#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpv s VAL 3 N 0.00 1.39 0.06 -1.45 1.01 -1.26 -5.12 120.40 115.03 2qpv s VAL 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2qpv s VAL 3 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2qpv s VAL 3 CO 0.00 0.00 0.20 -1.10 0.00 0.00 0.00 175.10 174.20 2qpv s GLN 5 N -5.40 3.39 0.18 2.72 -0.21 -1.26 -5.13 119.66 113.94 2qpv s GLN 5 Ca 0.71 -0.47 -0.08 0.00 0.02 0.00 0.00 55.36 55.55 2qpv s GLN 5 Cb -0.09 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.90 2qpv s GLN 5 CO 0.56 0.60 0.27 -1.54 -2.12 0.00 0.00 175.29 173.07 2qpv s SER 6 N -2.52 0.06 -0.16 5.90 1.04 -1.26 -0.16 113.70 116.60 2qpv s SER 6 Ca 0.34 -0.98 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 2qpv s SER 6 Cb -0.13 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.49 2qpv s SER 6 CO 0.27 -0.91 0.38 -0.60 0.98 0.00 0.00 173.24 173.36 2qpv s ARG 7 N -4.01 0.34 -0.38 4.02 3.52 -0.50 -5.00 118.95 116.94 2qpv s ARG 7 Ca 0.22 0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 56.48 2qpv s ARG 7 Cb 0.04 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 2qpv s ARG 7 CO 0.03 -0.18 0.24 0.42 -0.81 0.00 0.00 175.30 175.01 2qpv s ILE 8 N 1.63 4.89 -0.07 4.11 1.01 -1.26 -0.26 121.20 131.25 2qpv s ILE 8 Ca -0.08 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 2qpv s ILE 8 Cb -0.09 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2qpv s ILE 8 CO -0.12 -0.24 0.62 -0.63 0.00 0.00 0.00 174.94 174.57 2qpv s ILE 9 N 1.62 5.06 0.08 2.92 -1.09 0.19 -4.91 121.20 125.06 2qpv s ILE 9 Ca 0.04 1.28 -0.18 0.00 -2.23 0.00 0.00 60.65 59.55 2qpv s ILE 9 Cb -0.19 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2qpv s ILE 9 CO 0.08 0.30 0.43 -1.38 -1.23 0.00 0.00 174.94 173.15 2qpv s HIS 10 N 0.56 -0.28 0.28 3.97 -3.43 -1.26 0.01 115.29 115.15 2qpv s HIS 10 Ca 0.33 0.14 -0.18 0.00 -0.80 0.00 0.00 55.06 54.56 2qpv s HIS 10 Cb -0.17 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2qpv s HIS 10 CO 0.16 -0.64 0.65 -0.48 -2.00 0.00 0.00 174.74 172.43 2qpv s LEU 11 N -2.32 -0.04 0.00 5.38 0.05 -0.51 -4.99 118.68 116.26 2qpv s LEU 11 Ca -0.02 -0.78 -0.01 0.00 0.05 0.00 0.00 54.13 53.37 2qpv s LEU 11 Cb 0.00 2.44 -0.04 0.00 -2.05 0.00 0.00 46.19 46.55 2qpv s LEU 11 CO -0.06 -1.33 0.12 -0.94 -0.55 0.00 0.00 176.35 173.59 2qpv s SER 12 N -2.97 5.92 -0.07 1.48 1.04 -1.26 -0.67 113.70 117.15 2qpv s SER 12 Ca 0.15 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.82 2qpv s SER 12 Cb -0.04 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2qpv s SER 12 CO 0.08 0.26 -0.19 -0.69 0.98 0.00 0.00 173.24 173.69 2qpv s VAL 13 N -1.26 1.61 -1.20 5.02 1.01 0.28 -4.97 120.40 120.89 2qpv s VAL 13 Ca 0.25 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2qpv s VAL 13 Cb -0.12 -1.41 0.12 0.00 0.00 0.00 0.00 36.38 34.97 2qpv s VAL 13 CO 0.16 0.46 2.42 -0.62 0.00 0.00 0.00 175.10 177.52 2qpv n GLU 14 N 3.51 4.35 -3.97 2.72 1.02 -1.26 -1.11 120.64 125.90 2qpv n GLU 14 Ca -0.20 -3.36 -0.09 0.00 -0.02 0.00 0.00 57.16 53.49 2qpv n GLU 14 Cb 0.52 -2.56 -0.10 0.00 -0.02 0.00 0.00 31.44 29.28 2qpv n GLU 14 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qpv s LYS 15 N -1.34 0.47 0.73 3.49 -0.14 -1.26 -4.93 119.74 116.76 2qpv s LYS 15 Ca 0.54 -0.73 -0.16 0.00 -1.36 0.00 0.00 55.97 54.26 2qpv s LYS 15 Cb 0.21 0.18 -0.00 0.00 -1.68 0.00 0.00 37.83 36.54 2qpv s LYS 15 CO -0.11 -0.10 0.85 -2.30 -0.76 0.00 0.00 175.35 172.92 2qpv n PRO 16 N 1.07 0.41 -0.26 -1.68 -0.02 -1.25 -3.47 135.00 129.79 2qpv n PRO 16 Ca -0.21 0.19 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 2qpv n PRO 16 Cb 0.57 -2.12 0.08 0.00 -0.02 0.00 0.00 33.50 32.02 2qpv n PRO 16 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2qpv h TRP 17 N -0.36 0.85 -0.55 6.00 7.01 -1.83 -2.88 115.95 124.19 2qpv h TRP 17 Ca -0.47 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.48 2qpv h TRP 17 Cb 1.33 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 28.09 2qpv h TRP 17 CO 0.39 0.49 0.04 0.00 -2.79 0.00 0.00 178.44 176.57 2qpv h ALA 18 N 1.31 1.05 0.00 2.65 0.00 -1.96 -2.03 119.26 120.28 2qpv h ALA 18 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qpv h ALA 18 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qpv h ALA 18 CO -0.11 0.60 -0.31 1.05 0.00 0.00 0.00 179.25 180.48 2qpv h GLU 19 N 0.84 0.00 -0.07 0.00 4.11 -1.92 -1.74 114.58 115.80 2qpv h GLU 19 Ca 0.17 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.36 2qpv h GLU 19 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2qpv h GLU 19 CO 0.02 0.00 -0.89 0.28 0.07 0.00 0.00 179.01 178.48 2qpv h VAL 20 N 0.00 1.30 -0.17 -1.06 2.07 -1.32 -3.01 116.25 114.06 2qpv h VAL 20 Ca 0.00 -2.14 -0.07 0.00 0.82 0.00 0.00 66.70 65.31 2qpv h VAL 20 Cb 0.96 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2qpv h VAL 20 CO 0.00 0.66 -0.18 0.22 0.02 0.00 0.00 177.57 178.29 2qpv h TYR 21 N 0.43 0.52 -0.80 1.57 3.20 -1.37 -1.04 116.97 119.48 2qpv h TYR 21 Ca -0.08 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 61.69 2qpv h TYR 21 Cb 1.53 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.64 2qpv h TYR 21 CO 0.09 0.81 0.52 -0.44 -1.64 0.00 0.00 178.16 177.50 2qpv h ASP 22 N 0.08 0.78 0.10 -2.11 3.32 -1.42 0.21 116.42 117.39 2qpv h ASP 22 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2qpv h ASP 22 Cb 0.73 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2qpv h ASP 22 CO 0.05 0.51 -0.05 0.15 -1.72 0.00 0.00 179.24 178.18 2qpv h PHE 23 N 0.89 -0.13 0.00 4.55 3.57 -1.54 -3.32 116.94 120.97 2qpv h PHE 23 Ca 0.34 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 2qpv h PHE 23 Cb 0.20 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2qpv h PHE 23 CO -0.00 0.35 -0.23 0.00 -2.23 0.00 0.00 178.31 176.20 2qpv h ALA 24 N -0.35 1.09 -0.00 2.41 0.00 -1.01 -2.53 119.26 118.87 2qpv h ALA 24 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qpv h ALA 24 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qpv h ALA 24 CO 0.02 0.28 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 2qpv n ALA 25 N -2.25 2.75 -2.61 0.00 0.00 0.74 -4.70 120.51 114.43 2qpv n ALA 25 Ca -0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 2qpv n ALA 25 Cb 0.39 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 2qpv n ALA 25 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qpv s ASN 26 N -2.42 6.42 0.56 0.00 3.84 -0.95 -4.91 114.94 117.47 2qpv s ASN 26 Ca 0.30 -0.07 0.33 0.00 0.21 0.00 0.00 52.86 53.64 2qpv s ASN 26 Cb 0.20 -2.48 1.57 0.00 -0.55 0.00 0.00 41.25 39.99 2qpv s ASN 26 CO 0.46 -1.28 2.07 -0.65 -2.79 0.00 0.00 177.10 174.92 2qpv h PRO 27 N 9.34 0.00 0.00 0.43 0.11 -1.87 0.38 132.00 140.39 2qpv h PRO 27 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2qpv h PRO 27 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qpv h PRO 27 CO 1.11 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 2qpv n GLY 28 N -0.37 -1.05 2.56 -0.55 0.00 -1.26 -4.48 105.19 100.05 2qpv n GLY 28 Ca -0.01 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2qpv n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qpv n ASN 29 N -2.07 7.68 0.00 1.61 3.02 0.12 -4.83 115.26 120.79 2qpv n ASN 29 Ca 0.01 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 2qpv n ASN 29 Cb 0.14 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2qpv n ASN 29 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2qpv n PRO 31 N 1.05 0.00 0.26 3.52 -0.02 -1.26 -3.92 135.00 134.62 2qpv n PRO 31 Ca 0.55 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 2qpv n PRO 31 Cb 0.26 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.40 2qpv n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qpv h ARG 32 N 0.00 0.00 0.00 -0.52 3.08 -1.90 -3.36 114.38 111.68 2qpv h ARG 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qpv h ARG 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2qpv h ARG 32 CO 0.00 0.00 -0.07 -2.67 -1.07 0.00 0.00 179.97 176.16 2qpv n TRP 33 N -2.97 0.00 -3.02 3.04 4.27 -1.25 -4.94 117.44 112.57 2qpv n TRP 33 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 2qpv n TRP 33 Cb 0.29 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.18 2qpv n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2qpv s ALA 34 N -0.69 3.31 0.28 -1.67 0.00 -1.26 -4.50 121.76 117.22 2qpv s ALA 34 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 2qpv s ALA 34 Cb 0.00 -3.42 0.37 0.00 0.00 0.00 0.00 23.12 20.07 2qpv s ALA 34 CO 0.00 -1.92 1.92 0.00 0.00 0.00 0.00 175.76 175.76 2qpv h ALA 35 N 8.97 1.31 0.00 0.00 0.00 -1.92 0.70 119.26 128.32 2qpv h ALA 35 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qpv h ALA 35 Cb 1.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qpv h ALA 35 CO 0.95 0.58 0.02 0.78 0.00 0.00 0.00 179.25 181.58 2qpv h GLY 36 N 1.15 0.00 -0.55 0.00 0.00 -1.97 -1.58 103.07 100.13 2qpv h GLY 36 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2qpv h GLY 36 CO -0.05 0.00 -0.14 1.04 0.00 0.00 0.00 176.54 177.39 2qpv n LEU 37 N -2.42 1.37 -0.42 3.11 4.77 0.18 -4.70 117.00 118.89 2qpv n LEU 37 Ca -0.02 -0.83 0.36 0.00 -0.03 0.00 0.00 56.01 55.49 2qpv n LEU 37 Cb 0.06 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.77 2qpv n LEU 37 CO 0.12 0.27 1.11 0.00 -1.33 0.00 0.00 177.39 177.56 2qpv n ALA 38 N -0.02 1.23 1.97 -1.18 0.00 -0.60 0.75 120.51 122.65 2qpv n ALA 38 Ca 0.05 0.81 0.08 0.00 0.00 0.00 0.00 53.44 54.38 2qpv n ALA 38 Cb 0.22 -0.97 0.50 0.00 0.00 0.00 0.00 19.45 19.19 2qpv n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpv n GLY 39 N -1.45 -0.98 0.00 0.00 0.00 -1.26 -4.93 105.19 96.57 2qpv n GLY 39 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2qpv n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpv n GLY 40 N 0.74 2.64 3.07 -0.02 0.00 0.23 -4.96 105.19 106.88 2qpv n GLY 40 Ca 0.13 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 2qpv n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qpv s LEU 41 N 0.00 -0.54 -0.16 0.99 2.96 -1.26 -4.56 118.68 116.11 2qpv s LEU 41 Ca 0.00 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 2qpv s LEU 41 Cb 0.00 1.08 -0.04 0.00 0.50 0.00 0.00 46.19 47.73 2qpv s LEU 41 CO 0.00 -0.26 0.13 -1.61 -1.32 0.00 0.00 176.35 173.29 2qpv s GLU 42 N 2.53 3.83 0.29 1.98 8.01 -0.35 -4.91 118.70 130.08 2qpv s GLU 42 Ca 0.04 -0.19 -0.30 0.00 0.01 0.00 0.00 54.97 54.53 2qpv s GLU 42 Cb -0.13 -3.30 -0.11 0.00 -4.31 0.00 0.00 34.13 26.28 2qpv s GLU 42 CO -0.13 0.52 1.51 0.00 0.01 0.00 0.00 175.26 177.17 2qpv s ALA 43 N -0.28 3.67 -0.29 5.21 0.00 -1.26 -0.99 121.76 127.82 2qpv s ALA 43 Ca 0.11 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.57 2qpv s ALA 43 Cb -0.12 -3.60 0.17 0.00 0.00 0.00 0.00 23.12 19.58 2qpv s ALA 43 CO 0.01 -0.88 0.46 0.34 0.00 0.00 0.00 175.76 175.68 2qpv s ASP 44 N 0.31 -0.17 -1.33 0.00 2.15 0.35 -4.88 116.67 113.10 2qpv s ASP 44 Ca 0.60 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.33 2qpv s ASP 44 Cb -0.45 1.36 0.00 0.00 -0.30 0.00 0.00 42.92 43.53 2qpv s ASP 44 CO 0.48 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 2qpv n GLY 45 N 5.35 -0.26 2.10 2.66 0.00 -1.26 -0.88 105.19 112.91 2qpv n GLY 45 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 2qpv n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qpv n GLU 46 N -2.49 -0.23 -4.60 1.61 1.02 -1.26 -5.04 120.64 109.65 2qpv n GLU 46 Ca -0.18 0.38 -0.28 0.00 -0.02 0.00 0.00 57.16 57.05 2qpv n GLU 46 Cb 0.64 -3.82 -0.08 0.00 -0.02 0.00 0.00 31.44 28.16 2qpv n GLU 46 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qpv s ASP 47 N -2.56 3.25 0.05 1.62 1.01 -0.06 -4.90 116.67 115.08 2qpv s ASP 47 Ca 0.00 -1.72 0.07 0.00 0.71 0.00 0.00 52.55 51.62 2qpv s ASP 47 Cb 0.00 0.61 -0.03 0.00 1.01 0.00 0.00 42.92 44.51 2qpv s ASP 47 CO 0.00 -0.96 -0.21 0.26 0.21 0.00 0.00 175.17 174.47 2qpv s TRP 48 N -3.10 1.82 -0.06 4.23 0.52 -0.34 0.13 118.94 122.15 2qpv s TRP 48 Ca 0.16 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.94 2qpv s TRP 48 Cb 0.01 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.26 2qpv s TRP 48 CO 0.11 0.10 -0.17 -1.50 0.02 0.00 0.00 176.95 175.52 2qpv s ILE 49 N -0.84 1.44 -0.22 2.03 2.07 -0.16 -0.06 121.20 125.46 2qpv s ILE 49 Ca 0.07 -0.69 -0.06 0.00 -1.41 0.00 0.00 60.65 58.56 2qpv s ILE 49 Cb -0.09 -1.25 -0.03 0.00 0.13 0.00 0.00 42.46 41.22 2qpv s ILE 49 CO 0.02 0.42 0.04 0.00 -1.91 0.00 0.00 174.94 173.51 2qpv s ALA 50 N 0.25 3.15 0.17 1.50 0.00 -0.04 -1.21 121.76 125.57 2qpv s ALA 50 Ca -0.09 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 50.97 2qpv s ALA 50 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2qpv s ALA 50 CO 0.04 -0.23 -0.23 0.15 0.00 0.00 0.00 175.76 175.49 2qpv s LYS 51 N 1.14 1.40 0.00 0.00 1.02 -1.26 -1.64 119.74 120.40 2qpv s LYS 51 Ca 0.04 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.58 2qpv s LYS 51 Cb -0.14 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2qpv s LYS 51 CO 0.02 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2qpv n GLY 52 N 0.42 0.01 6.36 -3.33 0.00 -1.24 -4.80 105.19 102.61 2qpv n GLY 52 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qpv n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpv n GLY 53 N 1.88 0.42 0.07 -0.02 0.00 -1.26 -2.28 105.19 104.00 2qpv n GLY 53 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2qpv n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qpv h PRO 54 N 0.00 0.05 -0.06 1.61 0.13 -2.03 -3.33 132.00 128.36 2qpv h PRO 54 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2qpv h PRO 54 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2qpv h PRO 54 CO 0.00 0.64 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 2qpv n LEU 55 N -4.75 0.65 0.00 1.56 4.77 -1.23 -4.96 117.00 113.03 2qpv n LEU 55 Ca -0.09 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2qpv n LEU 55 Cb 0.32 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2qpv n LEU 55 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2qpv n GLY 56 N 0.93 0.12 3.64 -0.72 0.00 -0.96 -4.66 105.19 103.54 2qpv n GLY 56 Ca 0.15 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2qpv n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qpv s GLU 57 N 0.00 0.68 -0.01 1.61 -6.30 -1.26 -3.69 118.70 109.73 2qpv s GLU 57 Ca 0.00 1.04 0.01 0.00 -2.50 0.00 0.00 54.97 53.52 2qpv s GLU 57 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 34.13 34.35 2qpv s GLU 57 CO 0.00 -0.12 -0.03 0.08 0.02 0.00 0.00 175.26 175.21 2qpv s VAL 58 N 1.14 0.29 -0.04 3.70 1.01 -0.65 -3.90 120.40 121.95 2qpv s VAL 58 Ca -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2qpv s VAL 58 Cb -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2qpv s VAL 58 CO -0.13 0.10 0.14 -0.13 0.00 0.00 0.00 175.10 175.08 2qpv s ARG 59 N 0.12 3.32 -0.07 2.72 0.52 -1.03 -0.86 118.95 123.67 2qpv s ARG 59 Ca -0.01 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 2qpv s ARG 59 Cb -0.04 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 32.40 2qpv s ARG 59 CO -0.00 0.70 -0.13 0.08 0.02 0.00 0.00 175.30 175.96 2qpv s VAL 60 N -1.19 1.22 -0.18 3.52 1.01 0.91 -1.12 120.40 124.58 2qpv s VAL 60 Ca 0.22 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2qpv s VAL 60 Cb -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2qpv s VAL 60 CO 0.13 0.37 -0.14 0.21 0.00 0.00 0.00 175.10 175.67 2qpv s ASN 61 N 0.59 3.65 0.11 3.32 2.47 -0.63 -1.20 114.94 123.25 2qpv s ASN 61 Ca -0.14 -0.50 0.02 0.00 0.42 0.00 0.00 52.86 52.65 2qpv s ASN 61 Cb -0.16 -1.58 -0.04 0.00 -1.45 0.00 0.00 41.25 38.03 2qpv s ASN 61 CO 0.04 0.04 0.24 -0.36 -3.72 0.00 0.00 177.10 173.34 2qpv s PHE 62 N 1.09 3.48 0.44 0.43 0.08 -1.26 -1.03 117.98 121.22 2qpv s PHE 62 Ca 0.00 0.17 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 2qpv s PHE 62 Cb -0.14 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.51 2qpv s PHE 62 CO -0.04 0.55 1.26 0.00 -0.10 0.00 0.00 175.22 176.88 2qpv n ALA 63 N -0.17 1.23 -1.53 5.36 0.00 -0.62 -4.99 120.51 119.80 2qpv n ALA 63 Ca -0.06 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 2qpv n ALA 63 Cb 0.53 -2.26 0.08 0.00 0.00 0.00 0.00 19.45 17.80 2qpv n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qpv s PRO 64 N -2.27 2.34 0.04 0.00 0.04 -1.26 -4.90 135.00 128.98 2qpv s PRO 64 Ca 0.62 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 2qpv s PRO 64 Cb -0.50 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2qpv s PRO 64 CO 0.57 -1.72 1.88 -1.01 0.04 0.00 0.00 177.00 176.76 2qpv s HIS 65 N -1.70 1.58 0.44 0.56 3.76 -1.26 -4.96 115.29 113.71 2qpv s HIS 65 Ca 0.78 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.47 2qpv s HIS 65 Cb -0.33 -4.17 -0.02 0.00 1.11 0.00 0.00 32.58 29.17 2qpv s HIS 65 CO 0.42 -5.11 0.11 0.54 -0.85 0.00 0.00 174.74 169.85 2qpv s ASN 66 N 3.90 3.13 0.00 1.40 2.20 -1.26 -5.06 114.94 119.25 2qpv s ASN 66 Ca 0.84 -1.70 0.21 0.00 -0.94 0.00 0.00 52.86 51.27 2qpv s ASN 66 Cb -0.42 0.56 0.55 0.00 -2.00 0.00 0.00 41.25 39.94 2qpv s ASN 66 CO 0.38 -0.95 1.46 -0.62 -2.94 0.00 0.00 177.10 174.44 2qpv n GLU 67 N -1.01 2.46 -0.22 3.55 1.02 -1.26 -4.43 120.64 120.74 2qpv n GLU 67 Ca -0.09 -2.24 0.08 0.00 -0.02 0.00 0.00 57.16 54.89 2qpv n GLU 67 Cb 0.65 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.77 2qpv n GLU 67 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qpv n PHE 68 N 1.36 0.58 -1.37 -0.32 3.72 -1.26 -4.96 117.46 115.21 2qpv n PHE 68 Ca 0.21 -0.44 -0.13 0.00 -0.05 0.00 0.00 57.45 57.04 2qpv n PHE 68 Cb 0.55 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 2qpv n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qpv n GLY 69 N 0.94 1.31 3.67 1.37 0.00 -1.26 -4.70 105.19 106.51 2qpv n GLY 69 Ca 0.16 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2qpv n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpv s VAL 70 N -2.33 4.86 -0.16 1.61 1.01 -1.26 -0.85 120.40 123.28 2qpv s VAL 70 Ca 0.00 1.70 0.15 0.00 0.00 0.00 0.00 61.98 63.83 2qpv s VAL 70 Cb 0.00 -4.17 0.43 0.00 0.00 0.00 0.00 36.38 32.64 2qpv s VAL 70 CO 0.00 0.02 1.20 -0.38 0.00 0.00 0.00 175.10 175.94 2qpv n ILE 71 N 4.73 1.61 -1.44 2.22 5.41 0.11 -4.73 119.36 127.27 2qpv n ILE 71 Ca 0.05 -2.70 -0.43 0.00 1.00 0.00 0.00 62.75 60.67 2qpv n ILE 71 Cb 0.49 0.07 -0.01 0.00 -0.71 0.00 0.00 39.64 39.49 2qpv n ILE 71 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2qpv n ASP 72 N -0.65 -0.90 -3.89 4.38 9.92 -1.10 -4.50 116.55 119.82 2qpv n ASP 72 Ca 0.17 0.98 -0.11 0.00 -0.53 0.00 0.00 54.79 55.30 2qpv n ASP 72 Cb 0.83 -1.07 -0.10 0.00 -0.64 0.00 0.00 41.12 40.14 2qpv n ASP 72 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2qpv s HIS 73 N -1.34 0.06 -0.20 1.24 -3.43 -0.52 -1.58 115.29 109.52 2qpv s HIS 73 Ca 0.62 -0.16 -0.06 0.00 -0.80 0.00 0.00 55.06 54.66 2qpv s HIS 73 Cb -0.69 -0.06 -0.03 0.00 -1.43 0.00 0.00 32.58 30.36 2qpv s HIS 73 CO 0.59 -0.25 0.04 0.08 -2.00 0.00 0.00 174.74 173.20 2qpv s VAL 74 N -1.27 4.39 -0.19 -5.38 1.01 -0.19 -0.44 120.40 118.32 2qpv s VAL 74 Ca -0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2qpv s VAL 74 Cb -0.07 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2qpv s VAL 74 CO 0.01 0.42 0.08 -0.69 0.00 0.00 0.00 175.10 174.92 2qpv s VAL 75 N 0.85 4.94 -0.43 2.92 1.01 0.96 -1.61 120.40 129.04 2qpv s VAL 75 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2qpv s VAL 75 Cb -0.14 -3.24 0.08 0.00 0.00 0.00 0.00 36.38 33.08 2qpv s VAL 75 CO 0.02 0.45 0.29 -0.89 0.00 0.00 0.00 175.10 174.97 2qpv s THR 76 N 0.44 4.45 0.72 3.92 2.01 -0.27 0.41 115.64 127.32 2qpv s THR 76 Ca 0.04 -1.32 -0.15 0.00 0.31 0.00 0.00 61.69 60.57 2qpv s THR 76 Cb -0.12 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.72 2qpv s THR 76 CO 0.00 -0.52 1.19 -0.76 -0.69 0.00 0.00 174.62 173.84 2qpv s LEU 77 N 1.47 3.31 0.26 4.42 1.43 -0.49 -2.48 118.68 126.61 2qpv s LEU 77 Ca 0.03 2.29 0.19 0.00 -1.03 0.00 0.00 54.13 55.61 2qpv s LEU 77 Cb -0.23 -4.58 0.98 0.00 0.03 0.00 0.00 46.19 42.39 2qpv s LEU 77 CO 0.03 -2.18 1.59 -0.81 0.23 0.00 0.00 176.35 175.21 2qpv n PRO 78 N -2.72 0.13 -0.01 1.29 -0.04 -1.25 0.68 135.00 133.08 2qpv n PRO 78 Ca 0.13 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 2qpv n PRO 78 Cb 0.51 -1.88 0.44 0.00 -0.04 0.00 0.00 33.50 32.53 2qpv n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qpv n ASP 79 N -2.14 1.79 0.00 3.54 5.75 -1.26 -4.96 116.55 119.27 2qpv n ASP 79 Ca -0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 2qpv n ASP 79 Cb 0.07 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2qpv n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qpv n GLY 80 N 1.21 0.65 3.71 6.12 0.00 0.21 -5.05 105.19 112.04 2qpv n GLY 80 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qpv n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qpv s LEU 81 N 0.00 4.37 -0.22 0.99 2.96 -1.25 -4.77 118.68 120.76 2qpv s LEU 81 Ca 0.00 2.32 -0.15 0.00 -0.22 0.00 0.00 54.13 56.08 2qpv s LEU 81 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2qpv s LEU 81 CO 0.00 -0.66 0.37 -0.54 -1.32 0.00 0.00 176.35 174.20 2qpv s LYS 82 N 1.17 4.12 -0.23 1.98 1.02 -1.26 -1.40 119.74 125.15 2qpv s LYS 82 Ca 0.65 0.11 -0.01 0.00 0.02 0.00 0.00 55.97 56.74 2qpv s LYS 82 Cb -0.37 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.40 2qpv s LYS 82 CO 0.30 -0.09 -0.10 0.08 -0.92 0.00 0.00 175.35 174.62 2qpv s VAL 83 N 1.47 2.65 -0.26 3.17 1.01 0.17 -4.92 120.40 123.68 2qpv s VAL 83 Ca 0.17 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2qpv s VAL 83 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2qpv s VAL 83 CO 0.08 0.29 0.49 -0.47 0.00 0.00 0.00 175.10 175.49 2qpv s TYR 84 N 1.31 3.27 -0.28 5.22 5.04 -1.26 -0.03 117.35 130.62 2qpv s TYR 84 Ca 0.01 0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 55.22 2qpv s TYR 84 Cb -0.16 -2.69 0.03 0.00 0.35 0.00 0.00 41.96 39.50 2qpv s TYR 84 CO -0.07 -0.25 0.00 -0.80 -1.34 0.00 0.00 175.55 173.09 2qpv s ASN 85 N 1.52 4.77 -0.13 4.32 0.02 0.41 -4.83 114.94 121.02 2qpv s ASN 85 Ca 0.20 -1.01 -0.25 0.00 -1.02 0.00 0.00 52.86 50.79 2qpv s ASN 85 Cb -0.16 -1.74 -0.02 0.00 0.02 0.00 0.00 41.25 39.35 2qpv s ASN 85 CO 0.09 -0.21 0.79 0.00 0.02 0.00 0.00 177.10 177.79 2qpv s ALA 86 N 1.34 3.44 -0.03 0.60 0.00 -1.26 -1.44 121.76 124.42 2qpv s ALA 86 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 2qpv s ALA 86 Cb -0.18 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2qpv s ALA 86 CO -0.01 -0.45 0.03 -1.17 0.00 0.00 0.00 175.76 174.15 2qpv s LEU 87 N 1.65 0.86 -0.00 0.00 2.96 -1.26 -0.08 118.68 122.81 2qpv s LEU 87 Ca 0.38 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.22 2qpv s LEU 87 Cb -0.17 -0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.37 2qpv s LEU 87 CO 0.15 -0.15 0.18 -0.60 -1.32 0.00 0.00 176.35 174.61 2qpv s ARG 88 N 1.36 0.53 -0.08 1.98 3.52 -0.50 0.07 118.95 125.84 2qpv s ARG 88 Ca -0.05 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.24 2qpv s ARG 88 Cb -0.13 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 2qpv s ARG 88 CO -0.03 -0.13 -0.21 0.08 -0.81 0.00 0.00 175.30 174.20 2qpv s VAL 89 N -1.37 1.78 0.03 7.11 1.01 -0.03 -1.14 120.40 127.79 2qpv s VAL 89 Ca -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2qpv s VAL 89 Cb -0.07 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2qpv s VAL 89 CO 0.02 0.50 -0.01 0.42 0.00 0.00 0.00 175.10 176.04 2qpv s THR 90 N 0.27 0.13 0.35 3.92 -4.23 -0.30 -4.21 115.64 111.58 2qpv s THR 90 Ca -0.13 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.03 2qpv s THR 90 Cb -0.16 -0.54 -0.11 0.00 1.34 0.00 0.00 72.50 73.03 2qpv s THR 90 CO 0.06 -0.59 1.49 -2.16 -0.54 0.00 0.00 174.62 172.88 2qpv s PRO 91 N -1.97 4.14 -0.38 3.99 0.04 -1.26 -0.14 135.00 139.42 2qpv s PRO 91 Ca -0.11 2.53 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2qpv s PRO 91 Cb -0.06 -2.99 0.14 0.00 0.04 0.00 0.00 34.50 31.62 2qpv s PRO 91 CO -0.03 -0.51 0.22 1.21 0.04 0.00 0.00 177.00 177.92 2qpv s ASN 92 N -0.04 3.21 1.77 6.66 3.84 0.39 -4.61 114.94 126.16 2qpv s ASN 92 Ca 0.55 -2.30 0.00 0.00 0.21 0.00 0.00 52.86 51.32 2qpv s ASN 92 Cb -0.46 -0.60 0.00 0.00 -0.55 0.00 0.00 41.25 39.64 2qpv s ASN 92 CO 0.59 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 175.21 2qpv n GLY 93 N 3.93 3.48 0.15 1.21 0.00 -1.26 -1.30 105.19 111.40 2qpv n GLY 93 Ca 0.10 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2qpv n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qpv n SER 94 N 4.35 0.47 0.00 1.61 3.41 -1.26 -4.84 113.62 117.36 2qpv n SER 94 Ca 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2qpv n SER 94 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2qpv n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpv n GLY 95 N 0.98 5.62 2.86 5.00 0.00 -0.42 -3.81 105.19 115.43 2qpv n GLY 95 Ca 0.19 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2qpv n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qpv s THR 96 N 1.77 -0.01 -0.18 2.61 2.01 -0.27 -0.46 115.64 121.12 2qpv s THR 96 Ca 0.00 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 2qpv s THR 96 Cb 0.00 -0.02 -0.04 0.00 0.01 0.00 0.00 72.50 72.44 2qpv s THR 96 CO 0.00 0.01 0.06 -0.70 -0.69 0.00 0.00 174.62 173.31 2qpv s GLU 97 N 0.15 3.93 -0.16 4.92 2.56 0.81 -0.56 118.70 130.35 2qpv s GLU 97 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.97 54.61 2qpv s GLU 97 Cb -0.02 -3.20 -0.01 0.00 2.00 0.00 0.00 34.13 32.90 2qpv s GLU 97 CO -0.00 0.31 -0.10 0.08 -0.56 0.00 0.00 175.26 174.99 2qpv s VAL 98 N 0.26 3.12 0.01 3.70 1.01 0.15 -1.15 120.40 127.50 2qpv s VAL 98 Ca 0.04 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2qpv s VAL 98 Cb -0.12 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2qpv s VAL 98 CO 0.00 0.49 -0.07 -0.94 0.00 0.00 0.00 175.10 174.59 2qpv s SER 99 N 0.77 0.76 -0.09 3.32 1.04 -0.29 -1.42 113.70 117.78 2qpv s SER 99 Ca -0.04 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.12 2qpv s SER 99 Cb -0.15 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2qpv s SER 99 CO 0.01 -0.03 -0.12 0.12 0.98 0.00 0.00 173.24 174.20 2qpv s PHE 100 N -0.61 1.65 -0.57 5.02 5.36 0.10 -1.42 117.98 127.51 2qpv s PHE 100 Ca -0.02 -0.74 -0.20 0.00 -0.96 0.00 0.00 56.93 55.01 2qpv s PHE 100 Cb -0.05 -1.24 0.08 0.00 -0.34 0.00 0.00 43.02 41.47 2qpv s PHE 100 CO 0.00 -0.42 0.74 0.99 -1.46 0.00 0.00 175.22 175.07 2qpv s THR 101 N 1.07 4.73 -0.31 0.12 2.01 0.88 -0.64 115.64 123.51 2qpv s THR 101 Ca -0.06 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.03 2qpv s THR 101 Cb -0.15 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.90 2qpv s THR 101 CO -0.02 -1.08 0.80 -0.22 -0.69 0.00 0.00 174.62 173.41 2qpv s LEU 102 N 2.96 4.08 -0.17 4.42 2.96 0.64 -4.04 118.68 129.52 2qpv s LEU 102 Ca 0.15 0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 54.67 2qpv s LEU 102 Cb -0.21 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 2qpv s LEU 102 CO 0.09 -0.63 0.07 -0.76 -1.32 0.00 0.00 176.35 173.80 2qpv s LEU 103 N 2.99 3.89 -0.43 -0.68 1.43 -1.26 -1.40 118.68 123.22 2qpv s LEU 103 Ca 0.33 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.30 2qpv s LEU 103 Cb -0.14 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.12 2qpv s LEU 103 CO 0.13 0.20 0.99 -0.60 0.23 0.00 0.00 176.35 177.30 2qpv s ARG 104 N 0.19 3.71 0.53 1.70 3.52 0.78 -5.01 118.95 124.38 2qpv s ARG 104 Ca 0.05 0.45 -0.19 0.00 -0.13 0.00 0.00 55.73 55.92 2qpv s ARG 104 Cb -0.12 -3.87 -0.06 0.00 -1.56 0.00 0.00 34.95 29.34 2qpv s ARG 104 CO 0.00 -1.16 1.07 -0.51 -0.81 0.00 0.00 175.30 173.89 2qpv s LEU 105 N 3.84 3.71 0.09 -0.88 1.43 -1.26 -4.27 118.68 121.33 2qpv s LEU 105 Ca 0.41 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 55.15 2qpv s LEU 105 Cb -0.10 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.46 2qpv s LEU 105 CO 0.25 -1.01 1.90 -1.61 0.23 0.00 0.00 176.35 176.11 2qpv s GLU 106 N -3.50 4.14 0.00 1.70 2.02 -1.26 -4.91 118.70 116.88 2qpv s GLU 106 Ca 0.67 2.62 0.00 0.00 0.02 0.00 0.00 54.97 58.28 2qpv s GLU 106 Cb -0.18 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.21 2qpv s GLU 106 CO 0.27 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 175.06 2qpv n GLY 107 N 4.38 -0.67 3.17 -1.39 0.00 -1.26 -5.29 105.19 104.13 2qpv n GLY 107 Ca 0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2qpv n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qpv s THR 109 N -0.18 0.12 0.32 2.61 -4.23 -1.26 -5.14 115.64 107.87 2qpv s THR 109 Ca 0.00 -1.77 0.09 0.00 -1.18 0.00 0.00 61.69 58.82 2qpv s THR 109 Cb 0.00 -1.90 0.32 0.00 1.34 0.00 0.00 72.50 72.26 2qpv s THR 109 CO 0.00 -0.53 1.77 0.44 -0.54 0.00 0.00 174.62 175.76 2qpv h ASP 110 N 2.85 0.71 1.27 3.99 5.19 -2.02 0.15 116.42 128.56 2qpv h ASP 110 Ca -0.34 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.07 2qpv h ASP 110 Cb 1.19 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 2qpv h ASP 110 CO 0.58 0.21 -0.46 -0.08 -3.12 0.00 0.00 179.24 176.37 2qpv h GLU 111 N 0.67 0.00 -0.03 3.56 4.81 -2.04 -0.86 114.58 120.68 2qpv h GLU 111 Ca 0.59 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.73 2qpv h GLU 111 Cb 1.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.43 2qpv h GLU 111 CO -0.38 0.46 -0.31 -0.44 -0.73 0.00 0.00 179.01 177.61 2qpv h ASP 112 N 0.00 0.33 -0.38 1.04 3.32 -1.49 -1.40 116.42 117.83 2qpv h ASP 112 Ca -0.00 -0.71 0.02 0.00 0.02 0.00 0.00 57.03 56.36 2qpv h ASP 112 Cb 1.22 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2qpv h ASP 112 CO 0.06 0.99 0.20 0.15 -1.72 0.00 0.00 179.24 178.92 2qpv h PHE 113 N -0.31 0.38 -0.43 4.55 3.57 -0.77 0.11 116.94 124.05 2qpv h PHE 113 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2qpv h PHE 113 Cb 1.01 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2qpv h PHE 113 CO 0.15 0.21 0.21 1.49 -2.23 0.00 0.00 178.31 178.14 2qpv h GLU 114 N 0.41 0.61 -0.54 1.11 4.57 -1.19 -1.27 114.58 118.28 2qpv h GLU 114 Ca 0.15 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2qpv h GLU 114 Cb 0.04 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2qpv h GLU 114 CO -0.09 0.52 0.16 0.37 -1.18 0.00 0.00 179.01 178.80 2qpv h GLN 115 N 0.55 0.81 0.07 1.92 5.75 -1.06 0.17 115.11 123.33 2qpv h GLN 115 Ca 0.15 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2qpv h GLN 115 Cb 0.11 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.53 2qpv h GLN 115 CO -0.02 0.71 -0.04 0.22 -2.65 0.00 0.00 178.83 177.05 2qpv h ASP 116 N 0.79 -0.08 -0.95 -0.69 1.82 -0.69 -1.37 116.42 115.24 2qpv h ASP 116 Ca 0.18 -0.16 0.06 0.00 -0.39 0.00 0.00 57.03 56.72 2qpv h ASP 116 Cb 0.24 0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.21 2qpv h ASP 116 CO -0.01 0.11 0.61 0.00 -1.61 0.00 0.00 179.24 178.34 2qpv h ALA 117 N 0.63 1.30 -0.59 -0.78 0.00 -0.96 -1.15 119.26 117.71 2qpv h ALA 117 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2qpv h ALA 117 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2qpv h ALA 117 CO 0.02 0.42 0.19 1.03 0.00 0.00 0.00 179.25 180.90 2qpv h SER 118 N 1.13 0.82 0.65 0.00 0.87 -0.78 -1.36 113.55 114.87 2qpv h SER 118 Ca 0.40 -0.13 -0.23 0.00 -1.23 0.00 0.00 61.79 60.60 2qpv h SER 118 Cb 0.12 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2qpv h SER 118 CO -0.16 0.77 -1.04 0.00 -0.53 0.00 0.00 176.83 175.87 2qpv h ALA 119 N 1.34 0.31 -0.09 6.23 0.00 -0.68 -2.82 119.26 123.56 2qpv h ALA 119 Ca 0.20 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2qpv h ALA 119 Cb 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qpv h ALA 119 CO -0.01 0.98 0.00 0.82 0.00 0.00 0.00 179.25 181.05 2qpv h ILE 120 N 0.09 1.24 -0.71 0.00 2.04 -1.04 -2.48 117.51 116.65 2qpv h ILE 120 Ca -0.08 -0.76 0.15 0.00 1.00 0.00 0.00 64.86 65.18 2qpv h ILE 120 Cb 1.74 1.58 -0.13 0.00 -0.74 0.00 0.00 36.82 39.26 2qpv h ILE 120 CO 0.16 0.21 -0.12 0.74 0.00 0.00 0.00 178.15 179.15 2qpv h THR 121 N -0.12 0.32 0.00 -0.27 2.02 -1.28 -0.99 112.91 112.59 2qpv h THR 121 Ca 0.03 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 2qpv h THR 121 Cb 0.33 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2qpv h THR 121 CO 0.00 0.01 -0.35 0.00 0.37 0.00 0.00 175.52 175.55 2qpv h ALA 122 N 1.69 1.17 -0.32 6.16 0.00 -1.39 0.48 119.26 127.05 2qpv h ALA 122 Ca 0.36 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2qpv h ALA 122 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2qpv h ALA 122 CO -0.70 0.44 -0.30 -0.44 0.00 0.00 0.00 179.25 178.25 2qpv h ASP 123 N 0.00 0.82 -0.08 0.00 3.32 -0.77 -3.20 116.42 116.52 2qpv h ASP 123 Ca -0.00 -0.47 -0.17 0.00 0.02 0.00 0.00 57.03 56.42 2qpv h ASP 123 Cb 0.74 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2qpv h ASP 123 CO 0.05 1.12 -0.53 -0.07 -1.72 0.00 0.00 179.24 178.08 2qpv h LEU 124 N 0.54 0.73 -1.63 1.55 3.38 -0.86 -1.85 115.31 117.15 2qpv h LEU 124 Ca 0.05 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2qpv h LEU 124 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2qpv h LEU 124 CO 0.08 1.12 0.00 -0.62 0.09 0.00 0.00 178.44 179.10 2qpv n GLU 125 N -3.98 0.26 0.00 1.13 1.02 0.13 -1.63 120.64 117.57 2qpv n GLU 125 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2qpv n GLU 125 Cb 0.60 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 2qpv n GLU 125 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2qpv n LEU 127 N 0.69 0.00 -0.03 -4.62 7.94 -0.70 -2.47 117.00 117.81 2qpv n LEU 127 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 2qpv n LEU 127 Cb 0.11 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 2qpv n LEU 127 CO 0.00 0.00 0.43 0.50 -1.11 0.00 0.00 177.39 177.21 2qpv h LYS 128 N 0.00 0.40 -0.57 1.96 3.64 -1.58 -2.28 116.57 118.13 2qpv h LYS 128 Ca 0.00 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 2qpv h LYS 128 Cb 0.00 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2qpv h LYS 128 CO 0.00 0.94 0.16 0.77 -2.27 0.00 0.00 179.45 179.04 2qpv h SER 129 N -0.06 0.85 -0.39 4.20 0.02 -1.77 -1.52 113.55 114.88 2qpv h SER 129 Ca -0.02 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2qpv h SER 129 Cb 0.99 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2qpv h SER 129 CO 0.07 0.85 0.21 0.25 -1.14 0.00 0.00 176.83 177.07 2qpv h LEU 130 N 0.81 0.50 -0.53 5.07 5.85 -1.86 -1.88 115.31 123.26 2qpv h LEU 130 Ca 0.18 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 2qpv h LEU 130 Cb 0.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2qpv h LEU 130 CO -0.00 0.46 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.77 2qpv h LEU 131 N 0.50 0.15 0.00 2.25 3.38 -1.29 -3.29 115.31 117.01 2qpv h LEU 131 Ca 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qpv h LEU 131 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qpv h LEU 131 CO -0.02 0.82 -0.62 -0.33 0.09 0.00 0.00 178.44 178.37 2qpv h GLU 132 N 0.08 0.00 0.00 1.13 5.08 -1.17 -3.48 114.58 116.23 2qpv h GLU 132 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2qpv h GLU 132 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qpv h GLU 132 CO 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.11