#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp1 s LYS 2 N 0.00 0.59 -0.34 0.00 0.00 -1.26 -5.13 119.74 113.60 2qp1 s LYS 2 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 55.97 57.16 2qp1 s LYS 2 Cb 0.00 0.19 0.19 0.00 0.00 0.00 0.00 37.83 38.21 2qp1 s LYS 2 CO 0.00 -0.16 0.58 0.15 0.00 0.00 0.00 175.35 175.91 2qp1 s LYS 3 N 1.78 0.66 -0.01 1.78 3.01 -1.26 -5.15 119.74 120.55 2qp1 s LYS 3 Ca -0.09 0.11 -0.09 0.00 -1.01 0.00 0.00 55.97 54.89 2qp1 s LYS 3 Cb -0.07 0.09 0.01 0.00 -1.01 0.00 0.00 37.83 36.84 2qp1 s LYS 3 CO -0.17 -1.11 0.18 0.54 0.51 0.00 0.00 175.35 175.29 2qp1 s VAL 4 N 2.33 0.07 0.63 3.17 0.11 -1.26 -5.17 120.40 120.28 2qp1 s VAL 4 Ca 0.13 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.43 2qp1 s VAL 4 Cb -0.08 -0.46 -0.12 0.00 -1.53 0.00 0.00 36.38 34.19 2qp1 s VAL 4 CO -0.17 -0.32 -0.90 0.00 -3.33 0.00 0.00 175.10 170.37 2qp1 n GLN 5 N 1.54 0.00 0.00 1.54 10.64 -1.26 -4.93 117.38 124.91 2qp1 n GLN 5 Ca -0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 2qp1 n GLN 5 Cb 0.56 -0.63 0.00 0.00 -0.86 0.00 0.00 30.24 29.31 2qp1 n GLN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qp1 n ALA 6 N -2.08 -1.08 -2.93 2.61 0.00 -1.26 -5.02 120.51 110.74 2qp1 n ALA 6 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2qp1 n ALA 6 Cb 0.45 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.65 2qp1 n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qp1 n TYR 7 N 0.69 -3.26 -2.75 0.00 4.19 -1.26 -5.00 117.16 109.77 2qp1 n TYR 7 Ca 0.00 1.37 -0.25 0.00 3.31 0.00 0.00 57.90 62.33 2qp1 n TYR 7 Cb 0.00 -3.51 0.02 0.00 0.49 0.00 0.00 39.34 36.34 2qp1 n TYR 7 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2qp1 s VAL 8 N -2.04 4.04 -0.04 2.97 -7.23 0.15 -4.96 120.40 113.29 2qp1 s VAL 8 Ca 0.18 -0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2qp1 s VAL 8 Cb -0.04 -3.53 0.02 0.00 0.56 0.00 0.00 36.38 33.39 2qp1 s VAL 8 CO 0.73 -0.45 0.10 -0.54 -0.31 0.00 0.00 175.10 174.62 2qp1 s LYS 9 N -4.72 0.08 0.08 4.82 1.02 -1.26 -1.24 119.74 118.51 2qp1 s LYS 9 Ca 0.50 0.21 -0.20 0.00 0.02 0.00 0.00 55.97 56.50 2qp1 s LYS 9 Cb -0.10 -0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.19 2qp1 s LYS 9 CO 0.41 -0.08 0.47 -0.48 -0.92 0.00 0.00 175.35 174.75 2qp1 s LEU 10 N 0.56 0.11 -0.47 3.17 0.05 -0.68 -5.01 118.68 116.41 2qp1 s LEU 10 Ca -0.04 -0.01 -0.04 0.00 0.05 0.00 0.00 54.13 54.09 2qp1 s LEU 10 Cb -0.06 2.01 0.12 0.00 -2.05 0.00 0.00 46.19 46.21 2qp1 s LEU 10 CO -0.02 -0.76 0.29 -1.10 -0.55 0.00 0.00 176.35 174.20 2qp1 s GLN 11 N -2.92 2.24 0.10 1.48 -0.21 -1.26 -0.46 119.66 118.62 2qp1 s GLN 11 Ca -0.03 -1.97 0.06 0.00 0.02 0.00 0.00 55.36 53.45 2qp1 s GLN 11 Cb -0.00 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 2qp1 s GLN 11 CO -0.06 -1.12 -0.04 0.54 -2.12 0.00 0.00 175.29 172.49 2qp1 s VAL 12 N 0.92 3.73 1.06 1.09 0.11 -1.22 -4.92 120.40 121.17 2qp1 s VAL 12 Ca 0.10 -1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 57.87 2qp1 s VAL 12 Cb -0.23 -2.76 0.08 0.00 -1.53 0.00 0.00 36.38 31.93 2qp1 s VAL 12 CO -0.03 0.12 0.11 0.00 -3.33 0.00 0.00 175.10 171.96 2qp1 n ALA 13 N 0.64 -3.67 -0.85 1.54 0.00 -1.26 -2.86 120.51 114.04 2qp1 n ALA 13 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2qp1 n ALA 13 Cb 0.52 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qp1 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp1 n ALA 14 N -4.11 -0.06 -2.97 0.00 0.00 -1.21 -4.25 120.51 107.91 2qp1 n ALA 14 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2qp1 n ALA 14 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.05 2qp1 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qp1 n GLY 15 N -0.20 5.10 3.65 0.00 0.00 -1.26 -4.57 105.19 107.91 2qp1 n GLY 15 Ca 0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 46.02 43.39 2qp1 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qp1 s MET 16 N -2.50 0.14 0.01 1.61 -2.45 -1.26 -5.03 119.30 109.82 2qp1 s MET 16 Ca 0.32 0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 54.69 2qp1 s MET 16 Cb 0.04 0.04 0.10 0.00 1.25 0.00 0.00 34.83 36.27 2qp1 s MET 16 CO 0.09 -0.03 1.12 0.00 1.05 0.00 0.00 175.02 177.26 2qp1 s ALA 17 N 0.80 -1.98 0.00 4.11 0.00 -1.26 -4.35 121.76 119.08 2qp1 s ALA 17 Ca -0.04 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2qp1 s ALA 17 Cb -0.03 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.47 2qp1 s ALA 17 CO -0.12 -0.93 0.00 -1.71 0.00 0.00 0.00 175.76 173.00 2qp1 n ASN 18 N -0.39 0.00 -4.50 0.00 2.85 -1.26 -4.97 115.26 106.99 2qp1 n ASN 18 Ca -0.06 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 53.97 2qp1 n ASN 18 Cb 0.61 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.62 2qp1 n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qp1 n PRO 19 N 0.00 0.77 0.26 1.20 -0.02 -1.26 -4.22 135.00 131.73 2qp1 n PRO 19 Ca 0.00 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 2qp1 n PRO 19 Cb 0.00 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 2qp1 n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qp1 h SER 20 N 1.30 -0.58 0.14 2.55 0.87 -1.97 -0.78 113.55 115.08 2qp1 h SER 20 Ca -0.38 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.14 2qp1 h SER 20 Cb 1.38 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 2qp1 h SER 20 CO 0.56 -0.22 -0.31 -0.65 -0.53 0.00 0.00 176.83 175.69 2qp1 h PRO 21 N -1.01 -0.53 0.59 2.24 0.11 -1.99 -3.21 132.00 128.21 2qp1 h PRO 21 Ca -0.07 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2qp1 h PRO 21 Cb 0.61 0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.85 2qp1 h PRO 21 CO 0.12 -0.35 -0.28 -1.35 -0.21 0.00 0.00 178.00 175.92 2qp1 h PRO 22 N -0.55 -0.76 0.00 1.05 0.11 -1.96 -3.46 132.00 126.44 2qp1 h PRO 22 Ca 0.02 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2qp1 h PRO 22 Cb 0.56 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2qp1 h PRO 22 CO -0.17 -0.46 0.00 0.28 -0.21 0.00 0.00 178.00 177.44 2qp1 n VAL 23 N -5.38 0.00 0.00 3.15 0.31 -0.35 -4.80 118.33 111.27 2qp1 n VAL 23 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2qp1 n VAL 23 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 2qp1 n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qp1 n GLY 24 N 5.00 1.94 0.53 2.92 0.00 -0.89 -1.50 105.19 113.19 2qp1 n GLY 24 Ca 0.00 0.51 0.38 0.00 0.00 0.00 0.00 46.02 46.91 2qp1 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qp1 h PRO 25 N 0.00 0.09 -0.18 1.61 0.11 -1.87 0.12 132.00 131.88 2qp1 h PRO 25 Ca 0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.12 2qp1 h PRO 25 Cb 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 2qp1 h PRO 25 CO 0.00 0.06 -0.20 0.00 -0.21 0.00 0.00 178.00 177.65 2qp1 h ALA 26 N 1.42 -0.42 0.00 -0.75 0.00 -1.51 -2.69 119.26 115.31 2qp1 h ALA 26 Ca 0.74 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2qp1 h ALA 26 Cb 2.60 0.91 0.00 0.00 0.00 0.00 0.00 17.79 21.30 2qp1 h ALA 26 CO -0.20 -0.52 -1.01 1.47 0.00 0.00 0.00 179.25 178.99 2qp1 n LEU 27 N -3.68 0.62 0.04 0.00 -0.00 -1.05 -4.14 117.00 108.79 2qp1 n LEU 27 Ca -0.01 -0.01 0.14 0.00 -0.00 0.00 0.00 56.01 56.13 2qp1 n LEU 27 Cb 0.12 -0.10 0.61 0.00 -0.00 0.00 0.00 43.42 44.05 2qp1 n LEU 27 CO -0.01 0.04 1.16 1.23 -0.00 0.00 0.00 177.39 179.81 2qp1 h GLY 28 N 4.54 0.19 0.97 1.47 0.00 -0.49 -1.13 103.07 108.62 2qp1 h GLY 28 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2qp1 h GLY 28 CO 0.00 0.04 0.24 1.46 0.00 0.00 0.00 176.54 178.27 2qp1 h GLN 29 N 0.14 0.61 -0.01 4.80 4.20 -1.64 -1.95 115.11 121.26 2qp1 h GLN 29 Ca 0.19 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2qp1 h GLN 29 Cb 0.58 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 2qp1 h GLN 29 CO -0.02 0.49 0.01 1.96 -0.67 0.00 0.00 178.83 180.59 2qp1 h GLN 30 N 0.57 0.00 0.00 1.46 1.08 -1.46 -3.45 115.11 113.31 2qp1 h GLN 30 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2qp1 h GLN 30 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2qp1 h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qp1 n GLY 31 N -1.41 1.73 3.83 3.46 0.00 -0.73 -5.04 105.19 107.02 2qp1 n GLY 31 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2qp1 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qp1 s VAL 32 N -2.00 4.38 -0.74 1.61 1.01 -1.16 -4.83 120.40 118.66 2qp1 s VAL 32 Ca 0.00 1.31 -0.20 0.00 0.00 0.00 0.00 61.98 63.09 2qp1 s VAL 32 Cb 0.00 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.85 2qp1 s VAL 32 CO 0.00 -0.49 0.95 0.20 0.00 0.00 0.00 175.10 175.76 2qp1 s ASN 33 N -2.60 6.35 0.09 3.32 0.02 -1.26 -4.67 114.94 116.20 2qp1 s ASN 33 Ca 0.61 -1.52 -0.20 0.00 -1.02 0.00 0.00 52.86 50.73 2qp1 s ASN 33 Cb -0.10 -2.38 -0.06 0.00 0.02 0.00 0.00 41.25 38.73 2qp1 s ASN 33 CO 0.23 -1.21 1.34 0.40 0.02 0.00 0.00 177.10 177.89 2qp1 h ILE 34 N 5.87 0.00 -0.63 0.60 1.08 -1.94 -2.33 117.51 120.16 2qp1 h ILE 34 Ca -0.12 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.44 2qp1 h ILE 34 Cb 1.06 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.70 2qp1 h ILE 34 CO 1.12 0.00 -0.43 -0.03 -0.69 0.00 0.00 178.15 178.12 2qp1 h MET 35 N -0.19 -0.19 0.00 2.37 4.05 -1.97 -0.31 114.93 118.69 2qp1 h MET 35 Ca 0.06 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2qp1 h MET 35 Cb 0.35 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 2qp1 h MET 35 CO -0.43 -0.13 -0.39 1.49 0.23 0.00 0.00 176.91 177.68 2qp1 h GLU 36 N -0.20 -0.53 -0.70 0.39 4.81 -1.90 -2.43 114.58 114.02 2qp1 h GLU 36 Ca 0.19 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2qp1 h GLU 36 Cb 0.56 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 2qp1 h GLU 36 CO -0.72 -0.35 0.39 0.35 -0.73 0.00 0.00 179.01 177.95 2qp1 h PHE 37 N -0.55 0.71 -0.30 0.92 3.57 -0.91 0.23 116.94 120.61 2qp1 h PHE 37 Ca 0.05 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2qp1 h PHE 37 Cb 0.63 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 2qp1 h PHE 37 CO -0.40 0.34 -0.44 0.00 -2.23 0.00 0.00 178.31 175.58 2qp1 h LYS 39 N -0.40 0.72 -0.03 0.00 1.79 -1.25 -2.69 116.57 114.71 2qp1 h LYS 39 Ca 0.11 -0.49 0.02 0.00 -2.18 0.00 0.00 60.65 58.11 2qp1 h LYS 39 Cb 0.60 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2qp1 h LYS 39 CO -0.51 1.11 -0.09 0.00 -1.08 0.00 0.00 179.45 178.89 2qp1 h ALA 40 N 0.60 -0.07 0.40 3.86 0.00 -0.02 -0.19 119.26 123.84 2qp1 h ALA 40 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qp1 h ALA 40 Cb 1.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qp1 h ALA 40 CO 0.11 -0.57 -0.19 0.35 0.00 0.00 0.00 179.25 178.95 2qp1 h PHE 41 N -0.14 -0.50 0.00 0.00 3.57 0.49 -2.74 116.94 117.63 2qp1 h PHE 41 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qp1 h PHE 41 Cb 0.20 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2qp1 h PHE 41 CO -0.17 -0.31 0.29 -0.91 -2.23 0.00 0.00 178.31 174.98 2qp1 h ASN 42 N -0.55 0.00 0.19 0.41 2.35 -1.50 -1.31 115.58 115.16 2qp1 h ASN 42 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2qp1 h ASN 42 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2qp1 h ASN 42 CO 0.09 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 175.78 2qp1 h ALA 43 N 1.29 -0.25 0.00 -0.83 0.00 -0.70 -3.12 119.26 115.65 2qp1 h ALA 43 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2qp1 h ALA 43 Cb 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qp1 h ALA 43 CO 0.00 -0.49 -0.42 0.87 0.00 0.00 0.00 179.25 179.21 2qp1 h LYS 44 N -0.56 0.00 0.00 0.00 1.57 -1.29 -3.22 116.57 113.07 2qp1 h LYS 44 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2qp1 h LYS 44 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2qp1 h LYS 44 CO 0.04 0.29 0.00 1.79 -0.57 0.00 0.00 179.45 181.00 2qp1 h THR 45 N 0.00 0.00 -0.42 -0.16 1.35 -1.34 -2.01 112.91 110.32 2qp1 h THR 45 Ca -0.01 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.63 2qp1 h THR 45 Cb 1.25 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 2qp1 h THR 45 CO 0.04 0.00 0.09 0.44 -0.25 0.00 0.00 175.52 175.84 2qp1 h ASP 46 N 0.00 0.65 -0.22 5.36 3.32 -1.55 -3.03 116.42 120.95 2qp1 h ASP 46 Ca 0.00 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 2qp1 h ASP 46 Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2qp1 h ASP 46 CO 0.00 0.72 -0.12 0.28 -1.72 0.00 0.00 179.24 178.40 2qp1 h SER 47 N 0.55 0.48 -4.28 6.45 0.02 -1.59 -3.44 113.55 111.76 2qp1 h SER 47 Ca 0.13 -0.42 -0.51 0.00 -0.84 0.00 0.00 61.79 60.15 2qp1 h SER 47 Cb 0.33 -0.13 0.13 0.00 0.14 0.00 0.00 62.40 62.87 2qp1 h SER 47 CO 0.00 0.80 0.31 -0.51 -1.14 0.00 0.00 176.83 176.29 2qp1 s ILE 48 N -4.55 3.25 -0.38 3.27 2.07 -1.07 -4.85 121.20 118.94 2qp1 s ILE 48 Ca -0.14 0.40 -0.42 0.00 -1.41 0.00 0.00 60.65 59.09 2qp1 s ILE 48 Cb 0.07 -2.91 -0.17 0.00 0.13 0.00 0.00 42.46 39.59 2qp1 s ILE 48 CO 0.77 -0.53 1.85 -0.62 -1.91 0.00 0.00 174.94 174.50 2qp1 n GLU 49 N -3.56 0.66 -2.92 3.50 -0.58 -1.26 -4.87 120.64 111.60 2qp1 n GLU 49 Ca 0.09 0.22 -0.37 0.00 -0.42 0.00 0.00 57.16 56.68 2qp1 n GLU 49 Cb 0.53 -1.91 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 2qp1 n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2qp1 s LYS 50 N 4.29 4.51 0.00 3.49 1.02 -1.26 -3.62 119.74 128.17 2qp1 s LYS 50 Ca 1.06 1.17 0.00 0.00 0.02 0.00 0.00 55.97 58.22 2qp1 s LYS 50 Cb -1.22 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 2qp1 s LYS 50 CO 0.67 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.91 2qp1 n GLY 51 N 0.92 1.29 3.48 -3.33 0.00 -1.26 -5.02 105.19 101.26 2qp1 n GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2qp1 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qp1 s LEU 52 N 0.00 3.34 -0.30 0.99 1.43 -1.24 -4.85 118.68 118.06 2qp1 s LEU 52 Ca 0.00 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 2qp1 s LEU 52 Cb 0.00 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2qp1 s LEU 52 CO 0.00 0.08 1.95 -2.16 0.23 0.00 0.00 176.35 176.46 2qp1 s PRO 53 N 0.89 3.23 -0.19 1.29 0.04 -1.26 -3.29 135.00 135.71 2qp1 s PRO 53 Ca 0.01 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2qp1 s PRO 53 Cb -0.14 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 2qp1 s PRO 53 CO 0.02 -1.99 -0.03 -1.50 0.04 0.00 0.00 177.00 173.54 2qp1 s ILE 54 N 7.52 3.72 -0.19 0.56 -1.16 -1.13 -4.20 121.20 126.32 2qp1 s ILE 54 Ca 0.87 -0.40 -0.29 0.00 -0.51 0.00 0.00 60.65 60.32 2qp1 s ILE 54 Cb -0.26 -2.67 -0.01 0.00 0.61 0.00 0.00 42.46 40.14 2qp1 s ILE 54 CO 0.34 0.44 1.23 -2.16 -2.81 0.00 0.00 174.94 171.98 2qp1 s PRO 55 N 0.97 4.20 -0.01 3.50 0.04 -1.26 -3.43 135.00 139.01 2qp1 s PRO 55 Ca 0.01 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.65 2qp1 s PRO 55 Cb -0.14 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 2qp1 s PRO 55 CO 0.01 -0.74 -0.11 0.54 0.04 0.00 0.00 177.00 176.74 2qp1 s VAL 56 N 3.55 3.31 -0.26 -0.36 0.11 0.39 -3.59 120.40 123.56 2qp1 s VAL 56 Ca 0.53 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2qp1 s VAL 56 Cb -0.20 -2.38 0.01 0.00 -1.53 0.00 0.00 36.38 32.28 2qp1 s VAL 56 CO 0.14 0.47 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.68 2qp1 s VAL 57 N -0.88 3.37 -0.13 2.04 1.01 -1.23 -1.69 120.40 122.88 2qp1 s VAL 57 Ca 0.14 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 2qp1 s VAL 57 Cb -0.11 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2qp1 s VAL 57 CO 0.04 0.21 0.20 -0.63 0.00 0.00 0.00 175.10 174.93 2qp1 s ILE 58 N 1.42 5.38 -0.20 2.22 1.01 -0.37 -2.94 121.20 127.72 2qp1 s ILE 58 Ca 0.02 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2qp1 s ILE 58 Cb -0.16 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.84 2qp1 s ILE 58 CO -0.02 0.52 -0.12 0.28 0.00 0.00 0.00 174.94 175.61 2qp1 s THR 59 N -0.38 1.75 0.13 2.92 -1.32 -0.33 -0.67 115.64 117.74 2qp1 s THR 59 Ca 0.15 -1.05 -0.08 0.00 -1.21 0.00 0.00 61.69 59.49 2qp1 s THR 59 Cb -0.13 -1.79 -0.06 0.00 -1.51 0.00 0.00 72.50 69.02 2qp1 s THR 59 CO 0.04 0.21 0.42 -0.69 -2.21 0.00 0.00 174.62 172.39 2qp1 s VAL 60 N 1.35 5.09 0.56 5.08 1.01 -1.26 -2.40 120.40 129.83 2qp1 s VAL 60 Ca -0.01 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2qp1 s VAL 60 Cb -0.16 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2qp1 s VAL 60 CO -0.09 0.14 0.42 -0.31 0.00 0.00 0.00 175.10 175.26 2qp1 s TYR 61 N -1.56 1.53 0.47 5.22 2.02 -0.87 -4.72 117.35 119.43 2qp1 s TYR 61 Ca 0.38 -0.87 0.21 0.00 -0.37 0.00 0.00 57.07 56.42 2qp1 s TYR 61 Cb -0.13 -1.90 1.29 0.00 -0.40 0.00 0.00 41.96 40.82 2qp1 s TYR 61 CO 0.21 -0.53 2.07 0.00 -1.57 0.00 0.00 175.55 175.73 2qp1 h ALA 62 N 0.70 1.58 0.00 3.71 0.00 -1.99 0.20 119.26 123.46 2qp1 h ALA 62 Ca -0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qp1 h ALA 62 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qp1 h ALA 62 CO 0.56 0.15 0.00 -3.47 0.00 0.00 0.00 179.25 176.49 2qp1 n ASP 63 N -4.07 0.00 0.00 0.00 -0.08 -1.26 -4.80 116.55 106.33 2qp1 n ASP 63 Ca -0.02 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2qp1 n ASP 63 Cb 0.20 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.28 2qp1 n ASP 63 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2qp1 n ARG 64 N -1.38 0.00 -0.89 -0.67 1.74 0.71 -4.98 116.66 111.19 2qp1 n ARG 64 Ca 0.05 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.94 2qp1 n ARG 64 Cb 0.12 -2.53 0.14 0.00 -1.02 0.00 0.00 32.46 29.17 2qp1 n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qp1 n SER 65 N 0.00 -0.84 -3.53 0.55 2.88 -1.26 -4.59 113.62 106.83 2qp1 n SER 65 Ca 0.00 -1.09 -0.08 0.00 -1.33 0.00 0.00 58.87 56.37 2qp1 n SER 65 Cb 0.00 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 62.82 2qp1 n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qp1 s PHE 66 N -2.49 -0.31 0.07 0.66 -0.71 -1.26 -2.06 117.98 111.88 2qp1 s PHE 66 Ca 0.45 0.17 0.02 0.00 -1.04 0.00 0.00 56.93 56.53 2qp1 s PHE 66 Cb -0.03 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2qp1 s PHE 66 CO 0.33 -0.53 -0.07 0.95 -1.34 0.00 0.00 175.22 174.55 2qp1 s THR 67 N -3.07 0.66 -0.04 -4.49 -4.23 -1.01 -4.97 115.64 98.50 2qp1 s THR 67 Ca 0.06 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2qp1 s THR 67 Cb -0.01 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.64 2qp1 s THR 67 CO -0.08 -0.63 0.18 0.72 -0.54 0.00 0.00 174.62 174.26 2qp1 s PHE 68 N -2.56 -0.10 -0.28 3.99 -0.71 -1.26 -1.19 117.98 115.88 2qp1 s PHE 68 Ca 0.02 0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 56.08 2qp1 s PHE 68 Cb -0.02 0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 2qp1 s PHE 68 CO -0.02 -0.20 0.01 0.14 -1.34 0.00 0.00 175.22 173.81 2qp1 s VAL 69 N -0.65 3.43 -0.37 -2.49 -7.23 -1.15 -4.97 120.40 106.98 2qp1 s VAL 69 Ca -0.07 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 2qp1 s VAL 69 Cb -0.04 -2.77 0.02 0.00 0.56 0.00 0.00 36.38 34.14 2qp1 s VAL 69 CO 0.01 0.11 1.00 0.28 -0.31 0.00 0.00 175.10 176.20 2qp1 s THR 70 N 1.41 4.51 0.00 5.32 -1.32 -1.26 -3.58 115.64 120.72 2qp1 s THR 70 Ca 0.01 1.38 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 2qp1 s THR 70 Cb -0.17 -4.40 0.00 0.00 -1.51 0.00 0.00 72.50 66.42 2qp1 s THR 70 CO -0.01 -0.58 0.00 0.29 -2.21 0.00 0.00 174.62 172.12 2qp1 n LYS 71 N 6.94 3.70 -4.13 7.08 5.02 -1.24 -5.08 118.16 130.46 2qp1 n LYS 71 Ca 0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 2qp1 n LYS 71 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2qp1 n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2qp1 s THR 72 N 2.16 4.49 0.57 -0.18 -1.32 -1.26 -4.82 115.64 115.28 2qp1 s THR 72 Ca 0.00 -0.60 -0.20 0.00 -1.21 0.00 0.00 61.69 59.68 2qp1 s THR 72 Cb 0.00 -3.08 -0.06 0.00 -1.51 0.00 0.00 72.50 67.85 2qp1 s THR 72 CO 0.00 0.27 1.02 -0.81 -2.21 0.00 0.00 174.62 172.89 2qp1 n PRO 73 N 0.97 1.06 -1.46 7.08 -0.04 -1.26 -4.51 135.00 136.83 2qp1 n PRO 73 Ca -0.12 0.40 -0.39 0.00 -0.04 0.00 0.00 63.50 63.35 2qp1 n PRO 73 Cb 0.52 -2.21 0.02 0.00 -0.04 0.00 0.00 33.50 31.80 2qp1 n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2qp1 n PRO 74 N -0.87 0.54 -0.21 0.54 -0.02 -1.26 -4.75 135.00 128.97 2qp1 n PRO 74 Ca 0.13 0.20 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 2qp1 n PRO 74 Cb 0.46 -1.61 0.14 0.00 -0.02 0.00 0.00 33.50 32.46 2qp1 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qp1 h ALA 75 N 0.47 1.15 -0.20 3.55 0.00 -1.98 -1.44 119.26 120.81 2qp1 h ALA 75 Ca -0.44 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.31 2qp1 h ALA 75 Cb 1.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2qp1 h ALA 75 CO 0.49 0.60 0.06 0.00 0.00 0.00 0.00 179.25 180.40 2qp1 h ALA 76 N 1.27 0.22 -0.22 0.00 0.00 -1.92 0.21 119.26 118.82 2qp1 h ALA 76 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2qp1 h ALA 76 Cb 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qp1 h ALA 76 CO -0.01 -0.37 0.12 0.28 0.00 0.00 0.00 179.25 179.26 2qp1 h VAL 77 N 0.15 1.12 -0.78 0.00 2.07 -1.85 -1.84 116.25 115.12 2qp1 h VAL 77 Ca 0.09 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.36 2qp1 h VAL 77 Cb 0.07 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2qp1 h VAL 77 CO -0.10 0.12 0.51 -0.07 0.02 0.00 0.00 177.57 178.05 2qp1 h LEU 78 N 0.24 0.71 -0.61 2.57 3.38 -0.93 -1.15 115.31 119.52 2qp1 h LEU 78 Ca 0.08 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2qp1 h LEU 78 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qp1 h LEU 78 CO -0.01 0.45 -0.37 -0.07 0.09 0.00 0.00 178.44 178.53 2qp1 h LEU 79 N 0.80 0.72 -0.85 1.67 3.38 -0.55 -1.95 115.31 118.53 2qp1 h LEU 79 Ca 0.35 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2qp1 h LEU 79 Cb 0.31 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2qp1 h LEU 79 CO -0.13 1.02 0.50 0.11 0.09 0.00 0.00 178.44 180.04 2qp1 h LYS 80 N 0.57 1.15 0.22 1.13 1.57 -0.40 0.16 116.57 120.98 2qp1 h LYS 80 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2qp1 h LYS 80 Cb 0.89 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2qp1 h LYS 80 CO 0.08 0.82 -0.10 0.87 -0.57 0.00 0.00 179.45 180.54 2qp1 h LYS 81 N 1.17 -0.28 -0.75 3.15 1.57 -1.28 0.36 116.57 120.51 2qp1 h LYS 81 Ca 0.30 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.20 2qp1 h LYS 81 Cb -0.04 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 2qp1 h LYS 81 CO -0.06 0.05 0.39 0.00 -0.57 0.00 0.00 179.45 179.26 2qp1 h ALA 82 N 0.03 1.04 0.00 3.86 0.00 -1.19 0.17 119.26 123.17 2qp1 h ALA 82 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qp1 h ALA 82 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qp1 h ALA 82 CO 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2qp1 h ALA 83 N 1.44 1.00 -0.24 0.00 0.00 -0.64 -3.47 119.26 117.36 2qp1 h ALA 83 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2qp1 h ALA 83 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2qp1 h ALA 83 CO -0.26 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.30 2qp1 n GLY 84 N 0.73 0.76 4.01 0.00 0.00 0.93 -4.68 105.19 106.95 2qp1 n GLY 84 Ca 0.03 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 2qp1 n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qp1 s ILE 85 N -2.17 2.66 -0.16 -0.61 -4.36 0.64 -4.98 121.20 112.20 2qp1 s ILE 85 Ca 0.00 -0.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 2qp1 s ILE 85 Cb 0.00 -2.72 -0.11 0.00 1.25 0.00 0.00 42.46 40.88 2qp1 s ILE 85 CO 0.00 0.00 -0.14 0.29 0.24 0.00 0.00 174.94 175.33 2qp1 n LYS 86 N -2.08 0.46 -4.47 0.37 5.02 -1.26 -4.47 118.16 111.73 2qp1 n LYS 86 Ca 0.11 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.24 2qp1 n LYS 86 Cb 0.60 -1.33 -0.08 0.00 -0.02 0.00 0.00 35.03 34.20 2qp1 n LYS 86 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qp1 s SER 87 N -5.57 2.58 0.00 4.39 0.15 -1.26 -5.06 113.70 108.94 2qp1 s SER 87 Ca -0.22 -1.72 0.00 0.00 0.70 0.00 0.00 55.95 54.72 2qp1 s SER 87 Cb 0.06 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2qp1 s SER 87 CO 0.38 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2qp1 n GLY 88 N -0.87 -1.25 0.00 9.45 0.00 -1.26 -5.00 105.19 106.26 2qp1 n GLY 88 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2qp1 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qp1 n SER 89 N 0.00 0.83 0.00 1.61 3.41 -1.19 -4.80 113.62 113.48 2qp1 n SER 89 Ca 0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2qp1 n SER 89 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qp1 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qp1 n GLY 90 N -0.05 1.19 2.66 5.00 0.00 -1.26 -4.44 105.19 108.29 2qp1 n GLY 90 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2qp1 n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qp1 n LYS 91 N 0.00 2.49 -1.20 1.61 4.01 -1.26 -5.09 118.16 118.71 2qp1 n LYS 91 Ca 0.00 -4.60 -0.37 0.00 -0.51 0.00 0.00 58.31 52.83 2qp1 n LYS 91 Cb 0.00 -2.30 0.04 0.00 -0.51 0.00 0.00 35.03 32.26 2qp1 n LYS 91 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2qp1 n PRO 92 N 1.33 0.14 0.00 1.97 -0.02 -1.26 -2.18 135.00 134.97 2qp1 n PRO 92 Ca 0.26 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2qp1 n PRO 92 Cb 0.38 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 2qp1 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qp1 n ASN 93 N 1.39 0.00 -0.04 2.55 5.03 -1.26 -4.54 115.26 118.40 2qp1 n ASN 93 Ca 0.07 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.39 2qp1 n ASN 93 Cb 0.50 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.15 2qp1 n ASN 93 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2qp1 h LYS 94 N 0.00 -0.01 -4.26 3.52 3.64 -1.84 -3.44 116.57 114.18 2qp1 h LYS 94 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 2qp1 h LYS 94 Cb 0.00 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.46 2qp1 h LYS 94 CO 0.00 0.70 -0.80 0.34 -2.27 0.00 0.00 179.45 177.42 2qp1 s ASP 95 N -5.92 2.04 -0.06 4.20 2.15 -1.06 -5.12 116.67 112.90 2qp1 s ASP 95 Ca -0.17 -0.29 -0.21 0.00 0.43 0.00 0.00 52.55 52.31 2qp1 s ASP 95 Cb -0.01 -0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 41.76 2qp1 s ASP 95 CO 0.66 -0.09 0.60 -1.59 -0.17 0.00 0.00 175.17 174.59 2qp1 s LYS 96 N 1.50 4.37 -0.02 4.34 -2.85 -1.26 -4.64 119.74 121.19 2qp1 s LYS 96 Ca 0.01 0.71 0.21 0.00 -1.00 0.00 0.00 55.97 55.90 2qp1 s LYS 96 Cb -0.13 -3.41 -0.30 0.00 -2.06 0.00 0.00 37.83 31.93 2qp1 s LYS 96 CO -0.06 0.20 0.55 1.33 0.10 0.00 0.00 175.35 177.47 2qp1 n VAL 97 N 3.38 0.00 -3.83 1.79 0.24 -1.10 -5.04 118.33 113.78 2qp1 n VAL 97 Ca -0.05 -0.38 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 2qp1 n VAL 97 Cb 0.51 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2qp1 n VAL 97 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qp1 s GLY 98 N -4.08 0.19 0.02 7.63 0.00 -1.26 -4.98 107.32 104.84 2qp1 s GLY 98 Ca -0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 2qp1 s GLY 98 CO 0.87 -0.23 -0.02 -1.59 0.00 0.00 0.00 173.10 172.13 2qp1 s LYS 99 N -3.00 0.37 -0.02 2.90 0.00 -1.26 -1.96 119.74 116.77 2qp1 s LYS 99 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 55.97 55.40 2qp1 s LYS 99 Cb -0.05 0.13 0.02 0.00 0.00 0.00 0.00 37.83 37.93 2qp1 s LYS 99 CO 0.10 -0.06 -0.00 0.42 0.00 0.00 0.00 175.35 175.80 2qp1 s ILE 100 N -1.89 0.14 0.51 3.79 1.01 0.79 -4.44 121.20 121.10 2qp1 s ILE 100 Ca -0.12 0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.39 2qp1 s ILE 100 Cb -0.07 -0.21 -0.07 0.00 0.01 0.00 0.00 42.46 42.12 2qp1 s ILE 100 CO -0.03 0.11 1.14 -0.94 0.00 0.00 0.00 174.94 175.23 2qp1 s SER 101 N 0.77 5.92 0.59 3.58 1.04 -1.26 -2.67 113.70 121.68 2qp1 s SER 101 Ca -0.07 2.23 0.28 0.00 0.48 0.00 0.00 55.95 58.87 2qp1 s SER 101 Cb -0.11 -2.59 1.58 0.00 0.10 0.00 0.00 66.02 65.00 2qp1 s SER 101 CO -0.02 -1.08 2.02 0.03 0.98 0.00 0.00 173.24 175.17 2qp1 h ARG 102 N 1.56 0.00 -0.23 4.02 2.47 -1.74 -0.53 114.38 119.94 2qp1 h ARG 102 Ca -0.50 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.09 2qp1 h ARG 102 Cb 1.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2qp1 h ARG 102 CO 0.58 0.00 -0.38 0.00 0.56 0.00 0.00 179.97 180.73 2qp1 h ALA 103 N 1.65 0.36 -0.50 0.04 0.00 -1.89 -3.08 119.26 115.84 2qp1 h ALA 103 Ca 0.14 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2qp1 h ALA 103 Cb 0.76 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qp1 h ALA 103 CO -0.00 0.44 0.29 1.96 0.00 0.00 0.00 179.25 181.94 2qp1 h GLN 104 N 0.37 0.68 -0.95 0.00 4.20 -1.46 -2.31 115.11 115.63 2qp1 h GLN 104 Ca 0.02 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.75 2qp1 h GLN 104 Cb 0.98 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.55 2qp1 h GLN 104 CO 0.09 0.51 0.61 -0.07 -0.67 0.00 0.00 178.83 179.30 2qp1 h LEU 105 N 0.67 0.90 -1.02 1.46 3.38 -1.52 0.23 115.31 119.41 2qp1 h LEU 105 Ca 0.18 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2qp1 h LEU 105 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qp1 h LEU 105 CO -0.03 0.53 -0.03 1.56 0.09 0.00 0.00 178.44 180.56 2qp1 h GLN 106 N 1.00 0.67 -0.33 1.13 4.20 -1.35 0.43 115.11 120.87 2qp1 h GLN 106 Ca 0.44 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 2qp1 h GLN 106 Cb 0.36 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2qp1 h GLN 106 CO -0.20 0.71 -0.28 0.93 -0.67 0.00 0.00 178.83 179.32 2qp1 h GLU 107 N 0.62 0.76 -0.21 1.46 5.08 -0.35 -0.62 114.58 121.33 2qp1 h GLU 107 Ca 0.12 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2qp1 h GLU 107 Cb 0.44 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2qp1 h GLU 107 CO 0.02 1.01 -0.38 0.82 -1.00 0.00 0.00 179.01 179.48 2qp1 h ILE 108 N 0.53 1.30 0.00 3.13 2.04 -0.28 -1.72 117.51 122.52 2qp1 h ILE 108 Ca 0.06 -1.52 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 2qp1 h ILE 108 Cb 0.85 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2qp1 h ILE 108 CO 0.07 0.47 -0.43 0.00 0.00 0.00 0.00 178.15 178.26 2qp1 h ALA 109 N 1.18 1.21 0.00 1.87 0.00 0.01 -0.34 119.26 123.20 2qp1 h ALA 109 Ca 0.04 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2qp1 h ALA 109 Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2qp1 h ALA 109 CO 0.07 0.54 -0.68 0.37 0.00 0.00 0.00 179.25 179.55 2qp1 h GLN 110 N 0.00 0.00 0.17 0.00 5.75 -0.61 0.66 115.11 121.08 2qp1 h GLN 110 Ca -0.00 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.21 2qp1 h GLN 110 Cb 0.80 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.38 2qp1 h GLN 110 CO 0.06 0.68 -1.24 1.15 -2.65 0.00 0.00 178.83 176.83 2qp1 h THR 111 N 0.00 1.33 0.00 2.39 2.02 -0.79 -3.26 112.91 114.60 2qp1 h THR 111 Ca -0.01 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.63 2qp1 h THR 111 Cb 1.32 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 2qp1 h THR 111 CO 0.09 0.76 -0.16 0.29 0.37 0.00 0.00 175.52 176.87 2qp1 n LYS 112 N -3.84 0.25 -0.33 6.66 4.76 -0.19 -4.13 118.16 121.34 2qp1 n LYS 112 Ca -0.15 0.17 0.26 0.00 -2.87 0.00 0.00 58.31 55.72 2qp1 n LYS 112 Cb 0.99 -1.76 0.48 0.00 -1.84 0.00 0.00 35.03 32.90 2qp1 n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qp1 n ALA 113 N -1.78 0.83 -0.30 7.82 0.00 0.22 0.15 120.51 127.45 2qp1 n ALA 113 Ca 0.05 1.03 0.02 0.00 0.00 0.00 0.00 53.44 54.54 2qp1 n ALA 113 Cb 0.43 -0.93 0.22 0.00 0.00 0.00 0.00 19.45 19.17 2qp1 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp1 h ALA 114 N 1.98 1.46 -0.01 0.00 0.00 -1.81 -2.59 119.26 118.29 2qp1 h ALA 114 Ca 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2qp1 h ALA 114 Cb 1.87 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2qp1 h ALA 114 CO -0.82 0.43 -0.50 -0.25 0.00 0.00 0.00 179.25 178.10 2qp1 n ASP 115 N -4.46 1.82 -4.88 0.00 8.00 0.12 -4.95 116.55 112.20 2qp1 n ASP 115 Ca 0.13 -1.39 -0.33 0.00 0.71 0.00 0.00 54.79 53.90 2qp1 n ASP 115 Cb 0.14 0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.68 2qp1 n ASP 115 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qp1 s MET 116 N -2.53 3.70 0.00 -1.24 -1.94 -0.08 -4.99 119.30 112.21 2qp1 s MET 116 Ca 0.18 0.06 0.27 0.00 -1.71 0.00 0.00 55.69 54.50 2qp1 s MET 116 Cb 0.18 -2.90 0.94 0.00 2.01 0.00 0.00 34.83 35.06 2qp1 s MET 116 CO 0.60 0.50 1.68 -2.37 -0.01 0.00 0.00 175.02 175.42 2qp1 n THR 117 N 0.47 0.00 -1.64 2.05 5.66 -1.26 -4.88 114.28 114.68 2qp1 n THR 117 Ca -0.05 -0.09 -0.59 0.00 -3.05 0.00 0.00 64.05 60.27 2qp1 n THR 117 Cb 0.52 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 69.40 2qp1 n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qp1 n GLY 118 N 1.33 0.31 0.18 1.09 0.00 -1.26 -4.86 105.19 101.97 2qp1 n GLY 118 Ca 0.13 0.85 -0.14 0.00 0.00 0.00 0.00 46.02 46.86 2qp1 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qp1 h ALA 119 N 4.94 0.31 -1.93 4.61 0.00 -1.95 -3.46 119.26 121.78 2qp1 h ALA 119 Ca -0.47 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 53.48 2qp1 h ALA 119 Cb 1.36 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 2qp1 h ALA 119 CO 0.84 0.34 -0.63 0.16 0.00 0.00 0.00 179.25 179.96 2qp1 s ASP 120 N -6.48 3.10 0.40 0.00 1.47 -1.26 -5.04 116.67 108.86 2qp1 s ASP 120 Ca -0.13 -1.30 0.08 0.00 1.18 0.00 0.00 52.55 52.39 2qp1 s ASP 120 Cb 0.07 -0.23 0.87 0.00 -0.34 0.00 0.00 42.92 43.28 2qp1 s ASP 120 CO 0.81 -0.43 2.02 0.16 0.68 0.00 0.00 175.17 178.41 2qp1 h ILE 121 N 2.05 1.05 -0.20 2.11 -2.65 -2.00 -2.29 117.51 115.58 2qp1 h ILE 121 Ca -0.42 -0.20 0.02 0.00 1.03 0.00 0.00 64.86 65.29 2qp1 h ILE 121 Cb 1.24 0.42 -0.02 0.00 -2.05 0.00 0.00 36.82 36.41 2qp1 h ILE 121 CO 0.72 0.10 0.07 -0.33 0.03 0.00 0.00 178.15 178.75 2qp1 h GLU 122 N 0.57 0.16 0.23 0.16 3.07 -1.99 0.58 114.58 117.36 2qp1 h GLU 122 Ca 0.21 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2qp1 h GLU 122 Cb 0.13 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2qp1 h GLU 122 CO -0.06 0.10 -0.14 0.00 -1.40 0.00 0.00 179.01 177.52 2qp1 h ALA 123 N 1.12 -0.35 -0.78 3.43 0.00 -1.82 -1.18 119.26 119.68 2qp1 h ALA 123 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2qp1 h ALA 123 Cb 0.05 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2qp1 h ALA 123 CO -0.08 -0.70 0.49 0.52 0.00 0.00 0.00 179.25 179.47 2qp1 h MET 124 N -0.36 0.93 -0.47 0.00 2.86 -1.33 0.80 114.93 117.37 2qp1 h MET 124 Ca -0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2qp1 h MET 124 Cb 0.30 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2qp1 h MET 124 CO 0.02 0.62 0.28 1.15 1.06 0.00 0.00 176.91 180.04 2qp1 h THR 125 N 0.96 1.14 -0.36 2.22 2.02 -0.67 -2.62 112.91 115.60 2qp1 h THR 125 Ca 0.31 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2qp1 h THR 125 Cb 0.01 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2qp1 h THR 125 CO -0.11 0.14 -0.28 -0.09 0.37 0.00 0.00 175.52 175.55 2qp1 h ARG 126 N 0.62 0.76 -0.94 6.66 2.43 -0.78 -2.02 114.38 121.11 2qp1 h ARG 126 Ca 0.17 -0.33 0.17 0.00 -0.81 0.00 0.00 59.98 59.17 2qp1 h ARG 126 Cb -0.01 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 2qp1 h ARG 126 CO -0.03 0.95 0.60 0.77 -1.51 0.00 0.00 179.97 180.75 2qp1 h SER 127 N 0.65 0.66 0.76 -3.80 0.02 -0.49 0.98 113.55 112.34 2qp1 h SER 127 Ca 0.08 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.84 2qp1 h SER 127 Cb 0.80 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2qp1 h SER 127 CO 0.07 0.29 -1.20 0.40 -1.14 0.00 0.00 176.83 175.25 2qp1 h ILE 128 N 0.67 1.51 -0.61 3.27 2.04 -1.26 -3.23 117.51 119.91 2qp1 h ILE 128 Ca 0.50 -3.17 0.04 0.00 1.00 0.00 0.00 64.86 63.22 2qp1 h ILE 128 Cb 0.86 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 2qp1 h ILE 128 CO -0.25 0.89 0.40 -0.33 0.00 0.00 0.00 178.15 178.86 2qp1 h GLU 129 N 0.03 0.68 0.00 2.37 5.08 -0.13 0.26 114.58 122.87 2qp1 h GLU 129 Ca -0.10 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2qp1 h GLU 129 Cb 1.89 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 2qp1 h GLU 129 CO 0.16 0.45 -0.26 0.78 -1.00 0.00 0.00 179.01 179.14 2qp1 h GLY 130 N 0.70 0.00 1.63 -3.84 0.00 -1.17 -0.82 103.07 99.57 2qp1 h GLY 130 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.31 2qp1 h GLY 130 CO -0.07 0.00 -1.17 -0.91 0.00 0.00 0.00 176.54 174.40 2qp1 h THR 131 N 0.00 1.49 -0.20 4.70 1.35 -0.66 -3.04 112.91 116.55 2qp1 h THR 131 Ca -0.00 -2.94 -0.05 0.00 -0.55 0.00 0.00 66.41 62.87 2qp1 h THR 131 Cb 0.65 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 2qp1 h THR 131 CO 0.03 0.86 -0.06 0.00 -0.25 0.00 0.00 175.52 176.10 2qp1 h ALA 132 N 0.64 0.28 0.00 6.62 0.00 -0.38 -2.27 119.26 124.15 2qp1 h ALA 132 Ca -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2qp1 h ALA 132 Cb 1.88 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2qp1 h ALA 132 CO 0.19 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 2qp1 h ARG 133 N 0.11 0.00 0.00 0.00 3.08 -1.24 0.15 114.38 116.48 2qp1 h ARG 133 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qp1 h ARG 133 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2qp1 h ARG 133 CO 0.02 0.04 -0.37 0.43 -1.07 0.00 0.00 179.97 179.02 2qp1 n SER 134 N -3.50 0.58 -0.51 7.04 7.64 -0.99 -3.40 113.62 120.48 2qp1 n SER 134 Ca -0.02 0.21 0.10 0.00 1.01 0.00 0.00 58.87 60.16 2qp1 n SER 134 Cb 0.14 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 2qp1 n SER 134 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2qp1 n MET 135 N -1.94 1.53 -1.50 1.43 2.81 0.38 -4.73 117.12 115.11 2qp1 n MET 135 Ca 0.05 -1.07 -0.02 0.00 -1.81 0.00 0.00 57.70 54.85 2qp1 n MET 135 Cb 0.40 -1.38 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2qp1 n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qp1 n GLY 136 N 1.26 0.42 3.41 3.03 0.00 -0.60 -3.16 105.19 109.55 2qp1 n GLY 136 Ca 0.09 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2qp1 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qp1 s LEU 137 N -0.47 4.51 0.61 0.99 1.43 -0.34 -2.69 118.68 122.71 2qp1 s LEU 137 Ca 0.00 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 2qp1 s LEU 137 Cb 0.00 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2qp1 s LEU 137 CO 0.00 -0.31 1.04 -0.69 0.23 0.00 0.00 176.35 176.62 2qp1 s VAL 138 N 1.59 4.10 -0.15 -1.59 1.01 -0.83 -4.09 120.40 120.44 2qp1 s VAL 138 Ca 0.03 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 62.89 2qp1 s VAL 138 Cb -0.18 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2qp1 s VAL 138 CO 0.07 -0.70 -0.06 -0.69 0.00 0.00 0.00 175.10 173.71 2qp1 s VAL 139 N -2.72 1.09 -0.24 2.92 1.01 -1.26 -0.15 120.40 121.05 2qp1 s VAL 139 Ca 0.60 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 2qp1 s VAL 139 Cb -0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2qp1 s VAL 139 CO 0.42 0.19 0.12 -1.83 0.00 0.00 0.00 175.10 174.01 2qp1 s GLU 140 N 1.65 3.90 0.00 2.72 1.03 -1.09 -4.86 118.70 122.05 2qp1 s GLU 140 Ca 0.02 -0.36 0.28 0.00 0.03 0.00 0.00 54.97 54.95 2qp1 s GLU 140 Cb -0.15 -3.44 1.69 0.00 -0.80 0.00 0.00 34.13 31.43 2qp1 s GLU 140 CO -0.08 -0.03 2.03 -3.47 -1.33 0.00 0.00 175.26 172.38