#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 0.26 -5.85 3.04 0.00 -2.11 -3.50 119.26 111.09 2rpq h ALA 2 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 54.91 54.27 2rpq h ALA 2 Cb 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 17.79 17.85 2rpq h ALA 2 CO 0.00 0.04 -0.72 -0.25 0.00 0.00 0.00 179.25 178.32 2rpq n ASP 3 N -4.63 -4.64 -1.06 0.00 8.00 -1.26 -4.92 116.55 108.04 2rpq n ASP 3 Ca -0.05 -0.60 0.11 0.00 0.71 0.00 0.00 54.79 54.96 2rpq n ASP 3 Cb 0.28 -4.89 0.25 0.00 -0.02 0.00 0.00 41.12 36.74 2rpq n ASP 3 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2rpq n GLU 4 N -4.68 2.38 -1.73 -1.24 1.02 -1.26 -4.97 120.64 110.16 2rpq n GLU 4 Ca -0.09 -2.08 -0.35 0.00 -0.02 0.00 0.00 57.16 54.61 2rpq n GLU 4 Cb 0.60 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2rpq n GLU 4 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2rpq s LYS 5 N -1.51 2.60 0.42 3.49 -0.14 -1.26 -4.99 119.74 118.35 2rpq s LYS 5 Ca 0.38 1.74 -0.21 0.00 -1.36 0.00 0.00 55.97 56.52 2rpq s LYS 5 Cb 0.22 -1.89 -0.15 0.00 -1.68 0.00 0.00 37.83 34.33 2rpq s LYS 5 CO 0.30 -1.48 0.17 -2.30 -0.76 0.00 0.00 175.35 171.29 2rpq n PRO 6 N -2.18 0.12 -4.78 -1.68 -0.02 -1.26 -5.01 135.00 120.19 2rpq n PRO 6 Ca 0.13 0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 61.33 2rpq n PRO 6 Cb 0.50 -1.12 -0.17 0.00 -0.02 0.00 0.00 33.50 32.69 2rpq n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2rpq s LYS 7 N -1.16 2.99 0.00 -0.52 1.02 -1.26 -4.99 119.74 115.82 2rpq s LYS 7 Ca 0.60 -0.85 0.24 0.00 0.02 0.00 0.00 55.97 55.98 2rpq s LYS 7 Cb -0.61 -2.39 0.18 0.00 -0.52 0.00 0.00 37.83 34.50 2rpq s LYS 7 CO 0.62 0.02 1.24 -0.85 -0.92 0.00 0.00 175.35 175.47 2rpq n GLU 8 N 3.96 2.10 -0.60 1.68 0.00 -1.26 -4.97 120.64 121.55 2rpq n GLU 8 Ca -0.20 -1.72 0.00 0.00 0.00 0.00 0.00 57.16 55.24 2rpq n GLU 8 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.49 2rpq n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rpq n GLY 9 N 1.36 1.29 3.64 -1.84 0.00 -1.26 -5.06 105.19 103.33 2rpq n GLY 9 Ca 0.13 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.13 4.32 0.00 1.61 1.01 -1.26 -4.84 120.40 119.12 2rpq s VAL 10 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2rpq s VAL 10 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2rpq s VAL 10 CO 0.00 -0.38 0.00 2.29 0.00 0.00 0.00 175.10 177.01 2rpq n LYS 11 N 6.95 6.80 -3.58 2.72 2.85 -1.26 -5.05 118.16 127.58 2rpq n LYS 11 Ca 0.13 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.12 2rpq n LYS 11 Cb 0.46 -0.49 0.05 0.00 -0.65 0.00 0.00 35.03 34.41 2rpq n LYS 11 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2rpq n THR 12 N -0.97 -6.65 -3.33 0.58 -1.04 -1.26 -4.93 114.28 96.68 2rpq n THR 12 Ca 0.00 -1.05 -0.44 0.00 -2.04 0.00 0.00 64.05 60.52 2rpq n THR 12 Cb 0.00 -4.86 -0.08 0.00 -1.82 0.00 0.00 70.33 63.58 2rpq n THR 12 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2rpq s GLU 13 N -5.60 3.02 0.03 -2.82 2.12 -1.26 -4.91 118.70 109.27 2rpq s GLU 13 Ca 0.47 -1.16 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2rpq s GLU 13 Cb -0.14 -4.10 -0.26 0.00 0.26 0.00 0.00 34.13 29.89 2rpq s GLU 13 CO 0.83 -1.04 0.95 -0.91 -0.54 0.00 0.00 175.26 174.55 2rpq h ASN 14 N 8.80 0.25 -4.11 -1.70 4.21 -2.04 -3.48 115.58 117.51 2rpq h ASN 14 Ca -0.28 -0.33 -0.54 0.00 1.21 0.00 0.00 56.30 56.36 2rpq h ASN 14 Cb 1.11 -0.08 0.13 0.00 -1.12 0.00 0.00 38.32 38.36 2rpq h ASN 14 CO 0.88 1.27 0.49 0.54 -1.29 0.00 0.00 177.43 179.32 2rpq s ASN 15 N -6.80 4.88 -0.53 5.81 4.22 -1.26 -4.07 114.94 117.19 2rpq s ASN 15 Ca -0.06 2.49 0.00 0.00 -2.14 0.00 0.00 52.86 53.15 2rpq s ASN 15 Cb 0.08 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 40.00 2rpq s ASN 15 CO 0.84 -1.81 0.00 0.47 -2.04 0.00 0.00 177.10 174.56 2rpq n ASP 16 N -1.79 -2.88 -4.83 3.54 8.00 -1.26 -4.96 116.55 112.37 2rpq n ASP 16 Ca 0.15 0.05 -0.37 0.00 0.71 0.00 0.00 54.79 55.33 2rpq n ASP 16 Cb 0.49 -1.68 -0.07 0.00 -0.02 0.00 0.00 41.12 39.84 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2rpq s HIS 17 N -2.25 3.55 0.07 1.24 3.76 -1.26 -2.45 115.29 117.95 2rpq s HIS 17 Ca 0.00 0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 55.43 2rpq s HIS 17 Cb 0.00 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 2rpq s HIS 17 CO 0.00 0.58 -0.02 0.96 -0.85 0.00 0.00 174.74 175.40 2rpq s ILE 18 N -0.56 0.27 0.04 0.60 -4.36 -0.10 -4.90 121.20 112.19 2rpq s ILE 18 Ca 0.14 -1.84 0.08 0.00 -0.26 0.00 0.00 60.65 58.77 2rpq s ILE 18 Cb -0.12 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 2rpq s ILE 18 CO 0.03 -0.91 -0.21 0.20 0.24 0.00 0.00 174.94 174.29 2rpq s ASN 19 N -2.96 3.55 0.12 4.36 0.01 0.05 -0.60 114.94 119.47 2rpq s ASN 19 Ca 0.10 -0.49 0.05 0.00 -0.71 0.00 0.00 52.86 51.81 2rpq s ASN 19 Cb 0.08 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 2rpq s ASN 19 CO -0.08 0.26 -0.12 -1.48 -1.51 0.00 0.00 177.10 174.17 2rpq s LEU 20 N -1.35 2.43 0.12 0.60 2.34 -0.44 -1.18 118.68 121.21 2rpq s LEU 20 Ca 0.13 -0.86 0.09 0.00 0.06 0.00 0.00 54.13 53.55 2rpq s LEU 20 Cb -0.10 -0.45 -0.04 0.00 -0.56 0.00 0.00 46.19 45.04 2rpq s LEU 20 CO 0.04 -0.21 -0.16 -1.59 -1.06 0.00 0.00 176.35 173.36 2rpq s LYS 21 N -2.94 1.85 -0.16 1.48 -2.85 -0.09 -0.42 119.74 116.60 2rpq s LYS 21 Ca 0.10 -1.18 -0.03 0.00 -1.00 0.00 0.00 55.97 53.86 2rpq s LYS 21 Cb -0.03 -2.14 -0.02 0.00 -2.06 0.00 0.00 37.83 33.59 2rpq s LYS 21 CO 0.02 0.48 -0.07 0.14 0.10 0.00 0.00 175.35 176.02 2rpq s VAL 22 N -1.23 3.51 -0.06 1.79 -7.23 -0.22 -0.37 120.40 116.59 2rpq s VAL 22 Ca 0.19 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 2rpq s VAL 22 Cb -0.10 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2rpq s VAL 22 CO 0.11 0.49 -0.10 0.00 -0.31 0.00 0.00 175.10 175.29 2rpq s ALA 23 N 0.62 1.09 0.00 1.32 0.00 0.04 -2.12 121.76 122.72 2rpq s ALA 23 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2rpq s ALA 23 Cb -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2rpq s ALA 23 CO 0.03 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2rpq n GLY 24 N 3.85 1.20 3.60 0.00 0.00 -0.80 -1.81 105.19 111.23 2rpq n GLY 24 Ca -0.23 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.49 -3.59 1.61 6.02 -1.26 -0.74 117.38 115.93 2rpq n GLN 25 Ca 0.00 0.64 -0.24 0.00 -0.01 0.00 0.00 57.00 57.39 2rpq n GLN 25 Cb 0.00 -5.06 0.08 0.00 1.02 0.00 0.00 30.24 26.28 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2rpq n ASP 26 N -2.99 -6.20 0.00 1.08 8.00 -1.26 -2.64 116.55 112.53 2rpq n ASP 26 Ca -0.20 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.75 2rpq n ASP 26 Cb 0.64 -5.04 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 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 -1.98 0.72 3.73 0.44 0.00 -0.94 -5.05 105.19 102.12 2rpq n GLY 27 Ca -0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.07 6.93 -0.00 1.61 0.01 0.08 -4.92 113.70 115.33 2rpq s SER 28 Ca 0.00 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2rpq s SER 28 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2rpq s SER 28 CO 0.00 -0.52 -0.00 0.54 0.41 0.00 0.00 173.24 173.67 2rpq s VAL 29 N 0.30 0.01 -0.02 3.43 0.11 -1.26 -1.91 120.40 121.06 2rpq s VAL 29 Ca 0.57 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.66 2rpq s VAL 29 Cb -0.35 -0.02 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2rpq s VAL 29 CO 0.36 0.00 -0.14 0.54 -3.33 0.00 0.00 175.10 172.54 2rpq s VAL 30 N 0.01 1.10 -0.02 2.04 0.11 -0.90 -5.00 120.40 117.74 2rpq s VAL 30 Ca -0.00 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 2rpq s VAL 30 Cb -0.00 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2rpq s VAL 30 CO -0.00 0.32 -0.25 0.00 -3.33 0.00 0.00 175.10 171.84 2rpq s GLN 31 N -0.21 2.04 -0.01 1.54 1.03 -1.26 -1.05 119.66 121.73 2rpq s GLN 31 Ca 0.03 -0.88 -0.06 0.00 0.04 0.00 0.00 55.36 54.49 2rpq s GLN 31 Cb -0.07 -1.94 0.00 0.00 0.03 0.00 0.00 33.01 31.03 2rpq s GLN 31 CO -0.00 0.51 0.12 -0.59 -2.54 0.00 0.00 175.29 172.80 2rpq s PHE 32 N -0.53 -0.00 -0.26 9.60 -0.12 0.44 -4.96 117.98 122.14 2rpq s PHE 32 Ca 0.08 -0.01 -0.03 0.00 -0.05 0.00 0.00 56.93 56.92 2rpq s PHE 32 Cb -0.10 -0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.28 2rpq s PHE 32 CO -0.01 -0.21 -0.02 0.21 -0.05 0.00 0.00 175.22 175.14 2rpq s LYS 33 N -0.94 2.99 0.04 1.99 2.20 -1.26 -1.32 119.74 123.44 2rpq s LYS 33 Ca -0.10 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.45 2rpq s LYS 33 Cb -0.06 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 2rpq s LYS 33 CO 0.01 -0.38 0.37 -1.50 -0.36 0.00 0.00 175.35 173.49 2rpq s ILE 34 N 1.40 0.07 0.35 5.43 -1.16 0.23 -4.97 121.20 122.53 2rpq s ILE 34 Ca 0.02 -0.54 0.08 0.00 -0.51 0.00 0.00 60.65 59.69 2rpq s ILE 34 Cb -0.16 -0.94 -0.03 0.00 0.61 0.00 0.00 42.46 41.94 2rpq s ILE 34 CO -0.02 -0.30 0.29 -0.54 -2.81 0.00 0.00 174.94 171.56 2rpq s LYS 35 N -2.48 2.68 0.26 3.50 3.01 -1.26 -0.93 119.74 124.52 2rpq s LYS 35 Ca -0.05 -1.34 -0.03 0.00 -1.01 0.00 0.00 55.97 53.53 2rpq s LYS 35 Cb -0.01 -2.44 0.33 0.00 -1.01 0.00 0.00 37.83 34.70 2rpq s LYS 35 CO -0.03 0.06 1.83 -0.09 0.51 0.00 0.00 175.35 177.64 2rpq h ARG 36 N 1.24 0.99 -0.64 1.68 9.65 -1.85 -2.61 114.38 122.83 2rpq h ARG 36 Ca -0.44 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2rpq h ARG 36 Cb 1.26 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 2rpq h ARG 36 CO 0.59 0.82 0.00 -2.39 2.80 0.00 0.00 179.97 181.78 2rpq n HIS 37 N -4.30 1.43 -2.96 2.20 1.44 -1.26 -3.86 115.22 107.92 2rpq n HIS 37 Ca 0.06 -0.55 -0.40 0.00 -2.01 0.00 0.00 57.72 54.82 2rpq n HIS 37 Cb 0.18 -0.27 -0.05 0.00 0.12 0.00 0.00 29.99 29.97 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2rpq s THR 38 N -1.96 4.61 0.62 0.61 2.01 -0.99 -5.05 115.64 115.51 2rpq s THR 38 Ca 0.46 1.69 -0.17 0.00 0.31 0.00 0.00 61.69 63.98 2rpq s THR 38 Cb 0.31 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2rpq s THR 38 CO 0.20 0.40 1.14 -2.16 -0.69 0.00 0.00 174.62 173.51 2rpq s PRO 39 N -0.33 2.91 0.55 4.92 0.04 -1.26 -4.21 135.00 137.63 2rpq s PRO 39 Ca 0.39 1.57 0.27 0.00 0.04 0.00 0.00 61.00 63.27 2rpq s PRO 39 Cb -0.21 -1.95 1.61 0.00 0.04 0.00 0.00 34.50 33.99 2rpq s PRO 39 CO 0.24 -1.19 2.17 1.37 0.04 0.00 0.00 177.00 179.63 2rpq h LEU 40 N 0.48 0.00 -1.99 -3.56 8.10 -1.31 -1.56 115.31 115.46 2rpq h LEU 40 Ca -0.48 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.70 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 0.55 0.05 0.51 0.77 -4.11 0.00 0.00 178.44 176.21 2rpq h SER 41 N 0.00 0.00 -0.04 0.17 4.64 -1.58 -2.27 113.55 114.48 2rpq h SER 41 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2rpq h SER 41 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2rpq h SER 41 CO 0.01 0.00 -0.37 0.50 -0.87 0.00 0.00 176.83 176.10 2rpq h LYS 42 N 0.00 0.31 -0.05 4.77 3.64 -1.58 -2.01 116.57 121.65 2rpq h LYS 42 Ca 0.31 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2rpq h LYS 42 Cb 1.33 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2rpq h LYS 42 CO -0.00 0.96 -0.43 1.37 -2.27 0.00 0.00 179.45 179.08 2rpq h LEU 43 N -0.23 0.12 -0.78 5.20 -0.00 -1.73 -2.68 115.31 115.21 2rpq h LEU 43 Ca -0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 2rpq h LEU 43 Cb 1.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.65 2rpq h LEU 43 CO 0.07 0.53 0.46 -0.03 -0.00 0.00 0.00 178.44 179.48 2rpq h MET 44 N 0.09 1.07 -0.73 0.17 4.05 -1.25 0.82 114.93 119.16 2rpq h MET 44 Ca 0.01 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 2rpq h MET 44 Cb 0.79 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 2rpq h MET 44 CO 0.06 0.76 0.35 -0.22 0.23 0.00 0.00 176.91 178.10 2rpq h LYS 45 N 1.07 1.05 -0.62 0.39 3.11 -1.31 -2.56 116.57 117.70 2rpq h LYS 45 Ca 0.28 -0.15 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 2rpq h LYS 45 Cb -0.02 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 30.99 2rpq h LYS 45 CO -0.05 0.82 0.31 0.00 -2.81 0.00 0.00 179.45 177.72 2rpq h ALA 46 N 1.17 1.39 -0.64 5.00 0.00 -1.07 -2.29 119.26 122.81 2rpq h ALA 46 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2rpq h ALA 46 Cb 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2rpq h ALA 46 CO -0.03 0.49 0.40 -0.92 0.00 0.00 0.00 179.25 179.19 2rpq h TYR 47 N 0.87 0.75 -0.66 0.00 3.20 -0.58 -0.85 116.97 119.71 2rpq h TYR 47 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2rpq h TYR 47 Cb 0.06 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 2rpq h TYR 47 CO 0.01 0.44 0.32 0.00 -1.64 0.00 0.00 178.16 177.29 2rpq h GLU 49 N 0.91 -0.13 -0.31 0.00 5.08 -1.21 -1.88 114.58 117.04 2rpq h GLU 49 Ca 0.23 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 2rpq h GLU 49 Cb 0.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2rpq h GLU 49 CO -0.03 0.22 -0.45 0.00 -1.00 0.00 0.00 179.01 177.75 2rpq h ARG 50 N -0.49 0.85 -0.33 2.33 -0.00 -1.10 -3.32 114.38 112.32 2rpq h ARG 50 Ca -0.01 -0.50 0.00 0.00 -0.50 0.00 0.00 59.98 58.96 2rpq h ARG 50 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.42 2rpq h ARG 50 CO 0.02 1.14 0.00 1.04 0.00 0.00 0.00 179.97 182.17 2rpq n GLN 51 N -4.08 2.84 -2.61 0.04 1.13 -0.14 -5.00 117.38 109.55 2rpq n GLN 51 Ca -0.04 -2.01 -0.06 0.00 -1.94 0.00 0.00 57.00 52.95 2rpq n GLN 51 Cb 0.58 -1.26 0.02 0.00 0.11 0.00 0.00 30.24 29.69 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 0.47 0.41 3.55 1.08 0.00 -0.96 -4.99 105.19 104.75 2rpq n GLY 52 Ca 0.11 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.92 2.86 -0.15 0.99 1.43 -0.75 -5.06 118.68 115.09 2rpq s LEU 53 Ca 0.09 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 2rpq s LEU 53 Cb -0.04 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2rpq s LEU 53 CO 0.20 0.00 0.09 -0.44 0.23 0.00 0.00 176.35 176.43 2rpq s SER 54 N -3.59 5.93 0.29 2.29 0.01 -1.26 -4.68 113.70 112.68 2rpq s SER 54 Ca 0.31 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.79 2rpq s SER 54 Cb -0.05 -1.95 0.42 0.00 0.21 0.00 0.00 66.02 64.64 2rpq s SER 54 CO 0.17 0.28 1.91 -0.03 0.41 0.00 0.00 173.24 175.98 2rpq h MET 55 N 5.94 1.01 -0.10 12.44 4.05 -1.96 -1.66 114.93 134.65 2rpq h MET 55 Ca -0.45 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 2rpq h MET 55 Cb 1.19 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 2rpq h MET 55 CO 0.66 0.74 0.00 2.89 0.23 0.00 0.00 176.91 181.43 2rpq n ARG 56 N -4.36 2.10 0.00 0.39 1.85 -1.26 -3.74 116.66 111.63 2rpq n ARG 56 Ca 0.07 -1.61 0.10 0.00 -1.00 0.00 0.00 57.85 55.41 2rpq n ARG 56 Cb 0.10 -1.47 0.01 0.00 -1.05 0.00 0.00 32.46 30.05 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 0.91 1.49 -4.61 2.89 6.02 -0.64 -4.12 117.38 119.32 2rpq n GLN 57 Ca 0.17 -1.07 -0.27 0.00 -0.01 0.00 0.00 57.00 55.82 2rpq n GLN 57 Cb 0.50 -1.40 -0.14 0.00 1.02 0.00 0.00 30.24 30.22 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 -2.18 1.83 0.03 5.09 -4.36 -1.14 -1.50 121.20 118.96 2rpq s ILE 58 Ca 0.18 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 2rpq s ILE 58 Cb 0.16 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 42.26 2rpq s ILE 58 CO 0.47 0.18 -0.05 -0.13 0.24 0.00 0.00 174.94 175.66 2rpq s ARG 59 N -1.40 0.38 0.03 0.37 1.81 -0.12 -4.87 118.95 115.15 2rpq s ARG 59 Ca 0.09 -0.60 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 2rpq s ARG 59 Cb -0.09 -0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.29 2rpq s ARG 59 CO 0.03 0.00 0.12 -0.06 -0.68 0.00 0.00 175.30 174.70 2rpq s PHE 60 N -1.26 3.34 0.17 -0.53 0.08 -1.26 -0.89 117.98 117.63 2rpq s PHE 60 Ca -0.12 0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.18 2rpq s PHE 60 Cb -0.09 -1.72 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 2rpq s PHE 60 CO -0.00 0.56 -0.08 1.03 -0.10 0.00 0.00 175.22 176.63 2rpq s ARG 61 N -2.07 1.14 -0.04 0.44 0.52 0.72 -3.62 118.95 116.03 2rpq s ARG 61 Ca 0.27 -1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 2rpq s ARG 61 Cb -0.12 -0.65 0.03 0.00 0.52 0.00 0.00 34.95 34.72 2rpq s ARG 61 CO 0.19 0.05 0.03 0.12 0.02 0.00 0.00 175.30 175.71 2rpq s PHE 62 N -3.33 0.24 -1.60 -0.53 5.36 0.16 -2.08 117.98 116.19 2rpq s PHE 62 Ca 0.20 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.23 2rpq s PHE 62 Cb 0.03 -0.48 0.01 0.00 -0.34 0.00 0.00 43.02 42.23 2rpq s PHE 62 CO 0.03 -0.18 0.29 -3.47 -1.46 0.00 0.00 175.22 170.42 2rpq n ASP 63 N 4.79 -5.72 0.00 6.13 2.03 -1.26 -0.92 116.55 121.61 2rpq n ASP 63 Ca -0.14 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.04 2rpq n ASP 63 Cb 0.50 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 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 -1.23 0.58 3.41 0.27 0.00 -1.26 -5.05 105.19 101.92 2rpq n GLY 64 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.02 2.17 0.33 1.61 -0.21 -0.10 -5.11 119.66 118.32 2rpq s GLN 65 Ca 0.00 -0.90 -0.27 0.00 0.02 0.00 0.00 55.36 54.21 2rpq s GLN 65 Cb 0.00 -2.17 -0.09 0.00 1.00 0.00 0.00 33.01 31.74 2rpq s GLN 65 CO 0.00 0.57 1.08 -1.25 -2.12 0.00 0.00 175.29 173.56 2rpq s PRO 66 N -0.98 4.45 0.02 2.91 0.04 -1.26 -0.67 135.00 139.51 2rpq s PRO 66 Ca 0.12 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2rpq s PRO 66 Cb -0.10 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2rpq s PRO 66 CO 0.02 0.07 -0.20 0.96 0.04 0.00 0.00 177.00 177.89 2rpq s ILE 67 N -1.36 2.66 0.34 0.56 -4.36 -1.24 -4.85 121.20 112.95 2rpq s ILE 67 Ca 0.50 -1.15 -0.07 0.00 -0.26 0.00 0.00 60.65 59.67 2rpq s ILE 67 Cb -0.28 -2.08 -0.06 0.00 1.25 0.00 0.00 42.46 41.29 2rpq s ILE 67 CO 0.36 0.40 0.65 0.20 0.24 0.00 0.00 174.94 176.79 2rpq s ASN 68 N -1.23 6.48 0.54 4.36 0.01 -1.26 -4.82 114.94 119.01 2rpq s ASN 68 Ca 0.13 0.90 0.22 0.00 -0.71 0.00 0.00 52.86 53.41 2rpq s ASN 68 Cb -0.10 -2.22 1.45 0.00 0.41 0.00 0.00 41.25 40.79 2rpq s ASN 68 CO 0.04 -0.29 2.16 -0.33 -1.51 0.00 0.00 177.10 177.17 2rpq h GLU 69 N 1.49 0.00 -0.34 -0.60 5.08 -1.98 -0.79 114.58 117.44 2rpq h GLU 69 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2rpq h GLU 69 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2rpq h GLU 69 CO 0.65 0.04 0.00 2.41 -1.00 0.00 0.00 179.01 181.11 2rpq n THR 70 N -4.16 0.44 -1.49 1.13 -1.04 -1.26 -1.65 114.28 106.25 2rpq n THR 70 Ca -0.03 -0.61 -0.29 0.00 -2.04 0.00 0.00 64.05 61.08 2rpq n THR 70 Cb 0.13 0.68 0.19 0.00 -1.82 0.00 0.00 70.33 69.50 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2rpq s ASP 71 N -1.44 2.51 0.15 8.00 1.01 -0.30 -4.85 116.67 121.76 2rpq s ASP 71 Ca 0.36 0.66 -0.12 0.00 0.71 0.00 0.00 52.55 54.16 2rpq s ASP 71 Cb 0.20 -0.97 0.01 0.00 1.01 0.00 0.00 42.92 43.17 2rpq s ASP 71 CO 0.29 -3.14 0.34 0.42 0.21 0.00 0.00 175.17 173.29 2rpq s THR 72 N -3.36 0.07 0.42 -1.27 -4.23 -1.26 -1.55 115.64 104.47 2rpq s THR 72 Ca 0.69 -1.07 0.12 0.00 -1.18 0.00 0.00 61.69 60.25 2rpq s THR 72 Cb -0.10 -1.58 0.31 0.00 1.34 0.00 0.00 72.50 72.47 2rpq s THR 72 CO 0.54 -0.32 2.00 -0.65 -0.54 0.00 0.00 174.62 175.65 2rpq h PRO 73 N 2.47 0.45 -0.20 3.99 0.11 -1.73 -1.49 132.00 135.58 2rpq h PRO 73 Ca -0.32 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 2rpq h PRO 73 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2rpq h PRO 73 CO 0.47 0.30 -0.20 0.00 -0.21 0.00 0.00 178.00 178.35 2rpq h ALA 74 N 1.71 0.30 -0.32 -0.75 0.00 -1.91 -1.26 119.26 117.02 2rpq h ALA 74 Ca 0.24 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2rpq h ALA 74 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2rpq h ALA 74 CO -0.07 0.24 -0.09 1.96 0.00 0.00 0.00 179.25 181.30 2rpq h GLN 75 N 0.17 0.63 -0.00 0.00 4.20 -1.90 -3.17 115.11 115.05 2rpq h GLN 75 Ca 0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2rpq h GLN 75 Cb 0.75 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2rpq h GLN 75 CO 0.05 0.81 -0.46 -0.11 -0.67 0.00 0.00 178.83 178.45 2rpq n LEU 76 N -4.44 0.71 -3.20 1.46 7.94 -0.57 -4.97 117.00 113.93 2rpq n LEU 76 Ca -0.03 -0.12 -0.18 0.00 -1.11 0.00 0.00 56.01 54.57 2rpq n LEU 76 Cb 0.33 -0.19 0.08 0.00 0.53 0.00 0.00 43.42 44.17 2rpq n LEU 76 CO 0.41 0.16 0.16 -0.62 -1.11 0.00 0.00 177.39 176.39 2rpq n GLU 77 N -1.22 -6.49 -1.58 1.96 1.02 -0.65 -5.02 120.64 108.67 2rpq n GLU 77 Ca 0.07 0.74 -0.36 0.00 -0.02 0.00 0.00 57.16 57.60 2rpq n GLU 77 Cb 0.34 -5.49 0.08 0.00 -0.02 0.00 0.00 31.44 26.35 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 -4.14 0.88 -4.74 3.49 2.81 -0.57 -5.02 117.12 109.83 2rpq n MET 78 Ca -0.12 0.36 -0.32 0.00 -1.81 0.00 0.00 57.70 55.81 2rpq n MET 78 Cb 0.60 -2.47 -0.08 0.00 -0.71 0.00 0.00 33.22 30.56 2rpq n MET 78 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2rpq s GLU 79 N -3.47 2.16 0.57 0.03 2.02 -1.26 -4.90 118.70 113.84 2rpq s GLU 79 Ca 0.80 -2.37 0.27 0.00 0.02 0.00 0.00 54.97 53.69 2rpq s GLU 79 Cb -0.36 -1.49 1.58 0.00 0.10 0.00 0.00 34.13 33.96 2rpq s GLU 79 CO 0.43 -0.35 2.09 0.38 0.02 0.00 0.00 175.26 177.83 2rpq h ASP 80 N 1.41 0.00 -2.64 -0.19 2.03 -1.91 -2.80 116.42 112.32 2rpq h ASP 80 Ca -0.43 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.27 2rpq h ASP 80 Cb 1.31 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.42 2rpq h ASP 80 CO 0.74 0.00 -0.87 -1.61 -1.03 0.00 0.00 179.24 176.47 2rpq s GLU 81 N -4.74 1.09 0.69 4.15 2.02 -1.17 -0.77 118.70 119.97 2rpq s GLU 81 Ca -0.05 -2.11 -0.09 0.00 0.02 0.00 0.00 54.97 52.74 2rpq s GLU 81 Cb 0.16 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.65 2rpq s GLU 81 CO 0.59 -1.31 1.05 0.34 0.02 0.00 0.00 175.26 175.95 2rpq s ASP 82 N 0.09 5.22 -0.11 -0.19 2.15 -0.33 -4.92 116.67 118.59 2rpq s ASP 82 Ca 0.27 0.86 -0.01 0.00 0.43 0.00 0.00 52.55 54.10 2rpq s ASP 82 Cb -0.06 -1.63 0.03 0.00 -0.30 0.00 0.00 42.92 40.96 2rpq s ASP 82 CO -0.13 -1.41 -0.03 -0.89 -0.17 0.00 0.00 175.17 172.54 2rpq s THR 83 N -3.29 0.70 -0.06 1.71 2.01 -1.26 -0.91 115.64 114.54 2rpq s THR 83 Ca 0.58 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 2rpq s THR 83 Cb -0.11 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2rpq s THR 83 CO 0.49 0.23 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.99 2rpq s ILE 84 N 1.83 4.02 -0.11 1.82 -1.09 0.50 -4.98 121.20 123.19 2rpq s ILE 84 Ca 0.04 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2rpq s ILE 84 Cb -0.13 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 2rpq s ILE 84 CO -0.07 0.56 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.51 2rpq s ASP 85 N -0.99 4.55 -0.17 3.58 2.15 -0.89 -0.78 116.67 124.13 2rpq s ASP 85 Ca 0.14 -0.13 -0.03 0.00 0.43 0.00 0.00 52.55 52.96 2rpq s ASP 85 Cb -0.11 -1.47 -0.02 0.00 -0.30 0.00 0.00 42.92 41.02 2rpq s ASP 85 CO 0.03 0.25 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.54 2rpq s VAL 86 N -0.15 3.56 0.01 1.11 1.01 -0.75 -0.20 120.40 124.99 2rpq s VAL 86 Ca 0.02 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2rpq s VAL 86 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2rpq s VAL 86 CO 0.03 0.47 -0.19 0.12 0.00 0.00 0.00 175.10 175.53 2rpq s PHE 87 N 0.73 2.55 0.09 5.22 5.36 -0.06 -4.50 117.98 127.36 2rpq s PHE 87 Ca -0.03 -0.27 -0.21 0.00 -0.96 0.00 0.00 56.93 55.47 2rpq s PHE 87 Cb -0.15 -1.51 -0.07 0.00 -0.34 0.00 0.00 43.02 40.96 2rpq s PHE 87 CO 0.02 0.19 0.61 -0.65 -1.46 0.00 0.00 175.22 173.93 2rpq s GLN 88 N -1.13 4.28 0.20 10.12 -0.21 -1.26 -0.95 119.66 130.71 2rpq s GLN 88 Ca 0.13 0.83 0.01 0.00 0.02 0.00 0.00 55.36 56.35 2rpq s GLN 88 Cb -0.10 -3.25 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 2rpq s GLN 88 CO 0.03 0.62 0.06 -0.65 -2.12 0.00 0.00 175.29 173.23 2rpq s GLN 89 N -1.09 1.21 -0.10 2.91 1.11 -0.56 -4.92 119.66 118.23 2rpq s GLN 89 Ca 0.30 -1.62 -0.00 0.00 0.01 0.00 0.00 55.36 54.05 2rpq s GLN 89 Cb -0.20 -0.12 0.02 0.00 -1.01 0.00 0.00 33.01 31.70 2rpq s GLN 89 CO 0.20 -0.25 -0.06 -1.14 0.01 0.00 0.00 175.29 174.06 2rpq s GLN 90 N -4.01 1.26 0.10 2.91 2.00 -1.26 -4.37 119.66 116.29 2rpq s GLN 90 Ca 0.31 -0.16 -0.25 0.00 -2.00 0.00 0.00 55.36 53.26 2rpq s GLN 90 Cb 0.07 -1.39 0.07 0.00 0.80 0.00 0.00 33.01 32.57 2rpq s GLN 90 CO 0.08 -0.26 0.65 -0.08 -0.50 0.00 0.00 175.29 175.19 2rpq s THR 91 N 1.70 0.00 -0.02 -0.34 -1.32 -1.26 -5.06 115.64 109.34 2rpq s THR 91 Ca 0.04 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.60 2rpq s THR 91 Cb -0.13 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.73 2rpq s THR 91 CO -0.07 0.00 0.18 0.61 -2.21 0.00 0.00 174.62 173.13 2rpq n GLY 92 N -0.08 -0.39 3.23 6.08 0.00 -1.26 -4.76 105.19 108.01 2rpq n GLY 92 Ca -0.17 -0.20 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