#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 0.84 -0.68 3.04 0.00 -2.12 -3.35 119.26 116.99 2rpq h ALA 2 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2rpq h ALA 2 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2rpq h ALA 2 CO 0.00 0.56 0.37 -0.44 0.00 0.00 0.00 179.25 179.74 2rpq h ASP 3 N 0.94 0.83 -2.93 0.00 3.32 -2.15 -3.45 116.42 112.98 2rpq h ASP 3 Ca 0.20 -0.06 -0.58 0.00 0.02 0.00 0.00 57.03 56.61 2rpq h ASP 3 Cb 0.37 -0.21 0.09 0.00 0.22 0.00 0.00 39.33 39.80 2rpq h ASP 3 CO 0.00 0.67 0.55 -0.62 -1.72 0.00 0.00 179.24 178.13 2rpq n GLU 4 N -4.37 2.05 -3.34 3.56 4.71 -1.26 -5.02 120.64 116.97 2rpq n GLU 4 Ca 0.07 0.73 -0.25 0.00 -0.01 0.00 0.00 57.16 57.69 2rpq n GLU 4 Cb 0.10 -2.34 -0.02 0.00 -1.01 0.00 0.00 31.44 28.17 2rpq n GLU 4 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2rpq s LYS 5 N -1.03 3.51 0.52 3.49 -0.14 -1.26 -5.07 119.74 119.76 2rpq s LYS 5 Ca 0.63 -0.25 -0.18 0.00 -1.36 0.00 0.00 55.97 54.80 2rpq s LYS 5 Cb -0.62 -2.65 -0.13 0.00 -1.68 0.00 0.00 37.83 32.76 2rpq s LYS 5 CO 0.55 0.15 0.17 -2.30 -0.76 0.00 0.00 175.35 173.16 2rpq n PRO 6 N -1.62 0.22 0.00 -1.68 -0.02 -1.26 -4.96 135.00 125.68 2rpq n PRO 6 Ca -0.04 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2rpq n PRO 6 Cb 0.56 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2rpq n PRO 6 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2rpq n LYS 7 N 0.86 2.84 -5.03 -0.52 2.85 -1.26 -4.98 118.16 112.92 2rpq n LYS 7 Ca 0.10 -0.08 -0.32 0.00 -1.05 0.00 0.00 58.31 56.95 2rpq n LYS 7 Cb 0.46 -0.44 -0.16 0.00 -0.65 0.00 0.00 35.03 34.25 2rpq n LYS 7 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2rpq s GLU 8 N -0.43 3.02 0.00 -1.58 1.03 -1.26 -4.40 118.70 115.09 2rpq s GLU 8 Ca 0.00 -0.79 0.00 0.00 0.03 0.00 0.00 54.97 54.21 2rpq s GLU 8 Cb 0.00 -2.40 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 2rpq s GLU 8 CO 0.00 0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.62 2rpq n GLY 9 N 3.29 0.46 3.83 -3.83 0.00 -1.26 -5.04 105.19 102.64 2rpq n GLY 9 Ca -0.18 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 5.24 0.08 1.61 1.01 -1.26 -5.09 120.40 119.98 2rpq s VAL 10 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2rpq s VAL 10 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2rpq s VAL 10 CO 0.00 0.56 -0.21 -1.59 0.00 0.00 0.00 175.10 173.86 2rpq s LYS 11 N -0.80 1.20 0.00 2.72 -2.85 -1.26 -5.03 119.74 113.72 2rpq s LYS 11 Ca 0.20 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 2rpq s LYS 11 Cb -0.14 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 2rpq s LYS 11 CO 0.09 0.34 0.00 -2.37 0.10 0.00 0.00 175.35 173.50 2rpq n THR 12 N 1.35 0.00 0.00 3.79 5.66 -1.26 -4.97 114.28 118.85 2rpq n THR 12 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2rpq n THR 12 Cb 0.53 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 2rpq n THR 12 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rpq n GLU 13 N 0.00 1.33 -4.01 1.09 1.02 -1.26 -5.10 120.64 113.72 2rpq n GLU 13 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2rpq n GLU 13 Cb 0.09 -0.87 -0.09 0.00 -0.02 0.00 0.00 31.44 30.55 2rpq n GLU 13 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rpq s ASN 14 N -3.18 0.35 0.91 1.62 0.01 -1.26 -5.16 114.94 108.22 2rpq s ASN 14 Ca 0.00 -0.83 -0.16 0.00 -0.71 0.00 0.00 52.86 51.17 2rpq s ASN 14 Cb 0.00 0.23 -0.08 0.00 0.41 0.00 0.00 41.25 41.81 2rpq s ASN 14 CO 0.00 -0.60 -0.20 -0.46 -1.51 0.00 0.00 177.10 174.33 2rpq n ASN 15 N 0.25 -3.99 -2.20 -1.22 0.23 -1.26 -4.85 115.26 102.23 2rpq n ASN 15 Ca -0.16 0.32 -0.29 0.00 -0.53 0.00 0.00 54.58 53.92 2rpq n ASN 15 Cb 0.61 -0.97 0.07 0.00 -2.08 0.00 0.00 39.78 37.41 2rpq n ASN 15 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2rpq n ASP 16 N 1.42 7.30 -4.76 0.53 5.75 -1.26 -5.01 116.55 120.52 2rpq n ASP 16 Ca 0.03 -3.57 -0.40 0.00 -0.01 0.00 0.00 54.79 50.84 2rpq n ASP 16 Cb 0.54 -1.00 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2rpq s HIS 17 N -3.21 3.40 0.06 2.11 -3.43 -1.26 -0.54 115.29 112.42 2rpq s HIS 17 Ca 0.55 1.61 -0.01 0.00 -0.80 0.00 0.00 55.06 56.40 2rpq s HIS 17 Cb 0.43 -3.42 -0.04 0.00 -1.43 0.00 0.00 32.58 28.12 2rpq s HIS 17 CO -0.01 -0.98 -0.01 0.96 -2.00 0.00 0.00 174.74 172.70 2rpq s ILE 18 N -1.15 0.20 0.01 -5.38 -4.36 0.43 -4.90 121.20 106.04 2rpq s ILE 18 Ca 0.46 -1.79 0.03 0.00 -0.26 0.00 0.00 60.65 59.08 2rpq s ILE 18 Cb -0.35 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 2rpq s ILE 18 CO 0.45 -0.91 -0.03 0.20 0.24 0.00 0.00 174.94 174.89 2rpq s ASN 19 N -2.94 4.87 0.03 4.36 0.01 -0.11 -0.78 114.94 120.38 2rpq s ASN 19 Ca 0.09 -0.09 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 2rpq s ASN 19 Cb 0.08 -1.20 -0.02 0.00 0.41 0.00 0.00 41.25 40.52 2rpq s ASN 19 CO -0.08 0.28 -0.06 -1.48 -1.51 0.00 0.00 177.10 174.25 2rpq s LEU 20 N -1.53 2.20 0.13 0.60 2.34 -0.59 -1.94 118.68 119.89 2rpq s LEU 20 Ca 0.19 -0.43 0.09 0.00 0.06 0.00 0.00 54.13 54.04 2rpq s LEU 20 Cb -0.11 -0.10 -0.04 0.00 -0.56 0.00 0.00 46.19 45.38 2rpq s LEU 20 CO 0.09 -0.17 -0.19 -1.59 -1.06 0.00 0.00 176.35 173.43 2rpq s LYS 21 N -1.21 1.74 -0.17 1.48 -2.85 0.37 -1.00 119.74 118.09 2rpq s LYS 21 Ca -0.09 -1.23 -0.03 0.00 -1.00 0.00 0.00 55.97 53.62 2rpq s LYS 21 Cb -0.08 -2.07 -0.02 0.00 -2.06 0.00 0.00 37.83 33.60 2rpq s LYS 21 CO -0.00 0.47 -0.07 0.08 0.10 0.00 0.00 175.35 175.93 2rpq s VAL 22 N -1.21 3.42 -0.06 1.79 1.01 0.12 -0.84 120.40 124.64 2rpq s VAL 22 Ca 0.18 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2rpq s VAL 22 Cb -0.10 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2rpq s VAL 22 CO 0.10 0.47 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 2rpq s ALA 23 N 0.80 1.81 0.00 5.51 0.00 0.05 -1.87 121.76 128.06 2rpq s ALA 23 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2rpq s ALA 23 Cb -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2rpq s ALA 23 CO 0.01 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2rpq n GLY 24 N 3.15 -0.63 3.82 0.00 0.00 -0.80 -1.99 105.19 108.74 2rpq n GLY 24 Ca -0.18 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 2rpq n GLY 24 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rpq n GLN 25 N 0.00 -6.18 -3.13 1.61 1.13 -1.26 -0.32 117.38 109.23 2rpq n GLN 25 Ca 0.00 0.66 -0.14 0.00 -1.94 0.00 0.00 57.00 55.58 2rpq n GLN 25 Cb 0.00 -5.59 0.05 0.00 0.11 0.00 0.00 30.24 24.81 2rpq n GLN 25 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2rpq n ASP 26 N -2.89 -3.99 0.00 1.08 2.03 -1.26 -3.91 116.55 107.60 2rpq n ASP 26 Ca 0.02 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.96 2rpq n ASP 26 Cb 0.54 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.46 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 -1.37 1.01 3.67 0.27 0.00 -0.69 -5.08 105.19 103.01 2rpq n GLY 27 Ca -0.05 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.42 5.98 -0.00 1.61 0.01 0.57 -4.95 113.70 114.49 2rpq s SER 28 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2rpq s SER 28 Cb 0.00 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.18 2rpq s SER 28 CO 0.00 0.13 0.01 -0.69 0.41 0.00 0.00 173.24 173.10 2rpq s VAL 29 N 0.64 -0.00 -0.02 3.43 1.01 -1.26 -1.90 120.40 122.30 2rpq s VAL 29 Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2rpq s VAL 29 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 2rpq s VAL 29 CO 0.01 0.02 -0.14 0.54 0.00 0.00 0.00 175.10 175.54 2rpq s VAL 30 N 0.25 1.11 0.04 2.92 0.11 -0.78 -4.99 120.40 119.06 2rpq s VAL 30 Ca -0.02 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 2rpq s VAL 30 Cb -0.03 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2rpq s VAL 30 CO -0.01 0.32 -0.20 0.00 -3.33 0.00 0.00 175.10 171.88 2rpq s GLN 31 N -0.20 1.34 -0.06 1.54 1.03 -1.26 -0.70 119.66 121.35 2rpq s GLN 31 Ca 0.03 -0.93 -0.06 0.00 0.04 0.00 0.00 55.36 54.44 2rpq s GLN 31 Cb -0.07 -1.45 0.01 0.00 0.03 0.00 0.00 33.01 31.54 2rpq s GLN 31 CO -0.00 0.37 0.16 0.12 -2.54 0.00 0.00 175.29 173.40 2rpq s PHE 32 N -0.81 -0.16 -0.27 9.60 2.19 -0.17 -4.96 117.98 123.39 2rpq s PHE 32 Ca 0.07 0.39 -0.05 0.00 0.33 0.00 0.00 56.93 57.67 2rpq s PHE 32 Cb -0.09 0.05 0.01 0.00 -1.31 0.00 0.00 43.02 41.69 2rpq s PHE 32 CO 0.02 -0.10 0.02 0.21 1.83 0.00 0.00 175.22 177.20 2rpq s LYS 33 N -0.01 3.04 0.05 10.12 2.20 -1.26 -1.55 119.74 132.33 2rpq s LYS 33 Ca -0.01 -0.87 -0.20 0.00 -0.36 0.00 0.00 55.97 54.53 2rpq s LYS 33 Cb -0.02 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2rpq s LYS 33 CO 0.00 -0.40 0.47 -1.50 -0.36 0.00 0.00 175.35 173.56 2rpq s ILE 34 N 1.44 0.04 0.42 5.43 1.10 0.04 -4.96 121.20 124.72 2rpq s ILE 34 Ca 0.02 -0.35 -0.26 0.00 -0.51 0.00 0.00 60.65 59.56 2rpq s ILE 34 Cb -0.17 -0.97 -0.08 0.00 0.15 0.00 0.00 42.46 41.39 2rpq s ILE 34 CO -0.00 -0.19 1.34 -0.54 -2.11 0.00 0.00 174.94 173.43 2rpq s LYS 35 N -2.48 3.85 0.33 3.50 3.01 -1.26 -0.43 119.74 126.26 2rpq s LYS 35 Ca -0.05 2.23 0.14 0.00 -1.01 0.00 0.00 55.97 57.28 2rpq s LYS 35 Cb -0.01 -2.70 0.57 0.00 -1.01 0.00 0.00 37.83 34.68 2rpq s LYS 35 CO -0.02 -0.61 1.71 -0.09 0.51 0.00 0.00 175.35 176.84 2rpq h ARG 36 N 2.52 0.00 0.00 1.68 2.43 -1.16 -2.88 114.38 116.97 2rpq h ARG 36 Ca -0.50 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.50 2rpq h ARG 36 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2rpq h ARG 36 CO 0.62 0.47 -0.80 1.12 -1.51 0.00 0.00 179.97 179.88 2rpq h HIS 37 N 0.00 0.00 -3.95 2.20 2.07 -1.93 -1.98 115.15 111.57 2rpq h HIS 37 Ca -0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 2rpq h HIS 37 Cb 0.93 0.00 0.10 0.00 2.57 0.00 0.00 27.41 31.01 2rpq h HIS 37 CO 0.00 0.80 0.71 0.99 -3.07 0.00 0.00 177.93 177.35 2rpq s THR 38 N -3.16 2.26 0.51 6.12 2.01 -1.09 -4.84 115.64 117.46 2rpq s THR 38 Ca -0.00 0.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.03 2rpq s THR 38 Cb 0.11 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 2rpq s THR 38 CO 0.79 0.05 1.15 -0.81 -0.69 0.00 0.00 174.62 175.11 2rpq n PRO 39 N 0.27 1.44 0.26 4.92 -0.04 -1.26 -4.30 135.00 136.29 2rpq n PRO 39 Ca 0.02 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 2rpq n PRO 39 Cb 0.41 -2.30 0.73 0.00 -0.04 0.00 0.00 33.50 32.30 2rpq n PRO 39 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2rpq h LEU 40 N 1.32 0.00 -1.99 1.53 -0.00 -1.73 -3.26 115.31 111.17 2rpq h LEU 40 Ca -0.48 0.00 0.19 0.00 -0.00 0.00 0.00 57.88 57.59 2rpq h LEU 40 Cb 1.33 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.96 2rpq h LEU 40 CO 0.56 0.10 0.52 -1.28 -0.00 0.00 0.00 178.44 178.34 2rpq h SER 41 N 0.00 0.00 -0.49 0.17 0.87 -1.85 -0.64 113.55 111.62 2rpq h SER 41 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2rpq h SER 41 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2rpq h SER 41 CO 0.01 0.00 0.04 0.50 -0.53 0.00 0.00 176.83 176.85 2rpq h LYS 42 N 0.00 0.83 -0.70 2.24 1.63 -1.92 -2.54 116.57 116.12 2rpq h LYS 42 Ca 0.32 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2rpq h LYS 42 Cb 1.35 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.86 2rpq h LYS 42 CO -0.00 0.86 0.30 1.25 -3.45 0.00 0.00 179.45 178.41 2rpq h LEU 43 N 0.70 0.94 -0.49 5.20 6.46 -1.40 -1.28 115.31 125.43 2rpq h LEU 43 Ca 0.14 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2rpq h LEU 43 Cb 0.46 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 2rpq h LEU 43 CO 0.02 0.84 0.25 0.24 -0.62 0.00 0.00 178.44 179.16 2rpq h MET 44 N 0.98 0.47 -0.59 1.25 2.86 -1.17 0.27 114.93 118.99 2rpq h MET 44 Ca 0.24 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2rpq h MET 44 Cb 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2rpq h MET 44 CO -0.02 0.31 -0.02 -0.22 1.06 0.00 0.00 176.91 178.02 2rpq h LYS 45 N 0.49 1.06 -0.41 1.72 3.64 -1.42 -2.77 116.57 118.88 2rpq h LYS 45 Ca 0.22 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 2rpq h LYS 45 Cb 0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2rpq h LYS 45 CO -0.15 1.05 -0.07 0.00 -2.27 0.00 0.00 179.45 178.01 2rpq h ALA 46 N 0.98 1.11 -0.70 5.00 0.00 -0.67 -0.96 119.26 124.02 2rpq h ALA 46 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rpq h ALA 46 Cb 0.58 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2rpq h ALA 46 CO 0.03 0.56 0.39 -0.92 0.00 0.00 0.00 179.25 179.31 2rpq h TYR 47 N 0.65 0.96 -0.34 0.00 3.20 -0.43 0.17 116.97 121.19 2rpq h TYR 47 Ca 0.12 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2rpq h TYR 47 Cb 0.50 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2rpq h TYR 47 CO 0.02 0.68 0.19 0.00 -1.64 0.00 0.00 178.16 177.42 2rpq h GLU 49 N 0.43 0.01 -0.27 0.00 5.08 -1.00 -0.30 114.58 118.52 2rpq h GLU 49 Ca 0.12 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2rpq h GLU 49 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2rpq h GLU 49 CO -0.02 0.49 -0.49 0.00 -1.00 0.00 0.00 179.01 177.99 2rpq h ARG 50 N -0.46 0.75 -0.30 2.33 2.47 -0.72 -3.29 114.38 115.17 2rpq h ARG 50 Ca 0.00 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2rpq h ARG 50 Cb 0.48 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2rpq h ARG 50 CO 0.00 1.06 0.00 1.04 0.56 0.00 0.00 179.97 182.64 2rpq n GLN 51 N -4.01 2.88 -2.59 0.04 1.13 -0.50 -5.01 117.38 109.32 2rpq n GLN 51 Ca -0.03 -2.06 -0.05 0.00 -1.94 0.00 0.00 57.00 52.92 2rpq n GLN 51 Cb 0.58 -1.29 0.02 0.00 0.11 0.00 0.00 30.24 29.67 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 0.29 0.41 3.39 1.08 0.00 -0.94 -4.98 105.19 104.44 2rpq n GLY 52 Ca 0.11 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.87 2.43 -0.15 0.99 1.43 -0.17 -5.04 118.68 115.30 2rpq s LEU 53 Ca 0.08 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.24 2rpq s LEU 53 Cb -0.04 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2rpq s LEU 53 CO 0.19 0.07 0.13 -0.44 0.23 0.00 0.00 176.35 176.53 2rpq s SER 54 N -2.66 6.30 0.39 2.29 0.01 -1.26 -4.58 113.70 114.19 2rpq s SER 54 Ca 0.19 0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.88 2rpq s SER 54 Cb -0.07 -2.07 0.78 0.00 0.21 0.00 0.00 66.02 64.87 2rpq s SER 54 CO 0.09 0.32 2.03 -0.03 0.41 0.00 0.00 173.24 176.06 2rpq h MET 55 N 5.61 0.66 -0.16 12.44 4.05 -1.92 -1.81 114.93 133.79 2rpq h MET 55 Ca -0.50 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 2rpq h MET 55 Cb 1.20 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2rpq h MET 55 CO 0.65 0.43 0.00 2.89 0.23 0.00 0.00 176.91 181.11 2rpq n ARG 56 N -4.46 1.75 -0.00 0.39 1.85 -1.26 -2.98 116.66 111.94 2rpq n ARG 56 Ca 0.05 -1.12 0.09 0.00 -1.00 0.00 0.00 57.85 55.87 2rpq n ARG 56 Cb 0.09 -1.40 -0.12 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 0.35 0.83 -4.32 2.89 6.02 -0.69 -1.75 117.38 120.72 2rpq n GLN 57 Ca 0.16 -0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 2rpq n GLN 57 Cb 0.34 -1.39 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.96 1.60 0.02 5.09 -4.36 -1.16 -0.16 121.20 119.27 2rpq s ILE 58 Ca 0.01 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.23 2rpq s ILE 58 Cb 0.13 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 2rpq s ILE 58 CO 0.75 -0.63 -0.04 -0.13 0.24 0.00 0.00 174.94 175.13 2rpq s ARG 59 N -3.66 0.35 -0.02 0.37 1.81 -0.18 -4.82 118.95 112.80 2rpq s ARG 59 Ca 0.21 -0.54 -0.01 0.00 -1.72 0.00 0.00 55.73 53.68 2rpq s ARG 59 Cb 0.00 -0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.38 2rpq s ARG 59 CO 0.05 0.00 0.07 -0.06 -0.68 0.00 0.00 175.30 174.69 2rpq s PHE 60 N -1.11 3.28 -0.10 -0.53 0.40 -1.26 -1.31 117.98 117.35 2rpq s PHE 60 Ca -0.10 0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.27 2rpq s PHE 60 Cb -0.08 -1.75 0.04 0.00 0.51 0.00 0.00 43.02 41.74 2rpq s PHE 60 CO -0.00 0.55 0.42 0.50 0.70 0.00 0.00 175.22 177.39 2rpq s ARG 61 N -1.61 0.63 0.02 0.44 3.00 0.93 -4.80 118.95 117.57 2rpq s ARG 61 Ca 0.21 0.28 0.07 0.00 -1.00 0.00 0.00 55.73 55.30 2rpq s ARG 61 Cb -0.12 0.30 -0.02 0.00 0.00 0.00 0.00 34.95 35.11 2rpq s ARG 61 CO 0.12 -0.14 -0.22 -0.59 0.00 0.00 0.00 175.30 174.47 2rpq s PHE 62 N -0.50 1.98 -0.94 5.12 -0.12 -1.00 -2.22 117.98 120.29 2rpq s PHE 62 Ca -0.06 -0.38 -0.23 0.00 -0.05 0.00 0.00 56.93 56.21 2rpq s PHE 62 Cb -0.03 -1.22 -0.13 0.00 -0.63 0.00 0.00 43.02 41.00 2rpq s PHE 62 CO 0.03 0.04 1.92 -3.47 -0.05 0.00 0.00 175.22 173.69 2rpq n ASP 63 N 2.14 2.73 0.00 1.98 2.03 -1.26 -0.88 116.55 123.29 2rpq n ASP 63 Ca -0.16 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.46 2rpq n ASP 63 Cb 0.53 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 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 5.13 0.66 3.34 0.27 0.00 -1.26 -5.01 105.19 108.32 2rpq n GLY 64 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.25 1.29 0.21 1.61 -0.21 -0.06 -5.12 119.66 117.13 2rpq s GLN 65 Ca 0.00 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 2rpq s GLN 65 Cb 0.00 -1.48 -0.08 0.00 1.00 0.00 0.00 33.01 32.44 2rpq s GLN 65 CO 0.00 0.32 1.21 -1.25 -2.12 0.00 0.00 175.29 173.45 2rpq s PRO 66 N -2.48 4.49 -0.13 2.91 0.04 -1.26 -2.37 135.00 136.20 2rpq s PRO 66 Ca 0.14 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2rpq s PRO 66 Cb -0.08 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 2rpq s PRO 66 CO 0.06 -0.08 -0.18 0.96 0.04 0.00 0.00 177.00 177.80 2rpq s ILE 67 N -0.26 2.46 0.25 0.56 -4.36 -1.26 -4.93 121.20 113.66 2rpq s ILE 67 Ca 0.52 -0.86 0.09 0.00 -0.26 0.00 0.00 60.65 60.15 2rpq s ILE 67 Cb -0.34 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 2rpq s ILE 67 CO 0.39 0.53 -0.01 0.20 0.24 0.00 0.00 174.94 176.29 2rpq s ASN 68 N 0.62 4.55 0.59 4.36 0.01 -1.26 -4.94 114.94 118.87 2rpq s ASN 68 Ca -0.10 -0.60 0.30 0.00 -0.71 0.00 0.00 52.86 51.74 2rpq s ASN 68 Cb -0.16 -0.86 1.82 0.00 0.41 0.00 0.00 41.25 42.46 2rpq s ASN 68 CO 0.03 0.02 2.26 -0.33 -1.51 0.00 0.00 177.10 177.57 2rpq h GLU 69 N 2.09 0.00 -0.01 -0.60 5.08 -2.00 -0.45 114.58 118.68 2rpq h GLU 69 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2rpq h GLU 69 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2rpq h GLU 69 CO 0.59 0.00 -0.14 2.41 -1.00 0.00 0.00 179.01 180.87 2rpq n THR 70 N -3.86 0.00 -1.40 1.13 -1.04 -1.26 -3.83 114.28 104.02 2rpq n THR 70 Ca -0.03 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 2rpq n THR 70 Cb 0.08 0.66 0.17 0.00 -1.82 0.00 0.00 70.33 69.42 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 -2.23 2.81 0.04 8.00 1.01 -0.18 -4.92 116.67 121.20 2rpq s ASP 71 Ca 0.30 0.91 -0.09 0.00 0.71 0.00 0.00 52.55 54.38 2rpq s ASP 71 Cb 0.20 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.72 2rpq s ASP 71 CO 0.42 -2.98 0.18 0.42 0.21 0.00 0.00 175.17 173.42 2rpq s THR 72 N -3.20 0.11 0.48 -1.27 -4.23 -1.26 -2.88 115.64 103.39 2rpq s THR 72 Ca 0.66 -0.89 0.16 0.00 -1.18 0.00 0.00 61.69 60.43 2rpq s THR 72 Cb -0.14 -0.87 0.31 0.00 1.34 0.00 0.00 72.50 73.13 2rpq s THR 72 CO 0.55 -0.49 2.06 -0.65 -0.54 0.00 0.00 174.62 175.55 2rpq h PRO 73 N 3.53 0.20 -0.37 3.99 0.11 -1.74 -1.36 132.00 136.37 2rpq h PRO 73 Ca -0.32 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 2rpq h PRO 73 Cb 1.19 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2rpq h PRO 73 CO 0.48 0.13 0.11 0.00 -0.21 0.00 0.00 178.00 178.51 2rpq h ALA 74 N 1.83 0.48 -0.09 -0.75 0.00 -1.66 0.11 119.26 119.18 2rpq h ALA 74 Ca 0.14 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2rpq h ALA 74 Cb 0.30 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2rpq h ALA 74 CO -0.02 0.13 -0.78 1.96 0.00 0.00 0.00 179.25 180.53 2rpq h GLN 75 N 0.44 0.68 -0.00 0.00 1.08 -1.82 -3.16 115.11 112.34 2rpq h GLN 75 Ca 0.12 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2rpq h GLN 75 Cb 0.27 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2rpq h GLN 75 CO -0.00 1.23 -0.03 -0.11 -0.95 0.00 0.00 178.83 178.96 2rpq n LEU 76 N -4.00 0.05 -2.90 1.46 -0.00 -0.53 -4.94 117.00 106.14 2rpq n LEU 76 Ca -0.09 0.39 -0.14 0.00 -0.00 0.00 0.00 56.01 56.16 2rpq n LEU 76 Cb 0.75 -0.41 0.07 0.00 -0.00 0.00 0.00 43.42 43.83 2rpq n LEU 76 CO 0.52 0.01 0.11 -0.62 -0.00 0.00 0.00 177.39 177.41 2rpq n GLU 77 N -1.41 -5.36 -2.57 1.96 -0.58 -0.38 -5.04 120.64 107.26 2rpq n GLU 77 Ca 0.09 0.66 -0.32 0.00 -0.42 0.00 0.00 57.16 57.18 2rpq n GLU 77 Cb 0.31 -5.13 -0.04 0.00 -0.57 0.00 0.00 31.44 26.02 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 -5.24 3.91 0.43 3.49 -1.94 0.24 -5.03 119.30 115.16 2rpq s MET 78 Ca 0.08 0.80 0.02 0.00 -1.71 0.00 0.00 55.69 54.89 2rpq s MET 78 Cb -0.04 -2.22 -0.01 0.00 2.01 0.00 0.00 34.83 34.57 2rpq s MET 78 CO 0.57 -0.18 0.08 0.39 -0.01 0.00 0.00 175.02 175.87 2rpq n GLU 79 N -1.42 0.71 0.10 2.03 1.02 -1.26 -4.78 120.64 117.03 2rpq n GLU 79 Ca 0.05 -3.35 0.20 0.00 -0.02 0.00 0.00 57.16 54.04 2rpq n GLU 79 Cb 0.54 1.40 0.76 0.00 -0.02 0.00 0.00 31.44 34.11 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 1.36 0.00 -2.94 1.62 2.03 -1.93 -2.87 116.42 113.69 2rpq h ASP 80 Ca -0.34 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.36 2rpq h ASP 80 Cb 1.17 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.27 2rpq h ASP 80 CO 0.56 0.00 -0.81 -1.61 -1.03 0.00 0.00 179.24 176.35 2rpq s GLU 81 N -4.70 0.87 0.61 4.15 2.02 -1.17 -0.93 118.70 119.55 2rpq s GLU 81 Ca -0.04 -1.64 -0.01 0.00 0.02 0.00 0.00 54.97 53.29 2rpq s GLU 81 Cb 0.16 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.71 2rpq s GLU 81 CO 0.58 -1.20 0.87 0.34 0.02 0.00 0.00 175.26 175.87 2rpq s ASP 82 N 0.73 5.06 -0.07 -0.19 -1.08 -0.82 -4.92 116.67 115.39 2rpq s ASP 82 Ca 0.18 0.11 -0.01 0.00 -0.52 0.00 0.00 52.55 52.31 2rpq s ASP 82 Cb -0.22 -0.88 0.03 0.00 -1.46 0.00 0.00 42.92 40.38 2rpq s ASP 82 CO -0.00 -1.34 0.00 -0.89 0.52 0.00 0.00 175.17 173.46 2rpq s THR 83 N -2.94 0.34 -0.06 1.71 2.01 -1.26 -0.48 115.64 114.97 2rpq s THR 83 Ca 0.59 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.73 2rpq s THR 83 Cb -0.10 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2rpq s THR 83 CO 0.41 0.25 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.89 2rpq s ILE 84 N 1.89 3.75 0.04 1.82 1.01 -0.02 -4.81 121.20 124.88 2rpq s ILE 84 Ca 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2rpq s ILE 84 Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2rpq s ILE 84 CO -0.05 0.56 -0.06 -1.81 0.00 0.00 0.00 174.94 173.59 2rpq s ASP 85 N -0.93 4.67 -0.02 3.58 1.01 -0.94 -0.77 116.67 123.26 2rpq s ASP 85 Ca 0.13 -0.19 0.07 0.00 0.71 0.00 0.00 52.55 53.27 2rpq s ASP 85 Cb -0.11 -1.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.74 2rpq s ASP 85 CO 0.03 0.24 -0.24 -0.69 0.21 0.00 0.00 175.17 174.71 2rpq s VAL 86 N -1.10 1.93 0.02 -1.27 1.01 -0.84 -0.05 120.40 120.10 2rpq s VAL 86 Ca 0.20 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2rpq s VAL 86 Cb -0.11 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2rpq s VAL 86 CO 0.11 0.55 -0.15 0.12 0.00 0.00 0.00 175.10 175.72 2rpq s PHE 87 N -0.54 1.36 -0.07 5.22 5.36 -0.43 -4.50 117.98 124.39 2rpq s PHE 87 Ca 0.09 -0.31 -0.23 0.00 -0.96 0.00 0.00 56.93 55.51 2rpq s PHE 87 Cb -0.10 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.71 2rpq s PHE 87 CO -0.01 0.02 0.68 1.14 -1.46 0.00 0.00 175.22 175.59 2rpq s GLN 88 N -0.82 4.43 -0.07 10.12 -2.07 -1.26 -1.01 119.66 128.97 2rpq s GLN 88 Ca 0.04 0.84 0.19 0.00 -1.82 0.00 0.00 55.36 54.61 2rpq s GLN 88 Cb -0.07 -3.44 -0.28 0.00 -1.09 0.00 0.00 33.01 28.13 2rpq s GLN 88 CO 0.01 0.09 0.33 1.04 -1.32 0.00 0.00 175.29 175.44 2rpq n GLN 89 N 3.71 0.71 -4.02 9.60 1.13 0.78 -4.96 117.38 124.32 2rpq n GLN 89 Ca -0.02 -0.13 -0.32 0.00 -1.94 0.00 0.00 57.00 54.58 2rpq n GLN 89 Cb 0.51 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.40 2rpq n GLN 89 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rpq n GLN 90 N -2.31 -4.68 -0.01 -1.09 10.64 -0.51 -4.92 117.38 114.49 2rpq n GLN 90 Ca -0.11 0.52 -0.18 0.00 -1.83 0.00 0.00 57.00 55.40 2rpq n GLN 90 Cb 0.67 -5.34 -0.14 0.00 -0.86 0.00 0.00 30.24 24.57 2rpq n GLN 90 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 2rpq h THR 91 N -1.88 1.53 -4.17 -0.39 1.35 -1.82 -3.47 112.91 104.06 2rpq h THR 91 Ca -0.58 -2.42 -0.31 0.00 -0.55 0.00 0.00 66.41 62.54 2rpq h THR 91 Cb 1.38 3.16 0.09 0.00 -1.73 0.00 0.00 68.15 71.04 2rpq h THR 91 CO 0.71 0.64 0.18 0.61 -0.25 0.00 0.00 175.52 177.41 2rpq n GLY 92 N 1.64 -0.24 0.00 5.82 0.00 -0.72 -5.04 105.19 106.65 2rpq n GLY 92 Ca -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93