2rpq s GLU 8 N -3.09 2.78 0.95 1.78 -1.05 -1.26 -4.90 118.70 113.92 2rpq s GLU 8 Ca 0.15 2.05 0.00 0.00 -0.15 0.00 0.00 54.97 57.02 2rpq s GLU 8 Cb -0.05 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 2rpq s GLU 8 CO 0.10 -1.41 0.00 0.41 0.95 0.00 0.00 175.26 175.31 2rpq n GLY 9 N 0.78 -1.54 3.66 -3.83 0.00 -1.26 -4.83 105.19 98.17 2rpq n GLY 9 Ca 0.14 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 2rpq n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rpq s VAL 10 N -1.41 5.25 0.44 1.61 1.01 -1.26 -5.04 120.40 121.00 2rpq s VAL 10 Ca 0.00 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 2rpq s VAL 10 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 2rpq s VAL 10 CO 0.00 0.28 1.38 2.29 0.00 0.00 0.00 175.10 179.05 2rpq n LYS 11 N 4.47 2.14 -2.66 2.72 2.85 -1.26 -4.95 118.16 121.48 2rpq n LYS 11 Ca -0.11 0.76 -0.42 0.00 -1.05 0.00 0.00 58.31 57.50 2rpq n LYS 11 Cb 0.51 -2.55 -0.03 0.00 -0.65 0.00 0.00 35.03 32.31 2rpq n LYS 11 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2rpq s THR 12 N -1.20 4.03 -0.16 0.58 2.01 -1.26 -4.93 115.64 114.71 2rpq s THR 12 Ca 0.61 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 2rpq s THR 12 Cb -0.47 -4.91 0.07 0.00 0.01 0.00 0.00 72.50 67.20 2rpq s THR 12 CO 0.58 -1.78 0.35 -0.70 -0.69 0.00 0.00 174.62 172.38 2rpq s GLU 13 N 4.76 0.26 -1.35 4.92 2.12 -1.26 -4.92 118.70 123.22 2rpq s GLU 13 Ca 0.37 0.87 -0.03 0.00 0.36 0.00 0.00 54.97 56.54 2rpq s GLU 13 Cb -0.06 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.48 2rpq s GLU 13 CO 0.01 -0.25 0.76 0.09 -0.54 0.00 0.00 175.26 175.34 2rpq n ASN 14 N 5.16 -1.90 -4.42 -1.70 3.02 -1.26 -5.01 115.26 109.15 2rpq n ASN 14 Ca -0.11 -0.81 -0.25 0.00 -0.03 0.00 0.00 54.58 53.39 2rpq n ASN 14 Cb 0.50 -4.04 -0.11 0.00 -0.61 0.00 0.00 39.78 35.53 2rpq n ASN 14 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2rpq s ASN 15 N -4.16 3.33 0.00 6.41 0.02 -1.26 -5.03 114.94 114.25 2rpq s ASN 15 Ca 0.13 -0.92 0.23 0.00 -1.02 0.00 0.00 52.86 51.28 2rpq s ASN 15 Cb -0.07 -0.25 0.02 0.00 0.02 0.00 0.00 41.25 40.98 2rpq s ASN 15 CO 0.81 0.06 1.09 0.47 0.02 0.00 0.00 177.10 179.55 2rpq n ASP 16 N -0.02 1.50 -4.86 -1.22 8.00 -1.26 -4.89 116.55 113.80 2rpq n ASP 16 Ca -0.10 -1.21 -0.31 0.00 0.71 0.00 0.00 54.79 53.88 2rpq n ASP 16 Cb 0.58 0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 42.25 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2rpq s HIS 17 N -2.69 3.45 0.14 1.24 -3.43 -1.26 -4.57 115.29 108.16 2rpq s HIS 17 Ca 0.15 1.21 0.03 0.00 -0.80 0.00 0.00 55.06 55.65 2rpq s HIS 17 Cb 0.17 -2.57 -0.04 0.00 -1.43 0.00 0.00 32.58 28.71 2rpq s HIS 17 CO 0.68 -0.16 -0.07 0.96 -2.00 0.00 0.00 174.74 174.14 2rpq s ILE 18 N -2.40 0.94 0.02 -5.38 -4.36 0.52 -4.97 121.20 105.58 2rpq s ILE 18 Ca 0.54 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.97 2rpq s ILE 18 Cb -0.10 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 2rpq s ILE 18 CO 0.29 -0.74 -0.11 0.20 0.24 0.00 0.00 174.94 174.82 2rpq s ASN 19 N -3.13 4.28 0.14 4.36 0.01 0.20 -0.34 114.94 120.46 2rpq s ASN 19 Ca 0.16 -0.27 0.06 0.00 -0.71 0.00 0.00 52.86 52.11 2rpq s ASN 19 Cb 0.04 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 2rpq s ASN 19 CO -0.01 0.27 -0.15 -1.48 -1.51 0.00 0.00 177.10 174.23 2rpq s LEU 20 N -1.46 2.44 0.12 0.60 2.34 -0.20 -1.55 118.68 120.98 2rpq s LEU 20 Ca 0.16 -0.87 0.09 0.00 0.06 0.00 0.00 54.13 53.58 2rpq s LEU 20 Cb -0.11 -0.60 -0.04 0.00 -0.56 0.00 0.00 46.19 44.88 2rpq s LEU 20 CO 0.07 -0.14 -0.22 -1.59 -1.06 0.00 0.00 176.35 173.41 2rpq s LYS 21 N -2.92 1.21 -0.19 1.48 -2.85 0.04 -0.28 119.74 116.23 2rpq s LYS 21 Ca 0.13 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 2rpq s LYS 21 Cb -0.04 -1.50 0.02 0.00 -2.06 0.00 0.00 37.83 34.25 2rpq s LYS 21 CO 0.04 0.35 -0.17 0.08 0.10 0.00 0.00 175.35 175.74 2rpq s VAL 22 N -1.24 2.24 -0.10 1.79 1.01 -0.18 -1.16 120.40 122.76 2rpq s VAL 22 Ca 0.09 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2rpq s VAL 22 Cb -0.10 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2rpq s VAL 22 CO 0.05 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.40 2rpq s ALA 23 N 1.30 2.12 0.58 5.51 0.00 0.46 -1.87 121.76 129.87 2rpq s ALA 23 Ca 0.04 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2rpq s ALA 23 Cb -0.14 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.27 2rpq s ALA 23 CO -0.11 0.29 0.81 0.20 0.00 0.00 0.00 175.76 176.94 2rpq s GLY 24 N 0.34 1.80 0.17 0.00 0.00 -0.96 -1.69 107.32 106.98 2rpq s GLY 24 Ca -0.18 -1.79 0.25 0.00 0.00 0.00 0.00 44.72 43.00 2rpq s GLY 24 CO 0.09 -1.38 1.76 0.61 0.00 0.00 0.00 173.10 174.18 2rpq n GLN 25 N -2.36 0.18 -0.30 2.90 10.64 -1.26 -3.39 117.38 123.79 2rpq n GLN 25 Ca 0.13 0.24 0.04 0.00 -1.83 0.00 0.00 57.00 55.57 2rpq n GLN 25 Cb 0.60 -1.75 0.16 0.00 -0.86 0.00 0.00 30.24 28.39 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2rpq n ASP 26 N -2.07 2.51 0.00 2.61 8.00 -1.26 -4.88 116.55 121.45 2rpq n ASP 26 Ca 0.05 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.29 2rpq n ASP 26 Cb 0.34 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.50 0.74 3.35 0.44 0.00 -1.22 -5.00 105.19 104.00 2rpq n GLY 27 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2rpq n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpq s SER 28 N -2.49 3.19 0.01 1.61 0.01 -1.26 -5.03 113.70 109.74 2rpq s SER 28 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2rpq s SER 28 Cb 0.00 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 2rpq s SER 28 CO 0.00 0.27 -0.02 0.54 0.41 0.00 0.00 173.24 174.44 2rpq s VAL 29 N -0.77 0.08 -0.07 3.43 0.11 -1.26 -2.26 120.40 119.66 2rpq s VAL 29 Ca 0.12 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2rpq s VAL 29 Cb -0.10 -0.19 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2rpq s VAL 29 CO 0.02 -0.35 -0.23 0.54 -3.33 0.00 0.00 175.10 171.75 2rpq s VAL 30 N -1.03 1.91 0.27 2.04 0.11 -0.78 -4.96 120.40 117.96 2rpq s VAL 30 Ca -0.11 -0.97 0.05 0.00 -2.93 0.00 0.00 61.98 58.02 2rpq s VAL 30 Cb -0.07 -1.63 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 2rpq s VAL 30 CO -0.01 0.53 0.40 0.00 -3.33 0.00 0.00 175.10 172.69 2rpq s GLN 31 N 0.07 3.39 -0.06 1.54 1.03 -1.26 -1.01 119.66 123.35 2rpq s GLN 31 Ca -0.09 -0.75 -0.06 0.00 0.04 0.00 0.00 55.36 54.50 2rpq s GLN 31 Cb -0.15 -2.85 0.02 0.00 0.03 0.00 0.00 33.01 30.06 2rpq s GLN 31 CO 0.05 0.34 0.18 -0.06 -2.54 0.00 0.00 175.29 173.26 2rpq s PHE 32 N -2.05 -0.19 -0.31 9.60 0.40 0.62 -4.97 117.98 121.08 2rpq s PHE 32 Ca 0.36 0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 57.04 2rpq s PHE 32 Cb -0.09 0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.47 2rpq s PHE 32 CO 0.30 -0.11 0.21 0.21 0.70 0.00 0.00 175.22 176.53 2rpq s LYS 33 N 0.02 3.72 0.04 0.44 2.20 -1.26 -1.03 119.74 123.87 2rpq s LYS 33 Ca -0.01 -0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 55.03 2rpq s LYS 33 Cb -0.02 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2rpq s LYS 33 CO 0.00 -0.31 0.17 -1.50 -0.36 0.00 0.00 175.35 173.36 2rpq s ILE 34 N 1.74 0.11 0.35 5.43 2.07 0.54 -4.98 121.20 126.45 2rpq s ILE 34 Ca 0.07 -0.94 0.07 0.00 -1.41 0.00 0.00 60.65 58.44 2rpq s ILE 34 Cb -0.17 -0.91 -0.07 0.00 0.13 0.00 0.00 42.46 41.44 2rpq s ILE 34 CO 0.11 -0.52 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.06 2rpq s LYS 35 N -2.59 1.78 0.22 3.50 3.01 -1.26 -0.36 119.74 124.04 2rpq s LYS 35 Ca -0.05 -1.96 -0.05 0.00 -1.01 0.00 0.00 55.97 52.90 2rpq s LYS 35 Cb -0.01 -1.41 0.19 0.00 -1.01 0.00 0.00 37.83 35.59 2rpq s LYS 35 CO -0.04 -0.01 1.67 -0.09 0.51 0.00 0.00 175.35 177.39 2rpq h ARG 36 N 2.01 0.88 0.00 1.68 9.65 -1.98 -3.00 114.38 123.62 2rpq h ARG 36 Ca -0.42 -0.30 -0.21 0.00 -1.10 0.00 0.00 59.98 57.96 2rpq h ARG 36 Cb 1.24 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 2rpq h ARG 36 CO 0.73 0.93 -1.32 1.25 2.80 0.00 0.00 179.97 184.37 2rpq h HIS 37 N 0.80 0.00 -1.85 2.20 2.76 -1.98 -3.12 115.15 113.96 2rpq h HIS 37 Ca 0.13 0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.70 2rpq h HIS 37 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.56 2rpq h HIS 37 CO 0.04 0.78 1.42 2.41 -1.30 0.00 0.00 177.93 181.27 2rpq n THR 38 N -3.06 0.38 -1.08 6.26 -1.04 -1.14 -4.91 114.28 109.69 2rpq n THR 38 Ca -0.09 -0.36 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 2rpq n THR 38 Cb 0.91 -2.30 0.14 0.00 -1.82 0.00 0.00 70.33 67.26 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 5.94 1.30 0.51 -2.82 0.04 -1.26 -4.38 135.00 134.33 2rpq s PRO 39 Ca 1.01 1.04 0.25 0.00 0.04 0.00 0.00 61.00 63.34 2rpq s PRO 39 Cb -0.48 -1.80 1.37 0.00 0.04 0.00 0.00 34.50 33.64 2rpq s PRO 39 CO 0.40 -2.27 2.06 1.37 0.04 0.00 0.00 177.00 178.59 2rpq h LEU 40 N -1.58 0.00 -1.99 -3.56 8.10 -1.79 -1.94 115.31 112.55 2rpq h LEU 40 Ca -0.48 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.71 2rpq h LEU 40 Cb 1.27 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.46 2rpq h LEU 40 CO 0.51 0.13 0.51 0.77 -4.11 0.00 0.00 178.44 176.26 2rpq h SER 41 N 0.00 0.00 -0.34 0.17 4.64 -1.83 -2.49 113.55 113.70 2rpq h SER 41 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2rpq h SER 41 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2rpq h SER 41 CO 0.02 0.00 -0.06 0.50 -0.87 0.00 0.00 176.83 176.41 2rpq h LYS 42 N 0.00 0.64 -0.27 4.77 1.63 -1.70 -1.11 116.57 120.53 2rpq h LYS 42 Ca 0.32 -0.24 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 2rpq h LYS 42 Cb 1.34 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2rpq h LYS 42 CO -0.00 0.80 -0.32 1.37 -3.45 0.00 0.00 179.45 177.85 2rpq h LEU 43 N 0.43 0.58 -0.62 5.20 -0.00 -1.68 -2.44 115.31 116.77 2rpq h LEU 43 Ca 0.09 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2rpq h LEU 43 Cb 0.55 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 2rpq h LEU 43 CO 0.03 0.86 0.39 -0.03 -0.00 0.00 0.00 178.44 179.69 2rpq h MET 44 N 0.48 0.83 -0.55 0.17 4.05 -1.12 0.13 114.93 118.91 2rpq h MET 44 Ca 0.06 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 2rpq h MET 44 Cb 0.79 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 2rpq h MET 44 CO 0.06 0.58 -0.07 -0.22 0.23 0.00 0.00 176.91 177.49 2rpq h LYS 45 N 0.84 1.01 -0.41 0.39 3.64 -1.21 -2.62 116.57 118.20 2rpq h LYS 45 Ca 0.22 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 2rpq h LYS 45 Cb -0.05 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2rpq h LYS 45 CO -0.04 1.03 -0.02 0.00 -2.27 0.00 0.00 179.45 178.15 2rpq h ALA 46 N 1.00 1.20 -0.65 5.00 0.00 -1.06 -1.65 119.26 123.10 2rpq h ALA 46 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2rpq h ALA 46 Cb 0.62 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2rpq h ALA 46 CO 0.04 0.52 0.40 -0.92 0.00 0.00 0.00 179.25 179.29 2rpq h TYR 47 N 0.63 0.75 -0.73 0.00 3.20 -0.67 -0.59 116.97 119.56 2rpq h TYR 47 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2rpq h TYR 47 Cb 0.42 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2rpq h TYR 47 CO 0.02 0.42 0.37 0.00 -1.64 0.00 0.00 178.16 177.33 2rpq h GLU 49 N 1.01 0.24 -0.12 0.00 5.08 -0.98 -1.89 114.58 117.92 2rpq h GLU 49 Ca 0.25 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2rpq h GLU 49 Cb 0.08 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2rpq h GLU 49 CO -0.04 0.52 -0.51 0.00 -1.00 0.00 0.00 179.01 177.99 2rpq h ARG 50 N -0.06 0.55 -0.12 2.33 3.08 -1.08 -3.38 114.38 115.70 2rpq h ARG 50 Ca 0.03 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2rpq h ARG 50 Cb 0.43 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2rpq h ARG 50 CO 0.01 1.06 0.00 1.04 -1.07 0.00 0.00 179.97 181.01 2rpq n GLN 51 N -4.22 1.36 -1.11 0.04 1.13 0.18 -5.01 117.38 109.75 2rpq n GLN 51 Ca -0.08 -1.42 0.00 0.00 -1.94 0.00 0.00 57.00 53.57 2rpq n GLN 51 Cb 0.60 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 0.43 0.61 3.92 1.08 0.00 -0.72 -4.97 105.19 105.55 2rpq n GLY 52 Ca 0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 3.67 -0.16 0.99 1.43 -1.15 -5.04 118.68 118.41 2rpq s LEU 53 Ca 0.00 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 2rpq s LEU 53 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2rpq s LEU 53 CO 0.00 -0.50 0.10 -0.44 0.23 0.00 0.00 176.35 175.74 2rpq s SER 54 N -4.13 5.96 0.48 2.29 0.01 -1.26 -4.57 113.70 112.49 2rpq s SER 54 Ca 0.46 0.23 0.24 0.00 1.31 0.00 0.00 55.95 58.19 2rpq s SER 54 Cb -0.07 -1.99 1.24 0.00 0.21 0.00 0.00 66.02 65.41 2rpq s SER 54 CO 0.29 0.25 1.99 0.00 0.41 0.00 0.00 173.24 176.18 2rpq h MET 55 N 6.15 0.00 -0.01 12.44 -0.00 -1.92 -1.81 114.93 129.78 2rpq h MET 55 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2rpq h MET 55 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2rpq h MET 55 CO 0.68 0.17 -0.06 2.89 -0.00 0.00 0.00 176.91 180.60 2rpq n ARG 56 N -3.67 1.23 0.00 -0.10 1.85 -1.26 -3.29 116.66 111.43 2rpq n ARG 56 Ca -0.01 -0.57 0.09 0.00 -1.00 0.00 0.00 57.85 56.36 2rpq n ARG 56 Cb 0.30 -1.49 -0.00 0.00 -1.05 0.00 0.00 32.46 30.22 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 -0.39 1.45 -5.03 2.89 6.02 -0.68 -4.55 117.38 117.09 2rpq n GLN 57 Ca 0.18 -0.91 -0.31 0.00 -0.01 0.00 0.00 57.00 55.95 2rpq n GLN 57 Cb 0.29 -1.38 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.19 2.28 0.01 5.09 -4.36 -1.21 -1.23 121.20 119.59 2rpq s ILE 58 Ca 0.16 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.36 2rpq s ILE 58 Cb 0.16 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 2rpq s ILE 58 CO 0.49 0.47 -0.03 -0.13 0.24 0.00 0.00 174.94 175.97 2rpq s ARG 59 N -0.98 0.28 -0.00 0.37 1.81 -0.75 -4.90 118.95 114.78 2rpq s ARG 59 Ca 0.11 -0.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 2rpq s ARG 59 Cb -0.10 -0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.22 2rpq s ARG 59 CO 0.01 0.03 0.05 -0.06 -0.68 0.00 0.00 175.30 174.65 2rpq s PHE 60 N -0.58 3.21 0.16 -0.53 0.08 -1.26 -1.34 117.98 117.72 2rpq s PHE 60 Ca -0.05 0.16 0.11 0.00 0.12 0.00 0.00 56.93 57.27 2rpq s PHE 60 Cb -0.04 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2rpq s PHE 60 CO -0.00 0.52 -0.24 1.03 -0.10 0.00 0.00 175.22 176.43 2rpq s ARG 61 N -1.67 1.43 -0.13 0.44 0.52 0.36 -1.57 118.95 118.32 2rpq s ARG 61 Ca 0.22 -1.43 -0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2rpq s ARG 61 Cb -0.12 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 33.60 2rpq s ARG 61 CO 0.13 0.40 -0.09 0.12 0.02 0.00 0.00 175.30 175.87 2rpq s PHE 62 N -1.47 1.72 -1.42 -0.53 5.36 -0.24 -1.95 117.98 119.45 2rpq s PHE 62 Ca 0.17 -0.94 -0.06 0.00 -0.96 0.00 0.00 56.93 55.15 2rpq s PHE 62 Cb -0.09 -1.35 0.04 0.00 -0.34 0.00 0.00 43.02 41.28 2rpq s PHE 62 CO 0.08 -0.58 0.77 -3.47 -1.46 0.00 0.00 175.22 170.56 2rpq n ASP 63 N 4.88 -2.46 0.00 6.13 2.03 -1.26 -1.85 116.55 124.02 2rpq n ASP 63 Ca -0.14 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2rpq n ASP 63 Cb 0.50 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.08 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 -1.67 0.75 3.32 0.27 0.00 -1.26 -5.03 105.19 101.57 2rpq n GLY 64 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.09 1.67 0.55 1.61 -2.07 -0.77 -5.11 119.66 115.46 2rpq s GLN 65 Ca 0.00 -1.07 -0.20 0.00 -1.82 0.00 0.00 55.36 52.28 2rpq s GLN 65 Cb 0.00 -1.84 -0.05 0.00 -1.09 0.00 0.00 33.01 30.03 2rpq s GLN 65 CO 0.00 0.47 1.16 -2.14 -1.32 0.00 0.00 175.29 173.47 2rpq s PRO 66 N -1.24 3.25 -0.01 9.60 0.02 -1.26 -1.08 135.00 144.29 2rpq s PRO 66 Ca 0.11 1.71 0.06 0.00 0.02 0.00 0.00 61.00 62.90 2rpq s PRO 66 Cb -0.10 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 2rpq s PRO 66 CO 0.02 -0.95 -0.20 0.96 -0.33 0.00 0.00 177.00 176.50 2rpq s ILE 67 N -1.68 2.63 0.43 2.83 -4.36 -0.61 -4.80 121.20 115.64 2rpq s ILE 67 Ca 0.74 -1.03 0.07 0.00 -0.26 0.00 0.00 60.65 60.17 2rpq s ILE 67 Cb -0.27 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 2rpq s ILE 67 CO 0.30 0.49 0.23 0.20 0.24 0.00 0.00 174.94 176.40 2rpq s ASN 68 N -0.96 4.53 0.35 4.36 0.01 -1.26 -4.45 114.94 117.51 2rpq s ASN 68 Ca 0.12 -1.07 0.27 0.00 -0.71 0.00 0.00 52.86 51.47 2rpq s ASN 68 Cb -0.10 -0.36 0.96 0.00 0.41 0.00 0.00 41.25 42.16 2rpq s ASN 68 CO 0.02 -0.63 1.78 -0.33 -1.51 0.00 0.00 177.10 176.43 2rpq h GLU 69 N 1.29 0.00 0.00 -0.60 5.08 -2.00 -0.49 114.58 117.85 2rpq h GLU 69 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2rpq h GLU 69 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2rpq h GLU 69 CO 0.67 0.00 -0.25 2.41 -1.00 0.00 0.00 179.01 180.84 2rpq n THR 70 N -2.58 0.40 -1.71 1.13 -1.04 -1.26 -4.36 114.28 104.86 2rpq n THR 70 Ca 0.03 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 2rpq n THR 70 Cb 0.33 -0.36 0.09 0.00 -1.82 0.00 0.00 70.33 68.57 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 -4.13 4.45 0.14 8.00 1.01 -0.19 -5.01 116.67 120.94 2rpq s ASP 71 Ca 0.10 1.05 -0.17 0.00 0.71 0.00 0.00 52.55 54.23 2rpq s ASP 71 Cb 0.14 -1.69 0.04 0.00 1.01 0.00 0.00 42.92 42.42 2rpq s ASP 71 CO 0.64 -1.96 0.44 0.42 0.21 0.00 0.00 175.17 174.91 2rpq s THR 72 N -3.34 0.06 0.31 -1.27 -4.23 -1.26 -3.16 115.64 102.75 2rpq s THR 72 Ca 0.61 -0.50 0.09 0.00 -1.18 0.00 0.00 61.69 60.70 2rpq s THR 72 Cb -0.13 -1.18 0.31 0.00 1.34 0.00 0.00 72.50 72.84 2rpq s THR 72 CO 0.52 -0.25 1.69 -0.65 -0.54 0.00 0.00 174.62 175.40 2rpq h PRO 73 N 2.29 0.42 -0.35 3.99 0.11 -1.77 -1.77 132.00 134.93 2rpq h PRO 73 Ca -0.34 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 2rpq h PRO 73 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2rpq h PRO 73 CO 0.45 0.28 0.08 0.00 -0.21 0.00 0.00 178.00 178.59 2rpq h ALA 74 N 1.76 0.46 -0.24 -0.75 0.00 -1.89 -0.33 119.26 118.28 2rpq h ALA 74 Ca 0.64 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 55.18 2rpq h ALA 74 Cb 1.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2rpq h ALA 74 CO -0.54 0.14 -0.56 1.96 0.00 0.00 0.00 179.25 180.24 2rpq h GLN 75 N 0.41 0.74 -0.02 0.00 4.20 -1.85 -3.11 115.11 115.50 2rpq h GLN 75 Ca 0.11 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2rpq h GLN 75 Cb 0.31 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2rpq h GLN 75 CO 0.00 1.10 -0.14 -0.11 -0.67 0.00 0.00 178.83 179.02 2rpq n LEU 76 N -3.98 1.91 -3.67 1.46 7.94 -0.68 -4.97 117.00 115.00 2rpq n LEU 76 Ca -0.04 -0.63 -0.22 0.00 -1.11 0.00 0.00 56.01 54.01 2rpq n LEU 76 Cb 0.63 -0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.60 2rpq n LEU 76 CO 0.49 0.33 0.00 -0.62 -1.11 0.00 0.00 177.39 176.49 2rpq n GLU 77 N 0.29 -5.47 -1.87 1.96 -0.58 -0.24 -4.95 120.64 109.78 2rpq n GLU 77 Ca 0.14 0.67 -0.39 0.00 -0.42 0.00 0.00 57.16 57.16 2rpq n GLU 77 Cb 0.44 -5.38 0.02 0.00 -0.57 0.00 0.00 31.44 25.95 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2rpq s MET 78 N -5.96 3.57 0.68 3.49 -1.94 -0.59 -5.03 119.30 113.52 2rpq s MET 78 Ca 0.12 2.27 0.00 0.00 -1.71 0.00 0.00 55.69 56.37 2rpq s MET 78 Cb -0.06 -2.53 0.11 0.00 2.01 0.00 0.00 34.83 34.36 2rpq s MET 78 CO 0.79 -0.86 0.94 -1.21 -0.01 0.00 0.00 175.02 174.68 2rpq s GLU 79 N -2.57 1.87 0.58 2.03 2.02 -1.26 -4.95 118.70 116.41 2rpq s GLU 79 Ca 0.64 -1.07 0.27 0.00 0.02 0.00 0.00 54.97 54.83 2rpq s GLU 79 Cb -0.41 -2.37 1.59 0.00 0.10 0.00 0.00 34.13 33.04 2rpq s GLU 79 CO 0.51 -1.28 2.08 0.38 0.02 0.00 0.00 175.26 176.97 2rpq h ASP 80 N -0.38 0.00 -2.23 -0.19 2.03 -1.94 -2.99 116.42 110.71 2rpq h ASP 80 Ca -0.37 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.35 2rpq h ASP 80 Cb 1.27 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.39 2rpq h ASP 80 CO 0.43 0.00 -1.00 -0.62 -1.03 0.00 0.00 179.24 177.01 2rpq n GLU 81 N -3.93 0.57 -1.94 4.15 1.02 -1.08 -0.63 120.64 118.80 2rpq n GLU 81 Ca 0.03 -3.31 -0.32 0.00 -0.02 0.00 0.00 57.16 53.54 2rpq n GLU 81 Cb 0.36 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 2rpq n GLU 81 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2rpq s ASP 82 N -0.63 5.92 -0.19 1.62 2.15 -0.59 -4.88 116.67 120.07 2rpq s ASP 82 Ca 0.34 1.63 0.00 0.00 0.43 0.00 0.00 52.55 54.95 2rpq s ASP 82 Cb 0.10 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.25 2rpq s ASP 82 CO -0.15 -1.07 -0.09 -0.89 -0.17 0.00 0.00 175.17 172.79 2rpq s THR 83 N -2.80 1.49 -0.01 1.71 2.01 -1.26 -0.78 115.64 115.99 2rpq s THR 83 Ca 0.59 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.79 2rpq s THR 83 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 2rpq s THR 83 CO 0.44 0.18 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.69 2rpq s ILE 84 N 1.47 1.86 0.05 1.82 -1.09 -0.31 -4.99 121.20 120.00 2rpq s ILE 84 Ca -0.00 -1.05 0.05 0.00 -2.23 0.00 0.00 60.65 57.42 2rpq s ILE 84 Cb -0.16 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 2rpq s ILE 84 CO -0.08 0.49 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.43 2rpq s ASP 85 N -0.65 4.66 -0.16 3.58 2.15 -0.82 -0.41 116.67 125.01 2rpq s ASP 85 Ca 0.09 -0.21 -0.04 0.00 0.43 0.00 0.00 52.55 52.82 2rpq s ASP 85 Cb -0.09 -1.04 -0.03 0.00 -0.30 0.00 0.00 42.92 41.46 2rpq s ASP 85 CO -0.00 0.23 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.51 2rpq s VAL 86 N -1.13 3.98 -0.04 1.11 1.01 -0.68 -0.49 120.40 124.16 2rpq s VAL 86 Ca 0.20 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2rpq s VAL 86 Cb -0.11 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2rpq s VAL 86 CO 0.12 0.48 -0.23 0.12 0.00 0.00 0.00 175.10 175.59 2rpq s PHE 87 N 0.43 2.43 0.15 5.22 5.36 -0.45 -4.74 117.98 126.39 2rpq s PHE 87 Ca -0.03 -0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 55.30 2rpq s PHE 87 Cb -0.14 -1.55 -0.08 0.00 -0.34 0.00 0.00 43.02 40.91 2rpq s PHE 87 CO 0.03 -0.03 0.66 1.14 -1.46 0.00 0.00 175.22 175.55 2rpq s GLN 88 N -0.53 4.25 0.17 10.12 -2.07 -1.26 -1.80 119.66 128.54 2rpq s GLN 88 Ca 0.07 0.83 0.02 0.00 -1.82 0.00 0.00 55.36 54.46 2rpq s GLN 88 Cb -0.11 -3.07 -0.05 0.00 -1.09 0.00 0.00 33.01 28.70 2rpq s GLN 88 CO 0.00 0.52 0.00 -1.14 -1.32 0.00 0.00 175.29 173.35 2rpq s GLN 89 N -1.56 1.11 0.15 9.60 2.00 -0.37 -4.92 119.66 125.67 2rpq s GLN 89 Ca 0.37 -1.53 0.04 0.00 -2.00 0.00 0.00 55.36 52.24 2rpq s GLN 89 Cb -0.18 -0.27 -0.04 0.00 0.80 0.00 0.00 33.01 33.32 2rpq s GLN 89 CO 0.21 -0.13 -0.09 -0.65 -0.50 0.00 0.00 175.29 174.13 2rpq s GLN 90 N -3.91 1.06 0.00 1.67 -0.21 -1.26 -4.55 119.66 112.46 2rpq s GLN 90 Ca 0.24 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2rpq s GLN 90 Cb 0.06 -0.58 0.00 0.00 1.00 0.00 0.00 33.01 33.49 2rpq s GLN 90 CO 0.04 0.05 0.00 0.25 -2.12 0.00 0.00 175.29 173.51 2rpq n THR 91 N -0.20 0.00 -1.00 -0.19 -2.24 -1.26 -4.98 114.28 104.41 2rpq n THR 91 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2rpq n THR 91 Cb 0.61 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2rpq n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rpq n GLY 92 N 0.76 0.55 0.00 3.38 0.00 -1.26 -5.23 105.19 103.38 2rpq n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93