#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upf n GLU 22 N 0.00 -0.04 -0.24 2.61 2.13 -1.26 0.64 120.64 124.47 1upf n GLU 22 Ca 0.00 0.81 -0.05 0.00 0.66 0.00 0.00 57.16 58.58 1upf n GLU 22 Cb 0.00 -1.26 0.09 0.00 0.27 0.00 0.00 31.44 30.55 1upf n GLU 22 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1upf h GLU 23 N 0.00 1.10 -0.27 5.31 4.22 -2.01 0.88 114.58 123.81 1upf h GLU 23 Ca 0.30 -0.22 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1upf h GLU 23 Cb 0.55 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1upf h GLU 23 CO -0.52 0.93 0.02 0.66 -2.18 0.00 0.00 179.01 177.91 1upf h SER 24 N 1.06 0.36 0.50 1.04 4.64 -0.24 -2.62 113.55 118.28 1upf h SER 24 Ca 0.23 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1upf h SER 24 Cb 0.28 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1upf h SER 24 CO -0.01 0.41 -0.24 0.40 -0.87 0.00 0.00 176.83 176.52 1upf h ILE 25 N 0.38 0.00 -0.04 0.95 2.04 -0.24 -2.50 117.51 118.11 1upf h ILE 25 Ca 0.09 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1upf h ILE 25 Cb 0.23 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1upf h ILE 25 CO 0.00 0.00 0.16 -0.07 0.00 0.00 0.00 178.15 178.24 1upf h LEU 26 N -0.90 0.00 0.24 1.44 -0.00 -1.05 -2.29 115.31 112.74 1upf h LEU 26 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1upf h LEU 26 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1upf h LEU 26 CO 0.11 0.00 -0.12 -0.61 -0.00 0.00 0.00 178.44 177.83 1upf h GLN 27 N 0.00 -0.31 0.04 1.13 5.75 -1.37 -2.35 115.11 117.99 1upf h GLN 27 Ca 0.02 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1upf h GLN 27 Cb 0.34 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 1upf h GLN 27 CO -0.00 0.06 -0.26 0.22 -2.65 0.00 0.00 178.83 176.19 1upf h ASP 28 N -0.83 -0.77 -0.72 -0.69 3.58 -0.95 0.10 116.42 116.14 1upf h ASP 28 Ca -0.03 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1upf h ASP 28 Cb 0.51 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 1upf h ASP 28 CO 0.05 -0.34 0.25 0.16 -2.88 0.00 0.00 179.24 176.48 1upf h ILE 29 N -0.43 1.26 -0.04 2.25 -2.65 -1.65 1.80 117.51 118.04 1upf h ILE 29 Ca 0.05 -0.86 -0.04 0.00 1.03 0.00 0.00 64.86 65.04 1upf h ILE 29 Cb 0.49 0.45 -0.01 0.00 -2.05 0.00 0.00 36.82 35.71 1upf h ILE 29 CO -0.20 0.34 -0.15 0.40 0.03 0.00 0.00 178.15 178.57 1upf h ILE 30 N 1.06 1.13 0.16 0.16 2.04 -1.13 0.95 117.51 121.89 1upf h ILE 30 Ca 0.24 -0.60 -0.26 0.00 1.00 0.00 0.00 64.86 65.23 1upf h ILE 30 Cb 0.27 1.27 0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1upf h ILE 30 CO -0.01 0.18 -1.20 0.74 0.00 0.00 0.00 178.15 177.85 1upf h THR 31 N 0.06 1.28 0.00 -0.27 2.02 0.50 -3.36 112.91 113.13 1upf h THR 31 Ca 0.01 -2.53 -0.15 0.00 0.77 0.00 0.00 66.41 64.51 1upf h THR 31 Cb 0.30 3.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 1upf h THR 31 CO 0.02 0.74 -0.73 -0.09 0.37 0.00 0.00 175.52 175.84 1upf h ARG 32 N -0.21 0.00 -3.09 6.66 2.43 0.32 -3.40 114.38 117.10 1upf h ARG 32 Ca -0.23 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.32 1upf h ARG 32 Cb 1.82 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.96 1upf h ARG 32 CO 0.15 0.73 -0.63 -0.06 -1.51 0.00 0.00 179.97 178.65 1upf s PHE 33 N -2.93 3.14 -0.24 2.20 0.08 0.33 -4.96 117.98 115.59 1upf s PHE 33 Ca 0.02 -3.14 0.08 0.00 0.12 0.00 0.00 56.93 54.01 1upf s PHE 33 Cb 0.09 -2.52 0.43 0.00 -0.57 0.00 0.00 43.02 40.46 1upf s PHE 33 CO 0.78 -0.64 1.10 -0.35 -0.10 0.00 0.00 175.22 176.01 1upf n PRO 34 N 2.45 0.05 -0.63 0.24 -0.04 -1.26 -1.64 135.00 134.17 1upf n PRO 34 Ca 0.16 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 64.17 1upf n PRO 34 Cb 0.35 -1.93 0.35 0.00 -0.04 0.00 0.00 33.50 32.23 1upf n PRO 34 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1upf n ASN 35 N -1.75 4.80 -4.88 3.54 3.02 -1.26 -4.94 115.26 113.78 1upf n ASN 35 Ca -0.01 -2.57 -0.33 0.00 -0.03 0.00 0.00 54.58 51.65 1upf n ASN 35 Cb 0.27 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1upf n ASN 35 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1upf s VAL 36 N -2.07 5.07 -0.17 2.41 1.01 -0.65 -1.93 120.40 124.06 1upf s VAL 36 Ca 0.50 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 1upf s VAL 36 Cb 0.34 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1upf s VAL 36 CO 0.21 0.09 0.06 -0.69 0.00 0.00 0.00 175.10 174.77 1upf s VAL 37 N -1.62 0.24 0.01 2.92 1.01 0.22 -4.94 120.40 118.24 1upf s VAL 37 Ca 0.40 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1upf s VAL 37 Cb -0.12 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1upf s VAL 37 CO 0.22 -0.20 0.37 -0.22 0.00 0.00 0.00 175.10 175.26 1upf s LEU 38 N 1.99 4.42 0.61 3.92 2.96 -1.26 0.16 118.68 131.48 1upf s LEU 38 Ca 0.01 0.83 -0.12 0.00 -0.22 0.00 0.00 54.13 54.63 1upf s LEU 38 Cb -0.16 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1upf s LEU 38 CO -0.08 0.29 1.03 -0.04 -1.32 0.00 0.00 176.35 176.22 1upf s MET 39 N -1.36 3.62 0.13 1.98 -1.94 -0.33 -4.89 119.30 116.51 1upf s MET 39 Ca 0.26 0.78 -0.32 0.00 -1.71 0.00 0.00 55.69 54.71 1upf s MET 39 Cb -0.15 -2.08 -0.11 0.00 2.01 0.00 0.00 34.83 34.50 1upf s MET 39 CO 0.14 -0.55 1.82 1.17 -0.01 0.00 0.00 175.02 177.58 1upf n LYS 40 N -2.62 2.75 -2.21 2.03 3.00 -1.26 -4.83 118.16 115.03 1upf n LYS 40 Ca 0.06 1.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.95 1upf n LYS 40 Cb 0.54 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.69 1upf n LYS 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1upf n GLN 41 N 5.40 3.08 -2.20 1.64 1.13 -1.26 -4.92 117.38 120.26 1upf n GLN 41 Ca 0.18 -3.03 -0.28 0.00 -1.94 0.00 0.00 57.00 51.93 1upf n GLN 41 Cb 0.36 -3.34 0.04 0.00 0.11 0.00 0.00 30.24 27.42 1upf n GLN 41 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1upf s THR 42 N 3.34 3.47 0.25 5.09 -4.23 -1.26 -4.92 115.64 117.38 1upf s THR 42 Ca 0.49 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1upf s THR 42 Cb 0.08 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.74 1upf s THR 42 CO -0.01 -0.48 1.86 0.00 -0.54 0.00 0.00 174.62 175.45 1upf h ALA 43 N -0.39 1.29 -0.59 3.99 0.00 -2.00 -2.39 119.26 119.17 1upf h ALA 43 Ca -0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1upf h ALA 43 Cb 1.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1upf h ALA 43 CO 0.62 0.31 0.16 1.96 0.00 0.00 0.00 179.25 182.30 1upf h GLN 44 N 1.03 0.94 0.00 0.00 1.08 -1.97 0.04 115.11 116.23 1upf h GLN 44 Ca 0.41 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1upf h GLN 44 Cb 0.22 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1upf h GLN 44 CO -0.19 0.86 -0.12 1.25 -0.95 0.00 0.00 178.83 179.68 1upf h LEU 45 N 0.86 -0.35 -0.18 1.46 6.46 -1.84 1.22 115.31 122.93 1upf h LEU 45 Ca 0.19 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1upf h LEU 45 Cb 0.33 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1upf h LEU 45 CO -0.00 -0.17 -0.09 0.03 -0.62 0.00 0.00 178.44 177.59 1upf h ARG 46 N -0.21 -0.07 -0.67 1.25 2.47 -1.26 0.53 114.38 116.43 1upf h ARG 46 Ca 0.04 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.90 1upf h ARG 46 Cb 0.26 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.50 1upf h ARG 46 CO -0.12 -0.05 0.16 0.00 0.56 0.00 0.00 179.97 180.53 1upf h ALA 47 N 1.09 0.84 -0.03 0.04 0.00 -0.32 2.12 119.26 122.99 1upf h ALA 47 Ca 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1upf h ALA 47 Cb 0.22 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1upf h ALA 47 CO -0.22 -0.30 -0.00 0.52 0.00 0.00 0.00 179.25 179.24 1upf h MET 48 N 0.28 0.06 -0.94 0.00 2.86 0.38 -1.75 114.93 115.82 1upf h MET 48 Ca 0.36 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 58.03 1upf h MET 48 Cb 0.57 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 1upf h MET 48 CO -0.44 0.37 0.61 0.52 1.06 0.00 0.00 176.91 179.03 1upf h MET 49 N -0.26 1.10 -0.80 1.72 2.07 0.97 0.35 114.93 120.10 1upf h MET 49 Ca 0.01 -0.07 0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1upf h MET 49 Cb 0.35 -0.25 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 1upf h MET 49 CO 0.00 0.73 0.53 0.00 1.07 0.00 0.00 176.91 179.24 1upf h THR 50 N 1.14 1.19 -0.02 2.22 1.03 0.41 0.17 112.91 119.06 1upf h THR 50 Ca 0.39 -0.37 -0.07 0.00 -0.01 0.00 0.00 66.41 66.35 1upf h THR 50 Cb 0.09 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.21 1upf h THR 50 CO -0.13 0.20 -0.27 0.40 -0.01 0.00 0.00 175.52 175.70 1upf h ILE 51 N 1.07 1.50 0.00 0.00 2.04 -0.19 -3.03 117.51 118.91 1upf h ILE 51 Ca 0.30 -1.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 1upf h ILE 51 Cb -0.10 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1upf h ILE 51 CO -0.07 0.52 -0.15 0.16 0.00 0.00 0.00 178.15 178.61 1upf h ILE 52 N -0.40 0.94 0.00 -0.67 3.07 -0.81 -2.57 117.51 117.08 1upf h ILE 52 Ca -0.03 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1upf h ILE 52 Cb 0.98 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 1upf h ILE 52 CO 0.05 0.15 0.00 0.03 -1.05 0.00 0.00 178.15 177.33 1upf h ARG 53 N 0.00 0.00 -6.79 0.16 3.08 -0.64 -3.46 114.38 106.73 1upf h ARG 53 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1upf h ARG 53 Cb 0.29 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.37 1upf h ARG 53 CO 0.02 0.00 0.53 0.34 -1.07 0.00 0.00 179.97 179.79 1upf s ASP 54 N -5.47 7.11 0.01 7.04 2.15 -0.97 -4.82 116.67 121.72 1upf s ASP 54 Ca 0.07 2.37 0.23 0.00 0.43 0.00 0.00 52.55 55.64 1upf s ASP 54 Cb 0.08 -2.63 0.96 0.00 -0.30 0.00 0.00 42.92 41.03 1upf s ASP 54 CO 0.60 -0.29 1.72 2.29 -0.17 0.00 0.00 175.17 179.32 1upf n LYS 55 N 1.40 0.01 0.00 4.34 2.85 -1.26 -3.13 118.16 122.37 1upf n LYS 55 Ca 0.00 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 1upf n LYS 55 Cb 0.44 -1.51 -0.02 0.00 -0.65 0.00 0.00 35.03 33.29 1upf n LYS 55 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1upf n GLU 56 N -1.52 1.17 -2.36 -1.58 -0.58 -1.26 -4.91 120.64 109.60 1upf n GLU 56 Ca 0.05 -0.88 -0.42 0.00 -0.42 0.00 0.00 57.16 55.49 1upf n GLU 56 Cb 0.27 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1upf n GLU 56 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1upf s THR 57 N -2.46 3.89 0.61 2.62 -4.23 -1.18 -4.99 115.64 109.91 1upf s THR 57 Ca 0.17 1.34 -0.17 0.00 -1.18 0.00 0.00 61.69 61.85 1upf s THR 57 Cb 0.17 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1upf s THR 57 CO 0.58 0.08 1.12 -2.84 -0.54 0.00 0.00 174.62 173.02 1upf s PRO 58 N 1.33 3.01 0.23 3.99 0.02 -1.26 -4.81 135.00 137.51 1upf s PRO 58 Ca 0.60 1.48 -0.13 0.00 0.02 0.00 0.00 61.00 62.97 1upf s PRO 58 Cb -0.30 -1.97 0.29 0.00 0.02 0.00 0.00 34.50 32.53 1upf s PRO 58 CO 0.28 -1.10 1.60 1.57 -0.33 0.00 0.00 177.00 179.03 1upf h LYS 59 N 0.48 -0.01 -0.84 5.54 2.10 -1.94 -1.02 116.57 120.88 1upf h LYS 59 Ca -0.48 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.27 1upf h LYS 59 Cb 1.25 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.51 1upf h LYS 59 CO 0.55 -0.01 0.48 1.05 -2.00 0.00 0.00 179.45 179.52 1upf h GLU 60 N -0.01 0.77 -0.02 0.07 9.09 -1.96 -1.99 114.58 120.52 1upf h GLU 60 Ca 0.34 -0.05 -0.06 0.00 0.05 0.00 0.00 59.36 59.65 1upf h GLU 60 Cb 0.54 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1upf h GLU 60 CO -0.76 0.51 -0.22 0.93 0.05 0.00 0.00 179.01 179.52 1upf h GLU 61 N 0.79 0.20 -0.70 1.06 4.39 -1.76 -2.26 114.58 116.30 1upf h GLU 61 Ca 0.41 -0.18 0.14 0.00 0.34 0.00 0.00 59.36 60.07 1upf h GLU 61 Cb 0.40 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.99 1upf h GLU 61 CO -0.26 0.86 0.22 0.35 -1.16 0.00 0.00 179.01 179.02 1upf h PHE 62 N -0.41 0.36 -0.09 4.33 3.04 -0.89 0.15 116.94 123.43 1upf h PHE 62 Ca -0.02 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1upf h PHE 62 Cb 0.92 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 1upf h PHE 62 CO 0.16 -0.00 -0.02 0.28 -2.02 0.00 0.00 178.31 176.71 1upf h VAL 63 N 0.34 1.28 -0.25 1.41 2.07 -1.42 0.56 116.25 120.24 1upf h VAL 63 Ca 0.38 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1upf h VAL 63 Cb 0.59 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 1upf h VAL 63 CO -0.43 0.26 -0.12 0.15 0.02 0.00 0.00 177.57 177.45 1upf h PHE 64 N -0.14 -0.28 -0.11 1.57 3.57 -0.75 0.66 116.94 121.45 1upf h PHE 64 Ca 0.02 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 1upf h PHE 64 Cb 0.41 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1upf h PHE 64 CO 0.05 -0.18 -0.54 1.88 -2.23 0.00 0.00 178.31 177.29 1upf h TYR 65 N -0.08 0.40 -0.60 0.41 0.05 -0.70 -2.01 116.97 114.43 1upf h TYR 65 Ca 0.13 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1upf h TYR 65 Cb 0.28 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1upf h TYR 65 CO -0.30 0.79 0.14 0.00 -1.05 0.00 0.00 178.16 177.74 1upf h ALA 66 N 1.19 0.79 -0.55 3.88 0.00 -0.51 -1.46 119.26 122.59 1upf h ALA 66 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1upf h ALA 66 Cb 1.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1upf h ALA 66 CO 0.09 0.50 0.04 -0.44 0.00 0.00 0.00 179.25 179.44 1upf h ASP 67 N 0.87 0.88 -0.61 0.00 5.19 -0.80 0.04 116.42 121.99 1upf h ASP 67 Ca 0.19 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1upf h ASP 67 Cb 0.36 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 1upf h ASP 67 CO 0.00 0.92 0.25 -0.09 -3.12 0.00 0.00 179.24 177.20 1upf h ARG 68 N 0.86 0.94 -0.01 3.56 2.43 -0.74 -1.59 114.38 119.84 1upf h ARG 68 Ca 0.17 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1upf h ARG 68 Cb 0.45 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1upf h ARG 68 CO 0.02 0.78 -0.38 1.25 -1.51 0.00 0.00 179.97 180.13 1upf h LEU 69 N 0.92 0.34 -0.87 3.80 6.46 -1.01 -3.11 115.31 121.85 1upf h LEU 69 Ca 0.22 -0.76 0.11 0.00 -0.12 0.00 0.00 57.88 57.32 1upf h LEU 69 Cb 0.19 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.94 1upf h LEU 69 CO -0.02 1.06 0.50 0.40 -0.62 0.00 0.00 178.44 179.76 1upf h ILE 70 N -0.34 0.88 -0.94 4.05 2.04 -0.90 0.19 117.51 122.49 1upf h ILE 70 Ca -0.05 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1upf h ILE 70 Cb 1.11 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1upf h ILE 70 CO 0.07 0.15 0.62 -0.09 0.00 0.00 0.00 178.15 178.91 1upf h ARG 71 N 0.81 1.24 -0.15 2.37 9.65 -1.27 -0.27 114.38 126.74 1upf h ARG 71 Ca 0.43 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 59.06 1upf h ARG 71 Cb 0.44 -0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1upf h ARG 71 CO -0.27 0.82 -0.61 -0.07 2.80 0.00 0.00 179.97 182.64 1upf h LEU 72 N 1.28 0.60 -0.34 3.80 3.38 -0.90 -2.44 115.31 120.68 1upf h LEU 72 Ca 0.34 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upf h LEU 72 Cb -0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1upf h LEU 72 CO -0.07 1.07 0.20 0.25 0.09 0.00 0.00 178.44 179.98 1upf h LEU 73 N 0.39 0.41 -0.85 1.67 5.85 -0.10 -1.96 115.31 120.73 1upf h LEU 73 Ca -0.01 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1upf h LEU 73 Cb 1.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1upf h LEU 73 CO 0.11 0.35 0.18 0.40 -0.34 0.00 0.00 178.44 179.15 1upf h ILE 74 N 0.44 1.25 -0.61 4.05 1.08 -1.00 -0.20 117.51 122.52 1upf h ILE 74 Ca 0.12 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1upf h ILE 74 Cb 0.02 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 1upf h ILE 74 CO -0.02 0.34 0.37 -0.33 -0.69 0.00 0.00 178.15 177.82 1upf h GLU 75 N 0.99 0.70 0.30 2.37 4.39 -1.29 0.16 114.58 122.20 1upf h GLU 75 Ca 0.21 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1upf h GLU 75 Cb 0.32 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1upf h GLU 75 CO -0.00 0.46 -0.24 1.49 -1.16 0.00 0.00 179.01 179.56 1upf h GLU 76 N 0.72 -0.53 -0.89 2.33 4.57 -0.55 -2.83 114.58 117.41 1upf h GLU 76 Ca 0.25 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.49 1upf h GLU 76 Cb 0.05 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 1upf h GLU 76 CO -0.11 -0.35 0.58 0.00 -1.18 0.00 0.00 179.01 177.95 1upf h ALA 77 N 0.09 1.42 -0.24 2.92 0.00 -0.69 -1.16 119.26 121.60 1upf h ALA 77 Ca -0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1upf h ALA 77 Cb 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1upf h ALA 77 CO -0.01 0.51 0.50 -0.07 0.00 0.00 0.00 179.25 180.17 1upf h LEU 78 N 1.14 0.00 -0.56 0.00 3.38 -0.43 0.38 115.31 119.22 1upf h LEU 78 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1upf h LEU 78 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1upf h LEU 78 CO -0.09 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.22 1upf h ASN 79 N 0.00 0.00 0.80 -0.43 4.21 -1.25 -2.99 115.58 115.92 1upf h ASN 79 Ca 0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1upf h ASN 79 Cb 1.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 1upf h ASN 79 CO -0.00 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.52 1upf n GLU 80 N -2.34 0.11 -2.84 0.81 -0.58 0.13 -4.85 120.64 111.09 1upf n GLU 80 Ca 0.03 0.27 -0.34 0.00 -0.42 0.00 0.00 57.16 56.70 1upf n GLU 80 Cb 0.30 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.42 1upf n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1upf s LEU 81 N -3.76 4.04 0.50 -4.62 1.43 -1.13 -5.03 118.68 110.10 1upf s LEU 81 Ca 0.07 1.69 -0.23 0.00 -1.03 0.00 0.00 54.13 54.63 1upf s LEU 81 Cb 0.11 -4.38 -0.07 0.00 0.03 0.00 0.00 46.19 41.89 1upf s LEU 81 CO 0.40 -0.28 1.36 -0.81 0.23 0.00 0.00 176.35 177.24 1upf n PRO 82 N -0.33 1.88 -3.95 1.29 -0.04 -1.26 -5.03 135.00 127.55 1upf n PRO 82 Ca 0.05 0.68 -0.10 0.00 -0.04 0.00 0.00 63.50 64.10 1upf n PRO 82 Cb 0.53 -2.55 -0.12 0.00 -0.04 0.00 0.00 33.50 31.32 1upf n PRO 82 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1upf s PHE 83 N -1.25 0.20 0.37 0.54 -0.71 -1.26 -4.05 117.98 111.81 1upf s PHE 83 Ca 0.67 -0.40 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 1upf s PHE 83 Cb -0.44 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.20 1upf s PHE 83 CO 0.53 -0.14 0.56 -1.14 -1.34 0.00 0.00 175.22 173.69 1upf s GLN 84 N -1.09 3.30 0.28 1.99 0.74 0.35 -4.85 119.66 120.36 1upf s GLN 84 Ca -0.12 -0.51 -0.08 0.00 0.05 0.00 0.00 55.36 54.70 1upf s GLN 84 Cb -0.07 -2.67 -0.06 0.00 1.10 0.00 0.00 33.01 31.30 1upf s GLN 84 CO -0.01 0.03 0.58 0.15 -0.55 0.00 0.00 175.29 175.49 1upf s LYS 85 N -4.34 3.73 -0.19 1.67 -0.14 -1.26 0.14 119.74 119.35 1upf s LYS 85 Ca 0.43 0.20 -0.10 0.00 -1.36 0.00 0.00 55.97 55.14 1upf s LYS 85 Cb -0.10 -2.61 0.06 0.00 -1.68 0.00 0.00 37.83 33.51 1upf s LYS 85 CO 0.35 0.23 0.45 0.21 -0.76 0.00 0.00 175.35 175.83 1upf s LYS 86 N -3.23 0.43 -0.16 1.68 2.20 -0.52 -4.66 119.74 115.47 1upf s LYS 86 Ca 0.47 0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 56.87 1upf s LYS 86 Cb -0.11 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1upf s LYS 86 CO 0.26 -0.16 0.04 -2.00 -0.36 0.00 0.00 175.35 173.13 1upf s GLU 87 N 1.50 3.79 0.42 4.03 2.12 -1.26 0.35 118.70 129.65 1upf s GLU 87 Ca -0.09 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 54.92 1upf s GLU 87 Cb -0.08 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.14 1upf s GLU 87 CO -0.14 0.34 0.02 0.14 -0.54 0.00 0.00 175.26 175.09 1upf s VAL 88 N 0.15 1.58 -0.18 3.70 -7.23 0.48 -4.90 120.40 114.01 1upf s VAL 88 Ca 0.03 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1upf s VAL 88 Cb -0.13 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1upf s VAL 88 CO 0.01 0.00 -0.20 0.28 -0.31 0.00 0.00 175.10 174.88 1upf s THR 89 N -2.87 2.06 0.93 5.32 -1.32 -1.26 0.11 115.64 118.61 1upf s THR 89 Ca 0.27 -0.95 -0.13 0.00 -1.21 0.00 0.00 61.69 59.67 1upf s THR 89 Cb 0.07 -1.86 0.15 0.00 -1.51 0.00 0.00 72.50 69.35 1upf s THR 89 CO 0.13 0.53 1.17 0.28 -2.21 0.00 0.00 174.62 174.53 1upf s THR 90 N 1.29 1.96 0.46 5.08 -1.32 0.48 -4.86 115.64 118.72 1upf s THR 90 Ca 0.05 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.75 1upf s THR 90 Cb -0.13 -2.80 0.25 0.00 -1.51 0.00 0.00 72.50 68.32 1upf s THR 90 CO -0.13 0.00 2.07 -0.65 -2.21 0.00 0.00 174.62 173.70 1upf h PRO 91 N -1.56 0.00 -0.18 7.08 0.11 -2.00 0.49 132.00 135.93 1upf h PRO 91 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1upf h PRO 91 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1upf h PRO 91 CO 0.56 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 1upf n LEU 92 N -3.99 0.18 -3.74 2.35 4.32 -1.26 -4.74 117.00 110.12 1upf n LEU 92 Ca -0.02 -0.09 -0.26 0.00 -0.02 0.00 0.00 56.01 55.61 1upf n LEU 92 Cb 0.22 -0.09 0.05 0.00 -1.62 0.00 0.00 43.42 41.98 1upf n LEU 92 CO 0.32 0.05 0.15 -0.67 -1.22 0.00 0.00 177.39 176.02 1upf n ASP 93 N -0.22 -4.94 -4.16 -1.43 -0.08 0.16 -4.99 116.55 100.89 1upf n ASP 93 Ca 0.00 -0.68 -0.10 0.00 -1.51 0.00 0.00 54.79 52.50 1upf n ASP 93 Cb 0.05 -4.44 -0.10 0.00 2.34 0.00 0.00 41.12 38.97 1upf n ASP 93 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1upf s VAL 94 N -3.35 0.21 0.21 5.18 -7.23 -1.24 -4.94 120.40 109.24 1upf s VAL 94 Ca 0.53 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.58 1upf s VAL 94 Cb -0.25 -2.00 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 1upf s VAL 94 CO 0.78 -0.52 0.73 -0.44 -0.31 0.00 0.00 175.10 175.34 1upf s SER 95 N -3.06 7.12 -0.03 4.85 0.01 -1.26 -0.39 113.70 120.94 1upf s SER 95 Ca 0.22 1.46 0.01 0.00 1.31 0.00 0.00 55.95 58.95 1upf s SER 95 Cb 0.07 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.88 1upf s SER 95 CO 0.01 0.07 -0.04 -0.47 0.41 0.00 0.00 173.24 173.21 1upf s TYR 96 N -1.45 0.61 -0.63 2.43 6.14 0.29 -4.92 117.35 119.82 1upf s TYR 96 Ca 0.41 -0.14 -0.14 0.00 0.64 0.00 0.00 57.07 57.84 1upf s TYR 96 Cb -0.18 -0.51 0.16 0.00 0.42 0.00 0.00 41.96 41.85 1upf s TYR 96 CO 0.22 -0.11 0.57 -1.01 0.64 0.00 0.00 175.55 175.86 1upf s HIS 97 N 0.53 3.44 0.00 4.97 3.76 -1.26 0.18 115.29 126.92 1upf s HIS 97 Ca -0.07 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.23 1upf s HIS 97 Cb -0.10 -3.77 0.00 0.00 1.11 0.00 0.00 32.58 29.82 1upf s HIS 97 CO -0.00 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.30 1upf n GLY 98 N 4.75 1.31 3.39 -2.22 0.00 1.07 -4.89 105.19 108.59 1upf n GLY 98 Ca -0.04 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 1upf n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upf s VAL 99 N 1.68 0.05 -0.00 1.61 -7.23 -1.25 -1.43 120.40 113.82 1upf s VAL 99 Ca 0.00 -1.26 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 1upf s VAL 99 Cb 0.00 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.15 1upf s VAL 99 CO 0.00 -0.25 0.19 -0.55 -0.31 0.00 0.00 175.10 174.18 1upf s SER 100 N -2.95 -0.04 -0.25 4.85 0.15 0.37 -4.67 113.70 111.15 1upf s SER 100 Ca 0.16 -0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.62 1upf s SER 100 Cb 0.02 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1upf s SER 100 CO -0.00 -0.38 0.09 -0.36 1.20 0.00 0.00 173.24 173.78 1upf s PHE 101 N -1.32 3.10 -0.46 3.44 0.40 -1.26 0.13 117.98 122.01 1upf s PHE 101 Ca -0.14 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 1upf s PHE 101 Cb -0.07 -2.26 -0.07 0.00 0.51 0.00 0.00 43.02 41.14 1upf s PHE 101 CO 0.02 -0.33 0.39 2.48 0.70 0.00 0.00 175.22 178.48 1upf n TYR 102 N 4.94 0.00 -0.98 0.36 4.11 -1.26 -4.98 117.16 119.35 1upf n TYR 102 Ca -0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.44 1upf n TYR 102 Cb 0.51 0.00 0.15 0.00 -0.00 0.00 0.00 39.34 40.00 1upf n TYR 102 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1upf s SER 103 N -1.63 3.34 -0.11 9.48 0.01 -1.26 -5.02 113.70 118.51 1upf s SER 103 Ca 0.04 1.82 -0.15 0.00 1.31 0.00 0.00 55.95 58.97 1upf s SER 103 Cb 0.06 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1upf s SER 103 CO 0.30 -2.78 0.37 -0.54 0.41 0.00 0.00 173.24 171.00 1upf s LYS 104 N -4.78 4.18 0.38 12.44 1.02 -1.26 -5.02 119.74 126.70 1upf s LYS 104 Ca 0.64 0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.96 1upf s LYS 104 Cb -0.20 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1upf s LYS 104 CO 0.58 0.33 0.21 0.44 -0.92 0.00 0.00 175.35 175.99 1upf n ILE 105 N 3.18 0.00 -3.62 2.17 -5.35 -1.26 -0.61 119.36 113.87 1upf n ILE 105 Ca -0.11 -2.46 -0.04 0.00 -0.27 0.00 0.00 62.75 59.88 1upf n ILE 105 Cb 0.52 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 1upf n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upf s GLY 107 N -1.77 1.59 -0.11 0.00 0.00 -0.56 -1.47 107.32 105.01 1upf s GLY 107 Ca 0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 1upf s GLY 107 CO -0.04 -1.25 0.09 0.14 0.00 0.00 0.00 173.10 172.04 1upf s VAL 108 N -1.86 -0.13 -0.08 1.40 1.01 0.99 -0.67 120.40 121.06 1upf s VAL 108 Ca 0.32 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1upf s VAL 108 Cb -0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 1upf s VAL 108 CO 0.25 -0.03 0.30 -0.94 0.00 0.00 0.00 175.10 174.68 1upf s SER 109 N 2.18 6.59 -0.51 3.32 1.04 0.07 -1.23 113.70 125.17 1upf s SER 109 Ca 0.04 0.70 -0.25 0.00 0.48 0.00 0.00 55.95 56.92 1upf s SER 109 Cb -0.14 -2.18 0.03 0.00 0.10 0.00 0.00 66.02 63.83 1upf s SER 109 CO -0.06 0.28 0.94 -0.63 0.98 0.00 0.00 173.24 174.75 1upf s ILE 110 N -0.63 4.41 0.27 -1.02 1.01 -1.02 -1.49 121.20 122.74 1upf s ILE 110 Ca 0.19 0.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1upf s ILE 110 Cb -0.14 -4.50 -0.10 0.00 0.01 0.00 0.00 42.46 37.73 1upf s ILE 110 CO 0.08 -0.99 1.35 -0.69 0.00 0.00 0.00 174.94 174.69 1upf s VAL 111 N 3.89 2.83 -0.22 2.92 1.01 0.12 -0.52 120.40 130.43 1upf s VAL 111 Ca 0.34 0.75 0.11 0.00 0.00 0.00 0.00 61.98 63.17 1upf s VAL 111 Cb -0.11 -3.48 -0.22 0.00 0.00 0.00 0.00 36.38 32.58 1upf s VAL 111 CO 0.23 0.14 -0.05 -1.14 0.00 0.00 0.00 175.10 174.28 1upf n ARG 112 N 1.73 0.67 -0.08 2.72 0.63 -1.26 -4.31 116.66 116.76 1upf n ARG 112 Ca 0.04 0.07 0.17 0.00 -0.92 0.00 0.00 57.85 57.20 1upf n ARG 112 Cb 0.42 -1.53 0.59 0.00 0.45 0.00 0.00 32.46 32.39 1upf n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1upf h ALA 113 N 0.56 2.28 0.00 5.13 0.00 -1.93 0.25 119.26 125.55 1upf h ALA 113 Ca -0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1upf h ALA 113 Cb 2.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1upf h ALA 113 CO -0.02 -0.45 -0.07 0.78 0.00 0.00 0.00 179.25 179.49 1upf h GLY 114 N 0.22 0.00 2.00 0.00 0.00 -0.99 -2.89 103.07 101.42 1upf h GLY 114 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1upf h GLY 114 CO -0.06 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.28 1upf h GLU 115 N 0.00 0.00 0.00 4.80 5.08 -0.61 -2.28 114.58 121.57 1upf h GLU 115 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1upf h GLU 115 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1upf h GLU 115 CO 0.01 0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 1upf n SER 116 N -3.88 0.56 -0.28 1.42 3.41 -1.09 -1.92 113.62 111.84 1upf n SER 116 Ca -0.03 0.73 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 1upf n SER 116 Cb 0.12 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1upf n SER 116 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1upf n MET 117 N -2.21 0.95 0.16 4.33 2.81 -0.86 -4.41 117.12 117.89 1upf n MET 117 Ca -0.01 -0.56 -0.14 0.00 -1.81 0.00 0.00 57.70 55.18 1upf n MET 117 Cb 0.08 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 31.07 1upf n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1upf h GLU 118 N 1.35 -0.32 -0.83 0.03 5.08 -1.52 -2.67 114.58 115.70 1upf h GLU 118 Ca 0.00 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.59 1upf h GLU 118 Cb 0.61 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.80 1upf h GLU 118 CO 0.00 -0.20 0.21 0.66 -1.00 0.00 0.00 179.01 178.67 1upf h SER 119 N -0.34 -0.01 -0.15 1.42 4.64 -1.77 1.22 113.55 118.55 1upf h SER 119 Ca -0.03 0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1upf h SER 119 Cb 0.26 0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1upf h SER 119 CO 0.06 -0.12 0.04 1.23 -0.87 0.00 0.00 176.83 177.17 1upf h GLY 120 N 0.23 0.18 0.94 -0.77 0.00 -1.76 0.28 103.07 102.17 1upf h GLY 120 Ca 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1upf h GLY 120 CO -0.61 0.01 -0.06 -2.00 0.00 0.00 0.00 176.54 173.88 1upf h LEU 121 N 0.11 -0.15 -2.21 3.11 5.85 0.11 -1.84 115.31 120.30 1upf h LEU 121 Ca 0.07 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1upf h LEU 121 Cb 0.05 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1upf h LEU 121 CO -0.08 -0.05 -0.03 0.03 -0.34 0.00 0.00 178.44 177.98 1upf h ARG 122 N -0.23 0.00 -0.05 1.25 3.08 0.17 0.55 114.38 119.15 1upf h ARG 122 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1upf h ARG 122 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1upf h ARG 122 CO 0.03 0.03 -0.69 0.00 -1.07 0.00 0.00 179.97 178.27 1upf h ALA 123 N 1.97 0.74 0.00 0.04 0.00 0.37 -3.29 119.26 119.09 1upf h ALA 123 Ca -0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 54.91 54.04 1upf h ALA 123 Cb 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1upf h ALA 123 CO 0.00 0.78 -2.07 1.33 0.00 0.00 0.00 179.25 179.30 1upf n VAL 124 N -3.81 1.20 -3.91 0.00 0.24 -0.81 -4.66 118.33 106.59 1upf n VAL 124 Ca -0.03 -0.77 -0.31 0.00 -2.04 0.00 0.00 64.34 61.19 1upf n VAL 124 Cb 0.68 -0.54 -0.13 0.00 -1.47 0.00 0.00 33.84 32.38 1upf n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upf n ARG 126 N 3.20 2.60 -0.95 0.00 1.74 -1.24 -2.87 116.66 119.14 1upf n ARG 126 Ca 0.06 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 1upf n ARG 126 Cb 0.33 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 1upf n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upf n GLY 127 N 4.00 0.44 3.64 -0.13 0.00 -1.26 -4.98 105.19 106.89 1upf n GLY 127 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1upf n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1upf n VAL 128 N -2.47 2.84 -2.43 1.61 0.24 -1.14 -4.91 118.33 112.07 1upf n VAL 128 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.41 1upf n VAL 128 Cb 0.12 -1.29 -0.04 0.00 -1.47 0.00 0.00 33.84 31.16 1upf n VAL 128 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1upf s ARG 129 N -2.29 4.35 -0.15 7.34 0.52 -1.26 -4.89 118.95 122.57 1upf s ARG 129 Ca 0.66 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1upf s ARG 129 Cb -0.50 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.11 1upf s ARG 129 CO 0.54 -0.04 -0.14 0.42 0.02 0.00 0.00 175.30 176.11 1upf s ILE 130 N -1.36 1.58 0.20 1.52 -1.09 -1.26 -1.50 121.20 119.29 1upf s ILE 130 Ca 0.51 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 1upf s ILE 130 Cb -0.29 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1upf s ILE 130 CO 0.37 0.45 0.23 -0.83 -1.23 0.00 0.00 174.94 173.94 1upf s GLY 131 N 1.48 1.53 0.10 6.18 0.00 0.16 -4.81 107.32 111.97 1upf s GLY 131 Ca 0.05 -1.23 0.08 0.00 0.00 0.00 0.00 44.72 43.62 1upf s GLY 131 CO -0.11 -1.24 -0.19 0.54 0.00 0.00 0.00 173.10 172.10 1upf s LYS 132 N -3.50 1.08 -0.11 2.90 1.02 -0.31 -0.75 119.74 120.07 1upf s LYS 132 Ca 0.33 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 55.12 1upf s LYS 132 Cb -0.10 -1.25 0.06 0.00 -0.52 0.00 0.00 37.83 36.02 1upf s LYS 132 CO 0.26 0.28 0.23 0.42 -0.92 0.00 0.00 175.35 175.62 1upf s ILE 133 N -1.34 -0.32 -0.22 2.17 1.01 -0.55 -1.90 121.20 120.05 1upf s ILE 133 Ca 0.06 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 1upf s ILE 133 Cb -0.09 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1upf s ILE 133 CO 0.04 0.12 -0.02 -0.22 0.00 0.00 0.00 174.94 174.86 1upf s LEU 134 N 2.23 3.02 -0.07 2.97 2.96 0.26 0.13 118.68 130.18 1upf s LEU 134 Ca 0.00 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1upf s LEU 134 Cb -0.12 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1upf s LEU 134 CO -0.08 -0.00 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.17 1upf s ILE 135 N 1.38 1.33 0.08 6.68 1.09 -1.26 -0.27 121.20 130.23 1upf s ILE 135 Ca 0.05 -0.61 0.07 0.00 -1.10 0.00 0.00 60.65 59.06 1upf s ILE 135 Cb -0.14 -1.19 -0.03 0.00 -1.06 0.00 0.00 42.46 40.04 1upf s ILE 135 CO -0.01 0.40 -0.18 -1.58 -0.10 0.00 0.00 174.94 173.46 1upf s GLN 136 N 0.51 1.05 -0.01 2.79 0.74 -0.35 -4.87 119.66 119.51 1upf s GLN 136 Ca -0.14 -1.03 -0.22 0.00 0.05 0.00 0.00 55.36 54.03 1upf s GLN 136 Cb -0.15 -1.19 -0.05 0.00 1.10 0.00 0.00 33.01 32.72 1upf s GLN 136 CO 0.04 0.28 0.65 1.03 -0.55 0.00 0.00 175.29 176.75 1upf s ARG 137 N -1.67 4.39 0.32 1.67 0.52 -1.25 0.21 118.95 123.13 1upf s ARG 137 Ca 0.04 0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 1upf s ARG 137 Cb -0.10 -3.37 -0.12 0.00 0.52 0.00 0.00 34.95 31.88 1upf s ARG 137 CO 0.03 0.27 1.44 -3.47 0.02 0.00 0.00 175.30 173.59 1upf n ASP 138 N 3.02 3.32 -0.28 0.23 -0.08 0.95 -4.79 116.55 118.93 1upf n ASP 138 Ca -0.05 1.19 0.33 0.00 -1.51 0.00 0.00 54.79 54.76 1upf n ASP 138 Cb 0.51 -1.54 0.74 0.00 2.34 0.00 0.00 41.12 43.17 1upf n ASP 138 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1upf h GLU 139 N 3.50 0.00 0.00 -0.67 3.07 -1.94 0.16 114.58 118.70 1upf h GLU 139 Ca -0.47 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.27 1upf h GLU 139 Cb 1.26 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 1upf h GLU 139 CO 0.69 0.00 -1.29 2.41 -1.40 0.00 0.00 179.01 179.42 1upf n THR 140 N -4.14 0.59 0.19 1.13 -1.04 -1.26 -4.73 114.28 105.02 1upf n THR 140 Ca 0.23 -0.05 0.07 0.00 -2.04 0.00 0.00 64.05 62.26 1upf n THR 140 Cb 1.18 -1.65 0.32 0.00 -1.82 0.00 0.00 70.33 68.37 1upf n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upf h THR 141 N -0.30 0.72 0.00 12.58 1.03 -1.96 -3.46 112.91 121.51 1upf h THR 141 Ca -0.18 -1.47 0.00 0.00 -0.01 0.00 0.00 66.41 64.75 1upf h THR 141 Cb 1.05 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 1upf h THR 141 CO -0.11 0.32 0.00 0.00 -0.01 0.00 0.00 175.52 175.72 1upf n ALA 142 N -2.25 0.00 -1.76 0.00 0.00 0.57 -4.91 120.51 112.17 1upf n ALA 142 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 1upf n ALA 142 Cb 0.52 -0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1upf n ALA 142 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1upf s GLU 143 N -0.01 3.57 -0.12 0.00 2.12 -1.26 -4.08 118.70 118.93 1upf s GLU 143 Ca 0.00 2.22 -0.10 0.00 0.36 0.00 0.00 54.97 57.44 1upf s GLU 143 Cb 0.00 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 1upf s GLU 143 CO 0.00 -0.84 0.22 -2.14 -0.54 0.00 0.00 175.26 171.97 1upf s PRO 144 N -2.59 3.81 0.04 4.30 0.01 -1.26 0.32 135.00 139.64 1upf s PRO 144 Ca 0.64 0.01 0.01 0.00 0.01 0.00 0.00 61.00 61.67 1upf s PRO 144 Cb -0.39 -3.28 -0.03 0.00 0.01 0.00 0.00 34.50 30.81 1upf s PRO 144 CO 0.49 0.58 -0.05 0.15 0.01 0.00 0.00 177.00 178.18 1upf s LYS 145 N -0.53 0.47 -0.03 5.54 -0.14 0.13 -4.93 119.74 120.25 1upf s LYS 145 Ca 0.16 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 1upf s LYS 145 Cb -0.13 -0.04 -0.04 0.00 -1.68 0.00 0.00 37.83 35.93 1upf s LYS 145 CO 0.05 -0.02 1.27 -1.17 -0.76 0.00 0.00 175.35 174.72 1upf s LEU 146 N -1.82 4.30 -0.18 3.17 0.20 -1.26 -1.21 118.68 121.88 1upf s LEU 146 Ca -0.09 1.93 0.01 0.00 0.69 0.00 0.00 54.13 56.67 1upf s LEU 146 Cb -0.06 -3.56 -0.11 0.00 -0.43 0.00 0.00 46.19 42.02 1upf s LEU 146 CO -0.02 -0.62 -0.16 -0.38 -0.29 0.00 0.00 176.35 174.88 1upf n ILE 147 N 4.58 1.00 -3.66 6.68 -0.00 0.63 -4.93 119.36 123.66 1upf n ILE 147 Ca 0.12 -0.37 -0.15 0.00 -0.00 0.00 0.00 62.75 62.34 1upf n ILE 147 Cb 0.45 -1.16 -0.08 0.00 -0.00 0.00 0.00 39.64 38.85 1upf n ILE 147 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1upf s TYR 148 N -2.35 -0.48 -0.18 1.39 6.14 -0.73 -4.99 117.35 116.15 1upf s TYR 148 Ca -0.24 0.98 -0.16 0.00 0.64 0.00 0.00 57.07 58.29 1upf s TYR 148 Cb 0.06 0.23 0.05 0.00 0.42 0.00 0.00 41.96 42.72 1upf s TYR 148 CO 0.40 -0.41 0.48 -1.83 0.64 0.00 0.00 175.55 174.82 1upf s GLU 149 N -0.66 0.55 -0.17 4.97 4.04 -1.26 0.89 118.70 127.06 1upf s GLU 149 Ca -0.07 0.68 -0.05 0.00 0.04 0.00 0.00 54.97 55.57 1upf s GLU 149 Cb -0.03 0.25 0.06 0.00 0.02 0.00 0.00 34.13 34.44 1upf s GLU 149 CO 0.05 -0.07 0.11 0.15 -1.84 0.00 0.00 175.26 173.65 1upf s LYS 150 N 0.34 0.07 0.10 -4.83 -0.14 -0.80 -5.02 119.74 109.46 1upf s LYS 150 Ca -0.01 -0.01 0.02 0.00 -1.36 0.00 0.00 55.97 54.62 1upf s LYS 150 Cb -0.04 -1.65 -0.04 0.00 -1.68 0.00 0.00 37.83 34.42 1upf s LYS 150 CO -0.00 -0.64 -0.07 -0.51 -0.76 0.00 0.00 175.35 173.36 1upf s LEU 151 N 2.17 2.48 0.30 3.17 2.01 -1.26 -1.16 118.68 126.39 1upf s LEU 151 Ca 0.03 -0.96 -0.29 0.00 0.01 0.00 0.00 54.13 52.93 1upf s LEU 151 Cb -0.16 -0.12 -0.13 0.00 0.01 0.00 0.00 46.19 45.79 1upf s LEU 151 CO -0.09 -0.42 1.16 -2.65 1.01 0.00 0.00 176.35 175.36 1upf n PRO 152 N 0.11 1.68 -0.15 1.29 -0.02 -1.26 -4.86 135.00 131.79 1upf n PRO 152 Ca -0.13 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1upf n PRO 152 Cb 0.60 -2.07 0.42 0.00 -0.02 0.00 0.00 33.50 32.43 1upf n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upf h ALA 153 N 2.49 1.87 -0.63 3.55 0.00 -2.03 -2.68 119.26 121.83 1upf h ALA 153 Ca -0.43 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1upf h ALA 153 Cb 1.31 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1upf h ALA 153 CO 0.63 -0.00 0.23 -0.40 0.00 0.00 0.00 179.25 179.71 1upf n ASP 154 N -4.49 3.17 -0.27 0.00 5.68 -1.26 -4.72 116.55 114.66 1upf n ASP 154 Ca 0.11 -3.65 0.30 0.00 -0.50 0.00 0.00 54.79 51.05 1upf n ASP 154 Cb 0.33 -0.72 0.70 0.00 -1.14 0.00 0.00 41.12 40.28 1upf n ASP 154 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1upf h ILE 155 N 1.14 0.48 0.00 2.12 2.10 -1.84 0.52 117.51 122.03 1upf h ILE 155 Ca 0.38 -0.03 -0.00 0.00 1.08 0.00 0.00 64.86 66.29 1upf h ILE 155 Cb 2.18 0.40 -0.00 0.00 -1.09 0.00 0.00 36.82 38.31 1upf h ILE 155 CO 0.69 0.01 -0.02 0.08 -1.08 0.00 0.00 178.15 177.83 1upf h ARG 156 N 0.08 0.00 -0.00 2.19 0.11 -1.83 0.47 114.38 115.40 1upf h ARG 156 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 1upf h ARG 156 Cb 1.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.00 1upf h ARG 156 CO -0.06 0.02 -0.18 0.39 0.10 0.00 0.00 179.97 180.24 1upf n GLU 157 N -3.41 0.47 -4.09 0.08 -0.58 0.18 -4.60 120.64 108.70 1upf n GLU 157 Ca -0.03 -0.18 -0.25 0.00 -0.42 0.00 0.00 57.16 56.28 1upf n GLU 157 Cb 0.12 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.42 1upf n GLU 157 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1upf s ARG 158 N -2.66 2.25 -0.20 3.49 0.52 0.17 -4.75 118.95 117.76 1upf s ARG 158 Ca 0.23 -1.84 -0.17 0.00 -0.52 0.00 0.00 55.73 53.43 1upf s ARG 158 Cb 0.19 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 1upf s ARG 158 CO 0.53 -0.15 0.44 -1.58 0.02 0.00 0.00 175.30 174.55 1upf s TRP 159 N -2.60 3.37 -0.29 -0.53 0.52 0.22 -4.75 118.94 114.88 1upf s TRP 159 Ca 0.40 0.65 -0.11 0.00 0.02 0.00 0.00 56.10 57.07 1upf s TRP 159 Cb 0.03 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1upf s TRP 159 CO 0.22 -0.05 0.18 0.08 0.02 0.00 0.00 176.95 177.40 1upf s VAL 160 N 1.46 5.15 -0.43 4.03 1.01 0.30 -2.52 120.40 129.40 1upf s VAL 160 Ca 0.20 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 1upf s VAL 160 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1upf s VAL 160 CO 0.09 0.21 0.60 -0.04 0.00 0.00 0.00 175.10 175.95 1upf s MET 161 N 1.73 3.28 -0.38 2.72 1.00 -0.54 -0.05 119.30 127.05 1upf s MET 161 Ca 0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 55.69 55.18 1upf s MET 161 Cb -0.16 -3.94 0.00 0.00 0.00 0.00 0.00 34.83 30.73 1upf s MET 161 CO 0.10 -0.95 0.39 -1.17 0.00 0.00 0.00 175.02 173.39 1upf s LEU 162 N 2.67 4.67 -0.17 -0.03 0.20 0.04 -0.01 118.68 126.05 1upf s LEU 162 Ca 0.20 -0.47 -0.06 0.00 0.69 0.00 0.00 54.13 54.50 1upf s LEU 162 Cb -0.15 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 1upf s LEU 162 CO 0.18 -0.45 0.02 -0.76 -0.29 0.00 0.00 176.35 175.04 1upf s LEU 163 N 2.04 3.56 -0.27 -0.68 1.43 -0.36 -0.65 118.68 123.75 1upf s LEU 163 Ca 0.11 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1upf s LEU 163 Cb -0.17 -1.88 0.14 0.00 0.03 0.00 0.00 46.19 44.31 1upf s LEU 163 CO 0.12 0.18 0.55 -0.62 0.23 0.00 0.00 176.35 176.80 1upf s ASP 164 N 0.34 -0.83 0.30 2.29 -1.08 -1.02 -2.43 116.67 114.25 1upf s ASP 164 Ca -0.00 1.02 -0.01 0.00 -0.52 0.00 0.00 52.55 53.04 1upf s ASP 164 Cb -0.13 1.89 0.48 0.00 -1.46 0.00 0.00 42.92 43.69 1upf s ASP 164 CO 0.01 -0.25 1.94 -0.65 0.52 0.00 0.00 175.17 176.75 1upf h PRO 165 N 8.06 1.05 -6.14 4.34 0.11 -1.82 -3.34 132.00 134.26 1upf h PRO 165 Ca -0.19 -0.06 -0.69 0.00 0.11 0.00 0.00 66.00 65.16 1upf h PRO 165 Cb 1.13 -0.24 -0.29 0.00 0.11 0.00 0.00 31.00 31.71 1upf h PRO 165 CO 0.18 0.70 -0.85 -1.64 -0.21 0.00 0.00 178.00 176.18 1upf s MET 166 N -5.92 2.53 -0.32 1.05 -1.94 -1.26 0.10 119.30 113.54 1upf s MET 166 Ca -0.12 -0.84 -0.01 0.00 -1.71 0.00 0.00 55.69 53.01 1upf s MET 166 Cb 0.19 -2.23 0.11 0.00 2.01 0.00 0.00 34.83 34.91 1upf s MET 166 CO 0.80 0.46 0.14 0.00 -0.01 0.00 0.00 175.02 176.40 1upf n ALA 168 N 4.70 0.00 -0.00 0.00 0.00 -1.26 -1.39 120.51 122.57 1upf n ALA 168 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1upf n ALA 168 Cb 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.72 1upf n ALA 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1upf h THR 169 N 0.00 0.98 0.00 0.00 2.02 -1.92 -0.70 112.91 113.29 1upf h THR 169 Ca 0.00 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.40 1upf h THR 169 Cb 0.00 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1upf h THR 169 CO 0.00 0.56 0.00 0.00 0.37 0.00 0.00 175.52 176.45 1upf n ALA 170 N -2.50 0.00 0.02 6.16 0.00 -1.26 -4.50 120.51 118.44 1upf n ALA 170 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1upf n ALA 170 Cb 1.01 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.35 1upf n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upf h GLY 171 N 0.00 0.00 1.01 0.00 0.00 -1.97 -1.83 103.07 100.28 1upf h GLY 171 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1upf h GLY 171 CO 0.00 -0.05 -0.38 1.76 0.00 0.00 0.00 176.54 177.87 1upf h SER 172 N -0.05 -0.90 -0.41 0.19 0.02 -1.98 -2.85 113.55 107.56 1upf h SER 172 Ca 0.04 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1upf h SER 172 Cb 0.10 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1upf h SER 172 CO -0.08 -0.64 0.16 1.62 -1.14 0.00 0.00 176.83 176.76 1upf h VAL 173 N -1.07 1.18 -0.81 2.27 3.04 -1.94 -1.38 116.25 117.55 1upf h VAL 173 Ca -0.11 -0.59 0.05 0.00 -1.01 0.00 0.00 66.70 65.04 1upf h VAL 173 Cb 0.81 0.66 -0.06 0.00 -2.01 0.00 0.00 31.29 30.69 1upf h VAL 173 CO 0.18 0.23 0.50 0.00 -1.01 0.00 0.00 177.57 177.46 1upf h LYS 175 N 0.92 0.89 -0.17 0.00 3.11 -1.20 -0.77 116.57 119.35 1upf h LYS 175 Ca 0.35 -0.24 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1upf h LYS 175 Cb 0.13 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1upf h LYS 175 CO -0.16 0.87 0.10 0.00 -2.81 0.00 0.00 179.45 177.44 1upf h ALA 176 N 1.20 0.22 0.04 5.00 0.00 -0.14 -2.34 119.26 123.24 1upf h ALA 176 Ca 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1upf h ALA 176 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1upf h ALA 176 CO 0.02 -0.25 -0.16 0.82 0.00 0.00 0.00 179.25 179.68 1upf h ILE 177 N 0.18 0.63 -0.82 0.00 2.04 -0.15 -2.17 117.51 117.21 1upf h ILE 177 Ca 0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.12 1upf h ILE 177 Cb 0.06 0.63 -0.14 0.00 -0.74 0.00 0.00 36.82 36.62 1upf h ILE 177 CO -0.01 0.00 0.03 -0.08 0.00 0.00 0.00 178.15 178.09 1upf h GLU 178 N -0.28 0.09 -0.28 2.37 4.81 -1.00 0.28 114.58 120.57 1upf h GLU 178 Ca 0.04 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1upf h GLU 178 Cb 0.32 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1upf h GLU 178 CO -0.12 0.06 -0.33 -0.39 -0.73 0.00 0.00 179.01 177.50 1upf h VAL 179 N 0.10 1.29 -0.43 0.32 -1.51 -0.86 0.10 116.25 115.26 1upf h VAL 179 Ca 0.47 -1.45 -0.08 0.00 -1.23 0.00 0.00 66.70 64.40 1upf h VAL 179 Cb 0.86 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 31.43 1upf h VAL 179 CO -0.73 0.47 -0.05 -0.07 -1.23 0.00 0.00 177.57 175.96 1upf h LEU 180 N 0.52 0.71 -0.93 4.19 3.38 -0.31 0.61 115.31 123.47 1upf h LEU 180 Ca 0.06 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1upf h LEU 180 Cb 0.82 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1upf h LEU 180 CO 0.07 0.81 -0.16 -0.07 0.09 0.00 0.00 178.44 179.18 1upf h LEU 181 N 0.68 0.59 -1.27 1.67 3.38 0.11 -0.97 115.31 119.50 1upf h LEU 181 Ca 0.13 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1upf h LEU 181 Cb 0.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1upf h LEU 181 CO 0.03 0.77 -0.31 0.08 0.09 0.00 0.00 178.44 179.10 1upf h ARG 182 N 0.54 0.09 0.00 1.13 -0.00 -0.07 0.10 114.38 116.18 1upf h ARG 182 Ca 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.04 1upf h ARG 182 Cb 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1upf h ARG 182 CO 0.04 0.40 0.00 1.28 -0.00 0.00 0.00 179.97 181.69 1upf n LEU 183 N -4.15 0.00 0.00 0.08 4.77 0.12 -4.93 117.00 112.89 1upf n LEU 183 Ca -0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1upf n LEU 183 Cb 0.37 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1upf n LEU 183 CO 0.39 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1upf n GLY 184 N 1.28 0.95 3.80 -0.72 0.00 0.36 -4.63 105.19 106.22 1upf n GLY 184 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1upf n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upf s VAL 185 N -2.00 3.83 0.02 1.61 -7.23 -0.45 -4.67 120.40 111.51 1upf s VAL 185 Ca 0.00 1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.93 1upf s VAL 185 Cb 0.00 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 1upf s VAL 185 CO 0.00 -0.32 0.97 -0.54 -0.31 0.00 0.00 175.10 174.89 1upf s LYS 186 N -3.47 4.58 0.28 4.82 3.01 -1.26 -4.54 119.74 123.15 1upf s LYS 186 Ca 0.66 1.41 -0.01 0.00 -1.01 0.00 0.00 55.97 57.02 1upf s LYS 186 Cb -0.16 -3.45 0.47 0.00 -1.01 0.00 0.00 37.83 33.69 1upf s LYS 186 CO 0.24 -0.00 1.87 1.49 0.51 0.00 0.00 175.35 179.46 1upf h GLU 187 N 6.61 1.07 0.00 1.68 4.81 -1.93 0.15 114.58 126.97 1upf h GLU 187 Ca -0.41 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1upf h GLU 187 Cb 1.22 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1upf h GLU 187 CO 0.74 0.71 0.00 -0.85 -0.73 0.00 0.00 179.01 178.88 1upf n GLU 188 N -4.54 0.19 -0.34 1.92 0.00 -1.25 -2.52 120.64 114.09 1upf n GLU 188 Ca 0.16 0.41 0.09 0.00 0.00 0.00 0.00 57.16 57.83 1upf n GLU 188 Cb 0.24 -1.85 0.27 0.00 0.00 0.00 0.00 31.44 30.10 1upf n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1upf n ARG 189 N -2.21 2.53 -4.01 3.44 1.74 0.51 -4.82 116.66 113.85 1upf n ARG 189 Ca 0.02 -2.21 -0.35 0.00 -0.77 0.00 0.00 57.85 54.54 1upf n ARG 189 Cb 0.24 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 30.04 1upf n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1upf s ILE 190 N -1.28 4.24 -0.33 0.55 1.01 -1.05 -0.54 121.20 123.81 1upf s ILE 190 Ca 0.41 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 1upf s ILE 190 Cb 0.22 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.81 1upf s ILE 190 CO 0.27 0.42 0.06 -0.63 0.00 0.00 0.00 174.94 175.06 1upf s ILE 191 N 0.95 3.34 -0.45 2.92 1.01 0.92 -1.61 121.20 128.28 1upf s ILE 191 Ca 0.02 -1.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.08 1upf s ILE 191 Cb -0.14 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.41 1upf s ILE 191 CO 0.02 -0.19 0.88 0.12 0.00 0.00 0.00 174.94 175.77 1upf s PHE 192 N 1.30 2.95 -0.43 3.97 5.36 0.36 -0.78 117.98 130.71 1upf s PHE 192 Ca -0.02 0.32 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 1upf s PHE 192 Cb -0.20 -3.85 0.03 0.00 -0.34 0.00 0.00 43.02 38.65 1upf s PHE 192 CO 0.00 -1.05 0.54 0.08 -1.46 0.00 0.00 175.22 173.33 1upf s VAL 193 N 3.59 4.96 0.05 3.12 1.01 0.17 -0.55 120.40 132.75 1upf s VAL 193 Ca 0.35 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1upf s VAL 193 Cb -0.11 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1upf s VAL 193 CO 0.25 -0.53 -0.16 0.21 0.00 0.00 0.00 175.10 174.87 1upf s ASN 194 N 1.95 1.95 -0.14 3.32 3.84 -0.15 -2.42 114.94 123.28 1upf s ASN 194 Ca 0.17 -0.52 -0.14 0.00 0.21 0.00 0.00 52.86 52.59 1upf s ASN 194 Cb -0.16 -0.13 -0.24 0.00 -0.55 0.00 0.00 41.25 40.17 1upf s ASN 194 CO 0.16 0.05 0.37 0.40 -2.79 0.00 0.00 177.10 175.29 1upf h ILE 195 N 4.40 0.82 -3.85 -5.21 2.04 -0.68 -3.06 117.51 111.98 1upf h ILE 195 Ca -0.40 -2.30 -0.28 0.00 1.00 0.00 0.00 64.86 62.87 1upf h ILE 195 Cb 1.18 2.47 -0.28 0.00 -0.74 0.00 0.00 36.82 39.45 1upf h ILE 195 CO 0.43 0.66 -0.74 -0.22 0.00 0.00 0.00 178.15 178.28 1upf s LEU 196 N -7.44 2.03 0.11 1.44 2.96 0.29 -2.93 118.68 115.14 1upf s LEU 196 Ca -0.24 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1upf s LEU 196 Cb 0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 1upf s LEU 196 CO 0.71 0.02 -0.05 0.00 -1.32 0.00 0.00 176.35 175.71 1upf s ALA 197 N -0.18 1.04 0.13 5.97 0.00 -0.68 -0.96 121.76 127.08 1upf s ALA 197 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 51.96 50.67 1upf s ALA 197 Cb -0.02 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1upf s ALA 197 CO -0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 175.76 175.23 1upf s ALA 198 N -3.65 2.36 0.19 0.00 0.00 -0.48 0.09 121.76 120.27 1upf s ALA 198 Ca 0.15 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 1upf s ALA 198 Cb 0.06 -0.38 0.20 0.00 0.00 0.00 0.00 23.12 22.99 1upf s ALA 198 CO -0.03 0.54 1.68 -1.35 0.00 0.00 0.00 175.76 176.60 1upf h PRO 199 N 3.91 0.12 -0.47 0.00 0.11 -1.84 -1.65 132.00 132.18 1upf h PRO 199 Ca -0.51 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.69 1upf h PRO 199 Cb 1.17 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 1upf h PRO 199 CO 0.39 0.08 -0.17 1.96 -0.21 0.00 0.00 178.00 180.05 1upf h GLN 200 N 0.12 -0.06 -0.14 1.05 7.50 -1.94 0.51 115.11 122.16 1upf h GLN 200 Ca 0.26 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.46 1upf h GLN 200 Cb 0.39 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.88 1upf h GLN 200 CO -0.42 -0.04 -0.23 0.78 -1.50 0.00 0.00 178.83 177.42 1upf h GLY 201 N -0.06 -0.23 0.98 3.46 0.00 -0.23 -0.94 103.07 106.06 1upf h GLY 201 Ca 0.23 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1upf h GLY 201 CO -0.52 -0.19 0.25 -2.22 0.00 0.00 0.00 176.54 173.86 1upf h ILE 202 N -0.29 1.20 -0.58 2.60 2.04 -0.34 -1.98 117.51 120.15 1upf h ILE 202 Ca 0.10 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1upf h ILE 202 Cb 0.44 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1upf h ILE 202 CO -0.30 0.22 0.36 -0.33 0.00 0.00 0.00 178.15 178.10 1upf h GLU 203 N 0.70 0.69 0.10 2.37 5.08 -0.50 -1.78 114.58 121.24 1upf h GLU 203 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1upf h GLU 203 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1upf h GLU 203 CO -0.02 0.46 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.25 1upf h ARG 204 N 0.71 -0.22 -0.96 2.33 1.12 -0.82 0.26 114.38 116.80 1upf h ARG 204 Ca 0.23 0.01 0.11 0.00 -1.11 0.00 0.00 59.98 59.23 1upf h ARG 204 Cb 0.01 0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 29.94 1upf h ARG 204 CO -0.09 -0.14 0.61 -0.24 -3.11 0.00 0.00 179.97 177.00 1upf h VAL 205 N -0.22 0.95 -0.03 0.20 3.04 -1.20 -1.44 116.25 117.54 1upf h VAL 205 Ca 0.01 -0.33 -0.20 0.00 -1.01 0.00 0.00 66.70 65.17 1upf h VAL 205 Cb 0.22 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.39 1upf h VAL 205 CO -0.03 0.18 -0.82 -0.26 -1.01 0.00 0.00 177.57 175.62 1upf h PHE 206 N 0.96 0.49 -0.80 3.17 0.04 -0.68 0.49 116.94 120.61 1upf h PHE 206 Ca 0.46 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.99 1upf h PHE 206 Cb 0.45 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 1upf h PHE 206 CO -0.00 1.03 0.52 1.57 -0.60 0.00 0.00 178.31 180.83 1upf h LYS 207 N 0.22 1.06 0.16 1.51 2.10 0.27 -2.55 116.57 119.34 1upf h LYS 207 Ca -0.05 -0.07 -0.26 0.00 -2.00 0.00 0.00 60.65 58.27 1upf h LYS 207 Cb 1.43 -0.24 0.03 0.00 -0.90 0.00 0.00 32.23 32.55 1upf h LYS 207 CO 0.14 0.71 -1.11 0.93 -2.00 0.00 0.00 179.45 178.12 1upf h GLU 208 N 1.09 0.47 -2.31 0.07 5.08 -1.17 -3.41 114.58 114.40 1upf h GLU 208 Ca 0.29 -0.72 -0.58 0.00 -1.00 0.00 0.00 59.36 57.35 1upf h GLU 208 Cb -0.11 0.26 -0.38 0.00 0.50 0.00 0.00 28.75 29.02 1upf h GLU 208 CO -0.06 1.33 -0.99 0.66 -1.00 0.00 0.00 179.01 178.94 1upf n TYR 209 N -3.93 -0.89 0.24 4.33 4.01 0.17 -4.97 117.16 116.11 1upf n TYR 209 Ca -0.14 -3.32 0.18 0.00 -0.16 0.00 0.00 57.90 54.45 1upf n TYR 209 Cb 0.94 0.20 0.88 0.00 -0.31 0.00 0.00 39.34 41.05 1upf n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upf h PRO 210 N 5.44 0.00 -0.00 -0.72 0.14 -1.60 -2.86 132.00 132.39 1upf h PRO 210 Ca 0.25 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.39 1upf h PRO 210 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.05 1upf h PRO 210 CO 0.38 0.00 -0.10 1.63 0.14 0.00 0.00 178.00 180.05 1upf n LYS 211 N -3.60 0.66 -2.08 0.86 5.02 -1.26 -4.91 118.16 112.85 1upf n LYS 211 Ca 0.01 -0.21 -0.27 0.00 -2.02 0.00 0.00 58.31 55.81 1upf n LYS 211 Cb 0.30 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1upf n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1upf s VAL 212 N -2.48 2.42 -0.00 -0.18 -7.23 -1.08 -3.97 120.40 107.88 1upf s VAL 212 Ca 0.29 -0.08 0.05 0.00 -1.81 0.00 0.00 61.98 60.44 1upf s VAL 212 Cb 0.20 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1upf s VAL 212 CO 0.47 -0.10 -0.16 -0.60 -0.31 0.00 0.00 175.10 174.40 1upf s ARG 213 N -5.35 2.30 -0.11 4.82 3.52 -0.64 -4.87 118.95 118.63 1upf s ARG 213 Ca 0.60 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 1upf s ARG 213 Cb -0.11 -2.29 0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1upf s ARG 213 CO 0.47 0.58 -0.11 1.41 -0.81 0.00 0.00 175.30 176.84 1upf s MET 214 N -1.09 1.87 -0.17 5.12 -2.45 -0.81 0.14 119.30 121.90 1upf s MET 214 Ca 0.13 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1upf s MET 214 Cb -0.11 -1.72 -0.00 0.00 1.25 0.00 0.00 34.83 34.25 1upf s MET 214 CO 0.03 -0.16 -0.12 0.08 1.05 0.00 0.00 175.02 175.91 1upf s VAL 215 N 1.30 2.91 0.28 10.11 1.01 0.29 0.69 120.40 136.98 1upf s VAL 215 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1upf s VAL 215 Cb -0.14 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1upf s VAL 215 CO -0.05 0.49 0.07 0.28 0.00 0.00 0.00 175.10 175.89 1upf s THR 216 N 0.98 0.86 -0.78 3.92 -1.32 0.42 -0.98 115.64 118.73 1upf s THR 216 Ca -0.02 -2.00 0.13 0.00 -1.21 0.00 0.00 61.69 58.59 1upf s THR 216 Cb -0.15 -2.64 -0.11 0.00 -1.51 0.00 0.00 72.50 68.10 1upf s THR 216 CO -0.02 -0.06 0.62 0.00 -2.21 0.00 0.00 174.62 172.95 1upf n ALA 217 N -0.53 3.57 -3.63 11.08 0.00 -1.16 -1.19 120.51 128.66 1upf n ALA 217 Ca -0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 1upf n ALA 217 Cb 0.66 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 1upf n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upf s ALA 218 N -2.12 -2.09 -0.14 0.00 0.00 -1.15 -4.70 121.76 111.55 1upf s ALA 218 Ca 0.07 1.79 0.01 0.00 0.00 0.00 0.00 51.96 53.83 1upf s ALA 218 Cb 0.10 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1upf s ALA 218 CO 0.50 -0.23 -0.14 0.14 0.00 0.00 0.00 175.76 176.03 1upf s VAL 219 N -0.80 1.55 0.84 0.00 -7.23 -1.26 -1.69 120.40 111.82 1upf s VAL 219 Ca 0.06 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 1upf s VAL 219 Cb -0.02 -1.45 0.19 0.00 0.56 0.00 0.00 36.38 35.66 1upf s VAL 219 CO -0.07 0.45 1.14 0.47 -0.31 0.00 0.00 175.10 176.78 1upf n ASP 220 N 4.64 0.43 -0.03 4.85 9.92 0.11 -4.96 116.55 131.51 1upf n ASP 220 Ca -0.17 -1.62 -0.16 0.00 -0.53 0.00 0.00 54.79 52.31 1upf n ASP 220 Cb 0.50 -0.84 -0.13 0.00 -0.64 0.00 0.00 41.12 40.01 1upf n ASP 220 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1upf h ILE 221 N -1.39 1.70 -2.02 0.53 1.08 -1.49 -3.39 117.51 112.53 1upf h ILE 221 Ca -0.37 -2.39 0.02 0.00 -0.39 0.00 0.00 64.86 61.72 1upf h ILE 221 Cb 1.10 3.31 -0.00 0.00 -3.07 0.00 0.00 36.82 38.17 1upf h ILE 221 CO 0.29 0.64 0.10 0.00 -0.69 0.00 0.00 178.15 178.50 1upf s LEU 223 N 0.00 4.00 0.97 0.00 1.43 -1.25 0.54 118.68 124.37 1upf s LEU 223 Ca 0.05 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1upf s LEU 223 Cb -0.01 -2.56 0.20 0.00 0.03 0.00 0.00 46.19 43.85 1upf s LEU 223 CO 0.02 0.20 1.29 0.54 0.23 0.00 0.00 176.35 178.64 1upf s ASN 224 N -2.23 3.06 0.50 2.29 2.20 0.78 -4.81 114.94 116.74 1upf s ASN 224 Ca 0.29 0.35 0.23 0.00 -0.94 0.00 0.00 52.86 52.79 1upf s ASN 224 Cb -0.12 -0.45 1.30 0.00 -2.00 0.00 0.00 41.25 39.98 1upf s ASN 224 CO 0.21 -2.77 1.95 0.28 -2.94 0.00 0.00 177.10 173.83 1upf h SER 225 N -1.67 0.13 -0.50 3.54 0.02 -2.00 0.17 113.55 113.25 1upf h SER 225 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1upf h SER 225 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1upf h SER 225 CO 0.40 0.06 0.00 -1.14 -1.14 0.00 0.00 176.83 175.02 1upf n ARG 226 N -4.39 2.84 -1.13 3.45 0.00 -1.26 -4.94 116.66 111.23 1upf n ARG 226 Ca 0.13 -2.08 -0.03 0.00 -0.00 0.00 0.00 57.85 55.87 1upf n ARG 226 Cb 0.66 -1.66 -0.01 0.00 0.00 0.00 0.00 32.46 31.45 1upf n ARG 226 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1upf n TYR 227 N 0.86 -0.01 -3.99 -0.14 4.02 0.60 -5.04 117.16 113.47 1upf n TYR 227 Ca 0.19 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.76 1upf n TYR 227 Cb 0.64 -0.95 -0.05 0.00 -0.02 0.00 0.00 39.34 38.96 1upf n TYR 227 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1upf s TYR 228 N -2.11 3.39 0.13 -0.72 1.51 -1.26 -4.74 117.35 113.54 1upf s TYR 228 Ca 0.00 0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 56.02 1upf s TYR 228 Cb 0.00 -1.73 -0.07 0.00 -0.11 0.00 0.00 41.96 40.05 1upf s TYR 228 CO 0.00 0.57 0.77 0.42 -1.11 0.00 0.00 175.55 176.21 1upf s ILE 229 N -1.38 4.48 0.05 2.71 1.01 -1.26 0.28 121.20 127.09 1upf s ILE 229 Ca 0.30 1.68 0.07 0.00 0.00 0.00 0.00 60.65 62.70 1upf s ILE 229 Cb -0.13 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1upf s ILE 229 CO 0.22 0.47 -0.18 0.68 0.00 0.00 0.00 174.94 176.13 1upf s VAL 230 N -0.79 1.46 0.16 2.92 -7.23 0.19 -2.47 120.40 114.63 1upf s VAL 230 Ca 0.37 -1.20 0.34 0.00 -1.81 0.00 0.00 61.98 59.68 1upf s VAL 230 Cb -0.22 -1.30 0.37 0.00 0.56 0.00 0.00 36.38 35.78 1upf s VAL 230 CO 0.25 0.07 2.03 1.55 -0.31 0.00 0.00 175.10 178.69 1upf h PRO 231 N 4.71 0.00 0.00 4.82 0.13 -1.95 -0.95 132.00 138.77 1upf h PRO 231 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1upf h PRO 231 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1upf h PRO 231 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 1upf n GLY 232 N -0.48 0.33 0.00 1.56 0.00 -1.03 -4.77 105.19 100.79 1upf n GLY 232 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1upf n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1upf n ILE 233 N -0.32 0.00 -2.53 -0.61 0.00 -1.26 -4.82 119.36 109.81 1upf n ILE 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1upf n ILE 233 Cb 0.00 0.96 0.00 0.00 0.00 0.00 0.00 39.64 40.60 1upf n ILE 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1upf n GLY 234 N 0.00 -1.38 3.58 4.50 0.00 -1.26 -4.72 105.19 105.92 1upf n GLY 234 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1upf n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1upf s ASP 235 N -4.00 6.26 0.07 1.61 -1.08 -1.26 -4.89 116.67 113.38 1upf s ASP 235 Ca 0.00 0.39 -0.36 0.00 -0.52 0.00 0.00 52.55 52.06 1upf s ASP 235 Cb 0.00 -2.55 -0.20 0.00 -1.46 0.00 0.00 42.92 38.72 1upf s ASP 235 CO 0.00 -1.58 1.58 0.15 0.52 0.00 0.00 175.17 175.84 1upf h PHE 236 N 10.62 -1.18 -0.96 -5.34 3.57 -1.99 -2.37 116.94 119.28 1upf h PHE 236 Ca -0.26 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.46 1upf h PHE 236 Cb 1.09 0.40 -0.13 0.00 2.79 0.00 0.00 35.95 40.10 1upf h PHE 236 CO 1.02 -0.71 0.51 0.78 -2.23 0.00 0.00 178.31 177.67 1upf h GLY 237 N -1.21 1.79 0.77 2.40 0.00 -1.90 0.91 103.07 105.82 1upf h GLY 237 Ca -0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1upf h GLY 237 CO 0.17 -0.30 -0.21 -0.55 0.00 0.00 0.00 176.54 175.65 1upf h ASP 238 N 0.46 0.45 -0.35 0.19 3.32 -1.92 0.17 116.42 118.75 1upf h ASP 238 Ca 0.63 -0.52 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1upf h ASP 238 Cb 1.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1upf h ASP 238 CO -0.52 0.88 -0.20 0.03 -1.72 0.00 0.00 179.24 177.70 1upf h ARG 239 N 0.04 0.83 0.09 3.56 3.08 -0.57 0.17 114.38 121.59 1upf h ARG 239 Ca 0.02 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1upf h ARG 239 Cb 0.78 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1upf h ARG 239 CO 0.05 0.96 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.95 1upf h TYR 240 N 0.73 -0.12 -0.00 3.04 3.20 0.84 -3.27 116.97 121.39 1upf h TYR 240 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1upf h TYR 240 Cb 0.73 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1upf h TYR 240 CO 0.04 0.22 -0.22 1.19 -1.64 0.00 0.00 178.16 177.76 1upf n PHE 241 N -4.99 0.00 -1.63 -3.82 3.72 0.60 -4.90 117.46 106.44 1upf n PHE 241 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1upf n PHE 241 Cb 0.21 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1upf n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upf n GLY 242 N 1.50 0.90 1.15 1.37 0.00 0.40 -4.99 105.19 105.51 1upf n GLY 242 Ca 0.06 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1upf n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upf n THR 243 N -2.49 0.55 1.50 2.61 -2.24 -0.02 -5.02 114.28 109.18 1upf n THR 243 Ca 0.00 -0.78 0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1upf n THR 243 Cb 0.36 0.94 0.71 0.00 -2.10 0.00 0.00 70.33 70.24 1upf n THR 243 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73