#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpq s PRO 6 N 0.00 4.22 0.00 -7.13 0.04 -1.26 -5.08 135.00 125.80 2qpq s PRO 6 Ca 0.00 0.67 0.24 0.00 0.04 0.00 0.00 61.00 61.95 2qpq s PRO 6 Cb 0.00 -3.58 0.49 0.00 0.04 0.00 0.00 34.50 31.46 2qpq s PRO 6 CO 0.00 -0.25 1.43 0.27 0.04 0.00 0.00 177.00 178.49 2qpq n ASN 7 N 5.06 2.70 -3.88 6.66 2.04 -1.26 -4.67 115.26 121.90 2qpq n ASN 7 Ca -0.01 -1.87 -0.08 0.00 -0.44 0.00 0.00 54.58 52.18 2qpq n ASN 7 Cb 0.50 -0.10 -0.04 0.00 -2.53 0.00 0.00 39.78 37.61 2qpq n ASN 7 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 2qpq s LYS 8 N -1.80 1.61 0.60 -3.83 -2.85 -1.26 -5.11 119.74 107.10 2qpq s LYS 8 Ca 0.34 -1.05 -0.19 0.00 -1.00 0.00 0.00 55.97 54.06 2qpq s LYS 8 Cb 0.21 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 36.49 2qpq s LYS 8 CO 0.30 -0.71 1.25 -2.14 0.10 0.00 0.00 175.35 174.16 2qpq s PRO 9 N -3.94 2.88 0.50 1.78 0.02 -1.26 -4.83 135.00 130.15 2qpq s PRO 9 Ca 0.15 1.94 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 2qpq s PRO 9 Cb -0.03 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.54 2qpq s PRO 9 CO 0.06 -1.30 0.74 -0.51 -0.33 0.00 0.00 177.00 175.65 2qpq s LEU 10 N -4.07 3.49 -0.21 -5.54 1.43 -0.49 -4.91 118.68 108.39 2qpq s LEU 10 Ca 0.78 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 54.19 2qpq s LEU 10 Cb -0.34 -3.19 0.06 0.00 0.03 0.00 0.00 46.19 42.75 2qpq s LEU 10 CO 0.37 -0.86 0.00 -0.62 0.23 0.00 0.00 176.35 175.47 2qpq s ASP 11 N -4.27 3.23 -0.27 2.29 2.15 0.17 0.44 116.67 120.41 2qpq s ASP 11 Ca 0.51 -0.94 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 2qpq s ASP 11 Cb -0.10 -0.80 -0.04 0.00 -0.30 0.00 0.00 42.92 41.68 2qpq s ASP 11 CO 0.40 -0.28 0.14 -0.63 -0.17 0.00 0.00 175.17 174.63 2qpq s ILE 12 N 1.69 4.91 -0.28 4.11 1.01 0.55 -1.06 121.20 132.13 2qpq s ILE 12 Ca -0.03 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 2qpq s ILE 12 Cb -0.18 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2qpq s ILE 12 CO -0.07 0.28 0.28 -0.63 0.00 0.00 0.00 174.94 174.79 2qpq s ILE 13 N 1.70 5.25 -0.16 2.92 -1.09 -0.10 -0.54 121.20 129.17 2qpq s ILE 13 Ca 0.07 0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 58.68 2qpq s ILE 13 Cb -0.16 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2qpq s ILE 13 CO 0.08 0.20 0.40 -0.69 -1.23 0.00 0.00 174.94 173.70 2qpq s VAL 14 N 1.91 5.23 -0.66 2.92 1.01 0.48 0.92 120.40 132.20 2qpq s VAL 14 Ca 0.11 0.75 0.24 0.00 0.00 0.00 0.00 61.98 63.08 2qpq s VAL 14 Cb -0.16 -3.73 0.25 0.00 0.00 0.00 0.00 36.38 32.74 2qpq s VAL 14 CO 0.11 0.32 1.73 0.35 0.00 0.00 0.00 175.10 177.60 2qpq n THR 15 N 3.87 0.70 -4.27 3.92 -2.24 0.67 -2.18 114.28 114.75 2qpq n THR 15 Ca -0.09 0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 2qpq n THR 15 Cb 0.51 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.74 2qpq n THR 15 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2qpq s PHE 16 N -3.19 1.45 -1.32 4.78 0.40 -1.26 -3.32 117.98 115.53 2qpq s PHE 16 Ca 0.07 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 2qpq s PHE 16 Cb 0.11 -0.73 0.11 0.00 0.51 0.00 0.00 43.02 43.02 2qpq s PHE 16 CO 0.46 0.18 1.85 -0.35 0.70 0.00 0.00 175.22 178.06 2qpq n PRO 17 N 0.13 3.27 0.00 0.24 -0.04 -1.26 -4.74 135.00 132.60 2qpq n PRO 17 Ca -0.12 -3.30 0.00 0.00 -0.04 0.00 0.00 63.50 60.04 2qpq n PRO 17 Cb 0.59 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2qpq n PRO 17 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2qpq n MET 24 N 5.84 0.00 -2.61 0.54 0.00 -1.26 -5.14 117.12 114.49 2qpq n MET 24 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.86 2qpq n MET 24 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.61 2qpq n MET 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2qpq n LEU 25 N 0.00 4.93 -3.80 -0.89 -0.00 -1.26 -1.46 117.00 114.53 2qpq n LEU 25 Ca 0.00 -5.36 -0.01 0.00 -0.00 0.00 0.00 56.01 50.63 2qpq n LEU 25 Cb 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.86 2qpq n LEU 25 CO 0.00 2.24 0.88 0.00 -0.00 0.00 0.00 177.39 180.51 2qpq s ALA 26 N -3.59 -1.86 0.00 1.96 0.00 -1.26 -4.91 121.76 112.10 2qpq s ALA 26 Ca 0.48 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2qpq s ALA 26 Cb 0.35 0.65 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2qpq s ALA 26 CO -0.19 -1.07 0.00 -2.13 0.00 0.00 0.00 175.76 172.38 2qpq n ARG 27 N -0.61 0.00 -0.29 0.00 3.00 -1.26 -4.66 116.66 112.83 2qpq n ARG 27 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.75 2qpq n ARG 27 Cb 0.60 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.13 2qpq n ARG 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2qpq h LEU 28 N 0.00 1.08 0.29 6.15 5.85 -1.62 -1.38 115.31 125.67 2qpq h LEU 28 Ca 0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2qpq h LEU 28 Cb 0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 2qpq h LEU 28 CO 0.00 0.93 -0.14 0.40 -0.34 0.00 0.00 178.44 179.29 2qpq h ILE 29 N 1.15 0.72 -0.55 4.05 2.04 -1.83 -2.48 117.51 120.62 2qpq h ILE 29 Ca 0.27 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.11 2qpq h ILE 29 Cb 0.17 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2qpq h ILE 29 CO -0.03 0.01 0.37 1.23 0.00 0.00 0.00 178.15 179.73 2qpq h GLY 30 N -0.41 0.76 2.00 5.37 0.00 -1.85 0.16 103.07 109.10 2qpq h GLY 30 Ca -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2qpq h GLY 30 CO 0.07 0.26 -0.09 -0.57 0.00 0.00 0.00 176.54 176.20 2qpq h ASN 31 N 0.71 0.00 -0.10 0.19 -1.24 -1.05 -3.06 115.58 111.03 2qpq h ASN 31 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2qpq h ASN 31 Cb -0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2qpq h ASN 31 CO -0.05 0.09 0.00 -1.22 -1.29 0.00 0.00 177.43 174.96 2qpq n TYR 32 N -4.36 0.13 -0.35 0.67 4.01 -0.68 -4.85 117.16 111.72 2qpq n TYR 32 Ca -0.03 -0.29 0.10 0.00 -0.16 0.00 0.00 57.90 57.53 2qpq n TYR 32 Cb 0.17 -0.02 0.21 0.00 -0.31 0.00 0.00 39.34 39.39 2qpq n TYR 32 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2qpq h LEU 33 N 1.02 -0.71 0.00 7.72 5.85 -0.61 -3.23 115.31 125.36 2qpq h LEU 33 Ca 0.00 0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 2qpq h LEU 33 Cb 0.45 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2qpq h LEU 33 CO 0.00 -0.34 -1.48 1.07 -0.34 0.00 0.00 178.44 177.35 2qpq n THR 34 N -5.56 0.48 0.29 1.05 5.66 -1.26 -0.38 114.28 114.56 2qpq n THR 34 Ca 0.20 -0.25 0.18 0.00 -3.05 0.00 0.00 64.05 61.13 2qpq n THR 34 Cb 0.63 -0.81 0.82 0.00 -1.55 0.00 0.00 70.33 69.41 2qpq n THR 34 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2qpq h GLU 35 N 0.00 0.00 0.00 1.09 5.08 -1.87 0.14 114.58 119.02 2qpq h GLU 35 Ca -0.19 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2qpq h GLU 35 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2qpq h GLU 35 CO -0.01 0.03 -1.47 -1.13 -1.00 0.00 0.00 179.01 175.43 2qpq n SER 36 N -3.16 2.93 -0.12 1.42 3.41 -0.66 -4.85 113.62 112.58 2qpq n SER 36 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2qpq n SER 36 Cb 0.24 1.18 -0.09 0.00 -0.26 0.00 0.00 64.21 65.28 2qpq n SER 36 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2qpq n LEU 37 N -1.98 2.05 0.00 1.04 0.00 0.49 -4.62 117.00 113.98 2qpq n LEU 37 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 56.01 56.16 2qpq n LEU 37 Cb 0.42 -0.76 0.00 0.00 0.00 0.00 0.00 43.42 43.08 2qpq n LEU 37 CO 0.19 0.61 0.00 0.61 0.00 0.00 0.00 177.39 178.80 2qpq n GLY 38 N 1.64 2.12 3.06 -3.96 0.00 0.47 -4.77 105.19 103.75 2qpq n GLY 38 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 2qpq n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qpq s GLN 39 N 0.00 0.54 0.51 1.61 -1.52 -1.26 -4.99 119.66 114.55 2qpq s GLN 39 Ca 0.00 -0.87 -0.06 0.00 -1.95 0.00 0.00 55.36 52.48 2qpq s GLN 39 Cb 0.00 -0.13 0.11 0.00 -0.22 0.00 0.00 33.01 32.77 2qpq s GLN 39 CO 0.00 -0.00 0.70 -2.37 -0.25 0.00 0.00 175.29 173.36 2qpq n THR 40 N 1.10 0.00 -4.61 -0.19 5.66 -1.26 -3.99 114.28 110.98 2qpq n THR 40 Ca -0.20 -0.70 -0.23 0.00 -3.05 0.00 0.00 64.05 59.87 2qpq n THR 40 Cb 0.56 -1.48 -0.15 0.00 -1.55 0.00 0.00 70.33 67.71 2qpq n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qpq s ALA 41 N -3.61 1.16 0.03 1.79 0.00 -1.26 -1.39 121.76 118.47 2qpq s ALA 41 Ca 0.42 -0.54 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 2qpq s ALA 41 Cb -0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2qpq s ALA 41 CO 0.29 0.24 0.77 0.08 0.00 0.00 0.00 175.76 177.13 2qpq s VAL 42 N -0.06 4.79 -0.11 0.00 1.01 0.17 -4.84 120.40 121.35 2qpq s VAL 42 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.62 2qpq s VAL 42 Cb -0.08 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2qpq s VAL 42 CO 0.00 0.34 -0.15 -0.69 0.00 0.00 0.00 175.10 174.60 2qpq s VAL 43 N 0.13 2.93 0.04 2.92 1.01 -1.26 -0.33 120.40 125.84 2qpq s VAL 43 Ca 0.39 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2qpq s VAL 43 Cb -0.20 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2qpq s VAL 43 CO 0.22 0.54 -0.07 -1.83 0.00 0.00 0.00 175.10 173.96 2qpq s GLU 44 N 0.15 0.51 -0.23 2.72 -1.05 0.30 -4.97 118.70 116.14 2qpq s GLU 44 Ca -0.08 -0.72 -0.11 0.00 -0.15 0.00 0.00 54.97 53.91 2qpq s GLU 44 Cb -0.15 -0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.21 2qpq s GLU 44 CO 0.05 0.05 0.17 -0.80 0.95 0.00 0.00 175.26 175.68 2qpq s ASN 45 N -1.50 6.17 -0.42 0.83 0.01 -1.26 -0.39 114.94 118.37 2qpq s ASN 45 Ca -0.10 0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.27 2qpq s ASN 45 Cb -0.10 -2.11 0.18 0.00 0.41 0.00 0.00 41.25 39.63 2qpq s ASN 45 CO 0.00 0.08 0.37 0.54 -1.51 0.00 0.00 177.10 176.59 2qpq n ARG 46 N 4.10 0.31 0.08 -0.60 5.12 -0.93 -4.92 116.66 119.82 2qpq n ARG 46 Ca -0.15 -3.23 0.12 0.00 -1.93 0.00 0.00 57.85 52.67 2qpq n ARG 46 Cb 0.52 -1.64 0.28 0.00 -1.16 0.00 0.00 32.46 30.46 2qpq n ARG 46 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2qpq n PRO 47 N 2.62 0.28 -1.50 5.56 -0.04 -1.26 -3.33 135.00 137.33 2qpq n PRO 47 Ca 0.29 0.15 -0.52 0.00 -0.04 0.00 0.00 63.50 63.38 2qpq n PRO 47 Cb 0.48 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 2qpq n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qpq n GLY 48 N 1.32 -0.64 3.50 0.55 0.00 -1.26 -3.20 105.19 105.46 2qpq n GLY 48 Ca 0.04 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 2qpq n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpq n ALA 49 N 0.98 -2.25 -1.86 4.61 0.00 -1.26 -1.07 120.51 119.66 2qpq n ALA 49 Ca 0.17 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 2qpq n ALA 49 Cb 0.20 -3.61 -0.06 0.00 0.00 0.00 0.00 19.45 15.98 2qpq n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qpq n SER 50 N -3.06 -5.47 0.00 0.00 7.64 -1.24 -0.68 113.62 110.82 2qpq n SER 50 Ca -0.19 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2qpq n SER 50 Cb 0.64 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 2qpq n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qpq n GLY 51 N -0.58 0.81 0.17 0.23 0.00 -1.01 -4.61 105.19 100.20 2qpq n GLY 51 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 2qpq n GLY 51 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qpq h ASN 52 N 0.00 0.72 -0.47 1.61 2.35 0.77 0.67 115.58 121.23 2qpq h ASN 52 Ca 0.00 -0.72 0.08 0.00 -0.55 0.00 0.00 56.30 55.11 2qpq h ASN 52 Cb 0.00 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.09 2qpq h ASN 52 CO 0.00 1.34 0.10 0.58 -1.65 0.00 0.00 177.43 177.80 2qpq h VAL 53 N 0.18 0.75 -0.41 2.81 2.07 -1.74 0.13 116.25 120.05 2qpq h VAL 53 Ca -0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2qpq h VAL 53 Cb 1.43 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2qpq h VAL 53 CO 0.15 0.04 0.13 1.23 0.02 0.00 0.00 177.57 179.14 2qpq h GLY 54 N 0.24 0.68 0.96 2.17 0.00 -1.54 -2.35 103.07 103.23 2qpq h GLY 54 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2qpq h GLY 54 CO -0.30 0.38 0.21 0.00 0.00 0.00 0.00 176.54 176.83 2qpq h ALA 55 N 0.97 0.51 -0.49 3.60 0.00 -0.54 -2.24 119.26 121.07 2qpq h ALA 55 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2qpq h ALA 55 Cb 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2qpq h ALA 55 CO -0.00 0.05 0.18 -0.09 0.00 0.00 0.00 179.25 179.38 2qpq h ARG 56 N 0.50 0.35 -0.30 0.00 2.43 -0.70 0.91 114.38 117.57 2qpq h ARG 56 Ca 0.14 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2qpq h ARG 56 Cb 0.08 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2qpq h ARG 56 CO -0.02 0.23 -0.01 1.25 -1.51 0.00 0.00 179.97 179.91 2qpq h LEU 57 N 0.36 -0.14 -0.48 3.80 5.85 -1.24 -2.11 115.31 121.34 2qpq h LEU 57 Ca 0.23 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.86 2qpq h LEU 57 Cb 0.24 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2qpq h LEU 57 CO -0.23 -0.04 -0.52 0.58 -0.34 0.00 0.00 178.44 177.88 2qpq h VAL 58 N 0.07 1.31 0.00 1.05 2.07 -1.14 -2.85 116.25 116.76 2qpq h VAL 58 Ca 0.14 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 2qpq h VAL 58 Cb 0.20 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2qpq h VAL 58 CO -0.25 0.55 -0.07 0.00 0.02 0.00 0.00 177.57 177.82 2qpq h ALA 59 N 0.92 1.35 -0.06 1.67 0.00 -0.47 -1.36 119.26 121.31 2qpq h ALA 59 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qpq h ALA 59 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qpq h ALA 59 CO 0.10 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 2qpq n ASP 60 N -3.69 1.86 -4.89 0.00 8.00 -0.82 -4.87 116.55 112.13 2qpq n ASP 60 Ca -0.02 -1.64 -0.29 0.00 0.71 0.00 0.00 54.79 53.55 2qpq n ASP 60 Cb 0.18 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.26 2qpq n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2qpq s ARG 61 N -1.94 3.45 0.47 -1.24 1.81 -0.51 -5.03 118.95 115.95 2qpq s ARG 61 Ca 0.35 0.47 -0.24 0.00 -1.72 0.00 0.00 55.73 54.60 2qpq s ARG 61 Cb 0.20 -2.19 -0.07 0.00 -0.45 0.00 0.00 34.95 32.44 2qpq s ARG 61 CO 0.32 -0.50 1.30 0.00 -0.68 0.00 0.00 175.30 175.74 2qpq s ALA 62 N -3.03 3.05 -0.97 2.13 0.00 -1.26 -4.85 121.76 116.83 2qpq s ALA 62 Ca 0.53 1.22 -0.06 0.00 0.00 0.00 0.00 51.96 53.64 2qpq s ALA 62 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2qpq s ALA 62 CO 0.50 -1.00 2.87 -0.35 0.00 0.00 0.00 175.76 177.79 2qpq n PRO 63 N -0.42 3.39 0.00 0.00 -0.04 -1.26 -4.36 135.00 132.31 2qpq n PRO 63 Ca 0.07 -2.40 0.03 0.00 -0.04 0.00 0.00 63.50 61.16 2qpq n PRO 63 Cb 0.45 -2.46 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2qpq n PRO 63 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qpq n ASP 64 N 2.22 0.92 0.00 3.54 5.68 -1.26 -4.17 116.55 123.49 2qpq n ASP 64 Ca 0.61 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 2qpq n ASP 64 Cb 0.44 0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 2qpq n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qpq n GLY 65 N 0.74 0.70 0.04 6.12 0.00 -1.26 -4.92 105.19 106.61 2qpq n GLY 65 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2qpq n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qpq n TYR 66 N -2.00 0.33 -4.60 1.61 4.01 -1.26 -4.79 117.16 110.47 2qpq n TYR 66 Ca 0.00 0.10 -0.31 0.00 -0.16 0.00 0.00 57.90 57.52 2qpq n TYR 66 Cb 0.00 -0.54 -0.17 0.00 -0.31 0.00 0.00 39.34 38.33 2qpq n TYR 66 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2qpq s SER 67 N -3.67 2.90 0.10 7.72 0.01 -1.26 -0.65 113.70 118.84 2qpq s SER 67 Ca 0.10 -0.55 0.05 0.00 1.31 0.00 0.00 55.95 56.86 2qpq s SER 67 Cb 0.15 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2qpq s SER 67 CO 0.67 0.06 -0.13 -0.76 0.41 0.00 0.00 173.24 173.49 2qpq s LEU 68 N 0.88 2.36 -0.12 2.44 1.02 -0.22 -4.35 118.68 120.67 2qpq s LEU 68 Ca -0.07 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.36 2qpq s LEU 68 Cb -0.15 -0.48 0.00 0.00 0.02 0.00 0.00 46.19 45.58 2qpq s LEU 68 CO -0.02 -0.15 -0.21 -0.22 0.02 0.00 0.00 176.35 175.78 2qpq s LEU 69 N -2.20 2.24 -0.23 1.79 2.96 -0.05 -0.93 118.68 122.26 2qpq s LEU 69 Ca 0.04 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 2qpq s LEU 69 Cb -0.06 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2qpq s LEU 69 CO 0.02 0.12 0.42 -0.32 -1.32 0.00 0.00 176.35 175.28 2qpq s MET 70 N 0.56 4.11 0.22 1.98 -2.45 0.26 -1.17 119.30 122.82 2qpq s MET 70 Ca -0.12 0.20 0.10 0.00 -1.25 0.00 0.00 55.69 54.61 2qpq s MET 70 Cb -0.17 -3.59 -0.05 0.00 1.25 0.00 0.00 34.83 32.27 2qpq s MET 70 CO 0.04 -0.17 -0.18 0.14 1.05 0.00 0.00 175.02 175.89 2qpq s VAL 71 N 1.74 2.09 0.67 10.11 -7.23 -0.53 -0.24 120.40 127.00 2qpq s VAL 71 Ca 0.19 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2qpq s VAL 71 Cb -0.15 -2.11 0.13 0.00 0.56 0.00 0.00 36.38 34.81 2qpq s VAL 71 CO 0.09 -0.42 0.92 0.59 -0.31 0.00 0.00 175.10 175.97 2qpq n ASN 72 N -0.28 1.41 -0.18 4.85 5.03 -1.26 -2.09 115.26 122.75 2qpq n ASN 72 Ca -0.08 -2.15 0.27 0.00 0.87 0.00 0.00 54.58 53.49 2qpq n ASN 72 Cb 0.59 -0.58 0.70 0.00 -1.02 0.00 0.00 39.78 39.47 2qpq n ASN 72 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2qpq h SER 73 N -0.45 0.05 -0.91 6.41 0.02 -1.67 -2.45 113.55 114.55 2qpq h SER 73 Ca -0.30 0.01 0.22 0.00 -0.84 0.00 0.00 61.79 60.87 2qpq h SER 73 Cb 1.17 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 2qpq h SER 73 CO 0.34 0.02 0.61 -1.28 -1.14 0.00 0.00 176.83 175.38 2qpq h SER 74 N 0.05 0.33 -0.97 3.07 0.87 -1.92 0.31 113.55 115.29 2qpq h SER 74 Ca 0.42 0.04 0.18 0.00 -1.23 0.00 0.00 61.79 61.20 2qpq h SER 74 Cb 1.61 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.46 2qpq h SER 74 CO -0.03 0.12 0.61 0.15 -0.53 0.00 0.00 176.83 177.16 2qpq h PHE 75 N 0.32 0.90 0.00 2.24 3.57 -1.69 -1.73 116.94 120.55 2qpq h PHE 75 Ca 0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2qpq h PHE 75 Cb 1.29 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2qpq h PHE 75 CO -0.00 0.24 -0.11 0.00 -2.23 0.00 0.00 178.31 176.21 2qpq n ALA 76 N -2.40 2.50 -0.05 2.41 0.00 0.11 -3.34 120.51 119.74 2qpq n ALA 76 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2qpq n ALA 76 Cb 0.57 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 2qpq n ALA 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qpq n VAL 77 N -1.83 1.55 -0.31 0.00 0.31 -0.78 -4.18 118.33 113.09 2qpq n VAL 77 Ca 0.06 -0.79 0.08 0.00 -0.01 0.00 0.00 64.34 63.68 2qpq n VAL 77 Cb 0.38 -0.95 0.24 0.00 -0.91 0.00 0.00 33.84 32.60 2qpq n VAL 77 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2qpq h ASN 78 N 0.01 0.64 0.05 4.52 -0.26 -1.34 -2.77 115.58 116.41 2qpq h ASN 78 Ca -0.39 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.41 2qpq h ASN 78 Cb 2.08 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 39.31 2qpq h ASN 78 CO 0.06 0.28 -0.06 -0.65 -1.06 0.00 0.00 177.43 175.99 2qpq h PRO 79 N 0.71 0.04 0.00 0.81 0.11 -1.78 -0.84 132.00 131.05 2qpq h PRO 79 Ca 0.48 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.52 2qpq h PRO 79 Cb 0.64 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2qpq h PRO 79 CO -0.34 0.11 -0.76 0.78 -0.21 0.00 0.00 178.00 177.58 2qpq h GLY 80 N 0.28 0.00 -0.23 -0.55 0.00 -1.78 -3.36 103.07 97.43 2qpq h GLY 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2qpq h GLY 80 CO 0.01 0.00 -0.71 3.33 0.00 0.00 0.00 176.54 179.17 2qpq n VAL 81 N -2.96 0.00 -4.25 4.60 0.24 -0.91 -4.74 118.33 110.31 2qpq n VAL 81 Ca -0.01 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 61.81 2qpq n VAL 81 Cb 0.66 1.06 -0.11 0.00 -1.47 0.00 0.00 33.84 33.98 2qpq n VAL 81 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2qpq s PHE 82 N -2.52 3.09 0.16 6.34 0.40 -0.37 0.99 117.98 126.08 2qpq s PHE 82 Ca 0.09 -0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 2qpq s PHE 82 Cb 0.14 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.68 2qpq s PHE 82 CO 0.66 0.00 1.56 0.00 0.70 0.00 0.00 175.22 178.14 2qpq h ARG 83 N 6.78 1.01 -4.41 0.44 3.08 -1.87 -3.42 114.38 115.98 2qpq h ARG 83 Ca -0.33 -0.42 -0.42 0.00 0.07 0.00 0.00 59.98 58.88 2qpq h ARG 83 Cb 1.18 -0.04 -0.31 0.00 0.08 0.00 0.00 29.97 30.88 2qpq h ARG 83 CO 0.65 1.10 -0.78 -0.80 -1.07 0.00 0.00 179.97 179.07 2qpq s ASN 84 N -6.71 1.10 -0.09 7.04 0.02 -1.26 -5.14 114.94 109.89 2qpq s ASN 84 Ca -0.11 -0.17 0.04 0.00 -1.02 0.00 0.00 52.86 51.60 2qpq s ASN 84 Cb 0.12 -0.35 0.00 0.00 0.02 0.00 0.00 41.25 41.05 2qpq s ASN 84 CO 0.87 0.03 -0.21 -0.22 0.02 0.00 0.00 177.10 177.59 2qpq s LEU 85 N 0.36 1.99 0.00 0.60 2.96 -1.26 -5.03 118.68 118.30 2qpq s LEU 85 Ca -0.05 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 2qpq s LEU 85 Cb -0.10 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.32 2qpq s LEU 85 CO 0.01 0.13 0.43 -0.81 -1.32 0.00 0.00 176.35 174.79 2qpq n PRO 86 N 3.59 0.78 -3.67 0.98 -0.04 -1.26 -4.77 135.00 130.61 2qpq n PRO 86 Ca -0.20 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 2qpq n PRO 86 Cb 0.53 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 2qpq n PRO 86 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2qpq s PHE 87 N -1.11 -0.32 -0.50 0.54 -0.71 -1.26 -4.99 117.98 109.64 2qpq s PHE 87 Ca 0.00 -0.03 -0.18 0.00 -1.04 0.00 0.00 56.93 55.68 2qpq s PHE 87 Cb 0.00 0.60 0.06 0.00 -1.21 0.00 0.00 43.02 42.47 2qpq s PHE 87 CO 0.00 -1.03 0.57 0.34 -1.34 0.00 0.00 175.22 173.76 2qpq s ASP 88 N -2.85 6.21 0.60 1.98 -1.08 -1.26 -4.96 116.67 115.31 2qpq s ASP 88 Ca 0.07 -1.00 0.30 0.00 -0.52 0.00 0.00 52.55 51.40 2qpq s ASP 88 Cb -0.03 -2.27 1.73 0.00 -1.46 0.00 0.00 42.92 40.89 2qpq s ASP 88 CO -0.02 -0.83 2.12 1.55 0.52 0.00 0.00 175.17 178.50 2qpq h PRO 89 N 8.94 0.00 0.08 4.34 0.13 -1.97 0.27 132.00 143.79 2qpq h PRO 89 Ca -0.28 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.48 2qpq h PRO 89 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2qpq h PRO 89 CO 0.94 0.00 -2.15 1.63 -0.23 0.00 0.00 178.00 178.19 2qpq n LYS 90 N -3.68 0.72 -0.04 0.86 5.02 -1.26 -4.44 118.16 115.34 2qpq n LYS 90 Ca 0.01 0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.43 2qpq n LYS 90 Cb 0.30 -1.65 -0.15 0.00 -0.02 0.00 0.00 35.03 33.51 2qpq n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qpq n LYS 91 N -3.42 0.65 0.00 1.97 4.76 -0.99 -4.23 118.16 116.91 2qpq n LYS 91 Ca -0.37 0.21 0.15 0.00 -2.87 0.00 0.00 58.31 55.43 2qpq n LYS 91 Cb 1.03 -1.71 0.74 0.00 -1.84 0.00 0.00 35.03 33.24 2qpq n LYS 91 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qpq n ASP 92 N -2.98 0.51 -4.07 4.39 8.00 0.91 -4.35 116.55 118.96 2qpq n ASP 92 Ca -0.22 -0.96 -0.10 0.00 0.71 0.00 0.00 54.79 54.21 2qpq n ASP 92 Cb 1.08 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 42.04 2qpq n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qpq s PHE 93 N -2.16 0.60 -0.02 1.24 0.08 -1.26 -0.47 117.98 115.98 2qpq s PHE 93 Ca 0.39 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2qpq s PHE 93 Cb 0.21 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.30 2qpq s PHE 93 CO 0.40 -0.18 -0.02 0.00 -0.10 0.00 0.00 175.22 175.32 2qpq s ALA 94 N -2.36 0.34 0.35 5.36 0.00 -0.18 -4.46 121.76 120.81 2qpq s ALA 94 Ca -0.03 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 2qpq s ALA 94 Cb -0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 2qpq s ALA 94 CO -0.03 -0.01 0.97 0.00 0.00 0.00 0.00 175.76 176.69 2qpq s ALA 95 N 0.61 3.16 -0.13 0.00 0.00 -1.26 -0.58 121.76 123.56 2qpq s ALA 95 Ca -0.06 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 2qpq s ALA 95 Cb -0.09 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2qpq s ALA 95 CO -0.01 0.09 -0.25 0.28 0.00 0.00 0.00 175.76 175.86 2qpq n VAL 96 N 0.27 1.33 -3.64 0.00 0.31 0.24 -4.31 118.33 112.52 2qpq n VAL 96 Ca 0.03 0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 2qpq n VAL 96 Cb 0.50 -2.03 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 2qpq n VAL 96 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2qpq s ILE 97 N -2.57 0.00 -0.15 2.52 2.07 -1.06 -2.13 121.20 119.88 2qpq s ILE 97 Ca -0.23 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 58.81 2qpq s ILE 97 Cb 0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 2qpq s ILE 97 CO 0.32 0.00 0.60 0.21 -1.91 0.00 0.00 174.94 174.16 2qpq s ASN 98 N 0.73 6.75 0.00 4.50 2.47 -0.97 0.45 114.94 128.87 2qpq s ASN 98 Ca -0.02 0.90 0.11 0.00 0.42 0.00 0.00 52.86 54.27 2qpq s ASN 98 Cb -0.05 -2.34 0.05 0.00 -1.45 0.00 0.00 41.25 37.46 2qpq s ASN 98 CO -0.09 -0.16 0.78 1.33 -3.72 0.00 0.00 177.10 175.23 2qpq n VAL 99 N 4.21 0.00 -3.64 -5.21 0.24 0.47 -3.90 118.33 110.49 2qpq n VAL 99 Ca -0.03 -0.45 -0.05 0.00 -2.04 0.00 0.00 64.34 61.76 2qpq n VAL 99 Cb 0.51 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 2qpq n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qpq s ALA 100 N -1.15 -2.11 -0.01 2.33 0.00 -1.15 -4.25 121.76 115.43 2qpq s ALA 100 Ca 0.11 1.76 0.08 0.00 0.00 0.00 0.00 51.96 53.91 2qpq s ALA 100 Cb 0.09 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 2qpq s ALA 100 CO 0.20 -0.17 -0.25 0.71 0.00 0.00 0.00 175.76 176.25 2qpq s TYR 101 N -0.09 2.37 -0.13 0.00 2.02 -1.05 -1.53 117.35 118.95 2qpq s TYR 101 Ca 0.06 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2qpq s TYR 101 Cb -0.04 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2qpq s TYR 101 CO -0.11 0.03 -0.12 0.08 -1.57 0.00 0.00 175.55 173.87 2qpq s VAL 102 N -0.67 1.33 0.81 0.71 1.01 -0.35 -1.88 120.40 121.36 2qpq s VAL 102 Ca 0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 2qpq s VAL 102 Cb -0.10 -1.27 0.08 0.00 0.00 0.00 0.00 36.38 35.09 2qpq s VAL 102 CO 0.00 0.42 1.14 -2.16 0.00 0.00 0.00 175.10 174.49 2qpq s PRO 103 N 1.48 1.97 0.36 2.72 0.04 -1.26 -1.49 135.00 138.81 2qpq s PRO 103 Ca 0.03 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.38 2qpq s PRO 103 Cb -0.13 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2qpq s PRO 103 CO -0.08 -1.63 0.59 -1.12 0.04 0.00 0.00 177.00 174.79 2qpq s SER 104 N -4.27 6.31 0.05 6.66 0.01 -1.26 -0.06 113.70 121.14 2qpq s SER 104 Ca 0.61 0.56 0.06 0.00 1.31 0.00 0.00 55.95 58.49 2qpq s SER 104 Cb -0.13 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 2qpq s SER 104 CO 0.52 -0.33 -0.16 0.68 0.41 0.00 0.00 173.24 174.36 2qpq s VAL 105 N -2.36 1.27 -0.32 3.43 -7.23 0.28 -1.52 120.40 113.95 2qpq s VAL 105 Ca 0.42 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 59.27 2qpq s VAL 105 Cb -0.10 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 2qpq s VAL 105 CO 0.37 -0.02 0.41 -0.36 -0.31 0.00 0.00 175.10 175.19 2qpq s PHE 106 N -0.97 3.22 0.03 2.82 0.40 -0.61 -1.80 117.98 121.07 2qpq s PHE 106 Ca 0.02 0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 2qpq s PHE 106 Cb -0.09 -2.71 -0.02 0.00 0.51 0.00 0.00 43.02 40.71 2qpq s PHE 106 CO 0.02 -0.39 -0.21 0.14 0.70 0.00 0.00 175.22 175.48 2qpq s VAL 107 N 2.15 1.68 0.21 -0.44 -7.23 0.14 0.27 120.40 117.18 2qpq s VAL 107 Ca 0.15 -1.15 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 2qpq s VAL 107 Cb -0.16 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 2qpq s VAL 107 CO 0.11 0.26 -0.12 0.68 -0.31 0.00 0.00 175.10 175.72 2qpq s VAL 108 N -0.74 1.67 0.44 1.32 -7.23 -0.35 -1.24 120.40 114.27 2qpq s VAL 108 Ca 0.08 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 2qpq s VAL 108 Cb -0.09 -2.11 -0.08 0.00 0.56 0.00 0.00 36.38 34.67 2qpq s VAL 108 CO 0.01 -0.55 1.20 -2.84 -0.31 0.00 0.00 175.10 172.62 2qpq s PRO 109 N -3.67 3.82 0.09 4.82 0.02 -1.26 -1.63 135.00 137.18 2qpq s PRO 109 Ca 0.23 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 2qpq s PRO 109 Cb 0.00 -2.52 -0.16 0.00 0.02 0.00 0.00 34.50 31.84 2qpq s PRO 109 CO 0.07 -0.53 0.70 0.00 -0.33 0.00 0.00 177.00 176.91 2qpq n ALA 110 N -0.28 -2.97 -3.31 -1.55 0.00 -1.24 -1.58 120.51 109.57 2qpq n ALA 110 Ca 0.06 0.46 -0.23 0.00 0.00 0.00 0.00 53.44 53.73 2qpq n ALA 110 Cb 0.47 -1.49 0.06 0.00 0.00 0.00 0.00 19.45 18.48 2qpq n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpq n GLY 111 N 1.54 -0.54 3.79 0.00 0.00 -1.26 -5.01 105.19 103.71 2qpq n GLY 111 Ca 0.17 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2qpq n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qpq s SER 112 N -3.00 6.40 0.49 1.61 0.15 -0.62 -4.92 113.70 113.82 2qpq s SER 112 Ca 0.44 2.03 0.21 0.00 0.70 0.00 0.00 55.95 59.33 2qpq s SER 112 Cb -0.20 -2.57 1.12 0.00 -1.71 0.00 0.00 66.02 62.66 2qpq s SER 112 CO 0.55 -0.74 1.58 0.07 1.20 0.00 0.00 173.24 175.90 2qpq h LYS 113 N 1.89 0.00 -4.65 5.44 2.10 -1.95 -3.37 116.57 116.02 2qpq h LYS 113 Ca -0.49 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.45 2qpq h LYS 113 Cb 1.23 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.35 2qpq h LYS 113 CO 0.60 0.00 0.16 0.71 -2.00 0.00 0.00 179.45 178.92 2qpq s TYR 114 N -3.71 3.05 -0.33 0.07 2.02 -1.26 -4.88 117.35 112.31 2qpq s TYR 114 Ca -0.02 -1.05 0.21 0.00 -0.37 0.00 0.00 57.07 55.83 2qpq s TYR 114 Cb 0.06 -4.02 0.21 0.00 -0.40 0.00 0.00 41.96 37.81 2qpq s TYR 114 CO 0.19 -1.29 1.47 0.87 -1.57 0.00 0.00 175.55 175.22 2qpq h LYS 115 N 9.08 0.00 -4.07 -0.62 1.79 -1.97 -3.48 116.57 117.30 2qpq h LYS 115 Ca -0.24 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.11 2qpq h LYS 115 Cb 1.08 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.59 2qpq h LYS 115 CO 1.08 0.15 -0.52 0.95 -1.08 0.00 0.00 179.45 180.03 2qpq s THR 116 N -3.15 0.15 0.28 -0.16 -4.23 -1.26 -4.97 115.64 102.30 2qpq s THR 116 Ca 0.05 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2qpq s THR 116 Cb 0.06 -1.59 0.28 0.00 1.34 0.00 0.00 72.50 72.59 2qpq s THR 116 CO 0.71 -0.69 1.84 0.25 -0.54 0.00 0.00 174.62 176.19 2qpq h LEU 117 N 2.88 0.93 -1.37 4.79 5.85 -1.92 -2.88 115.31 123.59 2qpq h LEU 117 Ca -0.34 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.46 2qpq h LEU 117 Cb 1.18 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2qpq h LEU 117 CO 0.59 0.51 0.45 1.23 -0.34 0.00 0.00 178.44 180.89 2qpq h GLY 118 N 1.02 0.93 1.24 3.75 0.00 -1.94 0.13 103.07 108.21 2qpq h GLY 118 Ca 0.48 -0.32 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 2qpq h GLY 118 CO -0.25 0.28 -0.67 0.83 0.00 0.00 0.00 176.54 176.73 2qpq h GLU 119 N 0.82 0.76 0.10 4.80 5.08 -1.93 0.13 114.58 124.35 2qpq h GLU 119 Ca 0.27 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2qpq h GLU 119 Cb 0.07 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2qpq h GLU 119 CO -0.08 1.18 -0.11 1.25 -1.00 0.00 0.00 179.01 180.25 2qpq h LEU 120 N 0.55 -0.31 -0.92 1.33 7.12 -1.26 -1.12 115.31 120.71 2qpq h LEU 120 Ca -0.02 0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.94 2qpq h LEU 120 Cb 1.28 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.50 2qpq h LEU 120 CO 0.14 -0.18 -0.06 0.24 -0.13 0.00 0.00 178.44 178.45 2qpq h MET 121 N -0.25 0.72 -0.36 1.25 2.86 -0.69 -1.67 114.93 116.79 2qpq h MET 121 Ca 0.01 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2qpq h MET 121 Cb 0.24 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2qpq h MET 121 CO -0.04 0.78 0.22 0.00 1.06 0.00 0.00 176.91 178.93 2qpq h ALA 122 N 1.26 0.46 -0.42 6.32 0.00 -0.88 -2.63 119.26 123.38 2qpq h ALA 122 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qpq h ALA 122 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2qpq h ALA 122 CO 0.03 -0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.41 2qpq h ALA 123 N 1.15 1.68 -0.30 0.00 0.00 -0.82 -3.06 119.26 117.91 2qpq h ALA 123 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qpq h ALA 123 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qpq h ALA 123 CO -0.06 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2qpq n ALA 124 N -2.47 2.47 0.18 0.00 0.00 -0.66 -4.41 120.51 115.62 2qpq n ALA 124 Ca 0.03 -0.76 0.07 0.00 0.00 0.00 0.00 53.44 52.79 2qpq n ALA 124 Cb 0.07 -0.98 0.16 0.00 0.00 0.00 0.00 19.45 18.70 2qpq n ALA 124 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qpq h LYS 125 N 3.23 0.00 -6.94 0.00 1.79 -1.40 0.22 116.57 113.48 2qpq h LYS 125 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2qpq h LYS 125 Cb 0.71 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.40 2qpq h LYS 125 CO 0.00 0.30 0.48 -0.65 -1.08 0.00 0.00 179.45 178.49 2qpq s GLN 126 N -3.17 4.12 0.41 3.15 1.11 -1.26 -4.76 119.66 119.26 2qpq s GLN 126 Ca 0.04 1.75 0.20 0.00 0.01 0.00 0.00 55.36 57.36 2qpq s GLN 126 Cb 0.07 -2.67 0.84 0.00 -1.01 0.00 0.00 33.01 30.24 2qpq s GLN 126 CO 0.70 -0.23 1.81 1.79 0.01 0.00 0.00 175.29 179.37 2qpq h THR 127 N 2.34 0.85 -2.31 -0.19 1.35 -1.94 -3.19 112.91 109.81 2qpq h THR 127 Ca -0.48 -1.28 -0.64 0.00 -0.55 0.00 0.00 66.41 63.47 2qpq h THR 127 Cb 1.23 1.78 -0.40 0.00 -1.73 0.00 0.00 68.15 69.03 2qpq h THR 127 CO 0.63 0.31 -0.36 0.59 -0.25 0.00 0.00 175.52 176.44 2qpq n ASN 128 N -3.62 4.27 -4.88 5.36 4.13 -1.26 -4.98 115.26 114.29 2qpq n ASN 128 Ca -0.01 -3.46 -0.37 0.00 1.68 0.00 0.00 54.58 52.43 2qpq n ASN 128 Cb 0.44 -0.77 -0.06 0.00 -1.54 0.00 0.00 39.78 37.85 2qpq n ASN 128 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2qpq s THR 129 N -2.63 5.42 -2.08 3.41 -1.32 -1.21 -5.00 115.64 112.24 2qpq s THR 129 Ca 0.39 0.27 0.24 0.00 -1.21 0.00 0.00 61.69 61.37 2qpq s THR 129 Cb 0.14 -3.47 0.63 0.00 -1.51 0.00 0.00 72.50 68.29 2qpq s THR 129 CO 0.00 0.57 1.84 1.67 -2.21 0.00 0.00 174.62 176.50 2qpq n GLN 130 N 1.81 1.15 -2.41 7.08 7.27 -1.26 -4.73 117.38 126.29 2qpq n GLN 130 Ca -0.18 -0.23 -0.42 0.00 0.07 0.00 0.00 57.00 56.24 2qpq n GLN 130 Cb 0.54 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.79 2qpq n GLN 130 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2qpq s VAL 131 N -1.97 4.15 0.32 1.69 0.11 -1.26 -4.95 120.40 118.49 2qpq s VAL 131 Ca 0.35 1.48 0.09 0.00 -2.93 0.00 0.00 61.98 60.97 2qpq s VAL 131 Cb 0.17 -3.95 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 2qpq s VAL 131 CO 0.28 -0.01 -0.11 0.42 -3.33 0.00 0.00 175.10 172.35 2qpq s THR 132 N 2.30 2.15 -0.08 5.04 -4.23 -1.25 -0.27 115.64 119.30 2qpq s THR 132 Ca 0.57 -2.22 -0.13 0.00 -1.18 0.00 0.00 61.69 58.73 2qpq s THR 132 Cb -0.26 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.06 2qpq s THR 132 CO 0.23 -0.26 0.33 -0.72 -0.54 0.00 0.00 174.62 173.66 2qpq s TYR 133 N -2.68 -0.30 0.26 3.99 -0.85 -0.18 -4.25 117.35 113.35 2qpq s TYR 133 Ca 0.31 0.65 0.02 0.00 -0.52 0.00 0.00 57.07 57.54 2qpq s TYR 133 Cb 0.02 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 2qpq s TYR 133 CO 0.15 -0.27 0.42 0.20 -1.52 0.00 0.00 175.55 174.53 2qpq s GLY 134 N -0.43 1.38 0.38 5.49 0.00 -0.92 0.51 107.32 113.72 2qpq s GLY 134 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.65 2qpq s GLY 134 CO 0.02 -1.03 0.10 -1.35 0.00 0.00 0.00 173.10 170.84 2qpq s SER 135 N -3.81 2.66 0.00 1.64 1.04 -1.26 0.39 113.70 114.36 2qpq s SER 135 Ca 0.37 -1.56 0.10 0.00 0.48 0.00 0.00 55.95 55.33 2qpq s SER 135 Cb -0.10 0.29 0.43 0.00 0.10 0.00 0.00 66.02 66.75 2qpq s SER 135 CO 0.31 -0.81 1.30 0.00 0.98 0.00 0.00 173.24 175.03 2qpq n GLY 137 N 0.80 2.42 3.71 0.00 0.00 -1.26 -4.36 105.19 106.50 2qpq n GLY 137 Ca 0.08 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2qpq n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qpq s ASN 138 N 0.00 6.83 0.00 1.61 -0.87 -1.26 -2.93 114.94 118.31 2qpq s ASN 138 Ca 0.00 2.28 0.00 0.00 -1.57 0.00 0.00 52.86 53.57 2qpq s ASN 138 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2qpq s ASN 138 CO 0.00 -0.67 0.00 0.61 -2.57 0.00 0.00 177.10 174.47 2qpq n GLY 139 N 3.55 0.40 3.80 0.66 0.00 -1.26 -5.01 105.19 107.33 2qpq n GLY 139 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2qpq n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qpq s THR 140 N -2.00 3.77 0.63 2.61 -4.23 -1.15 -4.76 115.64 110.51 2qpq s THR 140 Ca 0.00 0.86 0.31 0.00 -1.18 0.00 0.00 61.69 61.68 2qpq s THR 140 Cb 0.00 -3.37 0.35 0.00 1.34 0.00 0.00 72.50 70.82 2qpq s THR 140 CO 0.00 -0.48 2.02 -0.65 -0.54 0.00 0.00 174.62 174.97 2qpq h PRO 141 N 0.49 0.00 -0.17 3.99 0.11 -1.93 -1.60 132.00 132.89 2qpq h PRO 141 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 2qpq h PRO 141 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qpq h PRO 141 CO 0.57 0.00 -0.53 1.96 -0.21 0.00 0.00 178.00 179.79 2qpq h GLN 142 N 0.00 0.67 -0.45 1.05 7.50 -1.89 0.46 115.11 122.44 2qpq h GLN 142 Ca 0.07 -0.49 0.00 0.00 0.50 0.00 0.00 58.65 58.74 2qpq h GLN 142 Cb 0.64 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.23 2qpq h GLN 142 CO -0.00 1.11 0.30 1.25 -1.50 0.00 0.00 178.83 179.98 2qpq h HIS 143 N 0.35 0.57 -0.71 2.96 -0.00 -1.47 -2.79 115.15 114.07 2qpq h HIS 143 Ca -0.02 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2qpq h HIS 143 Cb 1.15 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 28.34 2qpq h HIS 143 CO 0.09 0.36 0.22 -0.07 -0.00 0.00 0.00 177.93 178.53 2qpq h LEU 144 N 0.61 1.03 -0.70 0.26 -0.00 -1.36 -1.78 115.31 113.37 2qpq h LEU 144 Ca 0.16 -0.21 0.10 0.00 -0.00 0.00 0.00 57.88 57.93 2qpq h LEU 144 Cb -0.07 -0.27 -0.07 0.00 -0.00 0.00 0.00 40.66 40.25 2qpq h LEU 144 CO -0.04 0.96 0.33 0.00 -0.00 0.00 0.00 178.44 179.70 2qpq h ALA 145 N 1.10 0.96 -0.08 1.53 0.00 -0.84 0.50 119.26 122.43 2qpq h ALA 145 Ca 0.23 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qpq h ALA 145 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qpq h ALA 145 CO -0.01 -0.09 0.04 0.78 0.00 0.00 0.00 179.25 179.98 2qpq h GLY 146 N 0.55 0.12 1.49 0.00 0.00 -1.17 -2.02 103.07 102.04 2qpq h GLY 146 Ca 0.35 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 2qpq h GLY 146 CO -0.29 0.05 -0.17 0.83 0.00 0.00 0.00 176.54 176.96 2qpq h GLU 147 N 0.04 0.61 -0.74 4.80 4.39 -1.02 -1.60 114.58 121.06 2qpq h GLU 147 Ca 0.03 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2qpq h GLU 147 Cb 0.07 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2qpq h GLU 147 CO -0.00 0.75 0.47 1.25 -1.16 0.00 0.00 179.01 180.31 2qpq h LEU 148 N 0.55 0.86 -0.35 1.33 5.85 0.12 -1.65 115.31 122.01 2qpq h LEU 148 Ca 0.09 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2qpq h LEU 148 Cb 0.60 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2qpq h LEU 148 CO 0.04 0.64 -0.13 0.25 -0.34 0.00 0.00 178.44 178.91 2qpq h LEU 149 N 1.01 0.72 -0.46 2.25 5.85 -0.59 0.90 115.31 124.99 2qpq h LEU 149 Ca 0.27 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2qpq h LEU 149 Cb -0.08 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 2qpq h LEU 149 CO -0.05 0.94 0.09 0.78 -0.34 0.00 0.00 178.44 179.86 2qpq h ASN 150 N 0.50 0.00 -0.08 1.25 -0.26 -0.76 0.13 115.58 116.36 2qpq h ASN 150 Ca 0.08 0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2qpq h ASN 150 Cb 0.65 0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.02 2qpq h ASN 150 CO 0.04 0.03 0.01 0.58 -1.06 0.00 0.00 177.43 177.04 2qpq h VAL 151 N 0.22 1.21 -0.33 2.81 2.07 -1.16 0.33 116.25 121.40 2qpq h VAL 151 Ca 0.22 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2qpq h VAL 151 Cb 0.29 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2qpq h VAL 151 CO -0.30 0.18 0.04 0.28 0.02 0.00 0.00 177.57 177.80 2qpq h SER 152 N -0.10 0.53 -0.03 0.57 0.02 -0.60 -3.22 113.55 110.72 2qpq h SER 152 Ca 0.02 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2qpq h SER 152 Cb 0.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2qpq h SER 152 CO 0.00 0.67 -0.02 0.00 -1.14 0.00 0.00 176.83 176.34 2qpq n ALA 153 N -2.35 2.52 -3.41 3.77 0.00 0.44 -4.97 120.51 116.51 2qpq n ALA 153 Ca -0.02 -0.68 -0.19 0.00 0.00 0.00 0.00 53.44 52.55 2qpq n ALA 153 Cb 0.23 -0.82 0.07 0.00 0.00 0.00 0.00 19.45 18.93 2qpq n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qpq n LYS 154 N 1.25 -3.42 -4.60 0.00 5.02 -0.27 -5.01 118.16 111.12 2qpq n LYS 154 Ca 0.14 0.77 -0.27 0.00 -2.02 0.00 0.00 58.31 56.93 2qpq n LYS 154 Cb 0.59 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.98 2qpq n LYS 154 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qpq s THR 155 N -3.43 1.79 -0.34 -0.18 -4.23 -0.05 -4.75 115.64 104.44 2qpq s THR 155 Ca 0.30 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.96 2qpq s THR 155 Cb -0.05 -2.90 0.46 0.00 1.34 0.00 0.00 72.50 71.34 2qpq s THR 155 CO 0.76 0.00 1.04 1.41 -0.54 0.00 0.00 174.62 177.29 2qpq n HIS 156 N -0.94 1.89 -1.85 3.99 8.25 0.77 -4.59 115.22 122.74 2qpq n HIS 156 Ca -0.06 -2.71 -0.42 0.00 -0.26 0.00 0.00 57.72 54.27 2qpq n HIS 156 Cb 0.67 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 2qpq n HIS 156 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2qpq s MET 157 N -3.39 4.18 -0.20 -0.41 -1.94 -1.26 -4.65 119.30 111.64 2qpq s MET 157 Ca 0.34 2.45 -0.25 0.00 -1.71 0.00 0.00 55.69 56.52 2qpq s MET 157 Cb 0.42 -3.25 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 2qpq s MET 157 CO -0.03 -0.69 0.83 0.08 -0.01 0.00 0.00 175.02 175.20 2qpq s VAL 158 N 1.56 4.86 0.18 -6.03 1.01 0.63 -4.91 120.40 117.70 2qpq s VAL 158 Ca 0.73 1.61 -0.31 0.00 0.00 0.00 0.00 61.98 64.01 2qpq s VAL 158 Cb -0.45 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 2qpq s VAL 158 CO 0.32 -0.01 1.53 -2.28 0.00 0.00 0.00 175.10 174.66 2qpq s HIS 159 N 2.41 3.07 -0.39 5.22 2.46 -1.26 -1.01 115.29 125.80 2qpq s HIS 159 Ca 0.37 0.73 0.03 0.00 0.47 0.00 0.00 55.06 56.66 2qpq s HIS 159 Cb -0.16 -3.88 0.11 0.00 -0.13 0.00 0.00 32.58 28.52 2qpq s HIS 159 CO 0.10 -3.18 0.13 0.08 -2.47 0.00 0.00 174.74 169.41 2qpq s VAL 160 N 0.92 1.91 0.62 0.89 1.01 0.18 -4.81 120.40 121.12 2qpq s VAL 160 Ca 0.67 -2.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.14 2qpq s VAL 160 Cb -0.43 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2qpq s VAL 160 CO 0.33 -0.70 1.05 -2.16 0.00 0.00 0.00 175.10 173.62 2qpq s PRO 161 N 0.73 3.31 0.00 2.72 0.04 -1.26 -3.51 135.00 137.02 2qpq s PRO 161 Ca 0.13 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2qpq s PRO 161 Cb -0.21 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2qpq s PRO 161 CO -0.09 -0.81 0.00 0.66 0.04 0.00 0.00 177.00 176.81 2qpq n TYR 162 N -2.38 0.00 -3.64 0.56 4.01 -1.25 -4.91 117.16 109.54 2qpq n TYR 162 Ca 0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.75 2qpq n TYR 162 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.49 2qpq n TYR 162 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2qpq s LYS 163 N -1.87 0.62 -0.46 -0.72 1.02 -1.26 -4.08 119.74 112.99 2qpq s LYS 163 Ca 0.00 1.01 0.04 0.00 0.02 0.00 0.00 55.97 57.04 2qpq s LYS 163 Cb 0.00 0.16 0.17 0.00 -0.52 0.00 0.00 37.83 37.63 2qpq s LYS 163 CO 0.00 -0.12 0.35 0.20 -0.92 0.00 0.00 175.35 174.86 2qpq s GLY 164 N 1.34 1.49 0.00 -3.33 0.00 -1.26 -4.53 107.32 101.03 2qpq s GLY 164 Ca -0.08 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 41.99 2qpq s GLY 164 CO -0.16 1.92 0.00 0.00 0.00 0.00 0.00 173.10 174.87 2qpq n GLY 166 N 0.00 -2.42 0.26 0.00 0.00 -1.26 0.12 105.19 101.89 2qpq n GLY 166 Ca 0.00 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.53 2qpq n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qpq h PRO 167 N 0.00 0.16 0.60 1.61 0.11 -1.91 1.07 132.00 133.64 2qpq h PRO 167 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2qpq h PRO 167 Cb 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.08 2qpq h PRO 167 CO 0.00 0.19 -0.29 0.00 -0.21 0.00 0.00 178.00 177.69 2qpq h ALA 168 N 1.83 -0.80 0.20 -0.75 0.00 -1.62 0.46 119.26 118.58 2qpq h ALA 168 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2qpq h ALA 168 Cb 0.13 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2qpq h ALA 168 CO 0.00 -0.83 -0.35 -0.07 0.00 0.00 0.00 179.25 178.01 2qpq h LEU 169 N -1.06 -0.98 -0.93 0.00 3.38 0.13 0.19 115.31 116.04 2qpq h LEU 169 Ca -0.08 0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.20 2qpq h LEU 169 Cb 0.67 0.36 -0.18 0.00 0.09 0.00 0.00 40.66 41.60 2qpq h LEU 169 CO 0.14 -0.45 -0.14 -3.20 0.09 0.00 0.00 178.44 174.87 2qpq n ASN 170 N -5.44 -0.25 0.09 -0.43 4.05 0.37 -1.08 115.26 112.56 2qpq n ASN 170 Ca -0.08 1.59 -0.07 0.00 0.45 0.00 0.00 54.58 56.47 2qpq n ASN 170 Cb 0.35 -0.52 0.03 0.00 1.23 0.00 0.00 39.78 40.87 2qpq n ASN 170 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2qpq h ASP 171 N 0.00 0.25 0.18 1.20 5.19 0.19 -3.27 116.42 120.16 2qpq h ASP 171 Ca 0.49 -0.18 -0.23 0.00 -0.62 0.00 0.00 57.03 56.48 2qpq h ASP 171 Cb 0.85 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.29 2qpq h ASP 171 CO -0.93 0.95 -0.94 1.62 -3.12 0.00 0.00 179.24 176.82 2qpq h VAL 172 N 0.12 1.35 -0.42 -1.35 3.04 0.93 0.16 116.25 120.07 2qpq h VAL 172 Ca -0.03 -2.31 0.06 0.00 -1.01 0.00 0.00 66.70 63.41 2qpq h VAL 172 Cb 1.40 2.34 -0.06 0.00 -2.01 0.00 0.00 31.29 32.96 2qpq h VAL 172 CO 0.12 0.70 0.09 -0.07 -1.01 0.00 0.00 177.57 177.41 2qpq h LEU 173 N 0.32 0.03 0.00 3.16 3.38 -1.21 -1.74 115.31 119.25 2qpq h LEU 173 Ca -0.09 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qpq h LEU 173 Cb 1.57 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2qpq h LEU 173 CO 0.17 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.37 2qpq n GLY 174 N -1.25 -1.08 2.71 0.83 0.00 -1.23 -4.90 105.19 100.27 2qpq n GLY 174 Ca 0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2qpq n GLY 174 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qpq n SER 175 N -1.13 -4.14 -1.26 1.61 7.64 -0.65 -4.97 113.62 110.72 2qpq n SER 175 Ca 0.18 -0.33 0.09 0.00 1.01 0.00 0.00 58.87 59.81 2qpq n SER 175 Cb 0.16 -3.24 0.30 0.00 -1.01 0.00 0.00 64.21 60.41 2qpq n SER 175 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qpq n GLN 176 N -3.16 3.41 0.00 1.43 3.00 0.54 -4.74 117.38 117.86 2qpq n GLN 176 Ca -0.03 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.25 2qpq n GLN 176 Cb 0.55 -1.75 0.00 0.00 0.00 0.00 0.00 30.24 29.04 2qpq n GLN 176 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 2qpq n ILE 177 N 0.70 0.00 0.00 5.09 0.13 -1.21 -4.90 119.36 119.17 2qpq n ILE 177 Ca 0.22 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.87 2qpq n ILE 177 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.59 2qpq n ILE 177 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qpq n GLY 178 N 0.16 2.99 3.64 4.50 0.00 -1.26 -4.75 105.19 110.47 2qpq n GLY 178 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2qpq n GLY 178 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qpq s LEU 179 N 0.00 -0.73 0.12 0.99 2.96 -1.26 -4.35 118.68 116.41 2qpq s LEU 179 Ca 0.00 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2qpq s LEU 179 Cb 0.00 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.86 2qpq s LEU 179 CO 0.00 -0.21 -0.02 0.00 -1.32 0.00 0.00 176.35 174.81 2qpq s ALA 180 N 0.99 1.03 -0.28 5.97 0.00 -0.37 -2.17 121.76 126.92 2qpq s ALA 180 Ca -0.05 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 2qpq s ALA 180 Cb -0.05 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.53 2qpq s ALA 180 CO -0.11 -0.33 0.02 0.08 0.00 0.00 0.00 175.76 175.43 2qpq s VAL 181 N -3.75 3.50 0.33 0.00 1.01 0.16 -0.69 120.40 120.97 2qpq s VAL 181 Ca 0.18 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2qpq s VAL 181 Cb 0.06 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2qpq s VAL 181 CO -0.01 0.12 0.08 0.68 0.00 0.00 0.00 175.10 175.96 2qpq s VAL 182 N 1.42 1.00 0.65 2.92 -7.23 -0.74 -3.74 120.40 114.68 2qpq s VAL 182 Ca 0.01 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 2qpq s VAL 182 Cb -0.17 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2qpq s VAL 182 CO -0.00 0.00 1.23 0.42 -0.31 0.00 0.00 175.10 176.43 2qpq s THR 183 N -3.33 2.40 0.41 5.32 -4.23 -1.26 -0.56 115.64 114.39 2qpq s THR 183 Ca 0.34 0.23 0.10 0.00 -1.18 0.00 0.00 61.69 61.18 2qpq s THR 183 Cb 0.07 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 71.12 2qpq s THR 183 CO 0.15 -0.07 1.98 0.00 -0.54 0.00 0.00 174.62 176.14 2qpq h ALA 184 N 0.43 1.62 -0.11 3.99 0.00 -0.76 -2.82 119.26 121.61 2qpq h ALA 184 Ca -0.50 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 2qpq h ALA 184 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2qpq h ALA 184 CO 0.53 0.28 -0.34 0.66 0.00 0.00 0.00 179.25 180.38 2qpq h SER 185 N 0.28 0.22 -0.31 0.00 4.64 -1.82 -1.71 113.55 114.85 2qpq h SER 185 Ca 0.06 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2qpq h SER 185 Cb 0.22 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2qpq h SER 185 CO 0.01 0.55 0.21 0.77 -0.87 0.00 0.00 176.83 177.50 2qpq h SER 186 N 0.19 0.29 0.00 4.97 4.64 -1.86 -3.35 113.55 118.42 2qpq h SER 186 Ca 0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2qpq h SER 186 Cb 0.70 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2qpq h SER 186 CO 0.05 0.20 -0.74 0.00 -0.87 0.00 0.00 176.83 175.47 2qpq n ALA 187 N -2.51 1.86 0.14 5.18 0.00 -0.99 -4.61 120.51 119.57 2qpq n ALA 187 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2qpq n ALA 187 Cb 0.14 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 2qpq n ALA 187 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qpq h ILE 188 N 0.00 0.33 -1.00 0.00 2.04 -1.46 -1.28 117.51 116.14 2qpq h ILE 188 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 2qpq h ILE 188 Cb 0.74 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 37.04 2qpq h ILE 188 CO 0.00 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 178.11 2qpq h PRO 189 N -0.57 0.66 -0.15 2.37 0.11 -1.84 0.14 132.00 132.72 2qpq h PRO 189 Ca 0.02 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 2qpq h PRO 189 Cb 0.57 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 2qpq h PRO 189 CO -0.15 0.43 -0.63 0.74 -0.21 0.00 0.00 178.00 178.18 2qpq h PHE 190 N 0.68 0.68 -0.39 0.65 0.04 -1.69 0.69 116.94 117.59 2qpq h PHE 190 Ca 0.60 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 61.06 2qpq h PHE 190 Cb 1.04 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 2qpq h PHE 190 CO -0.00 1.01 0.09 0.82 -0.60 0.00 0.00 178.31 179.62 2qpq h ILE 191 N 0.39 1.23 -0.57 -0.55 2.04 -0.01 0.53 117.51 120.57 2qpq h ILE 191 Ca -0.01 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 2qpq h ILE 191 Cb 1.19 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2qpq h ILE 191 CO 0.12 0.28 -0.01 0.11 0.00 0.00 0.00 178.15 178.64 2qpq h LYS 192 N 0.49 1.01 -0.86 2.37 1.79 -0.69 -2.54 116.57 118.14 2qpq h LYS 192 Ca 0.12 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2qpq h LYS 192 Cb 0.33 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2qpq h LYS 192 CO 0.00 1.00 0.03 0.00 -1.08 0.00 0.00 179.45 179.40 2qpq n ALA 193 N -2.48 3.09 -0.93 3.86 0.00 0.23 -4.88 120.51 119.39 2qpq n ALA 193 Ca 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 53.44 52.67 2qpq n ALA 193 Cb 0.35 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 2qpq n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpq n GLY 194 N 0.19 0.47 0.14 0.00 0.00 -0.90 -4.78 105.19 100.30 2qpq n GLY 194 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2qpq n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpq h LYS 195 N 0.00 0.00 -2.97 1.61 1.57 -0.18 -3.42 116.57 113.18 2qpq h LYS 195 Ca -0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2qpq h LYS 195 Cb 0.75 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.87 2qpq h LYS 195 CO 0.15 0.00 -0.23 -0.51 -0.57 0.00 0.00 179.45 178.28 2qpq s LEU 196 N -4.72 0.73 -0.19 2.94 1.43 -0.91 -3.67 118.68 114.29 2qpq s LEU 196 Ca 0.05 0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2qpq s LEU 196 Cb 0.10 1.38 -0.04 0.00 0.03 0.00 0.00 46.19 47.66 2qpq s LEU 196 CO 0.46 -0.47 0.05 -1.58 0.23 0.00 0.00 176.35 175.04 2qpq s GLN 197 N -1.40 3.87 -0.34 1.70 2.00 -0.65 -4.13 119.66 120.72 2qpq s GLN 197 Ca -0.13 -0.39 -0.21 0.00 -2.00 0.00 0.00 55.36 52.63 2qpq s GLN 197 Cb -0.05 -3.19 -0.00 0.00 0.80 0.00 0.00 33.01 30.57 2qpq s GLN 197 CO 0.04 0.18 0.65 0.00 -0.50 0.00 0.00 175.29 175.66 2qpq s ALA 198 N 0.61 3.48 0.22 1.58 0.00 -1.26 -1.22 121.76 125.18 2qpq s ALA 198 Ca 0.02 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.33 2qpq s ALA 198 Cb -0.13 -3.17 0.28 0.00 0.00 0.00 0.00 23.12 20.10 2qpq s ALA 198 CO 0.02 -1.27 1.56 -0.07 0.00 0.00 0.00 175.76 175.99 2qpq h LEU 199 N 9.35 0.00 -7.00 0.00 3.38 -0.56 -3.45 115.31 117.02 2qpq h LEU 199 Ca -0.26 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2qpq h LEU 199 Cb 1.11 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.63 2qpq h LEU 199 CO 0.83 0.66 0.54 0.00 0.09 0.00 0.00 178.44 180.56 2qpq s ALA 200 N -3.43 -1.93 0.17 1.53 0.00 -1.24 -4.05 121.76 112.81 2qpq s ALA 200 Ca -0.01 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.58 2qpq s ALA 200 Cb 0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2qpq s ALA 200 CO 0.76 -0.31 0.26 0.14 0.00 0.00 0.00 175.76 176.62 2qpq s VAL 201 N -1.06 5.13 -0.38 0.00 -7.23 -0.23 -1.58 120.40 115.05 2qpq s VAL 201 Ca -0.02 -0.82 0.23 0.00 -1.81 0.00 0.00 61.98 59.56 2qpq s VAL 201 Cb -0.01 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 2qpq s VAL 201 CO 0.02 -0.13 1.11 0.41 -0.31 0.00 0.00 175.10 176.19 2qpq n THR 202 N -0.64 0.49 -1.42 5.32 -1.04 -0.57 -1.56 114.28 114.87 2qpq n THR 202 Ca -0.07 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.05 61.19 2qpq n THR 202 Cb 0.55 -0.22 0.08 0.00 -1.82 0.00 0.00 70.33 68.92 2qpq n THR 202 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qpq s SER 203 N -4.89 4.84 0.31 8.00 1.04 -1.01 -0.59 113.70 121.40 2qpq s SER 203 Ca 0.02 1.67 0.02 0.00 0.48 0.00 0.00 55.95 58.14 2qpq s SER 203 Cb 0.11 -2.45 0.58 0.00 0.10 0.00 0.00 66.02 64.36 2qpq s SER 203 CO 0.78 -1.80 1.91 0.50 0.98 0.00 0.00 173.24 175.60 2qpq h LYS 204 N -0.97 0.93 -5.53 4.02 3.64 -1.85 -3.41 116.57 113.40 2qpq h LYS 204 Ca -0.44 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.32 2qpq h LYS 204 Cb 1.23 -0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 32.70 2qpq h LYS 204 CO 0.55 0.62 -0.62 -1.83 -2.27 0.00 0.00 179.45 175.89 2qpq s GLU 205 N -5.86 1.79 0.62 1.90 -1.05 -1.26 -4.96 118.70 109.89 2qpq s GLU 205 Ca -0.11 -1.98 -0.07 0.00 -0.15 0.00 0.00 54.97 52.65 2qpq s GLU 205 Cb 0.20 -1.34 0.01 0.00 -0.44 0.00 0.00 34.13 32.57 2qpq s GLU 205 CO 0.80 -0.06 0.95 1.03 0.95 0.00 0.00 175.26 178.93 2qpq s ARG 206 N -3.76 2.86 -0.23 -4.83 0.52 -1.26 -4.91 118.95 107.33 2qpq s ARG 206 Ca 0.34 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.56 2qpq s ARG 206 Cb 0.08 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2qpq s ARG 206 CO 0.16 -0.81 0.09 0.45 0.02 0.00 0.00 175.30 175.21 2qpq s SER 207 N -4.33 5.47 0.01 0.23 0.15 -1.26 -4.98 113.70 109.00 2qpq s SER 207 Ca 0.55 -0.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 2qpq s SER 207 Cb -0.11 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 2qpq s SER 207 CO 0.47 0.04 0.10 0.00 1.20 0.00 0.00 173.24 175.05 2qpq n ALA 208 N 4.45 -0.02 -0.03 5.45 0.00 -1.26 -0.35 120.51 128.75 2qpq n ALA 208 Ca -0.16 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.36 2qpq n ALA 208 Cb 0.52 -0.02 0.04 0.00 0.00 0.00 0.00 19.45 19.99 2qpq n ALA 208 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qpq n LEU 209 N -4.09 0.02 -3.20 0.00 4.77 -1.26 -4.19 117.00 109.05 2qpq n LEU 209 Ca 0.00 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.89 2qpq n LEU 209 Cb 0.02 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2qpq n LEU 209 CO -0.01 -0.15 -0.27 0.18 -1.33 0.00 0.00 177.39 175.82 2qpq n LEU 210 N -3.38 -0.23 0.27 2.23 4.77 0.52 -5.01 117.00 116.17 2qpq n LEU 210 Ca 0.03 -4.51 0.17 0.00 -0.03 0.00 0.00 56.01 51.67 2qpq n LEU 210 Cb 0.09 0.64 0.92 0.00 -2.33 0.00 0.00 43.42 42.74 2qpq n LEU 210 CO -0.00 2.02 1.14 1.55 -1.33 0.00 0.00 177.39 180.77 2qpq h PRO 211 N 4.36 0.00 0.00 3.23 0.13 -1.70 -2.76 132.00 135.26 2qpq h PRO 211 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qpq h PRO 211 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2qpq h PRO 211 CO 0.42 0.00 -0.67 0.93 -0.23 0.00 0.00 178.00 178.45 2qpq h GLU 212 N 0.00 0.00 -5.53 0.86 3.07 -1.95 -3.46 114.58 107.57 2qpq h GLU 212 Ca 0.03 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.29 2qpq h GLU 212 Cb 0.22 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.03 2qpq h GLU 212 CO -0.00 0.00 0.04 0.54 -1.40 0.00 0.00 179.01 178.19 2qpq s VAL 213 N -3.28 5.06 0.63 3.13 0.11 -1.04 -5.03 120.40 119.98 2qpq s VAL 213 Ca 0.03 1.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.95 2qpq s VAL 213 Cb 0.09 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2qpq s VAL 213 CO 0.74 0.12 1.09 -2.16 -3.33 0.00 0.00 175.10 171.56 2qpq s PRO 214 N 1.97 3.02 0.68 1.54 0.04 -1.26 -4.58 135.00 136.40 2qpq s PRO 214 Ca 0.25 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2qpq s PRO 214 Cb -0.16 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2qpq s PRO 214 CO 0.09 -1.07 1.14 0.99 0.04 0.00 0.00 177.00 178.20 2qpq s THR 215 N -2.34 2.92 0.15 1.26 2.01 -1.26 -1.06 115.64 117.32 2qpq s THR 215 Ca 0.66 0.44 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 2qpq s THR 215 Cb -0.19 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2qpq s THR 215 CO 0.39 -0.25 1.81 0.58 -0.69 0.00 0.00 174.62 176.45 2qpq h VAL 216 N -0.04 1.10 -0.77 3.82 2.07 -1.52 -3.05 116.25 117.86 2qpq h VAL 216 Ca -0.47 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 66.98 2qpq h VAL 216 Cb 1.26 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 2qpq h VAL 216 CO 0.53 0.10 0.35 0.00 0.02 0.00 0.00 177.57 178.56 2qpq h ALA 217 N 1.13 1.10 0.00 1.67 0.00 -1.76 -0.27 119.26 121.13 2qpq h ALA 217 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qpq h ALA 217 Cb -0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qpq h ALA 217 CO -0.03 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.47 2qpq n GLU 218 N -4.94 0.10 -0.85 0.00 1.02 -1.16 -3.43 120.64 111.39 2qpq n GLU 218 Ca 0.14 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.70 2qpq n GLU 218 Cb 0.39 -1.70 0.39 0.00 -0.02 0.00 0.00 31.44 30.50 2qpq n GLU 218 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2qpq n GLN 219 N -1.89 4.68 -3.73 3.49 6.02 -0.14 -4.92 117.38 120.89 2qpq n GLN 219 Ca 0.03 -3.13 -0.28 0.00 -0.01 0.00 0.00 57.00 53.61 2qpq n GLN 219 Cb 0.20 -2.22 -0.11 0.00 1.02 0.00 0.00 30.24 29.13 2qpq n GLN 219 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qpq n GLY 220 N 0.50 3.42 3.42 1.08 0.00 -1.25 -4.80 105.19 107.57 2qpq n GLY 220 Ca 0.27 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 2qpq n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpq s VAL 221 N -0.99 4.58 0.57 1.61 1.01 -1.03 -5.00 120.40 121.14 2qpq s VAL 221 Ca 0.28 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2qpq s VAL 221 Cb -0.01 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 2qpq s VAL 221 CO -0.18 -1.26 1.03 0.00 0.00 0.00 0.00 175.10 174.70 2qpq s ALA 222 N 3.37 2.86 0.00 5.51 0.00 -1.26 -3.61 121.76 128.62 2qpq s ALA 222 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2qpq s ALA 222 Cb -0.20 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2qpq s ALA 222 CO 0.09 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2qpq n GLY 223 N -1.22 0.47 3.17 0.00 0.00 -1.26 -5.00 105.19 101.35 2qpq n GLY 223 Ca 0.08 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2qpq n GLY 223 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qpq s TYR 224 N -2.00 3.23 -0.23 1.61 6.14 -1.25 -5.05 117.35 119.79 2qpq s TYR 224 Ca 0.00 -1.84 -0.08 0.00 0.64 0.00 0.00 57.07 55.80 2qpq s TYR 224 Cb 0.00 -2.09 0.10 0.00 0.42 0.00 0.00 41.96 40.40 2qpq s TYR 224 CO 0.00 -0.79 0.49 -1.83 0.64 0.00 0.00 175.55 174.06 2qpq s GLU 225 N 1.26 0.41 -0.06 4.97 -1.05 -1.26 -4.38 118.70 118.59 2qpq s GLU 225 Ca -0.05 1.17 -0.01 0.00 -0.15 0.00 0.00 54.97 55.93 2qpq s GLU 225 Cb -0.19 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 2qpq s GLU 225 CO -0.02 -0.24 0.00 -0.51 0.95 0.00 0.00 175.26 175.45 2qpq s LEU 226 N 2.71 0.66 -0.04 1.83 2.01 0.24 -4.95 118.68 121.15 2qpq s LEU 226 Ca -0.03 -0.06 -0.01 0.00 0.01 0.00 0.00 54.13 54.04 2qpq s LEU 226 Cb -0.12 -0.39 0.03 0.00 0.01 0.00 0.00 46.19 45.72 2qpq s LEU 226 CO -0.15 -0.18 0.02 0.21 1.01 0.00 0.00 176.35 177.27 2qpq s ASN 227 N 1.80 0.72 -0.47 2.29 3.84 -1.26 -2.40 114.94 119.46 2qpq s ASN 227 Ca 0.02 0.01 -0.28 0.00 0.21 0.00 0.00 52.86 52.82 2qpq s ASN 227 Cb -0.13 -0.20 0.03 0.00 -0.55 0.00 0.00 41.25 40.40 2qpq s ASN 227 CO -0.04 -0.16 1.07 -1.58 -2.79 0.00 0.00 177.10 173.60 2qpq s GLN 228 N 1.48 3.67 0.65 0.43 0.74 -0.56 -4.92 119.66 121.15 2qpq s GLN 228 Ca -0.03 0.44 -0.11 0.00 0.05 0.00 0.00 55.36 55.71 2qpq s GLN 228 Cb -0.13 -3.91 -0.01 0.00 1.10 0.00 0.00 33.01 30.06 2qpq s GLN 228 CO -0.03 -1.33 1.04 1.67 -0.55 0.00 0.00 175.29 176.10 2qpq s TRP 229 N 4.22 3.46 -0.22 1.67 1.48 -1.26 -1.21 118.94 127.08 2qpq s TRP 229 Ca 0.44 1.12 -0.04 0.00 -1.06 0.00 0.00 56.10 56.57 2qpq s TRP 229 Cb -0.08 -2.87 0.11 0.00 -1.16 0.00 0.00 33.47 29.48 2qpq s TRP 229 CO 0.30 -0.91 0.33 -1.01 -4.06 0.00 0.00 176.95 171.60 2qpq s HIS 230 N -3.24 -0.66 0.11 1.66 3.76 -0.58 -1.73 115.29 114.61 2qpq s HIS 230 Ca 0.56 0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 56.19 2qpq s HIS 230 Cb -0.11 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.54 2qpq s HIS 230 CO 0.52 -0.64 0.21 0.41 -0.85 0.00 0.00 174.74 174.39 2qpq n GLY 231 N 5.35 1.81 3.22 -2.22 0.00 -0.89 0.18 105.19 112.65 2qpq n GLY 231 Ca -0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2qpq n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpq s LEU 232 N 0.00 2.02 0.23 0.99 1.43 0.17 -1.46 118.68 122.06 2qpq s LEU 232 Ca 0.05 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2qpq s LEU 232 Cb -0.01 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 2qpq s LEU 232 CO 0.03 0.21 -0.22 -0.76 0.23 0.00 0.00 176.35 175.84 2qpq s LEU 233 N -0.03 2.50 0.42 1.79 1.43 -0.32 0.79 118.68 125.26 2qpq s LEU 233 Ca -0.06 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2qpq s LEU 233 Cb -0.14 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2qpq s LEU 233 CO 0.04 0.08 0.03 0.68 0.23 0.00 0.00 176.35 177.41 2qpq s VAL 234 N -2.03 1.42 0.37 -1.59 -7.23 0.25 -0.87 120.40 110.72 2qpq s VAL 234 Ca 0.24 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.15 2qpq s VAL 234 Cb -0.07 -2.65 -0.12 0.00 0.56 0.00 0.00 36.38 34.10 2qpq s VAL 234 CO 0.12 0.00 1.01 -2.65 -0.31 0.00 0.00 175.10 173.27 2qpq n PRO 235 N -0.98 1.38 -0.34 4.82 -0.02 -1.26 -1.02 135.00 137.59 2qpq n PRO 235 Ca -0.08 0.49 0.27 0.00 -2.02 0.00 0.00 63.50 62.16 2qpq n PRO 235 Cb 0.67 -1.97 0.52 0.00 -0.02 0.00 0.00 33.50 32.69 2qpq n PRO 235 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2qpq h GLY 236 N 1.75 2.01 -1.52 -1.23 0.00 -0.97 -1.57 103.07 101.54 2qpq h GLY 236 Ca -0.43 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2qpq h GLY 236 CO 0.58 -0.54 0.00 0.00 0.00 0.00 0.00 176.54 176.58 2qpq n ALA 237 N -2.31 2.44 -1.96 3.60 0.00 -1.26 -4.59 120.51 116.42 2qpq n ALA 237 Ca 0.33 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2qpq n ALA 237 Cb 1.09 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 2qpq n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qpq s THR 238 N -1.45 3.16 0.28 0.00 2.01 -0.59 -4.92 115.64 114.13 2qpq s THR 238 Ca 0.28 0.57 -0.28 0.00 0.31 0.00 0.00 61.69 62.58 2qpq s THR 238 Cb 0.15 -3.37 -0.15 0.00 0.01 0.00 0.00 72.50 69.15 2qpq s THR 238 CO 0.19 -0.01 0.85 -2.65 -0.69 0.00 0.00 174.62 172.32 2qpq n PRO 239 N 5.70 0.96 -0.31 4.92 -0.02 -1.26 -4.80 135.00 140.19 2qpq n PRO 239 Ca 0.16 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 2qpq n PRO 239 Cb 0.41 -1.62 0.19 0.00 -0.02 0.00 0.00 33.50 32.47 2qpq n PRO 239 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2qpq h MET 240 N 1.64 0.82 -0.84 -0.52 4.05 -1.99 -1.83 114.93 116.27 2qpq h MET 240 Ca -0.37 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.03 2qpq h MET 240 Cb 1.37 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.94 2qpq h MET 240 CO 0.59 0.54 0.56 0.00 0.23 0.00 0.00 176.91 178.83 2qpq h ALA 241 N 1.49 1.46 -0.22 0.39 0.00 -1.98 0.62 119.26 121.01 2qpq h ALA 241 Ca 0.43 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2qpq h ALA 241 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qpq h ALA 241 CO -0.26 0.47 0.02 0.28 0.00 0.00 0.00 179.25 179.77 2qpq h VAL 242 N 1.07 1.24 -0.84 0.00 2.07 -1.79 0.11 116.25 118.12 2qpq h VAL 242 Ca 0.33 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2qpq h VAL 242 Cb -0.02 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2qpq h VAL 242 CO -0.09 0.25 0.55 0.03 0.02 0.00 0.00 177.57 178.33 2qpq h ARG 243 N 0.17 0.85 -0.12 1.57 3.08 -0.43 0.30 114.38 119.81 2qpq h ARG 243 Ca 0.07 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2qpq h ARG 243 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2qpq h ARG 243 CO 0.01 0.57 -0.40 0.37 -1.07 0.00 0.00 179.97 179.45 2qpq h GLN 244 N 0.88 0.47 -0.57 0.04 5.75 0.30 0.52 115.11 122.51 2qpq h GLN 244 Ca 0.37 -0.35 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2qpq h GLN 244 Cb 0.30 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 2qpq h GLN 244 CO -0.14 0.98 0.33 -0.22 -2.65 0.00 0.00 178.83 177.13 2qpq h LYS 245 N 0.06 0.63 -0.51 1.69 1.63 -0.30 0.10 116.57 119.87 2qpq h LYS 245 Ca -0.02 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 2qpq h LYS 245 Cb 1.03 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 2qpq h LYS 245 CO 0.08 0.41 0.13 -0.07 -3.45 0.00 0.00 179.45 176.56 2qpq h LEU 246 N 0.65 0.76 0.21 5.20 3.38 -0.90 -2.05 115.31 122.55 2qpq h LEU 246 Ca 0.24 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qpq h LEU 246 Cb 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2qpq h LEU 246 CO -0.12 0.79 -0.49 0.22 0.09 0.00 0.00 178.44 178.93 2qpq h TYR 247 N 0.70 -1.40 -0.69 1.13 5.03 -0.31 -2.79 116.97 118.64 2qpq h TYR 247 Ca 0.16 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.63 2qpq h TYR 247 Cb 0.32 0.58 -0.13 0.00 1.55 0.00 0.00 36.73 39.05 2qpq h TYR 247 CO 0.02 -0.59 -0.28 -0.44 -1.32 0.00 0.00 178.16 175.55 2qpq h ASP 248 N -0.79 -0.99 -0.03 -2.11 3.32 -0.91 -0.33 116.42 114.57 2qpq h ASP 248 Ca -0.01 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2qpq h ASP 248 Cb 0.77 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2qpq h ASP 248 CO -0.22 -0.28 -0.02 0.61 -1.72 0.00 0.00 179.24 177.61 2qpq n GLY 249 N -1.46 -0.74 0.01 2.75 0.00 -0.78 -2.83 105.19 102.14 2qpq n GLY 249 Ca 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 2qpq n GLY 249 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qpq n ILE 250 N -2.52 0.15 -0.31 -0.61 5.41 -0.26 -2.94 119.36 118.28 2qpq n ILE 250 Ca 0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.65 2qpq n ILE 250 Cb 0.01 -0.84 0.10 0.00 -0.71 0.00 0.00 39.64 38.20 2qpq n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qpq h ALA 251 N 0.07 1.11 -0.87 -1.39 0.00 -1.24 -1.53 119.26 115.40 2qpq h ALA 251 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qpq h ALA 251 Cb 1.12 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2qpq h ALA 251 CO -0.00 0.42 0.55 0.87 0.00 0.00 0.00 179.25 181.09 2qpq h LYS 252 N 1.09 1.16 -0.72 0.00 1.79 -1.40 -0.96 116.57 117.53 2qpq h LYS 252 Ca 0.33 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.67 2qpq h LYS 252 Cb -0.04 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.33 2qpq h LYS 252 CO -0.10 0.79 0.27 0.28 -1.08 0.00 0.00 179.45 179.62 2qpq h VAL 253 N 1.19 1.25 0.00 0.50 2.07 -1.41 -2.96 116.25 116.89 2qpq h VAL 253 Ca 0.32 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 2qpq h VAL 253 Cb -0.09 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2qpq h VAL 253 CO -0.06 0.32 -0.42 0.24 0.02 0.00 0.00 177.57 177.67 2qpq h MET 254 N 1.04 0.00 -0.16 1.57 2.86 -0.31 -3.06 114.93 116.87 2qpq h MET 254 Ca 0.24 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 2qpq h MET 254 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2qpq h MET 254 CO -0.02 0.42 -0.48 1.96 1.06 0.00 0.00 176.91 179.85 2qpq h GLN 255 N 0.00 0.42 -5.02 1.72 4.20 -1.06 -3.29 115.11 112.08 2qpq h GLN 255 Ca -0.00 -0.24 -0.67 0.00 0.06 0.00 0.00 58.65 57.80 2qpq h GLN 255 Cb 0.83 0.02 0.04 0.00 0.30 0.00 0.00 27.48 28.66 2qpq h GLN 255 CO 0.05 0.81 0.11 0.54 -0.67 0.00 0.00 178.83 179.68 2qpq n ARG 256 N -3.98 0.00 -0.15 1.46 1.74 -1.15 -4.54 116.66 110.05 2qpq n ARG 256 Ca -0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.00 2qpq n ARG 256 Cb 0.55 -1.26 0.03 0.00 -1.02 0.00 0.00 32.46 30.77 2qpq n ARG 256 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2qpq h ASP 257 N 2.70 0.33 -0.89 0.55 3.45 -1.90 1.97 116.42 122.63 2qpq h ASP 257 Ca -0.42 0.02 0.16 0.00 0.43 0.00 0.00 57.03 57.22 2qpq h ASP 257 Cb 1.19 -0.04 -0.10 0.00 -0.56 0.00 0.00 39.33 39.82 2qpq h ASP 257 CO 0.57 0.24 0.47 -0.78 -1.57 0.00 0.00 179.24 178.17 2qpq h ASP 258 N 0.46 0.57 0.00 6.45 1.82 -1.96 0.74 116.42 124.50 2qpq h ASP 258 Ca 0.20 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2qpq h ASP 258 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2qpq h ASP 258 CO -0.14 0.22 -0.11 0.58 -1.61 0.00 0.00 179.24 178.19 2qpq h VAL 259 N 0.64 0.00 -0.96 2.25 2.07 -1.60 -2.76 116.25 115.90 2qpq h VAL 259 Ca 0.49 -0.84 0.29 0.00 0.82 0.00 0.00 66.70 67.46 2qpq h VAL 259 Cb 0.73 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.33 2qpq h VAL 259 CO -0.38 0.00 0.20 1.56 0.02 0.00 0.00 177.57 178.98 2qpq h GLN 260 N -0.84 0.07 -0.21 1.57 1.08 0.31 0.29 115.11 117.38 2qpq h GLN 260 Ca 0.00 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2qpq h GLN 260 Cb 0.11 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2qpq h GLN 260 CO 0.00 0.05 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.26 2qpq h LYS 261 N 0.07 0.67 -0.02 1.46 3.11 -0.98 0.14 116.57 121.03 2qpq h LYS 261 Ca 0.64 -0.45 -0.12 0.00 -2.81 0.00 0.00 60.65 57.91 2qpq h LYS 261 Cb 1.41 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.68 2qpq h LYS 261 CO -0.80 1.07 -0.57 -0.22 -2.81 0.00 0.00 179.45 176.11 2qpq h LYS 262 N 0.37 0.05 0.05 1.90 3.64 -0.92 0.29 116.57 121.95 2qpq h LYS 262 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2qpq h LYS 262 Cb 1.06 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2qpq h LYS 262 CO 0.10 0.61 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.15 2qpq h LEU 263 N 0.04 0.51 -0.86 5.20 4.07 -0.23 0.40 115.31 124.45 2qpq h LEU 263 Ca -0.00 -0.82 0.10 0.00 0.08 0.00 0.00 57.88 57.24 2qpq h LEU 263 Cb 1.02 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 42.53 2qpq h LEU 263 CO 0.08 1.28 0.50 0.00 -1.08 0.00 0.00 178.44 179.22 2qpq h ALA 264 N 0.25 1.25 0.00 1.53 0.00 -0.76 0.14 119.26 121.67 2qpq h ALA 264 Ca -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qpq h ALA 264 Cb 1.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2qpq h ALA 264 CO 0.13 0.12 -0.18 0.22 0.00 0.00 0.00 179.25 179.53 2qpq h ASP 265 N 0.82 0.00 0.23 0.00 1.82 -0.62 -2.56 116.42 116.11 2qpq h ASP 265 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 2qpq h ASP 265 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2qpq h ASP 265 CO -0.26 0.18 -0.41 -0.11 -1.61 0.00 0.00 179.24 177.03 2qpq n LEU 266 N -4.04 1.08 0.00 2.28 -0.00 0.10 -4.93 117.00 111.49 2qpq n LEU 266 Ca -0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 2qpq n LEU 266 Cb 0.26 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2qpq n LEU 266 CO 0.34 0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 2qpq n GLY 267 N 1.40 1.09 3.79 -3.96 0.00 -0.97 -4.55 105.19 102.00 2qpq n GLY 267 Ca 0.10 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2qpq n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qpq s TYR 268 N -2.00 3.60 -0.56 1.61 2.02 0.47 -4.64 117.35 117.84 2qpq s TYR 268 Ca 0.00 0.83 -0.23 0.00 -0.37 0.00 0.00 57.07 57.30 2qpq s TYR 268 Cb 0.00 -2.33 0.05 0.00 -0.40 0.00 0.00 41.96 39.28 2qpq s TYR 268 CO 0.00 0.44 0.89 0.45 -1.57 0.00 0.00 175.55 175.76 2qpq s SER 269 N -0.31 6.29 0.26 2.29 0.15 -0.79 -3.51 113.70 118.09 2qpq s SER 269 Ca 0.21 -0.56 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 2qpq s SER 269 Cb -0.15 -2.41 -0.11 0.00 -1.71 0.00 0.00 66.02 61.64 2qpq s SER 269 CO 0.09 -1.20 1.58 -0.89 1.20 0.00 0.00 173.24 174.02 2qpq s THR 270 N 3.73 2.23 0.32 6.45 2.01 -1.26 -2.52 115.64 126.60 2qpq s THR 270 Ca 0.26 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.49 2qpq s THR 270 Cb -0.14 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2qpq s THR 270 CO 0.16 0.03 0.15 0.00 -0.69 0.00 0.00 174.62 174.27 2qpq s ALA 271 N 0.26 2.07 -0.36 7.40 0.00 -1.26 -4.98 121.76 124.90 2qpq s ALA 271 Ca 0.65 -1.73 0.14 0.00 0.00 0.00 0.00 51.96 51.02 2qpq s ALA 271 Cb -0.46 1.10 0.41 0.00 0.00 0.00 0.00 23.12 24.16 2qpq s ALA 271 CO 0.43 -0.49 0.96 0.43 0.00 0.00 0.00 175.76 177.09 2qpq n SER 272 N -0.97 0.48 -4.65 0.00 7.64 -1.25 -4.47 113.62 110.40 2qpq n SER 272 Ca 0.00 -2.85 -0.43 0.00 1.01 0.00 0.00 58.87 56.61 2qpq n SER 272 Cb 0.65 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2qpq n SER 272 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2qpq s ASP 273 N -2.49 6.54 0.24 6.43 1.01 -1.26 -4.96 116.67 122.17 2qpq s ASP 273 Ca 0.30 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.49 2qpq s ASP 273 Cb 0.40 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2qpq s ASP 273 CO -0.02 -1.08 0.00 0.61 0.21 0.00 0.00 175.17 174.89 2qpq n GLY 274 N 4.35 -0.42 0.00 0.21 0.00 -1.26 -2.28 105.19 105.80 2qpq n GLY 274 Ca 0.18 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2qpq n GLY 274 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qpq n PRO 275 N -0.28 0.00 -0.30 1.61 -0.02 -0.91 -0.64 135.00 134.46 2qpq n PRO 275 Ca 0.00 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 2qpq n PRO 275 Cb 0.00 -1.28 0.23 0.00 -0.02 0.00 0.00 33.50 32.43 2qpq n PRO 275 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qpq h GLU 276 N 0.00 0.66 -0.07 -0.52 5.08 -1.90 0.70 114.58 118.53 2qpq h GLU 276 Ca 0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2qpq h GLU 276 Cb 0.00 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.11 2qpq h GLU 276 CO 0.00 0.44 -0.66 0.28 -1.00 0.00 0.00 179.01 178.07 2qpq h VAL 277 N 0.68 1.35 -0.16 3.13 2.07 -1.93 -1.55 116.25 119.85 2qpq h VAL 277 Ca 0.47 -1.98 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 2qpq h VAL 277 Cb 0.63 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2qpq h VAL 277 CO -0.34 0.60 -0.38 0.15 0.02 0.00 0.00 177.57 177.62 2qpq h PHE 278 N 0.19 0.41 0.46 1.57 3.57 -0.38 -0.72 116.94 122.04 2qpq h PHE 278 Ca -0.06 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 2qpq h PHE 278 Cb 1.32 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2qpq h PHE 278 CO 0.11 0.69 -0.22 0.37 -2.23 0.00 0.00 178.31 177.03 2qpq h GLN 279 N 0.30 -0.60 -0.85 1.11 5.75 0.49 -1.31 115.11 119.99 2qpq h GLN 279 Ca 0.03 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.77 2qpq h GLN 279 Cb 0.81 0.14 -0.12 0.00 1.07 0.00 0.00 27.48 29.37 2qpq h GLN 279 CO 0.06 -0.30 0.33 -0.22 -2.65 0.00 0.00 178.83 176.06 2qpq h LYS 280 N -0.87 0.36 0.00 1.69 3.64 -1.31 -1.57 116.57 118.50 2qpq h LYS 280 Ca -0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2qpq h LYS 280 Cb 0.57 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qpq h LYS 280 CO 0.10 0.24 0.00 -0.12 -2.27 0.00 0.00 179.45 177.40 2qpq n MET 281 N -5.07 0.00 -0.12 1.90 1.56 -0.28 -2.39 117.12 112.72 2qpq n MET 281 Ca 0.20 0.01 0.03 0.00 -0.27 0.00 0.00 57.70 57.67 2qpq n MET 281 Cb 0.59 -0.52 0.07 0.00 2.15 0.00 0.00 33.22 35.51 2qpq n MET 281 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2qpq n VAL 282 N -0.03 -0.14 0.38 1.12 0.31 -0.51 -0.70 118.33 118.76 2qpq n VAL 282 Ca 0.00 0.76 -0.15 0.00 -0.01 0.00 0.00 64.34 64.93 2qpq n VAL 282 Cb 0.00 -1.07 -0.07 0.00 -0.91 0.00 0.00 33.84 31.78 2qpq n VAL 282 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2qpq h GLU 283 N 0.00 -0.96 -0.89 5.55 5.08 -1.34 -0.25 114.58 121.78 2qpq h GLU 283 Ca 0.18 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.78 2qpq h GLU 283 Cb 0.32 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 2qpq h GLU 283 CO -0.33 -0.64 0.58 1.79 -1.00 0.00 0.00 179.01 179.41 2qpq h THR 284 N -1.18 0.74 -0.10 1.13 1.35 -0.54 0.10 112.91 114.42 2qpq h THR 284 Ca -0.10 -0.18 -0.17 0.00 -0.55 0.00 0.00 66.41 65.41 2qpq h THR 284 Cb 0.76 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 2qpq h THR 284 CO 0.17 0.09 -0.66 0.44 -0.25 0.00 0.00 175.52 175.32 2qpq h ASP 285 N 0.52 0.45 -0.17 5.36 5.19 -1.34 -0.62 116.42 125.82 2qpq h ASP 285 Ca 0.46 -0.27 0.02 0.00 -0.62 0.00 0.00 57.03 56.62 2qpq h ASP 285 Cb 0.97 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 2qpq h ASP 285 CO -0.19 0.98 0.04 0.40 -3.12 0.00 0.00 179.24 177.35 2qpq h ILE 286 N 0.28 0.94 0.26 0.35 2.04 0.10 -1.21 117.51 120.28 2qpq h ILE 286 Ca -0.02 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2qpq h ILE 286 Cb 1.20 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2qpq h ILE 286 CO 0.11 0.02 -0.33 0.44 0.00 0.00 0.00 178.15 178.39 2qpq h ASP 287 N 0.12 -0.91 -0.84 1.72 3.32 -1.05 -0.55 116.42 118.23 2qpq h ASP 287 Ca 0.07 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2qpq h ASP 287 Cb 0.06 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2qpq h ASP 287 CO -0.09 -0.45 0.48 0.08 -1.72 0.00 0.00 179.24 177.54 2qpq h ARG 288 N -0.64 1.16 -0.25 3.56 0.11 -1.11 -1.48 114.38 115.73 2qpq h ARG 288 Ca -0.00 -0.13 -0.14 0.00 0.10 0.00 0.00 59.98 59.81 2qpq h ARG 288 Cb 0.61 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2qpq h ARG 288 CO -0.10 0.84 -0.42 0.74 0.10 0.00 0.00 179.97 181.12 2qpq h PHE 289 N 1.16 0.72 -0.51 4.08 0.04 -1.03 -2.34 116.94 119.05 2qpq h PHE 289 Ca 0.30 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 2qpq h PHE 289 Cb 0.00 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 2qpq h PHE 289 CO 0.00 0.92 0.21 0.77 -0.60 0.00 0.00 178.31 179.62 2qpq h SER 290 N 0.49 0.70 -0.92 2.17 0.02 -0.84 -0.64 113.55 114.52 2qpq h SER 290 Ca 0.04 -0.16 0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2qpq h SER 290 Cb 0.94 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 2qpq h SER 290 CO 0.08 0.67 0.60 0.00 -1.14 0.00 0.00 176.83 177.04 2qpq h ALA 291 N 1.06 1.56 0.07 3.77 0.00 -0.98 0.16 119.26 124.89 2qpq h ALA 291 Ca 0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 2qpq h ALA 291 Cb 0.18 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qpq h ALA 291 CO -0.02 0.27 -1.14 1.25 0.00 0.00 0.00 179.25 179.62 2qpq h LEU 292 N 0.98 0.79 -0.62 0.00 5.85 -1.21 -1.83 115.31 119.27 2qpq h LEU 292 Ca 0.42 -0.69 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2qpq h LEU 292 Cb 0.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2qpq h LEU 292 CO -0.18 1.50 -0.24 0.00 -0.34 0.00 0.00 178.44 179.18 2qpq h THR 293 N 0.28 0.49 0.01 1.05 1.03 -0.73 -2.04 112.91 113.00 2qpq h THR 293 Ca -0.15 -1.36 -0.21 0.00 -0.01 0.00 0.00 66.41 64.69 2qpq h THR 293 Cb 1.80 1.97 0.02 0.00 -1.07 0.00 0.00 68.15 70.87 2qpq h THR 293 CO 0.21 0.24 -0.81 0.50 -0.01 0.00 0.00 175.52 175.65 2qpq h LYS 294 N 0.00 0.54 -0.80 0.00 3.64 -0.77 0.13 116.57 119.31 2qpq h LYS 294 Ca -0.00 -0.59 0.12 0.00 -1.27 0.00 0.00 60.65 58.91 2qpq h LYS 294 Cb 0.95 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 2qpq h LYS 294 CO 0.03 1.21 0.52 0.37 -2.27 0.00 0.00 179.45 179.32 2qpq h GLN 295 N 0.11 0.60 -0.07 1.90 4.15 -1.00 -3.02 115.11 117.77 2qpq h GLN 295 Ca -0.10 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2qpq h GLN 295 Cb 1.50 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.06 2qpq h GLN 295 CO 0.16 0.39 0.00 0.44 -1.93 0.00 0.00 178.83 177.89 2qpq n ILE 296 N -4.51 0.22 -2.94 2.39 -6.64 -0.80 -5.03 119.36 102.04 2qpq n ILE 296 Ca 0.15 -0.61 -0.11 0.00 -1.77 0.00 0.00 62.75 60.40 2qpq n ILE 296 Cb 0.43 1.05 0.06 0.00 -1.44 0.00 0.00 39.64 39.73 2qpq n ILE 296 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qpq n GLY 297 N 0.51 -0.06 3.49 3.28 0.00 -0.82 -5.01 105.19 106.57 2qpq n GLY 297 Ca 0.07 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2qpq n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qpq s LEU 298 N -4.81 4.26 0.09 0.99 2.96 -0.03 -5.04 118.68 117.09 2qpq s LEU 298 Ca 0.04 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2qpq s LEU 298 Cb -0.02 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2qpq s LEU 298 CO 0.47 -0.19 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.56 2qpq s LYS 299 N 1.67 1.17 -0.18 1.98 -0.14 -1.26 -4.18 119.74 118.80 2qpq s LYS 299 Ca 0.05 -1.09 -0.10 0.00 -1.36 0.00 0.00 55.97 53.48 2qpq s LYS 299 Cb -0.17 -1.38 -0.08 0.00 -1.68 0.00 0.00 37.83 34.52 2qpq s LYS 299 CO 0.08 0.33 -0.24 0.28 -0.76 0.00 0.00 175.35 175.04 2qpq n VAL 300 N 1.30 1.05 1.64 3.17 0.31 0.28 -5.01 118.33 121.06 2qpq n VAL 300 Ca -0.19 -0.22 0.13 0.00 -0.01 0.00 0.00 64.34 64.05 2qpq n VAL 300 Cb 0.54 -1.78 0.78 0.00 -0.91 0.00 0.00 33.84 32.46 2qpq n VAL 300 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61