#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqf s ASN 6 N 0.00 6.54 0.27 6.15 3.84 -1.26 -4.94 114.94 125.54 1sqf s ASN 6 Ca 0.00 0.65 0.11 0.00 0.21 0.00 0.00 52.86 53.83 1sqf s ASN 6 Cb 0.00 -2.31 0.35 0.00 -0.55 0.00 0.00 41.25 38.74 1sqf s ASN 6 CO 0.00 -0.29 1.61 -0.07 -2.79 0.00 0.00 177.10 175.55 1sqf h LEU 7 N 8.60 0.00 -0.59 3.21 3.38 -1.99 -2.21 115.31 125.71 1sqf h LEU 7 Ca -0.29 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 1sqf h LEU 7 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1sqf h LEU 7 CO 0.75 0.62 -0.39 0.03 0.09 0.00 0.00 178.44 179.53 1sqf h ARG 8 N 0.00 0.69 -0.16 1.13 -0.00 -1.92 0.36 114.38 114.47 1sqf h ARG 8 Ca -0.01 -0.35 -0.18 0.00 -0.50 0.00 0.00 59.98 58.95 1sqf h ARG 8 Cb 1.11 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.08 1sqf h ARG 8 CO 0.08 0.96 -0.62 0.77 0.00 0.00 0.00 179.97 181.16 1sqf h SER 9 N 0.56 0.65 -0.36 7.04 0.02 -1.83 -0.54 113.55 119.10 1sqf h SER 9 Ca 0.05 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1sqf h SER 9 Cb 0.92 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1sqf h SER 9 CO 0.08 1.12 0.17 0.24 -1.14 0.00 0.00 176.83 177.30 1sqf h MET 10 N 0.42 0.52 -0.71 3.45 2.86 -1.15 -1.99 114.93 118.34 1sqf h MET 10 Ca -0.01 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1sqf h MET 10 Cb 1.19 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 1sqf h MET 10 CO 0.12 0.47 0.28 0.00 1.06 0.00 0.00 176.91 178.84 1sqf h ALA 11 N 1.02 1.16 -0.40 6.32 0.00 -0.85 -0.75 119.26 125.77 1sqf h ALA 11 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1sqf h ALA 11 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sqf h ALA 11 CO -0.02 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 1sqf h ALA 12 N 1.28 1.07 -0.20 0.00 0.00 -0.97 -2.00 119.26 118.44 1sqf h ALA 12 Ca 0.24 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1sqf h ALA 12 Cb 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sqf h ALA 12 CO -0.02 0.57 -0.68 1.96 0.00 0.00 0.00 179.25 181.08 1sqf h GLN 13 N 0.65 0.81 -0.21 0.00 4.20 -0.94 -2.33 115.11 117.29 1sqf h GLN 13 Ca 0.11 -0.61 0.06 0.00 0.06 0.00 0.00 58.65 58.27 1sqf h GLN 13 Cb 0.55 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 1sqf h GLN 13 CO 0.03 1.22 -0.31 0.00 -0.67 0.00 0.00 178.83 179.11 1sqf h ALA 14 N 0.59 -0.28 -0.08 3.87 0.00 -1.09 -2.91 119.26 119.36 1sqf h ALA 14 Ca -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sqf h ALA 14 Cb 1.31 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1sqf h ALA 14 CO 0.14 -0.76 -0.07 0.28 0.00 0.00 0.00 179.25 178.85 1sqf h VAL 15 N -0.33 1.36 -0.91 0.00 2.07 -1.35 -3.22 116.25 113.86 1sqf h VAL 15 Ca 0.12 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1sqf h VAL 15 Cb 0.53 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1sqf h VAL 15 CO -0.40 0.33 0.60 -0.08 0.02 0.00 0.00 177.57 178.04 1sqf h GLU 16 N -0.22 1.07 -0.82 1.57 4.81 -1.48 0.21 114.58 119.72 1sqf h GLU 16 Ca 0.01 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1sqf h GLU 16 Cb 0.57 -0.24 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 1sqf h GLU 16 CO 0.02 0.71 0.45 1.96 -0.73 0.00 0.00 179.01 181.41 1sqf h GLN 17 N 1.10 0.69 0.59 1.92 4.20 -1.54 -1.05 115.11 121.02 1sqf h GLN 17 Ca 0.37 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 1sqf h GLN 17 Cb 0.09 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.72 1sqf h GLN 17 CO -0.13 0.46 -0.28 0.28 -0.67 0.00 0.00 178.83 178.49 1sqf h VAL 18 N 0.71 0.00 -0.26 -0.54 2.07 -0.66 -1.16 116.25 116.41 1sqf h VAL 18 Ca 0.41 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 1sqf h VAL 18 Cb 0.46 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1sqf h VAL 18 CO -0.29 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 177.86 1sqf h VAL 19 N -0.95 1.26 0.00 2.57 2.07 -1.13 0.55 116.25 120.63 1sqf h VAL 19 Ca -0.08 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 1sqf h VAL 19 Cb 0.61 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1sqf h VAL 19 CO 0.13 0.30 -1.02 -0.33 0.02 0.00 0.00 177.57 176.67 1sqf h GLU 20 N 0.24 0.00 -0.00 1.57 4.39 -1.34 -3.38 114.58 116.06 1sqf h GLU 20 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1sqf h GLU 20 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1sqf h GLU 20 CO 0.02 0.23 -0.18 1.04 -1.16 0.00 0.00 179.01 178.96 1sqf n GLN 21 N -2.92 5.34 -1.09 2.33 6.02 -0.55 -5.02 117.38 121.49 1sqf n GLN 21 Ca -0.04 -0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 56.88 1sqf n GLN 21 Cb 0.72 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1sqf n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqf n GLY 22 N 1.06 0.63 3.81 1.08 0.00 0.19 -4.94 105.19 107.02 1sqf n GLY 22 Ca 0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1sqf n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sqf s GLN 23 N -1.83 4.20 0.39 1.61 0.74 -1.08 -4.97 119.66 118.71 1sqf s GLN 23 Ca 0.00 1.18 -0.14 0.00 0.05 0.00 0.00 55.36 56.45 1sqf s GLN 23 Cb 0.00 -2.23 -0.08 0.00 1.10 0.00 0.00 33.01 31.79 1sqf s GLN 23 CO 0.00 -0.06 0.80 -1.12 -0.55 0.00 0.00 175.29 174.36 1sqf s SER 24 N -2.08 6.68 0.29 6.67 0.01 -1.26 -4.07 113.70 119.94 1sqf s SER 24 Ca 0.62 1.31 0.25 0.00 1.31 0.00 0.00 55.95 59.43 1sqf s SER 24 Cb -0.11 -2.39 1.03 0.00 0.21 0.00 0.00 66.02 64.75 1sqf s SER 24 CO 0.15 -0.34 1.74 0.25 0.41 0.00 0.00 173.24 175.46 1sqf h LEU 25 N 1.70 0.00 -0.31 2.44 5.85 -1.96 -2.59 115.31 120.44 1sqf h LEU 25 Ca -0.48 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1sqf h LEU 25 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1sqf h LEU 25 CO 0.64 0.00 -0.41 0.77 -0.34 0.00 0.00 178.44 179.09 1sqf h SER 26 N 0.00 0.00 0.85 1.25 4.64 -2.01 -1.95 113.55 116.33 1sqf h SER 26 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1sqf h SER 26 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1sqf h SER 26 CO 0.00 0.41 -1.18 0.59 -0.87 0.00 0.00 176.83 175.79 1sqf n ASN 27 N -3.28 0.79 -0.06 4.97 3.02 -0.98 -4.50 115.26 115.22 1sqf n ASN 27 Ca 0.01 0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.84 1sqf n ASN 27 Cb 0.65 0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 40.29 1sqf n ASN 27 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sqf n ILE 28 N -2.70 1.15 -0.08 2.41 5.41 -1.15 -4.65 119.36 119.75 1sqf n ILE 28 Ca -0.03 0.27 0.19 0.00 1.00 0.00 0.00 62.75 64.18 1sqf n ILE 28 Cb 0.62 -2.22 0.62 0.00 -0.71 0.00 0.00 39.64 37.96 1sqf n ILE 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1sqf h LEU 29 N -0.80 0.15 0.57 1.39 6.46 -1.59 -3.25 115.31 118.24 1sqf h LEU 29 Ca 0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1sqf h LEU 29 Cb 0.46 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1sqf h LEU 29 CO 0.00 0.08 -0.46 -0.65 -0.62 0.00 0.00 178.44 176.79 1sqf h PRO 30 N 0.16 -0.96 -0.88 5.25 0.11 -1.81 -1.10 132.00 132.77 1sqf h PRO 30 Ca 0.31 0.07 0.08 0.00 0.11 0.00 0.00 66.00 66.57 1sqf h PRO 30 Cb 1.01 0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1sqf h PRO 30 CO -0.05 -0.64 0.57 -1.35 -0.21 0.00 0.00 178.00 176.32 1sqf h PRO 31 N -1.00 0.89 -0.52 1.05 0.11 -1.86 -2.49 132.00 128.19 1sqf h PRO 31 Ca -0.07 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 1sqf h PRO 31 Cb 0.83 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1sqf h PRO 31 CO 0.00 0.59 0.02 -0.07 -0.21 0.00 0.00 178.00 178.33 1sqf h LEU 32 N 0.92 0.82 -0.82 2.35 3.38 -1.51 -2.64 115.31 117.81 1sqf h LEU 32 Ca 0.39 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1sqf h LEU 32 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sqf h LEU 32 CO -0.16 0.88 -0.21 1.56 0.09 0.00 0.00 178.44 180.60 1sqf h GLN 33 N 0.80 0.00 0.00 1.13 4.20 -0.76 -2.55 115.11 117.93 1sqf h GLN 33 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1sqf h GLN 33 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1sqf h GLN 33 CO 0.02 0.21 0.00 1.04 -0.67 0.00 0.00 178.83 179.43 1sqf n GLN 34 N -3.28 0.17 0.00 1.46 3.00 -0.99 -3.04 117.38 114.69 1sqf n GLN 34 Ca 0.01 0.46 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 1sqf n GLN 34 Cb 0.48 -1.87 0.25 0.00 0.00 0.00 0.00 30.24 29.10 1sqf n GLN 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1sqf n LYS 35 N -2.20 1.13 -4.28 -1.09 4.01 -0.96 -4.98 118.16 109.79 1sqf n LYS 35 Ca 0.01 -0.79 -0.15 0.00 -0.51 0.00 0.00 58.31 56.87 1sqf n LYS 35 Cb 0.19 -1.48 -0.10 0.00 -0.51 0.00 0.00 35.03 33.12 1sqf n LYS 35 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1sqf s VAL 36 N -2.41 0.97 0.89 -0.18 -7.23 -1.17 -5.08 120.40 106.20 1sqf s VAL 36 Ca 0.24 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 1sqf s VAL 36 Cb 0.19 -2.13 0.13 0.00 0.56 0.00 0.00 36.38 35.13 1sqf s VAL 36 CO 0.50 -0.49 1.15 -0.94 -0.31 0.00 0.00 175.10 175.01 1sqf s SER 37 N -3.23 3.09 0.25 4.85 1.04 -1.26 -4.59 113.70 113.84 1sqf s SER 37 Ca 0.24 2.20 -0.05 0.00 0.48 0.00 0.00 55.95 58.81 1sqf s SER 37 Cb 0.05 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 64.08 1sqf s SER 37 CO 0.05 -3.00 1.67 0.44 0.98 0.00 0.00 173.24 173.39 1sqf h ASP 38 N -1.71 -0.06 -0.01 7.02 3.32 -1.99 0.28 116.42 123.28 1sqf h ASP 38 Ca -0.43 0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.66 1sqf h ASP 38 Cb 1.27 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1sqf h ASP 38 CO 0.43 -0.07 -0.36 0.11 -1.72 0.00 0.00 179.24 177.62 1sqf h LYS 39 N 0.23 0.49 -0.30 3.56 1.57 -2.00 -1.62 116.57 118.50 1sqf h LYS 39 Ca 0.42 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1sqf h LYS 39 Cb 0.74 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1sqf h LYS 39 CO -0.55 0.79 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.47 1sqf h ASP 40 N 0.42 0.56 0.02 0.86 3.32 -1.49 -2.20 116.42 117.91 1sqf h ASP 40 Ca 0.04 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1sqf h ASP 40 Cb 0.82 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1sqf h ASP 40 CO 0.07 0.77 -0.01 0.11 -1.72 0.00 0.00 179.24 178.46 1sqf h LYS 41 N 0.51 -0.02 -0.02 3.56 1.57 0.44 -1.10 116.57 121.50 1sqf h LYS 41 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1sqf h LYS 41 Cb 0.63 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1sqf h LYS 41 CO 0.04 0.16 -0.15 0.00 -0.57 0.00 0.00 179.45 178.94 1sqf h ALA 42 N 0.77 -0.16 -0.77 3.86 0.00 -1.38 -1.23 119.26 120.34 1sqf h ALA 42 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1sqf h ALA 42 Cb 0.20 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1sqf h ALA 42 CO 0.00 -0.64 0.51 1.25 0.00 0.00 0.00 179.25 180.38 1sqf h LEU 43 N -0.24 0.82 -0.39 0.00 5.85 -1.25 -0.36 115.31 119.74 1sqf h LEU 43 Ca 0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1sqf h LEU 43 Cb 0.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1sqf h LEU 43 CO -0.16 0.57 -0.02 0.25 -0.34 0.00 0.00 178.44 178.74 1sqf h LEU 44 N 0.95 0.70 -0.32 2.25 5.85 -0.84 -0.57 115.31 123.32 1sqf h LEU 44 Ca 0.31 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1sqf h LEU 44 Cb 0.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1sqf h LEU 44 CO -0.09 0.85 0.07 -0.61 -0.34 0.00 0.00 178.44 178.32 1sqf h GLN 45 N 0.53 0.18 -0.54 1.25 4.15 -0.91 -0.59 115.11 119.18 1sqf h GLN 45 Ca 0.11 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1sqf h GLN 45 Cb 0.50 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 1sqf h GLN 45 CO 0.02 0.12 0.32 1.49 -1.93 0.00 0.00 178.83 178.86 1sqf h GLU 46 N 0.19 0.73 -0.18 1.69 4.57 -0.62 -1.65 114.58 119.30 1sqf h GLU 46 Ca 0.15 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1sqf h GLU 46 Cb 0.16 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1sqf h GLU 46 CO -0.19 0.53 0.10 -0.07 -1.18 0.00 0.00 179.01 178.19 1sqf h LEU 47 N 0.72 0.23 0.12 1.64 3.38 -0.74 0.68 115.31 121.34 1sqf h LEU 47 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sqf h LEU 47 Cb -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sqf h LEU 47 CO -0.04 0.26 -0.06 0.00 0.09 0.00 0.00 178.44 178.69 1sqf h PHE 49 N -0.32 0.68 -0.39 0.00 -1.00 -1.34 -1.95 116.94 112.62 1sqf h PHE 49 Ca -0.02 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1sqf h PHE 49 Cb 0.26 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 1sqf h PHE 49 CO -0.02 0.65 0.25 0.78 -1.61 0.00 0.00 178.31 178.36 1sqf h GLY 50 N 0.52 0.55 0.87 -1.45 0.00 -0.84 0.10 103.07 102.81 1sqf h GLY 50 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1sqf h GLY 50 CO 0.00 0.21 0.01 -2.08 0.00 0.00 0.00 176.54 174.68 1sqf h VAL 51 N 0.52 1.25 -0.88 4.60 2.07 -1.35 -0.35 116.25 122.11 1sqf h VAL 51 Ca 0.14 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1sqf h VAL 51 Cb -0.04 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1sqf h VAL 51 CO -0.03 0.28 0.57 -0.07 0.02 0.00 0.00 177.57 178.35 1sqf h LEU 52 N 0.26 0.90 -0.61 2.57 3.38 -1.11 0.19 115.31 120.89 1sqf h LEU 52 Ca 0.08 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1sqf h LEU 52 Cb 0.40 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1sqf h LEU 52 CO 0.01 0.59 -0.48 -0.09 0.09 0.00 0.00 178.44 178.57 1sqf h ARG 53 N 1.03 0.54 -0.28 1.13 2.43 -0.09 -3.18 114.38 115.96 1sqf h ARG 53 Ca 0.37 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1sqf h ARG 53 Cb 0.13 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sqf h ARG 53 CO -0.13 0.90 0.00 0.25 -1.51 0.00 0.00 179.97 179.49 1sqf n THR 54 N -3.99 1.90 0.17 0.20 -2.24 -0.21 -4.73 114.28 105.39 1sqf n THR 54 Ca -0.02 -1.61 0.04 0.00 -2.27 0.00 0.00 64.05 60.18 1sqf n THR 54 Cb 0.56 -0.03 0.19 0.00 -2.10 0.00 0.00 70.33 68.95 1sqf n THR 54 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sqf h LEU 55 N 1.85 0.00 0.00 3.22 5.85 -0.61 -1.00 115.31 124.61 1sqf h LEU 55 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1sqf h LEU 55 Cb 1.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1sqf h LEU 55 CO 0.16 0.00 -1.29 -1.20 -0.34 0.00 0.00 178.44 175.76 1sqf n SER 56 N -1.94 1.86 -0.23 1.25 7.64 -1.26 -2.60 113.62 118.34 1sqf n SER 56 Ca -0.00 0.42 -0.00 0.00 1.01 0.00 0.00 58.87 60.29 1sqf n SER 56 Cb 0.55 -0.96 0.22 0.00 -1.01 0.00 0.00 64.21 63.01 1sqf n SER 56 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1sqf h GLN 57 N -1.00 1.03 0.00 1.43 4.15 -1.48 -1.24 115.11 117.99 1sqf h GLN 57 Ca -0.36 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1sqf h GLN 57 Cb 1.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1sqf h GLN 57 CO -0.22 0.70 0.00 -0.07 -1.93 0.00 0.00 178.83 177.31 1sqf h LEU 58 N 1.05 0.00 0.00 -2.39 3.38 -1.50 0.14 115.31 115.99 1sqf h LEU 58 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1sqf h LEU 58 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sqf h LEU 58 CO -0.06 0.00 -0.05 -0.78 0.09 0.00 0.00 178.44 177.65 1sqf h ASP 59 N 0.00 0.00 -0.34 -0.43 3.58 -1.38 -2.94 116.42 114.91 1sqf h ASP 59 Ca 0.00 -0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.54 1sqf h ASP 59 Cb 0.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1sqf h ASP 59 CO 0.00 0.53 0.43 -0.25 -2.88 0.00 0.00 179.24 177.07 1sqf h TRP 60 N -1.00 0.00 0.02 0.28 7.01 -0.94 -0.68 115.95 120.64 1sqf h TRP 60 Ca -0.00 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.87 1sqf h TRP 60 Cb 0.06 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1sqf h TRP 60 CO -0.02 0.00 -0.66 -0.07 -2.79 0.00 0.00 178.44 174.90 1sqf h LEU 61 N 0.00 0.06 -0.67 0.65 3.38 -0.86 -3.17 115.31 114.70 1sqf h LEU 61 Ca 0.16 -0.80 0.13 0.00 0.09 0.00 0.00 57.88 57.47 1sqf h LEU 61 Cb 1.01 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 1sqf h LEU 61 CO -0.00 1.27 -0.23 0.40 0.09 0.00 0.00 178.44 179.97 1sqf h ILE 62 N -0.90 0.25 -0.11 1.22 1.08 -1.18 0.71 117.51 118.58 1sqf h ILE 62 Ca -0.17 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1sqf h ILE 62 Cb 1.22 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 1sqf h ILE 62 CO -0.07 0.00 0.05 0.78 -0.69 0.00 0.00 178.15 178.22 1sqf h ASN 63 N -0.05 0.14 1.13 1.72 2.35 -1.26 1.53 115.58 121.14 1sqf h ASN 63 Ca 0.31 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1sqf h ASN 63 Cb 0.53 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1sqf h ASN 63 CO -0.71 0.13 -0.79 0.11 -1.65 0.00 0.00 177.43 174.52 1sqf h LYS 64 N 0.16 0.00 0.16 0.81 1.79 -0.90 -3.33 116.57 115.25 1sqf h LYS 64 Ca 0.04 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.17 1sqf h LYS 64 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1sqf h LYS 64 CO -0.00 0.79 -1.75 -0.07 -1.08 0.00 0.00 179.45 177.33 1sqf h LEU 65 N 0.00 0.52 -8.30 2.94 -0.00 0.07 -3.45 115.31 107.09 1sqf h LEU 65 Ca -0.01 -0.92 -0.68 0.00 -0.00 0.00 0.00 57.88 56.27 1sqf h LEU 65 Cb 1.57 -0.17 -0.28 0.00 -0.00 0.00 0.00 40.66 41.78 1sqf h LEU 65 CO 0.10 1.78 -0.64 -0.04 -0.00 0.00 0.00 178.44 179.64 1sqf s MET 66 N -2.55 2.95 0.24 1.13 -1.94 0.51 -4.94 119.30 114.70 1sqf s MET 66 Ca -0.19 -0.95 -0.04 0.00 -1.71 0.00 0.00 55.69 52.80 1sqf s MET 66 Cb 0.05 -3.32 0.46 0.00 2.01 0.00 0.00 34.83 34.04 1sqf s MET 66 CO 0.81 -0.48 1.70 0.00 -0.01 0.00 0.00 175.02 177.05 1sqf h ALA 67 N 8.19 1.00 -3.47 3.03 0.00 -1.85 -3.29 119.26 122.87 1sqf h ALA 67 Ca -0.30 0.15 -0.64 0.00 0.00 0.00 0.00 54.91 54.12 1sqf h ALA 67 Cb 1.11 0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.67 1sqf h ALA 67 CO 0.60 -0.29 -0.69 1.03 0.00 0.00 0.00 179.25 179.90 1sqf s ARG 68 N -6.03 1.61 0.79 0.00 0.52 -1.26 -5.10 118.95 109.47 1sqf s ARG 68 Ca -0.13 -2.13 -0.14 0.00 -0.52 0.00 0.00 55.73 52.81 1sqf s ARG 68 Cb 0.21 -3.09 0.07 0.00 0.52 0.00 0.00 34.95 32.66 1sqf s ARG 68 CO 0.76 -1.03 1.18 -2.30 0.02 0.00 0.00 175.30 173.93 1sqf n PRO 69 N 3.77 0.30 -2.18 3.54 -0.02 -1.24 -4.91 135.00 134.26 1sqf n PRO 69 Ca 0.04 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1sqf n PRO 69 Cb 0.37 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1sqf n PRO 69 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1sqf s MET 70 N -3.97 4.23 0.43 -0.52 -1.94 -1.26 -5.00 119.30 111.28 1sqf s MET 70 Ca 0.74 1.98 0.03 0.00 -1.71 0.00 0.00 55.69 56.74 1sqf s MET 70 Cb -0.30 -3.76 -0.02 0.00 2.01 0.00 0.00 34.83 32.76 1sqf s MET 70 CO 0.50 -0.70 0.12 0.95 -0.01 0.00 0.00 175.02 175.87 1sqf s THR 71 N 3.23 0.65 0.00 2.05 -4.23 -1.26 -4.49 115.64 111.59 1sqf s THR 71 Ca 0.65 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1sqf s THR 71 Cb -0.30 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1sqf s THR 71 CO 0.25 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1sqf n GLY 72 N -0.98 4.07 0.29 3.99 0.00 -1.26 -1.95 105.19 109.34 1sqf n GLY 72 Ca -0.08 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1sqf n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqf h LYS 73 N 0.00 0.47 -0.99 1.61 1.57 -2.04 -2.87 116.57 114.32 1sqf h LYS 73 Ca 0.00 -0.06 -0.66 0.00 -1.87 0.00 0.00 60.65 58.06 1sqf h LYS 73 Cb 0.00 -0.09 -0.29 0.00 0.08 0.00 0.00 32.23 31.93 1sqf h LYS 73 CO 0.00 0.40 0.83 1.04 -0.57 0.00 0.00 179.45 181.15 1sqf n GLN 74 N -4.40 2.67 0.06 3.15 1.13 -0.82 -4.64 117.38 114.53 1sqf n GLN 74 Ca 0.02 -3.28 -0.15 0.00 -1.94 0.00 0.00 57.00 51.64 1sqf n GLN 74 Cb 0.14 -2.28 -0.06 0.00 0.11 0.00 0.00 30.24 28.15 1sqf n GLN 74 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1sqf h ARG 75 N 1.92 0.51 -0.64 -1.09 9.65 -1.58 -3.11 114.38 120.04 1sqf h ARG 75 Ca 0.61 -0.54 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 1sqf h ARG 75 Cb 1.00 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.69 1sqf h ARG 75 CO 1.54 1.17 0.43 1.15 2.80 0.00 0.00 179.97 187.06 1sqf h THR 76 N 0.29 0.87 0.00 0.20 2.02 -1.86 1.24 112.91 115.67 1sqf h THR 76 Ca -0.09 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1sqf h THR 76 Cb 1.59 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1sqf h THR 76 CO 0.17 0.08 -0.10 0.58 0.37 0.00 0.00 175.52 176.62 1sqf h VAL 77 N 0.42 0.84 -0.19 3.16 2.07 -1.89 0.74 116.25 121.39 1sqf h VAL 77 Ca 0.30 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sqf h VAL 77 Cb 0.61 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1sqf h VAL 77 CO -0.09 0.10 0.12 -0.74 0.02 0.00 0.00 177.57 176.99 1sqf h HIS 78 N 0.00 0.23 -0.11 1.57 6.17 0.15 0.15 115.15 123.32 1sqf h HIS 78 Ca -0.00 0.01 -0.17 0.00 0.71 0.00 0.00 60.37 60.92 1sqf h HIS 78 Cb 0.21 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 1sqf h HIS 78 CO 0.00 0.14 -0.64 1.88 0.71 0.00 0.00 177.93 180.02 1sqf h TYR 79 N 0.25 0.53 -0.16 5.26 0.05 0.35 -0.15 116.97 123.10 1sqf h TYR 79 Ca 0.07 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.62 1sqf h TYR 79 Cb -0.02 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 1sqf h TYR 79 CO -0.07 0.93 0.02 1.25 -1.05 0.00 0.00 178.16 179.24 1sqf h LEU 80 N 0.30 0.26 -1.53 3.88 5.85 0.37 0.20 115.31 124.63 1sqf h LEU 80 Ca -0.01 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1sqf h LEU 80 Cb 1.19 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1sqf h LEU 80 CO 0.11 0.48 0.31 0.40 -0.34 0.00 0.00 178.44 179.40 1sqf h ILE 81 N 0.04 1.12 -0.20 4.05 2.04 -0.53 0.17 117.51 124.19 1sqf h ILE 81 Ca 0.05 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1sqf h ILE 81 Cb 0.33 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1sqf h ILE 81 CO 0.01 0.12 -0.44 0.24 0.00 0.00 0.00 178.15 178.07 1sqf h MET 82 N 0.65 0.50 -0.70 2.37 2.86 -0.03 -0.29 114.93 120.28 1sqf h MET 82 Ca 0.17 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1sqf h MET 82 Cb -0.07 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1sqf h MET 82 CO -0.04 0.85 0.43 0.28 1.06 0.00 0.00 176.91 179.49 1sqf h VAL 83 N 0.41 1.20 -0.31 -2.22 2.07 0.18 0.14 116.25 117.73 1sqf h VAL 83 Ca 0.03 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1sqf h VAL 83 Cb 0.94 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1sqf h VAL 83 CO 0.08 0.20 0.09 1.23 0.02 0.00 0.00 177.57 179.19 1sqf h GLY 84 N 0.95 0.37 1.01 2.17 0.00 -0.32 -2.50 103.07 104.75 1sqf h GLY 84 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1sqf h GLY 84 CO -0.05 0.01 0.46 1.41 0.00 0.00 0.00 176.54 178.37 1sqf h LEU 85 N 0.21 0.94 -1.21 3.11 3.38 -0.56 -0.68 115.31 120.50 1sqf h LEU 85 Ca 0.14 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1sqf h LEU 85 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1sqf h LEU 85 CO -0.16 0.74 0.56 0.22 0.09 0.00 0.00 178.44 179.89 1sqf h TYR 86 N 1.07 0.96 -0.17 1.13 3.20 -0.52 -1.19 116.97 121.45 1sqf h TYR 86 Ca 0.28 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.98 1sqf h TYR 86 Cb -0.02 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 37.94 1sqf h TYR 86 CO -0.01 0.51 -0.64 1.96 -1.64 0.00 0.00 178.16 178.34 1sqf h GLN 87 N 0.95 0.73 0.00 1.82 4.20 -0.80 0.55 115.11 122.56 1sqf h GLN 87 Ca 0.37 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1sqf h GLN 87 Cb 0.21 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1sqf h GLN 87 CO -0.13 1.18 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.98 1sqf h LEU 88 N 0.44 0.00 0.10 1.46 3.38 -0.76 -2.87 115.31 117.06 1sqf h LEU 88 Ca -0.03 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 1sqf h LEU 88 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1sqf h LEU 88 CO 0.13 0.15 -2.08 0.18 0.09 0.00 0.00 178.44 176.92 1sqf n LEU 89 N -3.78 2.70 -0.05 1.67 4.77 -0.49 -4.72 117.00 117.11 1sqf n LEU 89 Ca -0.02 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1sqf n LEU 89 Cb 0.26 -1.08 0.04 0.00 -2.33 0.00 0.00 43.42 40.31 1sqf n LEU 89 CO 0.32 0.87 0.49 -1.22 -1.33 0.00 0.00 177.39 176.51 1sqf n TYR 90 N -3.45 0.00 -4.28 -1.77 4.01 0.16 -5.05 117.16 106.78 1sqf n TYR 90 Ca -0.34 -0.58 -0.16 0.00 -0.16 0.00 0.00 57.90 56.65 1sqf n TYR 90 Cb 1.04 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.89 1sqf n TYR 90 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1sqf s THR 91 N -1.44 0.31 -0.44 -0.72 -4.23 -1.08 -5.00 115.64 103.03 1sqf s THR 91 Ca 0.10 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1sqf s THR 91 Cb 0.09 -2.56 0.43 0.00 1.34 0.00 0.00 72.50 71.80 1sqf s THR 91 CO 0.01 0.00 1.32 0.54 -0.54 0.00 0.00 174.62 175.95 1sqf n ARG 92 N -0.43 3.37 -2.23 3.99 3.00 -1.26 -4.81 116.66 118.28 1sqf n ARG 92 Ca 0.01 -4.16 -0.41 0.00 -0.01 0.00 0.00 57.85 53.27 1sqf n ARG 92 Cb 0.66 -2.27 -0.03 0.00 0.00 0.00 0.00 32.46 30.82 1sqf n ARG 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1sqf s ILE 93 N -5.06 3.22 -0.25 0.55 1.01 -1.26 -4.90 121.20 114.50 1sqf s ILE 93 Ca 0.51 1.02 -0.42 0.00 0.00 0.00 0.00 60.65 61.76 1sqf s ILE 93 Cb 0.42 -3.65 -0.18 0.00 0.01 0.00 0.00 42.46 39.06 1sqf s ILE 93 CO -0.11 0.16 1.55 -2.65 0.00 0.00 0.00 174.94 173.89 1sqf n PRO 94 N 2.49 0.65 -0.09 2.79 -0.02 -1.26 -4.70 135.00 134.86 1sqf n PRO 94 Ca 0.05 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1sqf n PRO 94 Cb 0.43 -1.83 0.35 0.00 -0.02 0.00 0.00 33.50 32.43 1sqf n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sqf h PRO 95 N 5.57 0.72 -0.15 0.52 0.11 -1.97 0.44 132.00 137.24 1sqf h PRO 95 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1sqf h PRO 95 Cb 1.35 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1sqf h PRO 95 CO 0.90 0.47 -0.11 1.12 -0.21 0.00 0.00 178.00 180.18 1sqf h HIS 96 N 0.74 0.24 -0.07 0.65 2.07 -1.99 0.37 115.15 117.16 1sqf h HIS 96 Ca 0.21 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.65 1sqf h HIS 96 Cb -0.07 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 29.85 1sqf h HIS 96 CO -0.00 0.34 -0.18 0.00 -3.07 0.00 0.00 177.93 175.02 1sqf h ALA 97 N 1.68 0.12 -0.61 6.11 0.00 -0.59 0.28 119.26 126.25 1sqf h ALA 97 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1sqf h ALA 97 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1sqf h ALA 97 CO 0.02 0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.66 1sqf h ALA 98 N 0.46 0.77 0.03 0.00 0.00 -0.42 -1.23 119.26 118.88 1sqf h ALA 98 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sqf h ALA 98 Cb 0.79 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1sqf h ALA 98 CO 0.04 0.29 -0.08 -0.07 0.00 0.00 0.00 179.25 179.42 1sqf h LEU 99 N 0.82 -0.23 -0.38 0.00 4.07 -0.33 -1.78 115.31 117.49 1sqf h LEU 99 Ca 0.21 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.21 1sqf h LEU 99 Cb 0.03 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1sqf h LEU 99 CO -0.04 -0.12 0.24 0.00 -1.08 0.00 0.00 178.44 177.44 1sqf h ALA 100 N 0.80 0.47 -0.08 1.53 0.00 -0.49 0.40 119.26 121.91 1sqf h ALA 100 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1sqf h ALA 100 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sqf h ALA 100 CO -0.06 -0.09 -0.63 0.93 0.00 0.00 0.00 179.25 179.39 1sqf h GLU 101 N 0.49 0.28 -0.26 0.00 4.39 -1.26 -1.20 114.58 117.02 1sqf h GLU 101 Ca 0.14 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1sqf h GLU 101 Cb -0.03 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1sqf h GLU 101 CO -0.04 0.82 -0.19 1.15 -1.16 0.00 0.00 179.01 179.59 1sqf h THR 102 N 0.21 1.31 -0.39 1.13 2.02 -0.99 -0.86 112.91 115.33 1sqf h THR 102 Ca -0.01 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1sqf h THR 102 Cb 1.16 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1sqf h THR 102 CO 0.10 0.41 0.13 0.58 0.37 0.00 0.00 175.52 177.12 1sqf h VAL 103 N 0.31 1.21 0.00 3.16 2.07 -0.79 -2.12 116.25 120.10 1sqf h VAL 103 Ca 0.05 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1sqf h VAL 103 Cb 0.72 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1sqf h VAL 103 CO 0.05 0.24 -0.11 -0.08 0.02 0.00 0.00 177.57 177.69 1sqf h GLU 104 N 0.49 0.00 0.00 1.57 4.57 -1.18 0.40 114.58 120.43 1sqf h GLU 104 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1sqf h GLU 104 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1sqf h GLU 104 CO -0.01 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 178.35 1sqf n GLY 105 N -0.39 -0.80 0.16 1.92 0.00 -0.33 -1.96 105.19 103.79 1sqf n GLY 105 Ca -0.01 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1sqf n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqf h ALA 106 N 2.13 1.00 0.10 4.61 0.00 -0.96 -2.04 119.26 124.10 1sqf h ALA 106 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1sqf h ALA 106 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sqf h ALA 106 CO 0.00 0.00 -1.51 0.97 0.00 0.00 0.00 179.25 178.71 1sqf h ILE 107 N 0.00 1.17 0.00 0.00 6.09 -1.61 0.20 117.51 123.36 1sqf h ILE 107 Ca 0.00 -2.83 -0.05 0.00 -1.37 0.00 0.00 64.86 60.61 1sqf h ILE 107 Cb 0.31 2.74 -0.01 0.00 0.47 0.00 0.00 36.82 40.34 1sqf h ILE 107 CO 0.00 0.81 -0.24 0.00 -3.07 0.00 0.00 178.15 175.65 1sqf h ALA 108 N 0.55 0.94 -0.25 0.18 0.00 -1.52 -2.69 119.26 116.47 1sqf h ALA 108 Ca -0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sqf h ALA 108 Cb 2.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1sqf h ALA 108 CO 0.15 0.30 0.00 0.44 0.00 0.00 0.00 179.25 180.15 1sqf n ILE 109 N -3.30 1.19 -4.03 0.00 -5.35 -0.84 -4.92 119.36 102.11 1sqf n ILE 109 Ca 0.01 -0.61 -0.29 0.00 -0.27 0.00 0.00 62.75 61.59 1sqf n ILE 109 Cb 0.50 -0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 37.98 1sqf n ILE 109 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sqf n LYS 110 N 0.28 -3.37 -2.88 6.28 4.01 -1.01 -4.90 118.16 116.56 1sqf n LYS 110 Ca 0.12 0.40 -0.12 0.00 -0.51 0.00 0.00 58.31 58.20 1sqf n LYS 110 Cb 0.66 -4.74 0.02 0.00 -0.51 0.00 0.00 35.03 30.46 1sqf n LYS 110 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1sqf n ARG 111 N -4.42 1.07 0.29 1.97 5.12 0.68 -4.97 116.66 116.39 1sqf n ARG 111 Ca -0.18 -2.97 0.16 0.00 -1.93 0.00 0.00 57.85 52.94 1sqf n ARG 111 Cb 0.62 -1.26 0.89 0.00 -1.16 0.00 0.00 32.46 31.55 1sqf n ARG 111 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1sqf h PRO 112 N 2.88 0.00 0.00 5.56 0.14 -1.87 -0.25 132.00 138.46 1sqf h PRO 112 Ca -0.04 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.10 1sqf h PRO 112 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.24 1sqf h PRO 112 CO 0.39 0.05 0.00 0.00 0.14 0.00 0.00 178.00 178.58 1sqf n GLN 113 N -3.47 0.12 -0.58 0.86 0.00 -1.26 -2.37 117.38 110.69 1sqf n GLN 113 Ca -0.02 0.37 0.06 0.00 0.00 0.00 0.00 57.00 57.41 1sqf n GLN 113 Cb 0.17 -1.74 0.29 0.00 0.00 0.00 0.00 30.24 28.97 1sqf n GLN 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1sqf n LEU 114 N -1.97 4.18 -0.31 2.61 7.99 -0.11 -4.18 117.00 125.22 1sqf n LEU 114 Ca 0.02 -2.12 -0.05 0.00 -0.01 0.00 0.00 56.01 53.86 1sqf n LEU 114 Cb 0.20 -0.57 0.08 0.00 -0.11 0.00 0.00 43.42 43.02 1sqf n LEU 114 CO 0.17 0.60 1.13 0.11 -1.51 0.00 0.00 177.39 177.89 1sqf h LYS 115 N 3.13 1.19 -0.37 3.23 1.57 -1.64 0.34 116.57 124.04 1sqf h LYS 115 Ca 0.00 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1sqf h LYS 115 Cb 1.39 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1sqf h LYS 115 CO 0.27 0.90 -0.27 0.78 -0.57 0.00 0.00 179.45 180.56 1sqf h GLY 116 N 1.19 0.83 0.74 3.86 0.00 -1.85 0.71 103.07 108.55 1sqf h GLY 116 Ca 0.29 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1sqf h GLY 116 CO -0.04 0.67 0.00 -2.00 0.00 0.00 0.00 176.54 175.17 1sqf h LEU 117 N 0.65 0.10 -0.30 3.11 6.46 -1.54 0.94 115.31 124.74 1sqf h LEU 117 Ca 0.08 -0.29 0.07 0.00 -0.12 0.00 0.00 57.88 57.62 1sqf h LEU 117 Cb 0.79 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.63 1sqf h LEU 117 CO 0.07 0.37 -0.18 0.40 -0.62 0.00 0.00 178.44 178.48 1sqf h ILE 118 N -0.17 0.49 -0.03 4.05 2.04 -0.24 0.25 117.51 123.90 1sqf h ILE 118 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1sqf h ILE 118 Cb 0.31 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1sqf h ILE 118 CO 0.00 0.00 -0.12 -1.13 0.00 0.00 0.00 178.15 176.90 1sqf h ASN 119 N -0.14 -0.37 -0.59 1.72 -1.24 -0.53 -1.74 115.58 112.68 1sqf h ASN 119 Ca 0.16 0.06 0.12 0.00 0.71 0.00 0.00 56.30 57.35 1sqf h ASN 119 Cb 0.38 0.16 -0.10 0.00 0.73 0.00 0.00 38.32 39.50 1sqf h ASN 119 CO -0.39 -0.17 0.04 1.23 -1.29 0.00 0.00 177.43 176.85 1sqf h GLY 120 N -0.20 0.67 0.77 1.57 0.00 0.15 0.24 103.07 106.27 1sqf h GLY 120 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1sqf h GLY 120 CO -0.15 -0.17 -0.03 -2.08 0.00 0.00 0.00 176.54 174.12 1sqf h VAL 121 N 0.16 1.28 -0.50 4.60 2.07 -0.04 -0.46 116.25 123.36 1sqf h VAL 121 Ca 0.31 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1sqf h VAL 121 Cb 0.49 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1sqf h VAL 121 CO -0.47 0.28 0.21 -0.07 0.02 0.00 0.00 177.57 177.54 1sqf h LEU 122 N -0.01 0.26 -0.68 2.57 3.38 -0.91 0.13 115.31 120.05 1sqf h LEU 122 Ca 0.04 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1sqf h LEU 122 Cb 0.45 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1sqf h LEU 122 CO 0.01 0.18 -0.23 0.03 0.09 0.00 0.00 178.44 178.52 1sqf h ARG 123 N 0.41 0.78 -0.89 1.13 3.08 -0.44 -0.14 114.38 118.31 1sqf h ARG 123 Ca 0.23 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1sqf h ARG 123 Cb 0.20 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1sqf h ARG 123 CO -0.20 0.93 0.59 0.37 -1.07 0.00 0.00 179.97 180.59 1sqf h GLN 124 N 0.68 1.13 -0.64 0.04 4.15 -0.31 0.77 115.11 120.93 1sqf h GLN 124 Ca 0.09 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 1sqf h GLN 124 Cb 0.74 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1sqf h GLN 124 CO 0.06 0.75 0.04 0.35 -1.93 0.00 0.00 178.83 178.10 1sqf h PHE 125 N 1.17 1.19 0.00 3.99 3.04 0.34 5.57 116.94 132.23 1sqf h PHE 125 Ca 0.34 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1sqf h PHE 125 Cb -0.08 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.11 1sqf h PHE 125 CO -0.00 1.02 -0.06 1.96 -2.02 0.00 0.00 178.31 179.22 1sqf h GLN 126 N 1.01 0.00 0.07 1.11 4.20 -0.42 6.22 115.11 127.30 1sqf h GLN 126 Ca 0.19 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 1sqf h GLN 126 Cb 0.52 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.30 1sqf h GLN 126 CO 0.02 0.06 -0.52 0.00 -0.67 0.00 0.00 178.83 177.72 1sqf h ARG 127 N 0.00 0.14 -0.56 1.46 3.08 0.33 -3.36 114.38 115.47 1sqf h ARG 127 Ca -0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1sqf h ARG 127 Cb 0.12 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1sqf h ARG 127 CO 0.01 1.11 0.00 1.04 -1.07 0.00 0.00 179.97 181.06 1sqf n GLN 128 N -4.35 2.74 -0.34 0.04 6.02 1.73 -4.60 117.38 118.62 1sqf n GLN 128 Ca -0.14 -2.40 0.21 0.00 -0.01 0.00 0.00 57.00 54.66 1sqf n GLN 128 Cb 0.66 -1.45 0.45 0.00 1.02 0.00 0.00 30.24 30.92 1sqf n GLN 128 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 1sqf h GLN 129 N 3.43 0.45 0.42 -1.09 -0.00 1.27 -1.84 115.11 117.74 1sqf h GLN 129 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1sqf h GLN 129 Cb 0.89 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 1sqf h GLN 129 CO 0.00 0.30 -0.20 1.49 -0.00 0.00 0.00 178.83 180.42 1sqf h GLU 130 N 0.47 -0.54 -0.25 0.06 4.81 -1.81 0.48 114.58 117.79 1sqf h GLU 130 Ca 0.66 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.85 1sqf h GLU 130 Cb 1.44 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 1sqf h GLU 130 CO -0.44 -0.24 -0.14 1.05 -0.73 0.00 0.00 179.01 178.51 1sqf h GLU 131 N -0.97 0.43 -0.31 1.92 9.09 -1.87 -2.80 114.58 120.07 1sqf h GLU 131 Ca -0.06 -0.12 -0.13 0.00 0.05 0.00 0.00 59.36 59.10 1sqf h GLU 131 Cb 0.56 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1sqf h GLU 131 CO 0.09 0.57 -0.31 -0.07 0.05 0.00 0.00 179.01 179.34 1sqf h LEU 132 N 0.39 0.80 -0.11 3.06 3.38 -1.16 -3.00 115.31 118.68 1sqf h LEU 132 Ca 0.07 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1sqf h LEU 132 Cb 0.49 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1sqf h LEU 132 CO 0.03 1.11 -0.44 0.17 0.09 0.00 0.00 178.44 179.40 1sqf h LEU 133 N 0.51 -1.39 -0.63 1.67 8.10 0.21 -2.34 115.31 121.44 1sqf h LEU 133 Ca 0.05 0.16 0.03 0.00 0.11 0.00 0.00 57.88 58.23 1sqf h LEU 133 Cb 0.88 0.54 -0.04 0.00 -0.44 0.00 0.00 40.66 41.60 1sqf h LEU 133 CO 0.08 -0.39 0.39 0.00 -4.11 0.00 0.00 178.44 174.41 1sqf h ALA 134 N -0.53 0.82 -0.27 0.17 0.00 -1.54 -0.09 119.26 117.83 1sqf h ALA 134 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sqf h ALA 134 Cb 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1sqf h ALA 134 CO -0.35 0.14 -0.03 1.49 0.00 0.00 0.00 179.25 180.50 1sqf h GLU 135 N 0.77 0.41 -0.35 0.00 4.81 -1.47 -0.05 114.58 118.70 1sqf h GLU 135 Ca 0.25 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1sqf h GLU 135 Cb 0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1sqf h GLU 135 CO -0.10 0.46 0.19 0.35 -0.73 0.00 0.00 179.01 179.17 1sqf h PHE 136 N 0.39 0.48 -0.01 0.92 3.57 -0.47 -2.49 116.94 119.33 1sqf h PHE 136 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1sqf h PHE 136 Cb 0.31 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1sqf h PHE 136 CO 0.01 0.39 -0.00 -1.71 -2.23 0.00 0.00 178.31 174.76 1sqf n ASN 137 N -4.77 0.53 0.04 0.41 2.85 -0.56 -0.90 115.26 112.86 1sqf n ASN 137 Ca -0.01 -1.15 0.01 0.00 -0.11 0.00 0.00 54.58 53.32 1sqf n ASN 137 Cb 0.08 -0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.03 1sqf n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sqf n ALA 138 N -0.60 2.01 -1.94 5.20 0.00 -0.14 -4.89 120.51 120.15 1sqf n ALA 138 Ca 0.22 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 1sqf n ALA 138 Cb 0.20 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1sqf n ALA 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sqf s SER 139 N -5.71 6.57 0.00 0.00 1.04 -0.08 -4.93 113.70 110.59 1sqf s SER 139 Ca -0.03 1.44 0.14 0.00 0.48 0.00 0.00 55.95 57.98 1sqf s SER 139 Cb 0.09 -2.45 0.63 0.00 0.10 0.00 0.00 66.02 64.38 1sqf s SER 139 CO 0.81 -0.56 1.45 0.47 0.98 0.00 0.00 173.24 176.39 1sqf n ASP 140 N -1.59 0.00 0.29 7.02 8.00 -1.26 -1.02 116.55 127.99 1sqf n ASP 140 Ca 0.05 0.44 0.18 0.00 0.71 0.00 0.00 54.79 56.17 1sqf n ASP 140 Cb 0.54 -0.47 0.99 0.00 -0.02 0.00 0.00 41.12 42.16 1sqf n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqf h ALA 141 N 2.52 1.41 0.00 2.24 0.00 -1.92 -3.03 119.26 120.47 1sqf h ALA 141 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sqf h ALA 141 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sqf h ALA 141 CO 0.00 -0.11 -0.05 0.07 0.00 0.00 0.00 179.25 179.17 1sqf h ARG 142 N 0.00 0.00 0.00 0.00 0.11 -1.19 -0.54 114.38 112.75 1sqf h ARG 142 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1sqf h ARG 142 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1sqf h ARG 142 CO -0.00 0.05 0.00 0.66 0.10 0.00 0.00 179.97 180.78 1sqf n TYR 143 N -3.74 0.00 -1.96 4.08 4.01 -1.15 -4.89 117.16 113.50 1sqf n TYR 143 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1sqf n TYR 143 Cb 0.14 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 38.89 1sqf n TYR 143 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sqf n LEU 144 N -1.23 -1.62 -4.32 7.72 4.77 -0.21 -4.90 117.00 117.19 1sqf n LEU 144 Ca 0.11 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.00 1sqf n LEU 144 Cb 0.15 -2.67 -0.15 0.00 -2.33 0.00 0.00 43.42 38.41 1sqf n LEU 144 CO 0.15 -0.58 -0.56 -1.00 -1.33 0.00 0.00 177.39 174.06 1sqf s HIS 145 N -2.82 2.27 0.56 -1.77 3.76 -1.26 -4.90 115.29 111.12 1sqf s HIS 145 Ca 0.00 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 1sqf s HIS 145 Cb 0.00 -1.39 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 1sqf s HIS 145 CO 0.00 0.07 1.11 -1.25 -0.85 0.00 0.00 174.74 173.83 1sqf s PRO 146 N -1.03 3.28 0.36 8.40 0.04 -1.26 -4.74 135.00 140.05 1sqf s PRO 146 Ca 0.11 1.53 0.12 0.00 0.04 0.00 0.00 61.00 62.79 1sqf s PRO 146 Cb -0.10 -2.00 0.91 0.00 0.04 0.00 0.00 34.50 33.35 1sqf s PRO 146 CO 0.01 -0.89 1.82 1.03 0.04 0.00 0.00 177.00 179.01 1sqf h SER 147 N 0.97 0.60 -0.55 6.66 0.87 -1.98 -1.04 113.55 119.08 1sqf h SER 147 Ca -0.49 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1sqf h SER 147 Cb 1.25 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 1sqf h SER 147 CO 0.57 0.23 0.17 4.11 -0.53 0.00 0.00 176.83 181.38 1sqf h TRP 148 N 0.59 0.89 -0.00 2.24 5.08 -1.90 0.33 115.95 123.19 1sqf h TRP 148 Ca 0.52 -0.09 -0.25 0.00 1.08 0.00 0.00 58.89 60.14 1sqf h TRP 148 Cb 1.02 -0.26 0.02 0.00 -3.00 0.00 0.00 29.16 26.94 1sqf h TRP 148 CO -0.00 0.76 -1.01 1.25 -1.28 0.00 0.00 178.44 178.15 1sqf h LEU 149 N 0.77 0.79 -1.56 0.11 5.85 -1.72 -1.65 115.31 117.90 1sqf h LEU 149 Ca 0.18 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1sqf h LEU 149 Cb 0.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1sqf h LEU 149 CO -0.00 1.43 0.11 0.25 -0.34 0.00 0.00 178.44 179.89 1sqf h LEU 150 N 0.34 0.36 -0.03 2.25 5.85 -0.94 -1.64 115.31 121.50 1sqf h LEU 150 Ca -0.11 -0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.32 1sqf h LEU 150 Cb 1.66 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.61 1sqf h LEU 150 CO 0.19 0.33 -1.08 0.11 -0.34 0.00 0.00 178.44 177.66 1sqf h LYS 151 N 0.40 0.50 -0.74 1.25 6.56 -0.78 -1.85 116.57 121.91 1sqf h LYS 151 Ca 0.10 -0.60 -0.02 0.00 -1.06 0.00 0.00 60.65 59.07 1sqf h LYS 151 Cb 0.09 0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 1sqf h LYS 151 CO -0.01 1.23 0.38 0.00 -2.06 0.00 0.00 179.45 178.98 1sqf h ARG 152 N 0.25 1.04 -0.29 3.15 3.08 -0.79 -1.71 114.38 119.12 1sqf h ARG 152 Ca -0.12 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 1sqf h ARG 152 Cb 1.73 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1sqf h ARG 152 CO 0.19 0.80 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.43 1sqf h LEU 153 N 1.02 0.72 -0.89 3.04 3.38 -1.27 -0.11 115.31 121.20 1sqf h LEU 153 Ca 0.26 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1sqf h LEU 153 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1sqf h LEU 153 CO -0.04 1.03 0.11 1.56 0.09 0.00 0.00 178.44 181.19 1sqf h GLN 154 N 0.56 0.93 -0.35 1.13 4.20 -1.28 0.40 115.11 120.70 1sqf h GLN 154 Ca 0.05 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 1sqf h GLN 154 Cb 0.92 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1sqf h GLN 154 CO 0.08 0.85 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.77 1sqf h LYS 155 N 0.88 0.69 0.00 1.46 3.64 -1.01 -3.15 116.57 119.09 1sqf h LYS 155 Ca 0.18 -0.28 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1sqf h LYS 155 Cb 0.37 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1sqf h LYS 155 CO 0.01 0.87 -0.78 0.00 -2.27 0.00 0.00 179.45 177.28 1sqf h ALA 156 N 0.81 0.53 -2.30 5.00 0.00 -0.87 -3.39 119.26 119.05 1sqf h ALA 156 Ca 0.09 -0.71 -0.58 0.00 0.00 0.00 0.00 54.91 53.70 1sqf h ALA 156 Cb 0.62 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.89 1sqf h ALA 156 CO 0.04 0.97 -0.91 0.66 0.00 0.00 0.00 179.25 180.01 1sqf n TYR 157 N -3.35 0.57 0.23 0.00 4.02 0.14 -4.94 117.16 113.82 1sqf n TYR 157 Ca 0.01 -3.67 0.07 0.00 -0.01 0.00 0.00 57.90 54.29 1sqf n TYR 157 Cb 0.83 -0.22 0.54 0.00 -0.02 0.00 0.00 39.34 40.47 1sqf n TYR 157 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1sqf h PRO 158 N 4.75 0.00 0.00 -0.72 0.11 -1.73 0.18 132.00 134.58 1sqf h PRO 158 Ca 0.17 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 1sqf h PRO 158 Cb 0.84 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1sqf h PRO 158 CO 0.53 0.21 -1.84 -1.91 -0.21 0.00 0.00 178.00 174.77 1sqf n GLU 159 N -4.07 0.65 0.00 1.05 4.07 -1.26 -4.64 120.64 116.44 1sqf n GLU 159 Ca -0.02 0.04 0.03 0.00 -0.06 0.00 0.00 57.16 57.15 1sqf n GLU 159 Cb 0.28 -1.65 0.01 0.00 -0.06 0.00 0.00 31.44 30.03 1sqf n GLU 159 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1sqf n GLN 160 N -2.67 1.35 -0.22 5.31 6.02 -0.92 -4.73 117.38 121.52 1sqf n GLN 160 Ca -0.15 -0.67 0.18 0.00 -0.01 0.00 0.00 57.00 56.35 1sqf n GLN 160 Cb 0.85 -1.04 0.51 0.00 1.02 0.00 0.00 30.24 31.57 1sqf n GLN 160 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1sqf h TRP 161 N 1.02 0.53 -0.15 1.08 5.08 -0.91 -0.09 115.95 122.51 1sqf h TRP 161 Ca 0.00 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.80 1sqf h TRP 161 Cb 0.26 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 26.25 1sqf h TRP 161 CO 0.00 0.16 -0.68 1.96 -1.28 0.00 0.00 178.44 178.60 1sqf h GLN 162 N 0.42 0.61 -0.55 0.12 7.50 -1.85 -2.12 115.11 119.23 1sqf h GLN 162 Ca 0.44 -0.45 -0.10 0.00 0.50 0.00 0.00 58.65 59.03 1sqf h GLN 162 Cb 1.05 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.64 1sqf h GLN 162 CO -0.16 1.08 -0.04 0.66 -1.50 0.00 0.00 178.83 178.87 1sqf h SER 163 N 0.43 0.97 0.22 1.46 4.64 -1.42 -1.52 113.55 118.33 1sqf h SER 163 Ca -0.02 -0.28 0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1sqf h SER 163 Cb 1.27 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1sqf h SER 163 CO 0.13 1.04 -0.36 0.40 -0.87 0.00 0.00 176.83 177.17 1sqf h ILE 164 N 0.89 0.25 -0.33 0.95 2.04 -0.67 -0.64 117.51 120.01 1sqf h ILE 164 Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 1sqf h ILE 164 Cb 0.58 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1sqf h ILE 164 CO 0.03 0.00 -0.04 -0.37 0.00 0.00 0.00 178.15 177.77 1sqf h VAL 165 N -0.66 1.21 -0.60 1.67 -1.51 -1.32 0.56 116.25 115.60 1sqf h VAL 165 Ca 0.01 -0.86 -0.05 0.00 -1.23 0.00 0.00 66.70 64.57 1sqf h VAL 165 Cb 0.65 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.79 1sqf h VAL 165 CO -0.15 0.29 0.19 -0.08 -1.23 0.00 0.00 177.57 176.59 1sqf h GLU 166 N 0.49 0.94 -0.36 5.19 4.22 -1.12 -2.06 114.58 121.89 1sqf h GLU 166 Ca 0.10 -0.20 -0.09 0.00 0.08 0.00 0.00 59.36 59.24 1sqf h GLU 166 Cb 0.38 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1sqf h GLU 166 CO 0.02 0.84 -0.17 0.00 -2.18 0.00 0.00 179.01 177.52 1sqf h ALA 167 N 1.06 1.03 0.00 2.92 0.00 -0.15 -2.21 119.26 121.92 1sqf h ALA 167 Ca 0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sqf h ALA 167 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sqf h ALA 167 CO -0.01 0.58 -0.13 -0.91 0.00 0.00 0.00 179.25 178.78 1sqf h ASN 168 N 0.60 0.00 0.42 0.00 2.35 -0.71 -2.38 115.58 115.85 1sqf h ASN 168 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1sqf h ASN 168 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1sqf h ASN 168 CO 0.04 0.13 -0.59 0.59 -1.65 0.00 0.00 177.43 175.96 1sqf n ASN 169 N -4.05 0.58 -4.78 5.81 3.02 -0.79 -3.07 115.26 111.99 1sqf n ASN 169 Ca -0.02 -0.37 -0.34 0.00 -0.03 0.00 0.00 54.58 53.82 1sqf n ASN 169 Cb 0.22 0.37 0.02 0.00 -0.61 0.00 0.00 39.78 39.78 1sqf n ASN 169 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1sqf s GLN 170 N -3.00 3.11 0.27 3.52 -0.21 -0.90 -5.00 119.66 117.44 1sqf s GLN 170 Ca 0.10 1.43 -0.30 0.00 0.02 0.00 0.00 55.36 56.61 1sqf s GLN 170 Cb 0.17 -1.99 -0.11 0.00 1.00 0.00 0.00 33.01 32.08 1sqf s GLN 170 CO 0.73 -1.01 1.60 1.03 -2.12 0.00 0.00 175.29 175.52 1sqf s ARG 171 N -3.79 4.14 0.30 2.91 0.52 -1.26 -4.82 118.95 116.95 1sqf s ARG 171 Ca 0.68 2.54 -0.29 0.00 -0.52 0.00 0.00 55.73 58.15 1sqf s ARG 171 Cb -0.21 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 1sqf s ARG 171 CO 0.35 -0.63 1.23 -1.25 0.02 0.00 0.00 175.30 175.02 1sqf s PRO 172 N -0.09 4.46 0.34 3.54 0.04 -1.26 -5.01 135.00 137.02 1sqf s PRO 172 Ca 0.65 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 1sqf s PRO 172 Cb -0.47 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 30.85 1sqf s PRO 172 CO 0.44 -0.05 1.05 -1.25 0.04 0.00 0.00 177.00 177.22 1sqf s PRO 173 N -1.48 4.42 -0.67 0.56 0.04 -1.26 -4.97 135.00 131.65 1sqf s PRO 173 Ca 0.48 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 1sqf s PRO 173 Cb -0.37 -2.85 0.05 0.00 0.04 0.00 0.00 34.50 31.37 1sqf s PRO 173 CO 0.47 0.07 1.08 1.41 0.04 0.00 0.00 177.00 180.08 1sqf s MET 174 N -1.98 3.19 -0.01 4.56 1.75 -1.26 -5.01 119.30 120.54 1sqf s MET 174 Ca 0.51 -0.48 -0.16 0.00 -1.25 0.00 0.00 55.69 54.31 1sqf s MET 174 Cb -0.26 -4.17 -0.06 0.00 2.84 0.00 0.00 34.83 33.19 1sqf s MET 174 CO 0.32 -1.88 0.44 -1.58 -0.65 0.00 0.00 175.02 171.68 1sqf s TRP 175 N 4.68 3.70 0.13 4.11 0.52 -1.26 -1.17 118.94 129.65 1sqf s TRP 175 Ca 0.29 1.01 0.09 0.00 0.02 0.00 0.00 56.10 57.51 1sqf s TRP 175 Cb -0.13 -2.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1sqf s TRP 175 CO 0.14 0.54 -0.18 -0.51 0.02 0.00 0.00 176.95 176.96 1sqf s LEU 176 N -0.75 2.68 -0.24 2.99 1.43 0.14 -2.08 118.68 122.84 1sqf s LEU 176 Ca 0.25 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1sqf s LEU 176 Cb -0.17 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1sqf s LEU 176 CO 0.13 0.16 -0.08 -0.60 0.23 0.00 0.00 176.35 176.20 1sqf s ARG 177 N -2.29 2.79 -0.04 1.70 3.52 0.21 -1.41 118.95 123.43 1sqf s ARG 177 Ca 0.19 -1.00 -0.30 0.00 -0.13 0.00 0.00 55.73 54.49 1sqf s ARG 177 Cb -0.10 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1sqf s ARG 177 CO 0.10 -0.40 1.10 0.42 -0.81 0.00 0.00 175.30 175.72 1sqf s ILE 178 N 1.30 4.49 -0.42 4.11 -1.09 -0.17 -1.26 121.20 128.16 1sqf s ILE 178 Ca -0.00 1.78 -0.29 0.00 -2.23 0.00 0.00 60.65 59.91 1sqf s ILE 178 Cb -0.17 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1sqf s ILE 178 CO -0.05 0.04 1.21 0.21 -1.23 0.00 0.00 174.94 175.12 1sqf s ASN 179 N 1.22 6.62 0.35 3.58 3.84 -0.02 -4.86 114.94 125.68 1sqf s ASN 179 Ca 0.53 0.72 0.27 0.00 0.21 0.00 0.00 52.86 54.59 1sqf s ASN 179 Cb -0.23 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.09 1sqf s ASN 179 CO 0.23 -1.22 1.80 0.08 -2.79 0.00 0.00 177.10 175.20 1sqf h ARG 180 N 9.38 0.00 0.00 0.43 0.11 -1.88 -2.00 114.38 120.42 1sqf h ARG 180 Ca -0.24 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.82 1sqf h ARG 180 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 1sqf h ARG 180 CO 1.09 0.00 -0.10 1.79 0.10 0.00 0.00 179.97 182.85 1sqf h THR 181 N 0.00 0.24 0.00 0.08 1.35 -1.89 -3.32 112.91 109.37 1sqf h THR 181 Ca 0.00 -0.87 -0.12 0.00 -0.55 0.00 0.00 66.41 64.87 1sqf h THR 181 Cb 0.33 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 1sqf h THR 181 CO 0.00 0.10 -1.70 1.41 -0.25 0.00 0.00 175.52 175.08 1sqf n HIS 182 N -3.21 0.00 -3.81 4.73 8.25 -0.81 -5.05 115.22 115.31 1sqf n HIS 182 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1sqf n HIS 182 Cb 0.40 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 30.98 1sqf n HIS 182 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1sqf s HIS 183 N -2.52 0.03 0.53 4.41 3.76 -0.83 -5.06 115.29 115.61 1sqf s HIS 183 Ca -0.05 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 1sqf s HIS 183 Cb 0.05 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.70 1sqf s HIS 183 CO 0.49 -0.49 0.91 -1.54 -0.85 0.00 0.00 174.74 173.26 1sqf s SER 184 N -2.32 6.34 0.22 1.40 1.04 -1.26 -3.86 113.70 115.26 1sqf s SER 184 Ca -0.02 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 57.59 1sqf s SER 184 Cb 0.01 -2.39 0.34 0.00 0.10 0.00 0.00 66.02 64.08 1sqf s SER 184 CO -0.06 -0.67 1.74 -0.09 0.98 0.00 0.00 173.24 175.14 1sqf h ARG 185 N 0.26 0.43 -0.20 4.02 2.43 -1.91 0.32 114.38 119.72 1sqf h ARG 185 Ca -0.46 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.49 1sqf h ARG 185 Cb 1.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1sqf h ARG 185 CO 0.62 0.28 -0.67 -0.44 -1.51 0.00 0.00 179.97 178.26 1sqf h ASP 186 N 0.44 0.87 -0.61 -3.80 5.19 -1.92 -1.05 116.42 115.54 1sqf h ASP 186 Ca 0.35 -0.52 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1sqf h ASP 186 Cb 0.46 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 1sqf h ASP 186 CO -0.34 1.30 0.32 -1.28 -3.12 0.00 0.00 179.24 176.13 1sqf h SER 187 N 0.55 0.76 -0.27 6.45 0.87 -1.58 -2.78 113.55 117.55 1sqf h SER 187 Ca -0.02 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1sqf h SER 187 Cb 1.27 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1sqf h SER 187 CO 0.14 0.65 -0.11 -0.25 -0.53 0.00 0.00 176.83 176.72 1sqf h TRP 188 N 0.82 0.73 0.00 2.24 7.01 -0.16 -2.07 115.95 124.51 1sqf h TRP 188 Ca 0.21 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1sqf h TRP 188 Cb 0.06 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1sqf h TRP 188 CO -0.01 0.75 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.28 1sqf h LEU 189 N 0.61 0.00 -0.87 0.65 3.38 -1.05 0.74 115.31 118.77 1sqf h LEU 189 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1sqf h LEU 189 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1sqf h LEU 189 CO 0.03 0.04 -0.25 0.00 0.09 0.00 0.00 178.44 178.36 1sqf h ALA 190 N 1.96 1.04 -0.46 1.53 0.00 -1.10 -0.76 119.26 121.46 1sqf h ALA 190 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1sqf h ALA 190 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sqf h ALA 190 CO 0.01 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.73 1sqf h LEU 191 N 0.49 0.83 -0.75 0.00 3.38 -0.79 -2.56 115.31 115.91 1sqf h LEU 191 Ca 0.07 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1sqf h LEU 191 Cb 0.69 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1sqf h LEU 191 CO 0.05 0.96 0.47 0.25 0.09 0.00 0.00 178.44 180.26 1sqf h LEU 192 N 0.68 0.77 -0.83 1.67 5.85 -0.31 -1.26 115.31 121.88 1sqf h LEU 192 Ca 0.12 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1sqf h LEU 192 Cb 0.55 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1sqf h LEU 192 CO 0.03 0.53 -0.55 -0.78 -0.34 0.00 0.00 178.44 177.33 1sqf h ASP 193 N 0.91 0.11 0.78 1.25 1.82 -1.13 -1.55 116.42 118.61 1sqf h ASP 193 Ca 0.31 -0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.81 1sqf h ASP 193 Cb 0.04 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1sqf h ASP 193 CO -0.12 0.64 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.45 1sqf h GLU 194 N 0.07 0.00 -0.49 0.28 4.39 -0.83 -2.29 114.58 115.71 1sqf h GLU 194 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sqf h GLU 194 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1sqf h GLU 194 CO 0.08 0.37 0.00 0.00 -1.16 0.00 0.00 179.01 178.30 1sqf n ALA 195 N -2.31 2.66 -1.01 3.43 0.00 -0.71 -4.88 120.51 117.70 1sqf n ALA 195 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.90 1sqf n ALA 195 Cb 0.49 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 1sqf n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqf n GLY 196 N 0.64 0.46 3.69 0.00 0.00 -0.86 -5.03 105.19 104.09 1sqf n GLY 196 Ca 0.09 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1sqf n GLY 196 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqf s MET 197 N -0.56 2.50 -0.13 1.61 -1.94 -0.64 -5.01 119.30 115.14 1sqf s MET 197 Ca 0.00 -1.00 0.03 0.00 -1.71 0.00 0.00 55.69 53.01 1sqf s MET 197 Cb 0.00 -2.44 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1sqf s MET 197 CO 0.00 0.48 -0.23 0.21 -0.01 0.00 0.00 175.02 175.48 1sqf s LYS 198 N -2.78 3.04 0.24 2.03 2.47 -1.26 -3.27 119.74 120.20 1sqf s LYS 198 Ca 0.27 -0.86 0.04 0.00 -1.56 0.00 0.00 55.97 53.86 1sqf s LYS 198 Cb -0.10 -2.39 -0.05 0.00 -1.46 0.00 0.00 37.83 33.83 1sqf s LYS 198 CO 0.19 0.06 -0.02 0.20 0.16 0.00 0.00 175.35 175.94 1sqf s GLY 199 N 0.63 1.63 -0.01 5.54 0.00 -1.26 -0.85 107.32 113.00 1sqf s GLY 199 Ca -0.12 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 42.82 1sqf s GLY 199 CO 0.02 -1.71 -0.07 -1.36 0.00 0.00 0.00 173.10 169.98 1sqf s PHE 200 N -3.32 0.69 1.00 1.90 0.08 0.04 -4.92 117.98 113.45 1sqf s PHE 200 Ca 0.29 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 57.05 1sqf s PHE 200 Cb 0.05 -0.47 0.19 0.00 -0.57 0.00 0.00 43.02 42.22 1sqf s PHE 200 CO 0.09 -0.03 1.16 -1.25 -0.10 0.00 0.00 175.22 175.09 1sqf s PRO 201 N -0.06 0.44 -0.03 0.24 0.04 -1.26 -0.95 135.00 133.42 1sqf s PRO 201 Ca 0.01 0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.16 1sqf s PRO 201 Cb -0.04 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.75 1sqf s PRO 201 CO -0.00 -2.64 0.02 -1.58 0.04 0.00 0.00 177.00 172.84 1sqf s HIS 202 N -3.29 0.14 0.57 0.56 2.46 -1.26 -4.86 115.29 109.61 1sqf s HIS 202 Ca 0.67 0.10 0.26 0.00 0.47 0.00 0.00 55.06 56.56 1sqf s HIS 202 Cb -0.12 -0.33 1.64 0.00 -0.13 0.00 0.00 32.58 33.63 1sqf s HIS 202 CO 0.54 -0.12 2.18 0.00 -2.47 0.00 0.00 174.74 174.87 1sqf h ALA 203 N 7.42 1.76 0.00 1.58 0.00 -1.98 -2.38 119.26 125.66 1sqf h ALA 203 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sqf h ALA 203 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sqf h ALA 203 CO 0.44 -0.11 -0.74 -0.25 0.00 0.00 0.00 179.25 178.58 1sqf n ASP 204 N -4.02 0.72 -3.71 0.00 8.00 -1.26 -4.60 116.55 111.68 1sqf n ASP 204 Ca -0.01 -0.57 -0.29 0.00 0.71 0.00 0.00 54.79 54.63 1sqf n ASP 204 Cb 0.18 0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 41.75 1sqf n ASP 204 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sqf s TYR 205 N -3.01 2.18 0.56 1.24 2.02 -0.89 -4.93 117.35 114.52 1sqf s TYR 205 Ca 0.09 -2.60 0.31 0.00 -0.37 0.00 0.00 57.07 54.50 1sqf s TYR 205 Cb 0.17 -1.93 1.80 0.00 -0.40 0.00 0.00 41.96 41.59 1sqf s TYR 205 CO 0.78 -0.75 2.23 -1.35 -1.57 0.00 0.00 175.55 174.89 1sqf h PRO 206 N 6.34 0.00 -0.37 -1.71 0.11 -1.82 -0.62 132.00 133.93 1sqf h PRO 206 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1sqf h PRO 206 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1sqf h PRO 206 CO 0.52 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 1sqf n ASP 207 N -3.72 2.69 -4.90 -2.05 8.00 -1.26 -4.73 116.55 110.58 1sqf n ASP 207 Ca -0.03 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.23 1sqf n ASP 207 Cb 0.12 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 1sqf n ASP 207 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqf s ALA 208 N -1.51 3.94 -0.06 2.24 0.00 -0.24 -1.00 121.76 125.13 1sqf s ALA 208 Ca 0.36 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1sqf s ALA 208 Cb 0.20 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1sqf s ALA 208 CO 0.27 0.73 -0.05 0.08 0.00 0.00 0.00 175.76 176.79 1sqf s VAL 209 N -1.34 0.65 -0.29 0.00 1.01 -0.50 -4.17 120.40 115.76 1sqf s VAL 209 Ca 0.28 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1sqf s VAL 209 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1sqf s VAL 209 CO 0.19 0.26 0.22 -0.60 0.00 0.00 0.00 175.10 175.17 1sqf s ARG 210 N 1.10 3.85 0.24 2.72 3.52 -0.13 0.24 118.95 130.49 1sqf s ARG 210 Ca -0.08 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1sqf s ARG 210 Cb -0.14 -3.70 -0.09 0.00 -1.56 0.00 0.00 34.95 29.46 1sqf s ARG 210 CO -0.01 -0.25 0.94 -0.51 -0.81 0.00 0.00 175.30 174.66 1sqf s LEU 211 N 1.78 4.64 0.20 -0.88 1.43 -0.31 -0.78 118.68 124.75 1sqf s LEU 211 Ca 0.08 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 1sqf s LEU 211 Cb -0.16 -3.62 0.18 0.00 0.03 0.00 0.00 46.19 42.62 1sqf s LEU 211 CO 0.11 0.15 1.81 -0.08 0.23 0.00 0.00 176.35 178.57 1sqf h GLU 212 N 4.13 0.62 -4.30 1.70 4.81 -1.33 -3.41 114.58 116.79 1sqf h GLU 212 Ca -0.45 -0.04 -0.49 0.00 -0.13 0.00 0.00 59.36 58.25 1sqf h GLU 212 Cb 1.20 -0.14 -0.35 0.00 0.63 0.00 0.00 28.75 30.09 1sqf h GLU 212 CO 0.68 0.41 -0.80 0.99 -0.73 0.00 0.00 179.01 179.56 1sqf s THR 213 N -6.12 0.94 0.53 0.32 2.01 -1.26 -5.00 115.64 107.07 1sqf s THR 213 Ca -0.13 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1sqf s THR 213 Cb 0.15 -0.92 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 1sqf s THR 213 CO 0.75 0.33 0.68 -2.65 -0.69 0.00 0.00 174.62 173.04 1sqf n PRO 214 N 4.27 0.71 -4.09 4.92 -0.02 -1.26 -5.00 135.00 134.53 1sqf n PRO 214 Ca -0.19 0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.48 1sqf n PRO 214 Cb 0.51 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 1sqf n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqf s ALA 215 N -1.58 0.54 0.53 3.55 0.00 -1.26 -5.10 121.76 118.44 1sqf s ALA 215 Ca 0.69 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 1sqf s ALA 215 Cb -0.48 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 1sqf s ALA 215 CO 0.54 -0.35 1.14 -2.14 0.00 0.00 0.00 175.76 174.94 1sqf s PRO 216 N -3.83 3.40 0.59 0.00 0.02 -1.26 -4.90 135.00 129.02 1sqf s PRO 216 Ca 0.07 1.64 0.38 0.00 0.02 0.00 0.00 61.00 63.11 1sqf s PRO 216 Cb 0.07 -2.06 1.87 0.00 0.02 0.00 0.00 34.50 34.40 1sqf s PRO 216 CO -0.09 -0.82 2.15 -0.39 -0.33 0.00 0.00 177.00 177.52 1sqf h VAL 217 N 1.28 0.00 0.00 3.83 -1.51 -2.01 -0.60 116.25 117.25 1sqf h VAL 217 Ca -0.50 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1sqf h VAL 217 Cb 1.26 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1sqf h VAL 217 CO 0.57 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 1sqf n HIS 218 N -3.03 0.59 1.22 5.19 1.44 -1.26 -1.29 115.22 118.09 1sqf n HIS 218 Ca -0.01 0.20 0.13 0.00 -2.01 0.00 0.00 57.72 56.03 1sqf n HIS 218 Cb 0.18 -0.83 0.34 0.00 0.12 0.00 0.00 29.99 29.80 1sqf n HIS 218 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sqf n ALA 219 N -1.69 3.12 -2.67 1.59 0.00 -0.24 -4.87 120.51 115.75 1sqf n ALA 219 Ca 0.04 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1sqf n ALA 219 Cb 0.30 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1sqf n ALA 219 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqf s LEU 220 N -2.49 4.18 -0.23 0.00 1.43 -0.41 -4.96 118.68 116.20 1sqf s LEU 220 Ca 0.24 1.12 -0.40 0.00 -1.03 0.00 0.00 54.13 54.06 1sqf s LEU 220 Cb 0.19 -3.16 -0.16 0.00 0.03 0.00 0.00 46.19 43.09 1sqf s LEU 220 CO 0.52 -0.35 1.70 -2.65 0.23 0.00 0.00 176.35 175.80 1sqf n PRO 221 N 5.05 1.17 -1.21 1.29 -0.02 -1.26 -1.50 135.00 138.52 1sqf n PRO 221 Ca 0.03 0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1sqf n PRO 221 Cb 0.49 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1sqf n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqf n GLY 222 N 4.00 0.88 0.17 -1.23 0.00 -1.26 -4.62 105.19 103.14 1sqf n GLY 222 Ca 0.25 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1sqf n GLY 222 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sqf h PHE 223 N 0.00 0.07 0.00 1.61 3.57 -1.55 0.30 116.94 120.94 1sqf h PHE 223 Ca -0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1sqf h PHE 223 Cb 0.66 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1sqf h PHE 223 CO 0.32 -0.03 0.00 0.39 -2.23 0.00 0.00 178.31 176.76 1sqf n GLU 224 N -5.14 0.22 0.00 1.11 -0.58 -1.26 -1.66 120.64 113.33 1sqf n GLU 224 Ca 0.03 0.36 0.12 0.00 -0.42 0.00 0.00 57.16 57.25 1sqf n GLU 224 Cb 0.21 -1.86 0.24 0.00 -0.57 0.00 0.00 31.44 29.46 1sqf n GLU 224 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1sqf n ASP 225 N -2.26 1.44 -0.13 1.62 8.00 -0.30 -4.98 116.55 119.94 1sqf n ASP 225 Ca 0.03 -1.16 -0.01 0.00 0.71 0.00 0.00 54.79 54.36 1sqf n ASP 225 Cb 0.30 0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1sqf n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqf n GLY 226 N 1.36 0.42 0.20 0.44 0.00 -0.06 -4.87 105.19 102.68 1sqf n GLY 226 Ca 0.11 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1sqf n GLY 226 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1sqf h TRP 227 N 0.00 0.00 -2.70 1.61 4.06 -1.42 -3.43 115.95 114.08 1sqf h TRP 227 Ca -0.03 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 1sqf h TRP 227 Cb 0.46 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.42 1sqf h TRP 227 CO 0.04 0.00 -0.14 0.54 -3.56 0.00 0.00 178.44 175.31 1sqf s VAL 228 N -3.21 0.03 0.03 1.49 0.11 -1.26 -0.84 120.40 116.76 1sqf s VAL 228 Ca 0.08 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1sqf s VAL 228 Cb 0.07 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1sqf s VAL 228 CO 0.64 -0.14 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.29 1sqf s THR 229 N -0.95 0.72 -0.26 5.04 2.01 -0.39 -4.71 115.64 117.11 1sqf s THR 229 Ca -0.10 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 1sqf s THR 229 Cb -0.04 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1sqf s THR 229 CO 0.05 -0.16 0.75 -0.69 -0.69 0.00 0.00 174.62 173.88 1sqf s VAL 230 N -0.96 4.88 -0.23 3.82 1.01 -1.26 0.66 120.40 128.31 1sqf s VAL 230 Ca -0.04 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 1sqf s VAL 230 Cb -0.08 -4.06 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1sqf s VAL 230 CO 0.01 -0.06 0.53 -1.58 0.00 0.00 0.00 175.10 173.99 1sqf s GLN 231 N 2.74 0.48 0.42 2.72 0.74 -0.89 -4.91 119.66 120.96 1sqf s GLN 231 Ca 0.31 1.12 -0.26 0.00 0.05 0.00 0.00 55.36 56.59 1sqf s GLN 231 Cb -0.15 0.34 -0.10 0.00 1.10 0.00 0.00 33.01 34.20 1sqf s GLN 231 CO 0.08 -0.20 1.30 -3.47 -0.55 0.00 0.00 175.29 172.46 1sqf n ASP 232 N 4.92 2.70 -0.26 6.67 -0.08 -1.26 -3.96 116.55 125.29 1sqf n ASP 232 Ca -0.15 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.27 1sqf n ASP 232 Cb 0.53 -1.52 0.15 0.00 2.34 0.00 0.00 41.12 42.61 1sqf n ASP 232 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqf h ALA 233 N 2.17 1.04 -0.78 -1.67 0.00 -1.90 -1.97 119.26 116.15 1sqf h ALA 233 Ca -0.48 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1sqf h ALA 233 Cb 1.29 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1sqf h ALA 233 CO 0.60 0.00 0.41 0.77 0.00 0.00 0.00 179.25 181.04 1sqf h SER 234 N 0.67 0.99 -0.55 0.00 0.02 -1.89 0.68 113.55 113.46 1sqf h SER 234 Ca 0.36 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1sqf h SER 234 Cb 0.36 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1sqf h SER 234 CO -0.26 0.81 0.31 0.00 -1.14 0.00 0.00 176.83 176.55 1sqf h ALA 235 N 1.21 1.47 -0.70 3.77 0.00 -1.79 -1.92 119.26 121.29 1sqf h ALA 235 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sqf h ALA 235 Cb 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1sqf h ALA 235 CO -0.04 0.44 0.42 1.96 0.00 0.00 0.00 179.25 182.03 1sqf h GLN 236 N 0.79 0.95 -0.18 0.00 4.20 -0.20 -2.48 115.11 118.19 1sqf h GLN 236 Ca 0.20 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1sqf h GLN 236 Cb 0.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1sqf h GLN 236 CO -0.03 0.67 0.34 0.78 -0.67 0.00 0.00 178.83 179.92 1sqf h GLY 237 N 1.00 0.00 1.34 3.46 0.00 -0.36 -2.18 103.07 106.32 1sqf h GLY 237 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.67 1sqf h GLY 237 CO -0.05 0.00 0.25 0.00 0.00 0.00 0.00 176.54 176.74 1sqf h MET 239 N 0.00 0.36 -0.86 0.00 2.86 -1.63 -1.31 114.93 114.35 1sqf h MET 239 Ca 0.14 -0.18 0.20 0.00 -2.06 0.00 0.00 59.70 57.80 1sqf h MET 239 Cb 0.64 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.18 1sqf h MET 239 CO -0.00 0.72 0.36 1.15 1.06 0.00 0.00 176.91 180.20 1sqf h THR 240 N 0.30 0.52 0.02 2.22 2.02 -1.55 -0.70 112.91 115.74 1sqf h THR 240 Ca 0.03 -0.14 -0.32 0.00 0.77 0.00 0.00 66.41 66.75 1sqf h THR 240 Cb 0.86 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1sqf h THR 240 CO 0.07 0.07 -1.88 0.79 0.37 0.00 0.00 175.52 174.95 1sqf n TRP 241 N -5.04 0.86 0.13 3.16 7.02 -1.05 -3.92 117.44 118.60 1sqf n TRP 241 Ca 0.20 0.28 -0.01 0.00 -1.02 0.00 0.00 57.50 56.95 1sqf n TRP 241 Cb 0.58 -1.15 0.21 0.00 -2.42 0.00 0.00 31.31 28.53 1sqf n TRP 241 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1sqf h LEU 242 N 0.01 0.08 -3.44 -0.99 5.85 -1.15 -3.48 115.31 112.19 1sqf h LEU 242 Ca -0.36 -0.04 -0.56 0.00 0.84 0.00 0.00 57.88 57.77 1sqf h LEU 242 Cb 2.05 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.99 1sqf h LEU 242 CO 0.07 0.60 -0.92 0.00 -0.34 0.00 0.00 178.44 177.85 1sqf n ALA 243 N -2.45 -2.33 -1.60 1.25 0.00 -0.28 -4.88 120.51 110.22 1sqf n ALA 243 Ca -0.02 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1sqf n ALA 243 Cb 0.55 -1.90 0.03 0.00 0.00 0.00 0.00 19.45 18.13 1sqf n ALA 243 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqf s PRO 244 N -7.22 3.06 0.06 0.00 0.04 -1.26 -5.06 135.00 124.61 1sqf s PRO 244 Ca 0.33 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1sqf s PRO 244 Cb -0.19 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1sqf s PRO 244 CO 0.90 -1.04 -0.10 -0.65 0.04 0.00 0.00 177.00 176.15 1sqf s GLN 245 N -3.97 0.64 0.59 4.56 -0.21 -1.26 -4.67 119.66 115.34 1sqf s GLN 245 Ca 0.67 -0.87 -0.18 0.00 0.02 0.00 0.00 55.36 55.00 1sqf s GLN 245 Cb -0.19 -0.45 -0.07 0.00 1.00 0.00 0.00 33.01 33.29 1sqf s GLN 245 CO 0.38 0.08 0.64 0.09 -2.12 0.00 0.00 175.29 174.36 1sqf n ASN 246 N 1.27 -0.57 0.00 5.90 3.02 -1.26 -2.96 115.26 120.66 1sqf n ASN 246 Ca -0.21 0.75 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1sqf n ASN 246 Cb 0.55 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1sqf n ASN 246 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqf n GLY 247 N 1.65 2.99 3.81 7.41 0.00 -0.72 -4.86 105.19 115.47 1sqf n GLY 247 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1sqf n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqf s GLU 248 N -0.15 3.88 -0.32 1.61 2.02 -1.15 -4.55 118.70 120.03 1sqf s GLU 248 Ca 0.00 1.18 -0.16 0.00 0.02 0.00 0.00 54.97 56.01 1sqf s GLU 248 Cb 0.00 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1sqf s GLU 248 CO 0.00 -0.34 0.40 -1.01 0.02 0.00 0.00 175.26 174.32 1sqf s HIS 249 N -2.25 3.21 -0.12 1.61 3.76 -1.26 0.80 115.29 121.04 1sqf s HIS 249 Ca 0.63 0.14 0.03 0.00 -0.15 0.00 0.00 55.06 55.71 1sqf s HIS 249 Cb -0.13 -2.70 0.01 0.00 1.11 0.00 0.00 32.58 30.87 1sqf s HIS 249 CO 0.23 -0.40 -0.21 0.42 -0.85 0.00 0.00 174.74 173.93 1sqf s ILE 250 N 2.11 1.93 -0.22 0.60 -1.09 0.31 -0.29 121.20 124.55 1sqf s ILE 250 Ca 0.14 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.57 1sqf s ILE 250 Cb -0.16 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 1sqf s ILE 250 CO 0.12 0.53 0.08 -0.22 -1.23 0.00 0.00 174.94 174.21 1sqf s LEU 251 N 0.73 3.73 -0.42 2.97 2.96 -0.67 -1.17 118.68 126.80 1sqf s LEU 251 Ca -0.10 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1sqf s LEU 251 Cb -0.16 -1.97 0.08 0.00 0.50 0.00 0.00 46.19 44.64 1sqf s LEU 251 CO 0.01 0.08 0.27 -0.62 -1.32 0.00 0.00 176.35 174.77 1sqf s ASP 252 N 0.95 5.67 -0.09 3.68 2.15 -0.32 -0.30 116.67 128.40 1sqf s ASP 252 Ca 0.04 -1.50 -0.11 0.00 0.43 0.00 0.00 52.55 51.42 1sqf s ASP 252 Cb -0.14 -2.00 -0.05 0.00 -0.30 0.00 0.00 42.92 40.44 1sqf s ASP 252 CO 0.03 -0.55 0.26 -0.22 -0.17 0.00 0.00 175.17 174.52 1sqf s LEU 253 N 1.44 4.39 -1.01 -1.34 0.20 0.13 -1.87 118.68 120.62 1sqf s LEU 253 Ca 0.03 0.64 -0.03 0.00 0.69 0.00 0.00 54.13 55.46 1sqf s LEU 253 Cb -0.23 -2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 43.20 1sqf s LEU 253 CO 0.02 0.32 0.86 0.00 -0.29 0.00 0.00 176.35 177.26 1sqf h ALA 255 N 0.37 0.47 -2.89 0.00 0.00 -1.28 -3.43 119.26 112.50 1sqf h ALA 255 Ca -0.54 -1.07 -0.53 0.00 0.00 0.00 0.00 54.91 52.78 1sqf h ALA 255 Cb 1.29 0.03 0.08 0.00 0.00 0.00 0.00 17.79 19.19 1sqf h ALA 255 CO 0.42 1.34 0.66 0.00 0.00 0.00 0.00 179.25 181.67 1sqf s ALA 256 N -2.68 3.41 -2.12 0.00 0.00 -1.26 0.31 121.76 119.42 1sqf s ALA 256 Ca -0.01 1.31 0.16 0.00 0.00 0.00 0.00 51.96 53.42 1sqf s ALA 256 Cb 0.09 -3.51 0.65 0.00 0.00 0.00 0.00 23.12 20.36 1sqf s ALA 256 CO 0.82 -0.81 1.46 -0.35 0.00 0.00 0.00 175.76 176.89 1sqf n PRO 257 N 0.44 1.49 0.00 0.00 -0.04 -1.26 -4.94 135.00 130.69 1sqf n PRO 257 Ca 0.02 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1sqf n PRO 257 Cb 0.42 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1sqf n PRO 257 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sqf n GLY 258 N 0.96 1.11 0.09 0.55 0.00 0.15 -3.11 105.19 104.94 1sqf n GLY 258 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1sqf n GLY 258 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sqf h GLY 259 N 0.00 0.04 1.83 -0.02 0.00 -1.92 -1.94 103.07 101.06 1sqf h GLY 259 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 47.33 47.17 1sqf h GLY 259 CO 0.00 -0.05 -0.97 0.50 0.00 0.00 0.00 176.54 176.01 1sqf h LYS 260 N -0.03 0.14 -0.53 4.80 1.57 -1.93 -2.72 116.57 117.86 1sqf h LYS 260 Ca 0.05 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1sqf h LYS 260 Cb 0.10 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 1sqf h LYS 260 CO -0.11 1.00 0.08 1.15 -0.57 0.00 0.00 179.45 181.00 1sqf h THR 261 N 0.06 0.65 0.03 -0.16 2.02 -1.79 -1.38 112.91 112.33 1sqf h THR 261 Ca -0.05 -0.07 -0.22 0.00 0.77 0.00 0.00 66.41 66.85 1sqf h THR 261 Cb 1.66 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1sqf h THR 261 CO 0.14 0.04 -0.96 0.71 0.37 0.00 0.00 175.52 175.82 1sqf h THR 262 N 0.20 1.51 -0.90 3.16 1.35 -1.41 -3.18 112.91 113.64 1sqf h THR 262 Ca 0.27 -2.76 0.08 0.00 -0.55 0.00 0.00 66.41 63.46 1sqf h THR 262 Cb 0.40 2.58 -0.06 0.00 -1.73 0.00 0.00 68.15 69.34 1sqf h THR 262 CO -0.38 0.80 0.58 -0.74 -0.25 0.00 0.00 175.52 175.53 1sqf h HIS 263 N 0.11 1.00 -0.70 4.73 6.17 -1.08 -2.11 115.15 123.27 1sqf h HIS 263 Ca -0.06 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.02 1sqf h HIS 263 Cb 1.62 -0.33 -0.03 0.00 2.52 0.00 0.00 27.41 31.19 1sqf h HIS 263 CO 0.04 0.49 0.34 0.82 0.71 0.00 0.00 177.93 180.33 1sqf h ILE 264 N 0.95 1.22 0.00 6.26 2.04 -1.25 -1.78 117.51 124.95 1sqf h ILE 264 Ca 0.40 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1sqf h ILE 264 Cb 0.31 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1sqf h ILE 264 CO -0.17 0.26 -0.09 0.18 0.00 0.00 0.00 178.15 178.33 1sqf n LEU 265 N -4.34 0.61 0.06 1.44 4.77 -0.86 0.73 117.00 119.40 1sqf n LEU 265 Ca 0.07 0.50 -0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1sqf n LEU 265 Cb 0.13 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 1sqf n LEU 265 CO 0.38 -0.11 -0.20 -0.33 -1.33 0.00 0.00 177.39 175.80 1sqf h GLU 266 N 0.00 0.18 -0.00 3.23 5.08 -0.99 -2.62 114.58 119.46 1sqf h GLU 266 Ca 0.00 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1sqf h GLU 266 Cb 0.68 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1sqf h GLU 266 CO 0.00 1.05 -0.11 0.28 -1.00 0.00 0.00 179.01 179.23 1sqf h VAL 267 N 0.05 1.59 -2.89 3.13 2.07 -1.04 -3.42 116.25 115.73 1sqf h VAL 267 Ca -0.18 -1.87 -0.61 0.00 0.82 0.00 0.00 66.70 64.86 1sqf h VAL 267 Cb 1.96 2.82 -0.40 0.00 -1.52 0.00 0.00 31.29 34.15 1sqf h VAL 267 CO 0.16 0.50 -0.76 0.00 0.02 0.00 0.00 177.57 177.49 1sqf s ALA 268 N -3.12 2.15 0.59 1.67 0.00 0.22 -4.91 121.76 118.37 1sqf s ALA 268 Ca -0.17 -2.66 0.29 0.00 0.00 0.00 0.00 51.96 49.42 1sqf s ALA 268 Cb -0.00 -1.86 1.54 0.00 0.00 0.00 0.00 23.12 22.79 1sqf s ALA 268 CO 0.71 -2.06 1.96 -1.35 0.00 0.00 0.00 175.76 175.02 1sqf h PRO 269 N 6.48 0.00 -0.40 0.00 0.11 -1.68 -2.59 132.00 133.91 1sqf h PRO 269 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1sqf h PRO 269 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1sqf h PRO 269 CO 0.48 0.00 0.01 0.39 -0.21 0.00 0.00 178.00 178.67 1sqf n GLU 270 N -3.71 3.65 -2.48 1.05 1.02 -1.26 -4.97 120.64 113.95 1sqf n GLU 270 Ca 0.06 -2.98 -0.36 0.00 -0.02 0.00 0.00 57.16 53.85 1sqf n GLU 270 Cb 0.55 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1sqf n GLU 270 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sqf s ALA 271 N -2.83 3.04 -0.41 0.62 0.00 -0.98 -1.76 121.76 119.44 1sqf s ALA 271 Ca 0.47 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 1sqf s ALA 271 Cb 0.38 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1sqf s ALA 271 CO 0.11 -0.33 0.56 -0.65 0.00 0.00 0.00 175.76 175.46 1sqf s GLN 272 N -2.60 3.32 -0.13 0.00 1.11 0.24 -4.87 119.66 116.72 1sqf s GLN 272 Ca 0.60 -0.42 -0.05 0.00 0.01 0.00 0.00 55.36 55.51 1sqf s GLN 272 Cb -0.23 -3.92 -0.04 0.00 -1.01 0.00 0.00 33.01 27.81 1sqf s GLN 272 CO 0.29 -0.88 0.03 0.08 0.01 0.00 0.00 175.29 174.82 1sqf s VAL 273 N 2.55 4.55 -0.14 1.09 1.01 -1.26 -0.53 120.40 127.66 1sqf s VAL 273 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1sqf s VAL 273 Cb -0.15 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1sqf s VAL 273 CO 0.16 0.54 -0.16 0.54 0.00 0.00 0.00 175.10 176.19 1sqf s VAL 274 N -0.29 1.65 -0.17 2.92 0.11 -0.32 -0.08 120.40 124.22 1sqf s VAL 274 Ca 0.07 -0.70 -0.04 0.00 -2.93 0.00 0.00 61.98 58.39 1sqf s VAL 274 Cb -0.12 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1sqf s VAL 274 CO 0.02 0.47 -0.03 0.00 -3.33 0.00 0.00 175.10 172.23 1sqf s ALA 275 N 1.32 2.99 0.06 1.54 0.00 0.88 -1.18 121.76 127.37 1sqf s ALA 275 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1sqf s ALA 275 Cb -0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1sqf s ALA 275 CO -0.09 0.09 -0.10 0.14 0.00 0.00 0.00 175.76 175.81 1sqf s VAL 276 N 0.58 0.75 -0.03 0.00 -7.23 -0.78 -0.72 120.40 112.98 1sqf s VAL 276 Ca -0.02 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 1sqf s VAL 276 Cb -0.14 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 35.92 1sqf s VAL 276 CO 0.02 -0.41 0.47 -0.62 -0.31 0.00 0.00 175.10 174.25 1sqf s ASP 277 N -1.87 -0.40 0.13 4.85 -1.08 -1.08 -0.84 116.67 116.38 1sqf s ASP 277 Ca -0.04 0.35 0.25 0.00 -0.52 0.00 0.00 52.55 52.59 1sqf s ASP 277 Cb -0.08 0.41 0.94 0.00 -1.46 0.00 0.00 42.92 42.74 1sqf s ASP 277 CO 0.00 -0.53 1.77 0.00 0.52 0.00 0.00 175.17 176.93 1sqf n ILE 278 N 1.08 0.52 -3.73 4.11 3.06 -0.97 -1.70 119.36 121.74 1sqf n ILE 278 Ca -0.20 -0.03 -0.38 0.00 -2.50 0.00 0.00 62.75 59.64 1sqf n ILE 278 Cb 0.57 -0.73 -0.12 0.00 0.54 0.00 0.00 39.64 39.90 1sqf n ILE 278 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1sqf s ASP 279 N -3.81 5.29 0.43 9.51 2.15 -1.26 -4.72 116.67 124.26 1sqf s ASP 279 Ca 0.10 -0.84 0.10 0.00 0.43 0.00 0.00 52.55 52.34 1sqf s ASP 279 Cb 0.13 -1.91 0.93 0.00 -0.30 0.00 0.00 42.92 41.78 1sqf s ASP 279 CO 0.49 -0.25 2.02 1.05 -0.17 0.00 0.00 175.17 178.31 1sqf h GLU 280 N 8.27 0.27 0.52 4.34 4.11 -1.99 -1.84 114.58 128.25 1sqf h GLU 280 Ca -0.29 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.08 1sqf h GLU 280 Cb 1.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1sqf h GLU 280 CO 0.61 0.28 -0.27 -0.56 0.07 0.00 0.00 179.01 179.14 1sqf h GLN 281 N 0.27 -0.69 -0.18 1.06 -0.00 -1.99 -3.06 115.11 110.52 1sqf h GLN 281 Ca 0.07 0.05 0.02 0.00 -0.00 0.00 0.00 58.65 58.79 1sqf h GLN 281 Cb 0.15 0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 27.77 1sqf h GLN 281 CO -0.00 -0.46 0.12 0.00 -0.00 0.00 0.00 178.83 178.49 1sqf h ARG 282 N -0.72 0.13 -0.81 0.06 3.08 -1.98 -2.43 114.38 111.71 1sqf h ARG 282 Ca -0.07 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.16 1sqf h ARG 282 Cb 0.56 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 1sqf h ARG 282 CO 0.11 0.09 0.55 1.25 -1.07 0.00 0.00 179.97 180.89 1sqf h LEU 283 N 0.13 0.28 -1.69 3.04 5.85 -1.23 -0.61 115.31 121.08 1sqf h LEU 283 Ca 0.08 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1sqf h LEU 283 Cb 0.14 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1sqf h LEU 283 CO -0.01 0.12 0.39 -1.28 -0.34 0.00 0.00 178.44 177.32 1sqf h SER 284 N 0.28 0.31 0.65 1.25 0.87 -1.42 -1.72 113.55 113.76 1sqf h SER 284 Ca 0.40 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.84 1sqf h SER 284 Cb 1.15 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1sqf h SER 284 CO -0.11 0.18 -0.64 0.03 -0.53 0.00 0.00 176.83 175.76 1sqf h ARG 285 N 0.34 0.00 0.34 2.24 -0.00 -1.30 -2.59 114.38 113.42 1sqf h ARG 285 Ca 0.27 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.74 1sqf h ARG 285 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.57 1sqf h ARG 285 CO -0.07 0.64 -0.21 0.28 0.00 0.00 0.00 179.97 180.62 1sqf h VAL 286 N 0.00 0.57 -0.88 2.04 2.07 -1.25 -0.98 116.25 117.82 1sqf h VAL 286 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1sqf h VAL 286 Cb 1.14 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 1sqf h VAL 286 CO 0.08 0.00 0.50 1.88 0.02 0.00 0.00 177.57 180.05 1sqf h TYR 287 N -0.52 0.89 -0.24 1.57 0.05 -1.52 0.15 116.97 117.35 1sqf h TYR 287 Ca -0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1sqf h TYR 287 Cb 0.43 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1sqf h TYR 287 CO -0.09 0.30 0.10 -0.44 -1.05 0.00 0.00 178.16 176.98 1sqf h ASP 288 N 0.77 0.33 0.01 3.88 3.32 -1.18 0.25 116.42 123.78 1sqf h ASP 288 Ca 0.45 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1sqf h ASP 288 Cb 0.53 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1sqf h ASP 288 CO -0.30 0.39 -0.28 0.78 -1.72 0.00 0.00 179.24 178.11 1sqf h ASN 289 N 0.24 0.42 0.43 6.45 2.35 -0.74 -0.79 115.58 123.93 1sqf h ASN 289 Ca 0.08 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1sqf h ASN 289 Cb 0.16 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1sqf h ASN 289 CO -0.01 0.69 -0.26 0.25 -1.65 0.00 0.00 177.43 176.45 1sqf h LEU 290 N 0.37 -0.64 0.29 1.61 5.85 -0.14 -1.91 115.31 120.73 1sqf h LEU 290 Ca 0.05 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1sqf h LEU 290 Cb 0.68 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1sqf h LEU 290 CO 0.05 -0.41 -0.14 0.50 -0.34 0.00 0.00 178.44 178.10 1sqf h LYS 291 N -0.65 -0.37 -0.95 1.25 1.63 -0.40 0.01 116.57 117.09 1sqf h LYS 291 Ca -0.05 0.03 0.25 0.00 -0.85 0.00 0.00 60.65 60.03 1sqf h LYS 291 Cb 0.53 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 1sqf h LYS 291 CO 0.05 -0.23 0.65 -0.09 -3.45 0.00 0.00 179.45 176.39 1sqf h ARG 292 N -0.41 0.19 -0.45 1.90 2.43 -1.03 0.56 114.38 117.58 1sqf h ARG 292 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1sqf h ARG 292 Cb 0.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1sqf h ARG 292 CO 0.06 0.12 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 1sqf n LEU 293 N -4.40 4.58 -3.84 3.80 4.77 -0.73 -3.78 117.00 117.41 1sqf n LEU 293 Ca 0.20 -2.78 -0.29 0.00 -0.03 0.00 0.00 56.01 53.11 1sqf n LEU 293 Cb 0.89 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1sqf n LEU 293 CO 0.34 0.70 -0.16 0.61 -1.33 0.00 0.00 177.39 177.55 1sqf n GLY 294 N 0.28 -0.60 3.35 -0.72 0.00 0.20 -4.98 105.19 102.72 1sqf n GLY 294 Ca 0.23 0.29 -0.18 0.00 0.00 0.00 0.00 46.02 46.36 1sqf n GLY 294 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqf s MET 295 N -6.35 1.33 0.05 1.61 1.00 -0.04 -5.03 119.30 111.87 1sqf s MET 295 Ca 0.24 -1.61 0.05 0.00 0.00 0.00 0.00 55.69 54.36 1sqf s MET 295 Cb -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 34.83 33.70 1sqf s MET 295 CO 0.88 0.12 -0.13 -1.59 0.00 0.00 0.00 175.02 174.29 1sqf s LYS 296 N -3.69 0.83 0.20 2.03 0.00 -1.26 -4.35 119.74 113.49 1sqf s LYS 296 Ca 0.23 -0.83 -0.22 0.00 0.00 0.00 0.00 55.97 55.15 1sqf s LYS 296 Cb 0.01 -0.81 0.05 0.00 0.00 0.00 0.00 37.83 37.08 1sqf s LYS 296 CO 0.07 0.19 0.64 0.00 0.00 0.00 0.00 175.35 176.25 1sqf s ALA 297 N -1.08 -1.45 -0.18 0.59 0.00 -1.26 -4.79 121.76 113.58 1sqf s ALA 297 Ca -0.01 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 1sqf s ALA 297 Cb -0.09 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1sqf s ALA 297 CO 0.02 -0.86 0.44 0.95 0.00 0.00 0.00 175.76 176.31 1sqf s THR 298 N -3.81 5.17 -0.20 0.00 -4.23 0.88 -4.98 115.64 108.48 1sqf s THR 298 Ca 0.05 0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 61.35 1sqf s THR 298 Cb -0.03 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 1sqf s THR 298 CO -0.06 0.25 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.50 1sqf s VAL 299 N 1.26 3.15 0.02 2.29 1.01 -1.26 -0.08 120.40 126.78 1sqf s VAL 299 Ca 0.22 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1sqf s VAL 299 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1sqf s VAL 299 CO 0.09 0.46 -0.11 -0.54 0.00 0.00 0.00 175.10 174.99 1sqf s LYS 300 N 1.21 0.80 0.16 2.72 1.02 0.10 -4.96 119.74 120.80 1sqf s LYS 300 Ca 0.02 -0.58 -0.27 0.00 0.02 0.00 0.00 55.97 55.16 1sqf s LYS 300 Cb -0.14 -0.76 -0.07 0.00 -0.52 0.00 0.00 37.83 36.33 1sqf s LYS 300 CO -0.03 0.19 0.84 -1.14 -0.92 0.00 0.00 175.35 174.29 1sqf s GLN 301 N -0.82 4.65 -0.28 1.68 -0.44 -1.26 -2.62 119.66 120.57 1sqf s GLN 301 Ca 0.01 1.26 -0.38 0.00 -2.50 0.00 0.00 55.36 53.75 1sqf s GLN 301 Cb -0.06 -3.30 0.16 0.00 -1.64 0.00 0.00 33.01 28.16 1sqf s GLN 301 CO 0.00 0.46 1.38 0.20 0.50 0.00 0.00 175.29 177.83 1sqf s GLY 302 N -0.81 -0.21 -0.28 2.59 0.00 -0.69 -4.86 107.32 103.06 1sqf s GLY 302 Ca 0.39 1.87 -0.11 0.00 0.00 0.00 0.00 44.72 46.87 1sqf s GLY 302 CO 0.28 0.62 0.18 -0.35 0.00 0.00 0.00 173.10 173.82 1sqf s ASP 303 N -2.06 5.88 0.04 1.64 -1.08 -1.26 -2.28 116.67 117.54 1sqf s ASP 303 Ca 0.12 -0.10 0.03 0.00 -0.52 0.00 0.00 52.55 52.07 1sqf s ASP 303 Cb -0.01 -2.09 0.14 0.00 -1.46 0.00 0.00 42.92 39.50 1sqf s ASP 303 CO -0.03 -0.07 1.07 0.61 0.52 0.00 0.00 175.17 177.27 1sqf n GLY 304 N 5.04 -0.53 0.08 2.66 0.00 -1.26 -0.50 105.19 110.68 1sqf n GLY 304 Ca -0.14 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1sqf n GLY 304 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sqf h ARG 305 N 0.00 0.11 -2.19 1.61 3.08 -1.90 -3.41 114.38 111.67 1sqf h ARG 305 Ca 0.00 -0.18 -0.58 0.00 0.07 0.00 0.00 59.98 59.29 1sqf h ARG 305 Cb 0.02 0.07 -0.41 0.00 0.08 0.00 0.00 29.97 29.73 1sqf h ARG 305 CO 0.00 1.05 -0.72 0.66 -1.07 0.00 0.00 179.97 179.89 1sqf n TYR 306 N -3.40 3.07 -0.36 3.04 4.01 0.35 -4.79 117.16 119.07 1sqf n TYR 306 Ca -0.05 -4.00 0.00 0.00 -0.16 0.00 0.00 57.90 53.69 1sqf n TYR 306 Cb 0.98 -0.50 0.15 0.00 -0.31 0.00 0.00 39.34 39.67 1sqf n TYR 306 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1sqf h PRO 307 N 3.58 1.21 0.00 -0.72 0.11 -1.78 -1.45 132.00 132.95 1sqf h PRO 307 Ca 0.15 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1sqf h PRO 307 Cb 0.65 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1sqf h PRO 307 CO 0.76 0.80 0.00 0.66 -0.21 0.00 0.00 178.00 180.01 1sqf h SER 308 N 1.25 0.00 -0.49 -2.05 4.64 -1.91 0.58 113.55 115.57 1sqf h SER 308 Ca 0.39 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.76 1sqf h SER 308 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1sqf h SER 308 CO -0.12 0.00 0.33 1.56 -0.87 0.00 0.00 176.83 177.73 1sqf h GLN 309 N 0.00 0.47 0.00 4.77 1.08 -1.57 -2.03 115.11 117.83 1sqf h GLN 309 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1sqf h GLN 309 Cb 0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1sqf h GLN 309 CO 0.00 0.31 -0.76 -2.67 -0.95 0.00 0.00 178.83 174.77 1sqf n TRP 310 N -4.48 0.00 -1.22 2.96 4.27 0.18 -4.65 117.44 114.52 1sqf n TRP 310 Ca 0.06 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.71 1sqf n TRP 310 Cb 0.20 -0.05 0.05 0.00 -1.36 0.00 0.00 31.31 30.15 1sqf n TRP 310 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1sqf n GLY 312 N -0.63 1.02 0.11 0.00 0.00 -0.76 -0.53 105.19 104.39 1sqf n GLY 312 Ca 0.06 0.68 0.04 0.00 0.00 0.00 0.00 46.02 46.80 1sqf n GLY 312 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sqf n GLU 313 N 0.00 2.36 -1.77 1.61 -0.00 -1.26 -4.23 120.64 117.35 1sqf n GLU 313 Ca 0.00 -1.99 -0.41 0.00 -0.00 0.00 0.00 57.16 54.76 1sqf n GLU 313 Cb 0.00 -1.24 -0.00 0.00 -0.00 0.00 0.00 31.44 30.20 1sqf n GLU 313 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1sqf n GLN 314 N -0.78 2.66 -4.26 3.44 7.27 0.31 -5.03 117.38 120.99 1sqf n GLN 314 Ca 0.08 0.93 -0.29 0.00 0.07 0.00 0.00 57.00 57.79 1sqf n GLN 314 Cb 0.43 -2.67 -0.10 0.00 2.41 0.00 0.00 30.24 30.31 1sqf n GLN 314 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1sqf s GLN 315 N -1.91 1.99 0.23 3.69 -0.21 -1.26 -4.68 119.66 117.50 1sqf s GLN 315 Ca 0.54 -1.12 0.09 0.00 0.02 0.00 0.00 55.36 54.90 1sqf s GLN 315 Cb -0.48 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 1sqf s GLN 315 CO 0.62 0.48 -0.07 -0.06 -2.12 0.00 0.00 175.29 174.14 1sqf s PHE 316 N -1.28 2.62 0.05 0.91 0.40 0.22 -4.87 117.98 116.03 1sqf s PHE 316 Ca 0.21 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1sqf s PHE 316 Cb -0.10 -1.22 -0.25 0.00 0.51 0.00 0.00 43.02 41.96 1sqf s PHE 316 CO 0.13 0.58 1.03 -0.44 0.70 0.00 0.00 175.22 177.21 1sqf h ASP 317 N 2.43 0.21 -4.97 1.36 5.19 -0.96 0.12 116.42 119.80 1sqf h ASP 317 Ca -0.45 -0.27 -0.13 0.00 -0.62 0.00 0.00 57.03 55.57 1sqf h ASP 317 Cb 1.23 -0.07 -0.20 0.00 0.18 0.00 0.00 39.33 40.47 1sqf h ASP 317 CO 0.57 1.22 -0.35 -0.13 -3.12 0.00 0.00 179.24 177.44 1sqf s ARG 318 N -2.65 0.60 -0.07 3.56 0.52 -1.13 -2.36 118.95 117.42 1sqf s ARG 318 Ca -0.04 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1sqf s ARG 318 Cb 0.08 0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.84 1sqf s ARG 318 CO 0.84 -0.16 -0.05 0.42 0.02 0.00 0.00 175.30 176.38 1sqf s ILE 319 N -1.33 0.69 -0.32 1.52 1.01 0.21 -1.67 121.20 121.30 1sqf s ILE 319 Ca -0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1sqf s ILE 319 Cb -0.06 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1sqf s ILE 319 CO 0.03 0.29 0.23 -0.22 0.00 0.00 0.00 174.94 175.27 1sqf s LEU 320 N 1.44 4.39 -0.44 2.97 2.96 0.59 -1.05 118.68 129.53 1sqf s LEU 320 Ca -0.02 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1sqf s LEU 320 Cb -0.13 -2.13 0.11 0.00 0.50 0.00 0.00 46.19 44.54 1sqf s LEU 320 CO -0.04 -0.19 0.28 -0.22 -1.32 0.00 0.00 176.35 174.86 1sqf s LEU 321 N 1.73 5.42 -1.07 -0.68 2.96 -0.07 0.19 118.68 127.16 1sqf s LEU 321 Ca 0.06 -1.87 -0.11 0.00 -0.22 0.00 0.00 54.13 51.99 1sqf s LEU 321 Cb -0.17 -1.94 0.25 0.00 0.50 0.00 0.00 46.19 44.82 1sqf s LEU 321 CO 0.10 -0.61 1.10 -0.62 -1.32 0.00 0.00 176.35 175.00 1sqf s ASP 322 N 2.28 7.15 0.43 3.68 2.15 -1.12 -0.56 116.67 130.69 1sqf s ASP 322 Ca 0.06 -3.27 -0.25 0.00 0.43 0.00 0.00 52.55 49.51 1sqf s ASP 322 Cb -0.24 -2.25 -0.08 0.00 -0.30 0.00 0.00 42.92 40.05 1sqf s ASP 322 CO -0.01 -0.44 1.32 0.00 -0.17 0.00 0.00 175.17 175.86 1sqf s ALA 323 N -0.40 3.18 0.39 3.66 0.00 -0.30 -4.69 121.76 123.60 1sqf s ALA 323 Ca 0.30 1.27 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 1sqf s ALA 323 Cb -0.09 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1sqf s ALA 323 CO -0.07 -0.94 1.29 -2.30 0.00 0.00 0.00 175.76 173.74 1sqf n PRO 324 N -0.12 2.06 -3.82 0.00 -0.02 -1.26 -4.69 135.00 127.15 1sqf n PRO 324 Ca 0.05 0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 62.18 1sqf n PRO 324 Cb 0.44 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1sqf n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqf n SER 326 N -1.28 0.64 -1.62 0.00 3.41 -1.26 -4.83 113.62 108.68 1sqf n SER 326 Ca -0.07 0.65 -0.18 0.00 -0.26 0.00 0.00 58.87 59.01 1sqf n SER 326 Cb 0.60 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1sqf n SER 326 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqf n ALA 327 N -1.76 -0.37 0.30 7.33 0.00 -1.25 -4.89 120.51 119.87 1sqf n ALA 327 Ca 0.02 0.24 0.17 0.00 0.00 0.00 0.00 53.44 53.87 1sqf n ALA 327 Cb 0.24 -1.89 0.81 0.00 0.00 0.00 0.00 19.45 18.62 1sqf n ALA 327 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1sqf h THR 328 N 0.00 0.00 0.00 0.00 1.35 -1.85 -2.40 112.91 110.01 1sqf h THR 328 Ca -0.39 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1sqf h THR 328 Cb 1.22 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1sqf h THR 328 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1sqf n GLY 329 N -0.62 -1.62 1.00 5.82 0.00 0.80 -3.73 105.19 106.84 1sqf n GLY 329 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1sqf n GLY 329 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sqf n VAL 330 N -2.20 2.45 0.18 1.61 0.24 -0.90 -1.09 118.33 118.63 1sqf n VAL 330 Ca 0.05 -2.85 0.03 0.00 -2.04 0.00 0.00 64.34 59.54 1sqf n VAL 330 Cb 0.39 -0.30 0.42 0.00 -1.47 0.00 0.00 33.84 32.88 1sqf n VAL 330 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1sqf h ILE 331 N 1.00 1.19 0.00 1.34 2.04 -1.67 -1.44 117.51 119.97 1sqf h ILE 331 Ca 0.16 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1sqf h ILE 331 Cb 1.48 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1sqf h ILE 331 CO 0.28 0.27 -0.06 0.08 0.00 0.00 0.00 178.15 178.72 1sqf h ARG 332 N 0.06 0.00 0.00 2.37 0.11 -1.81 -2.41 114.38 112.70 1sqf h ARG 332 Ca 0.01 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.74 1sqf h ARG 332 Cb 0.47 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.49 1sqf h ARG 332 CO 0.03 0.06 -2.17 0.54 0.10 0.00 0.00 179.97 178.54 1sqf n ARG 333 N -3.61 0.67 -3.69 0.08 1.74 -0.80 -4.14 116.66 106.91 1sqf n ARG 333 Ca -0.02 0.11 -0.27 0.00 -0.77 0.00 0.00 57.85 56.89 1sqf n ARG 333 Cb 0.17 -1.61 -0.11 0.00 -1.02 0.00 0.00 32.46 29.89 1sqf n ARG 333 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1sqf n HIS 334 N -2.89 2.84 0.24 -1.55 8.25 -0.61 -4.96 115.22 116.53 1sqf n HIS 334 Ca -0.28 -4.15 0.16 0.00 -0.26 0.00 0.00 57.72 53.18 1sqf n HIS 334 Cb 1.11 -0.52 0.84 0.00 1.12 0.00 0.00 29.99 32.55 1sqf n HIS 334 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1sqf h PRO 335 N 5.01 0.00 0.00 -0.41 0.13 -1.71 -0.66 132.00 134.36 1sqf h PRO 335 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1sqf h PRO 335 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1sqf h PRO 335 CO 0.71 0.00 0.08 0.38 -0.23 0.00 0.00 178.00 178.94 1sqf h ASP 336 N 0.00 0.00 -0.71 1.44 3.04 -1.88 -1.80 116.42 116.51 1sqf h ASP 336 Ca 0.05 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.86 1sqf h ASP 336 Cb 0.27 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.52 1sqf h ASP 336 CO -0.00 0.00 0.47 0.40 -2.04 0.00 0.00 179.24 178.07 1sqf h ILE 337 N 0.00 1.14 0.00 4.15 2.04 -1.47 -1.44 117.51 121.93 1sqf h ILE 337 Ca 0.00 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1sqf h ILE 337 Cb 0.17 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1sqf h ILE 337 CO 0.00 0.17 -0.07 0.11 0.00 0.00 0.00 178.15 178.36 1sqf h LYS 338 N 0.91 0.00 0.00 2.37 1.57 -1.53 -1.56 116.57 118.33 1sqf h LYS 338 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1sqf h LYS 338 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1sqf h LYS 338 CO -0.07 0.07 -1.60 0.91 -0.57 0.00 0.00 179.45 178.19 1sqf n TRP 339 N -4.13 0.00 -0.07 -1.35 7.02 -0.66 -4.55 117.44 113.71 1sqf n TRP 339 Ca -0.03 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.35 1sqf n TRP 339 Cb 0.15 -0.32 -0.15 0.00 -2.42 0.00 0.00 31.31 28.57 1sqf n TRP 339 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1sqf n LEU 340 N -1.97 0.50 -4.78 -0.99 4.77 -0.63 -4.91 117.00 108.99 1sqf n LEU 340 Ca -0.02 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 1sqf n LEU 340 Cb 0.44 0.28 0.10 0.00 -2.33 0.00 0.00 43.42 41.91 1sqf n LEU 340 CO 0.39 0.49 0.70 -0.13 -1.33 0.00 0.00 177.39 177.51 1sqf s ARG 341 N -2.53 2.04 0.03 3.23 1.81 -0.60 -5.08 118.95 117.85 1sqf s ARG 341 Ca -0.10 0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 54.66 1sqf s ARG 341 Cb 0.07 -1.90 -0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1sqf s ARG 341 CO 0.82 -1.69 0.07 1.03 -0.68 0.00 0.00 175.30 174.85 1sqf s ARG 342 N -5.06 0.54 0.36 3.54 0.52 -1.26 -4.96 118.95 112.64 1sqf s ARG 342 Ca 0.61 -0.73 0.09 0.00 -0.52 0.00 0.00 55.73 55.18 1sqf s ARG 342 Cb -0.15 0.21 0.82 0.00 0.52 0.00 0.00 34.95 36.35 1sqf s ARG 342 CO 0.55 -0.13 1.87 0.22 0.02 0.00 0.00 175.30 177.84 1sqf h ASP 343 N 3.83 0.65 0.18 0.23 3.58 -1.96 0.12 116.42 123.05 1sqf h ASP 343 Ca -0.32 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1sqf h ASP 343 Cb 1.19 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 1sqf h ASP 343 CO 0.49 0.33 -0.11 0.08 -2.88 0.00 0.00 179.24 177.15 1sqf h ARG 344 N 0.68 0.00 -0.04 0.28 -0.00 -1.96 -2.70 114.38 110.64 1sqf h ARG 344 Ca 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.42 1sqf h ARG 344 Cb 0.72 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.68 1sqf h ARG 344 CO -0.20 0.11 0.02 -0.44 -0.00 0.00 0.00 179.97 179.46 1sqf h ASP 345 N 0.00 0.04 -0.11 0.08 3.32 -1.16 -3.15 116.42 115.44 1sqf h ASP 345 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1sqf h ASP 345 Cb 0.23 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1sqf h ASP 345 CO 0.01 0.04 0.02 0.40 -1.72 0.00 0.00 179.24 177.99 1sqf h ILE 346 N 0.05 1.20 0.00 0.35 1.08 -1.59 0.13 117.51 118.74 1sqf h ILE 346 Ca 0.01 -0.64 -0.11 0.00 -0.39 0.00 0.00 64.86 63.74 1sqf h ILE 346 Cb -0.00 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1sqf h ILE 346 CO -0.00 0.19 -0.51 -0.65 -0.69 0.00 0.00 178.15 176.49 1sqf h PRO 347 N -0.03 0.00 -0.24 2.37 0.11 -1.75 -1.28 132.00 131.18 1sqf h PRO 347 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1sqf h PRO 347 Cb 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1sqf h PRO 347 CO 0.00 0.51 0.11 0.93 -0.21 0.00 0.00 178.00 179.34 1sqf h GLU 348 N 0.00 0.35 -0.38 1.05 3.07 -1.46 -1.26 114.58 115.96 1sqf h GLU 348 Ca -0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 1sqf h GLU 348 Cb 0.91 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 1sqf h GLU 348 CO 0.07 0.35 -0.18 -0.07 -1.40 0.00 0.00 179.01 177.78 1sqf h LEU 349 N 0.26 0.71 -1.00 1.33 3.38 -0.65 -1.41 115.31 117.93 1sqf h LEU 349 Ca 0.08 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1sqf h LEU 349 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sqf h LEU 349 CO -0.01 0.89 -0.13 0.00 0.09 0.00 0.00 178.44 179.28 1sqf h ALA 350 N 1.17 1.16 -0.26 1.53 0.00 -1.09 -0.05 119.26 121.72 1sqf h ALA 350 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1sqf h ALA 350 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sqf h ALA 350 CO 0.05 0.53 -0.06 0.37 0.00 0.00 0.00 179.25 180.14 1sqf h GLN 351 N 0.53 0.50 -0.59 0.00 5.75 -0.81 0.08 115.11 120.56 1sqf h GLN 351 Ca 0.09 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1sqf h GLN 351 Cb 0.53 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1sqf h GLN 351 CO 0.03 0.71 0.39 1.25 -2.65 0.00 0.00 178.83 178.56 1sqf h LEU 352 N 0.25 0.66 -0.40 -2.39 5.85 -1.01 0.01 115.31 118.28 1sqf h LEU 352 Ca 0.07 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sqf h LEU 352 Cb 0.53 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1sqf h LEU 352 CO 0.02 0.47 0.25 1.56 -0.34 0.00 0.00 178.44 180.40 1sqf h GLN 353 N 0.78 0.55 -0.97 1.25 4.20 -0.99 -1.09 115.11 118.83 1sqf h GLN 353 Ca 0.22 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1sqf h GLN 353 Cb -0.06 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.55 1sqf h GLN 353 CO -0.06 0.40 0.64 1.03 -0.67 0.00 0.00 178.83 180.18 1sqf h SER 354 N 0.53 1.11 -0.52 1.46 0.87 -0.17 -1.63 113.55 115.20 1sqf h SER 354 Ca 0.15 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1sqf h SER 354 Cb -0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1sqf h SER 354 CO -0.03 0.80 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.98 1sqf h GLU 355 N 1.31 0.93 -0.09 2.24 4.81 -0.60 -2.29 114.58 120.88 1sqf h GLU 355 Ca 0.36 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1sqf h GLU 355 Cb -0.14 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1sqf h GLU 355 CO -0.08 0.95 -0.01 0.82 -0.73 0.00 0.00 179.01 179.96 1sqf h ILE 356 N 0.80 1.27 -0.95 2.32 1.08 -0.78 0.88 117.51 122.14 1sqf h ILE 356 Ca 0.15 -0.87 0.23 0.00 -0.39 0.00 0.00 64.86 63.97 1sqf h ILE 356 Cb 0.54 1.68 -0.12 0.00 -3.07 0.00 0.00 36.82 35.85 1sqf h ILE 356 CO 0.03 0.25 0.49 -0.07 -0.69 0.00 0.00 178.15 178.16 1sqf h LEU 357 N -0.14 0.51 -0.57 1.44 4.07 -1.31 -0.38 115.31 118.93 1sqf h LEU 357 Ca 0.02 0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.98 1sqf h LEU 357 Cb 0.39 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1sqf h LEU 357 CO 0.01 0.06 -0.70 0.44 -1.08 0.00 0.00 178.44 177.17 1sqf h ASP 358 N 0.50 0.00 0.86 -0.43 3.32 -0.69 -2.62 116.42 117.36 1sqf h ASP 358 Ca 0.59 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.43 1sqf h ASP 358 Cb 1.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 1sqf h ASP 358 CO -0.49 0.70 -1.21 0.00 -1.72 0.00 0.00 179.24 176.51 1sqf h ALA 359 N 1.30 0.56 0.04 3.45 0.00 0.18 -3.38 119.26 121.42 1sqf h ALA 359 Ca -0.01 -1.03 -0.31 0.00 0.00 0.00 0.00 54.91 53.56 1sqf h ALA 359 Cb 1.26 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1sqf h ALA 359 CO 0.09 1.25 -1.78 0.97 0.00 0.00 0.00 179.25 179.78 1sqf h ILE 360 N 0.00 0.80 -0.98 0.00 6.09 -1.17 -3.40 117.51 118.85 1sqf h ILE 360 Ca -0.12 -2.60 0.27 0.00 -1.37 0.00 0.00 64.86 61.05 1sqf h ILE 360 Cb 1.78 2.46 -0.18 0.00 0.47 0.00 0.00 36.82 41.35 1sqf h ILE 360 CO 0.10 0.63 0.03 1.87 -3.07 0.00 0.00 178.15 177.70 1sqf n TRP 361 N -3.19 0.64 0.24 2.19 -0.00 -0.99 0.32 117.44 116.64 1sqf n TRP 361 Ca -0.21 1.18 0.10 0.00 -0.00 0.00 0.00 57.50 58.58 1sqf n TRP 361 Cb 1.05 -1.25 0.59 0.00 -0.00 0.00 0.00 31.31 31.71 1sqf n TRP 361 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1sqf h PRO 362 N 0.00 0.00 0.00 5.87 0.11 -1.81 -1.88 132.00 134.29 1sqf h PRO 362 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1sqf h PRO 362 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sqf h PRO 362 CO -0.92 0.19 0.00 0.72 -0.21 0.00 0.00 178.00 177.78 1sqf n HIS 363 N -3.61 0.00 -3.25 0.65 8.25 0.15 -4.79 115.22 112.62 1sqf n HIS 363 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1sqf n HIS 363 Cb 0.32 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1sqf n HIS 363 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1sqf s LEU 364 N -2.27 4.29 0.38 2.41 2.96 -0.71 0.71 118.68 126.45 1sqf s LEU 364 Ca 0.34 0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 54.89 1sqf s LEU 364 Cb 0.18 -2.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.00 1sqf s LEU 364 CO 0.36 -0.02 1.15 -1.59 -1.32 0.00 0.00 176.35 174.93 1sqf s LYS 365 N 0.63 4.15 0.07 1.98 -2.85 0.43 -4.85 119.74 119.29 1sqf s LYS 365 Ca 0.29 1.81 -0.36 0.00 -1.00 0.00 0.00 55.97 56.70 1sqf s LYS 365 Cb -0.16 -2.73 -0.16 0.00 -2.06 0.00 0.00 37.83 32.72 1sqf s LYS 365 CO 0.12 -0.23 1.45 2.41 0.10 0.00 0.00 175.35 179.20 1sqf n THR 366 N 0.21 0.05 0.00 3.79 -1.04 -1.26 0.28 114.28 116.31 1sqf n THR 366 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1sqf n THR 366 Cb 0.46 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1sqf n THR 366 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sqf n GLY 367 N 2.93 2.17 3.73 3.41 0.00 -1.26 -4.98 105.19 111.20 1sqf n GLY 367 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1sqf n GLY 367 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqf s GLY 368 N -1.94 1.59 -0.06 -0.02 0.00 0.80 -4.70 107.32 102.99 1sqf s GLY 368 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.10 1sqf s GLY 368 CO 0.00 0.02 -0.15 -1.59 0.00 0.00 0.00 173.10 171.38 1sqf s THR 369 N -3.20 1.29 -0.12 0.90 2.01 -0.99 -1.42 115.64 114.10 1sqf s THR 369 Ca 0.67 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1sqf s THR 369 Cb -0.14 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1sqf s THR 369 CO 0.55 0.38 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.45 1sqf s LEU 370 N 0.36 1.94 -0.17 4.42 0.20 0.35 -0.62 118.68 125.15 1sqf s LEU 370 Ca -0.10 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.20 1sqf s LEU 370 Cb -0.14 -1.27 -0.01 0.00 -0.43 0.00 0.00 46.19 44.35 1sqf s LEU 370 CO 0.03 0.07 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.36 1sqf s VAL 371 N 0.77 3.05 -0.21 1.68 1.01 -0.22 0.07 120.40 126.56 1sqf s VAL 371 Ca -0.10 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1sqf s VAL 371 Cb -0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1sqf s VAL 371 CO 0.01 0.49 0.08 -0.47 0.00 0.00 0.00 175.10 175.20 1sqf s TYR 372 N 0.86 3.20 0.04 5.22 5.04 0.11 -0.89 117.35 130.94 1sqf s TYR 372 Ca -0.03 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.58 1sqf s TYR 372 Cb -0.15 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 1sqf s TYR 372 CO 0.00 -0.00 -0.09 0.00 -1.34 0.00 0.00 175.55 174.12 1sqf s ALA 373 N 0.81 0.70 0.11 3.97 0.00 0.27 -0.70 121.76 126.92 1sqf s ALA 373 Ca 0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1sqf s ALA 373 Cb -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1sqf s ALA 373 CO 0.02 0.03 0.10 0.95 0.00 0.00 0.00 175.76 176.87 1sqf s THR 374 N -1.27 0.13 -0.63 0.00 -4.23 -0.78 -1.15 115.64 107.71 1sqf s THR 374 Ca -0.07 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1sqf s THR 374 Cb -0.09 -1.79 0.40 0.00 1.34 0.00 0.00 72.50 72.36 1sqf s THR 374 CO 0.01 -0.57 1.66 0.00 -0.54 0.00 0.00 174.62 175.18 1sqf s SER 376 N -2.23 4.86 0.00 0.00 0.15 -1.26 -0.14 113.70 115.07 1sqf s SER 376 Ca 0.53 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.83 1sqf s SER 376 Cb 0.44 -1.05 0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1sqf s SER 376 CO -0.23 0.05 0.70 1.33 1.20 0.00 0.00 173.24 176.30 1sqf n VAL 377 N -0.44 0.00 -2.63 4.45 0.24 -1.26 -3.76 118.33 114.93 1sqf n VAL 377 Ca -0.09 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.30 1sqf n VAL 377 Cb 0.56 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 34.05 1sqf n VAL 377 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sqf s LEU 378 N -0.72 4.23 0.51 1.34 1.43 -1.26 -4.96 118.68 119.25 1sqf s LEU 378 Ca 0.08 1.57 0.28 0.00 -1.03 0.00 0.00 54.13 55.03 1sqf s LEU 378 Cb 0.06 -3.55 1.39 0.00 0.03 0.00 0.00 46.19 44.11 1sqf s LEU 378 CO 0.10 -0.52 1.87 -0.65 0.23 0.00 0.00 176.35 177.39 1sqf h PRO 379 N 7.25 0.10 -0.14 1.29 0.11 -1.96 -1.67 132.00 136.98 1sqf h PRO 379 Ca -0.30 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 1sqf h PRO 379 Cb 1.14 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1sqf h PRO 379 CO 0.88 0.07 -0.18 0.93 -0.21 0.00 0.00 178.00 179.48 1sqf h GLU 380 N 0.10 0.24 0.00 1.05 3.07 -1.97 0.56 114.58 117.63 1sqf h GLU 380 Ca 0.45 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1sqf h GLU 380 Cb 1.62 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 1sqf h GLU 380 CO -0.06 0.43 -0.78 0.39 -1.40 0.00 0.00 179.01 177.58 1sqf n GLU 381 N -4.22 0.27 0.00 2.33 1.02 -0.64 -3.41 120.64 115.98 1sqf n GLU 381 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1sqf n GLU 381 Cb 0.31 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1sqf n GLU 381 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sqf n ASN 382 N -2.01 0.00 -0.00 1.62 3.02 -0.84 -4.64 115.26 112.42 1sqf n ASN 382 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1sqf n ASN 382 Cb 0.43 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.87 1sqf n ASN 382 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1sqf h SER 383 N 0.00 0.50 -0.22 6.41 4.64 -1.71 -0.81 113.55 122.36 1sqf h SER 383 Ca 0.00 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1sqf h SER 383 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1sqf h SER 383 CO 0.00 0.61 0.07 -0.07 -0.87 0.00 0.00 176.83 176.57 1sqf h LEU 384 N 0.50 0.32 -0.55 5.97 3.38 -1.17 0.15 115.31 123.91 1sqf h LEU 384 Ca 0.10 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1sqf h LEU 384 Cb 0.41 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1sqf h LEU 384 CO 0.02 0.44 0.00 -0.61 0.09 0.00 0.00 178.44 178.38 1sqf h GLN 385 N 0.18 0.12 0.00 1.13 5.75 -1.35 0.96 115.11 121.90 1sqf h GLN 385 Ca 0.07 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1sqf h GLN 385 Cb 0.24 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1sqf h GLN 385 CO -0.00 0.08 -0.32 0.82 -2.65 0.00 0.00 178.83 176.75 1sqf h ILE 386 N 0.12 0.78 0.35 2.39 1.08 -0.92 -1.79 117.51 119.52 1sqf h ILE 386 Ca 0.28 -1.36 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 1sqf h ILE 386 Cb 0.43 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 1sqf h ILE 386 CO -0.46 0.32 -0.17 0.50 -0.69 0.00 0.00 178.15 177.65 1sqf h LYS 387 N 0.00 -0.45 -0.34 2.37 3.64 0.37 -2.72 116.57 119.44 1sqf h LYS 387 Ca -0.00 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1sqf h LYS 387 Cb 0.83 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1sqf h LYS 387 CO 0.04 -0.14 0.05 0.00 -2.27 0.00 0.00 179.45 177.13 1sqf h ALA 388 N -0.27 0.35 -0.80 5.00 0.00 -0.49 -2.93 119.26 120.12 1sqf h ALA 388 Ca -0.05 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1sqf h ALA 388 Cb 0.51 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1sqf h ALA 388 CO 0.08 -0.35 0.45 0.35 0.00 0.00 0.00 179.25 179.78 1sqf h PHE 389 N 0.16 0.82 -0.70 0.00 3.04 -1.22 -1.98 116.94 117.07 1sqf h PHE 389 Ca 0.16 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 1sqf h PHE 389 Cb 0.19 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 1sqf h PHE 389 CO -0.20 0.34 0.17 -0.07 -2.02 0.00 0.00 178.31 176.53 1sqf h LEU 390 N 0.77 1.07 -0.24 0.59 3.38 -1.30 -0.76 115.31 118.81 1sqf h LEU 390 Ca 0.38 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1sqf h LEU 390 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1sqf h LEU 390 CO -0.24 1.03 -0.09 1.56 0.09 0.00 0.00 178.44 180.78 1sqf h GLN 391 N 1.06 -0.05 -0.01 1.13 4.20 -1.29 -2.56 115.11 117.60 1sqf h GLN 391 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1sqf h GLN 391 Cb 0.38 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1sqf h GLN 391 CO 0.00 -0.03 -0.20 2.89 -0.67 0.00 0.00 178.83 180.82 1sqf n ARG 392 N -5.26 0.89 -3.94 1.46 1.85 -1.00 -4.61 116.66 106.05 1sqf n ARG 392 Ca -0.01 -0.49 -0.30 0.00 -1.00 0.00 0.00 57.85 56.05 1sqf n ARG 392 Cb 0.18 -1.49 -0.14 0.00 -1.05 0.00 0.00 32.46 29.96 1sqf n ARG 392 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sqf s THR 393 N -2.44 2.66 0.39 8.89 2.01 -0.30 -4.95 115.64 121.89 1sqf s THR 393 Ca 0.27 -3.32 0.38 0.00 0.31 0.00 0.00 61.69 59.32 1sqf s THR 393 Cb 0.20 -2.84 0.40 0.00 0.01 0.00 0.00 72.50 70.27 1sqf s THR 393 CO 0.49 -0.81 2.17 0.00 -0.69 0.00 0.00 174.62 175.78 1sqf h ALA 394 N 6.50 1.04 -0.51 7.40 0.00 -1.82 -2.44 119.26 129.44 1sqf h ALA 394 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sqf h ALA 394 Cb 0.89 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sqf h ALA 394 CO 0.69 0.02 0.01 -0.40 0.00 0.00 0.00 179.25 179.58 1sqf n ASP 395 N -3.17 5.15 -4.46 0.00 5.75 -1.26 -4.89 116.55 113.67 1sqf n ASP 395 Ca -0.01 -2.83 -0.33 0.00 -0.01 0.00 0.00 54.79 51.60 1sqf n ASP 395 Cb 0.19 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 39.48 1sqf n ASP 395 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqf s ALA 396 N -2.56 2.67 0.02 2.12 0.00 -0.92 -3.52 121.76 119.56 1sqf s ALA 396 Ca 0.48 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1sqf s ALA 396 Cb 0.37 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1sqf s ALA 396 CO 0.14 0.51 -0.09 -1.83 0.00 0.00 0.00 175.76 174.48 1sqf s GLU 397 N -0.56 0.68 0.17 0.00 -1.05 -0.91 -4.96 118.70 112.07 1sqf s GLU 397 Ca 0.08 -0.50 -0.26 0.00 -0.15 0.00 0.00 54.97 54.14 1sqf s GLU 397 Cb -0.11 -0.62 -0.08 0.00 -0.44 0.00 0.00 34.13 32.87 1sqf s GLU 397 CO 0.01 0.16 0.80 -1.17 0.95 0.00 0.00 175.26 176.01 1sqf s LEU 398 N -0.73 4.59 -0.22 1.83 2.96 -1.26 -1.41 118.68 124.44 1sqf s LEU 398 Ca -0.00 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 55.59 1sqf s LEU 398 Cb -0.06 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.35 1sqf s LEU 398 CO 0.00 0.19 -0.06 0.00 -1.32 0.00 0.00 176.35 175.16 1sqf n GLU 400 N 4.70 0.00 -3.34 0.00 -0.00 -1.26 -4.40 120.64 116.34 1sqf n GLU 400 Ca -0.13 0.00 -0.44 0.00 -0.00 0.00 0.00 57.16 56.60 1sqf n GLU 400 Cb 0.45 -2.90 -0.08 0.00 -0.00 0.00 0.00 31.44 28.92 1sqf n GLU 400 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1sqf s THR 401 N -0.20 5.15 0.00 3.84 -4.23 -1.26 -4.96 115.64 113.98 1sqf s THR 401 Ca 0.00 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1sqf s THR 401 Cb 0.00 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.71 1sqf s THR 401 CO 0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1sqf n GLY 402 N 5.18 -0.20 3.24 3.99 0.00 -1.11 0.09 105.19 116.38 1sqf n GLY 402 Ca -0.10 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1sqf n GLY 402 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqf s THR 403 N 0.00 0.09 0.60 2.61 -4.23 0.93 -4.78 115.64 110.86 1sqf s THR 403 Ca 0.00 -1.64 0.30 0.00 -1.18 0.00 0.00 61.69 59.17 1sqf s THR 403 Cb 0.00 -1.92 0.36 0.00 1.34 0.00 0.00 72.50 72.28 1sqf s THR 403 CO 0.00 -0.40 2.07 -0.65 -0.54 0.00 0.00 174.62 175.10 1sqf h PRO 404 N 2.72 0.00 0.16 3.99 0.11 -1.97 -1.15 132.00 135.86 1sqf h PRO 404 Ca -0.33 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.42 1sqf h PRO 404 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sqf h PRO 404 CO 0.54 0.00 -1.85 1.49 -0.21 0.00 0.00 178.00 177.97 1sqf h GLU 405 N 0.00 0.34 -2.93 1.05 4.81 -2.01 -3.41 114.58 112.44 1sqf h GLU 405 Ca 0.09 -0.59 -0.61 0.00 -0.13 0.00 0.00 59.36 58.13 1sqf h GLU 405 Cb 0.58 0.22 -0.40 0.00 0.63 0.00 0.00 28.75 29.78 1sqf h GLU 405 CO -0.00 1.28 -0.75 -0.65 -0.73 0.00 0.00 179.01 178.16 1sqf s GLN 406 N -2.57 1.25 0.25 1.92 -0.21 -0.92 -5.08 119.66 114.29 1sqf s GLN 406 Ca -0.18 -1.99 -0.30 0.00 0.02 0.00 0.00 55.36 52.91 1sqf s GLN 406 Cb 0.06 -2.25 -0.09 0.00 1.00 0.00 0.00 33.01 31.73 1sqf s GLN 406 CO 0.82 -1.18 1.03 -2.14 -2.12 0.00 0.00 175.29 171.71 1sqf s PRO 407 N 0.35 4.72 0.48 2.91 0.02 -0.48 -0.05 135.00 142.95 1sqf s PRO 407 Ca 0.18 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1sqf s PRO 407 Cb -0.22 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1sqf s PRO 407 CO -0.01 0.32 0.00 0.41 -0.33 0.00 0.00 177.00 177.39 1sqf n GLY 408 N 1.43 -2.27 2.90 0.52 0.00 0.11 -4.25 105.19 103.64 1sqf n GLY 408 Ca -0.01 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 1sqf n GLY 408 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqf s LYS 409 N -0.30 1.05 -0.29 1.61 2.20 0.04 -2.76 119.74 121.28 1sqf s LYS 409 Ca 0.00 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.39 1sqf s LYS 409 Cb 0.00 -1.05 0.01 0.00 -1.51 0.00 0.00 37.83 35.28 1sqf s LYS 409 CO 0.00 -0.11 0.07 -1.14 -0.36 0.00 0.00 175.35 173.81 1sqf s GLN 410 N 1.09 3.12 0.29 4.03 2.00 -1.26 -1.31 119.66 127.61 1sqf s GLN 410 Ca -0.08 -0.83 -0.15 0.00 -2.00 0.00 0.00 55.36 52.30 1sqf s GLN 410 Cb -0.14 -3.34 -0.09 0.00 0.80 0.00 0.00 33.01 30.25 1sqf s GLN 410 CO -0.01 -0.42 0.70 -0.80 -0.50 0.00 0.00 175.29 174.26 1sqf s ASN 411 N 1.50 6.79 0.03 6.67 -0.87 0.21 -4.96 114.94 124.31 1sqf s ASN 411 Ca 0.03 1.24 0.06 0.00 -1.57 0.00 0.00 52.86 52.62 1sqf s ASN 411 Cb -0.17 -2.35 -0.02 0.00 -0.02 0.00 0.00 41.25 38.68 1sqf s ASN 411 CO 0.02 -0.14 -0.18 -0.76 -2.57 0.00 0.00 177.10 173.46 1sqf s LEU 412 N -2.79 2.14 0.69 0.60 1.43 -1.26 -1.92 118.68 117.57 1sqf s LEU 412 Ca 0.51 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1sqf s LEU 412 Cb -0.11 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1sqf s LEU 412 CO 0.18 0.14 1.12 -2.16 0.23 0.00 0.00 176.35 175.86 1sqf s PRO 413 N -1.01 2.60 -0.11 1.29 0.04 -1.26 -4.62 135.00 131.93 1sqf s PRO 413 Ca 0.06 1.41 -0.32 0.00 0.04 0.00 0.00 61.00 62.18 1sqf s PRO 413 Cb -0.08 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.66 1sqf s PRO 413 CO 0.01 -1.41 1.08 0.20 0.04 0.00 0.00 177.00 176.93 1sqf s GLY 414 N -2.63 -0.36 0.52 0.56 0.00 -1.25 -4.83 107.32 99.33 1sqf s GLY 414 Ca 0.67 1.33 0.22 0.00 0.00 0.00 0.00 44.72 46.94 1sqf s GLY 414 CO 0.44 0.44 2.12 0.00 0.00 0.00 0.00 173.10 176.11 1sqf h ALA 415 N 2.00 1.64 -0.07 3.20 0.00 -1.93 0.56 119.26 124.67 1sqf h ALA 415 Ca -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1sqf h ALA 415 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1sqf h ALA 415 CO 0.26 0.09 -0.26 0.39 0.00 0.00 0.00 179.25 179.73 1sqf n GLU 416 N -4.11 1.62 -4.59 0.00 1.02 -1.26 -4.76 120.64 108.57 1sqf n GLU 416 Ca -0.03 -3.05 -0.27 0.00 -0.02 0.00 0.00 57.16 53.79 1sqf n GLU 416 Cb 0.16 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.85 1sqf n GLU 416 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sqf s GLU 417 N -3.11 1.93 1.18 3.49 0.41 0.19 -5.06 118.70 117.73 1sqf s GLU 417 Ca 0.38 -2.15 -0.16 0.00 -0.41 0.00 0.00 54.97 52.62 1sqf s GLU 417 Cb 0.35 -1.17 0.28 0.00 -1.78 0.00 0.00 34.13 31.80 1sqf s GLU 417 CO -0.02 -0.27 1.05 0.20 -0.49 0.00 0.00 175.26 175.73 1sqf s GLY 418 N -3.67 1.53 0.87 -1.39 0.00 -1.26 -4.51 107.32 98.89 1sqf s GLY 418 Ca 0.25 -0.58 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 1sqf s GLY 418 CO 0.13 0.22 1.11 0.99 0.00 0.00 0.00 173.10 175.54 1sqf s ASP 419 N -3.31 3.83 0.21 1.64 1.01 -1.26 -3.83 116.67 114.96 1sqf s ASP 419 Ca 0.68 1.24 -0.32 0.00 0.71 0.00 0.00 52.55 54.87 1sqf s ASP 419 Cb -0.17 -1.92 -0.12 0.00 1.01 0.00 0.00 42.92 41.72 1sqf s ASP 419 CO 0.59 -2.38 1.72 -0.83 0.21 0.00 0.00 175.17 174.48 1sqf s GLY 420 N -3.79 1.22 0.01 0.21 0.00 -0.25 -4.37 107.32 100.36 1sqf s GLY 420 Ca 0.63 1.58 -0.28 0.00 0.00 0.00 0.00 44.72 46.65 1sqf s GLY 420 CO 0.55 2.87 0.78 -0.12 0.00 0.00 0.00 173.10 177.18 1sqf s PHE 421 N 1.18 -0.47 -0.01 1.90 2.19 -0.81 -4.18 117.98 117.78 1sqf s PHE 421 Ca 0.75 0.48 -0.00 0.00 0.33 0.00 0.00 56.93 58.49 1sqf s PHE 421 Cb -0.50 0.51 0.02 0.00 -1.31 0.00 0.00 43.02 41.74 1sqf s PHE 421 CO 0.32 -0.62 0.02 0.12 1.83 0.00 0.00 175.22 176.89 1sqf s PHE 422 N -2.64 0.02 0.01 10.12 5.36 -0.48 0.67 117.98 131.03 1sqf s PHE 422 Ca -0.00 0.08 0.07 0.00 -0.96 0.00 0.00 56.93 56.11 1sqf s PHE 422 Cb -0.01 -0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 1sqf s PHE 422 CO -0.05 -0.05 -0.20 0.71 -1.46 0.00 0.00 175.22 174.16 1sqf s TYR 423 N 0.64 1.79 -0.04 10.12 1.51 -0.43 -1.87 117.35 129.07 1sqf s TYR 423 Ca -0.05 -0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1sqf s TYR 423 Cb -0.08 -1.11 0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1sqf s TYR 423 CO -0.02 0.03 0.02 0.00 -1.11 0.00 0.00 175.55 174.47 1sqf s ALA 424 N -0.63 0.36 -0.15 3.71 0.00 0.12 -0.78 121.76 124.39 1sqf s ALA 424 Ca 0.07 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1sqf s ALA 424 Cb -0.08 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1sqf s ALA 424 CO 0.00 -0.24 -0.02 -1.59 0.00 0.00 0.00 175.76 173.92 1sqf s LYS 425 N 1.46 3.66 0.11 0.00 0.00 -1.26 -0.71 119.74 123.00 1sqf s LYS 425 Ca -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 55.97 55.50 1sqf s LYS 425 Cb -0.13 -2.96 -0.04 0.00 0.00 0.00 0.00 37.83 34.71 1sqf s LYS 425 CO -0.03 0.29 -0.12 -0.51 0.00 0.00 0.00 175.35 174.99 1sqf s LEU 426 N 0.24 2.40 0.00 2.77 1.43 0.11 -1.18 118.68 124.45 1sqf s LEU 426 Ca -0.01 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1sqf s LEU 426 Cb -0.14 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 1sqf s LEU 426 CO 0.02 -0.21 -0.10 0.27 0.23 0.00 0.00 176.35 176.56 1sqf s ILE 427 N -2.27 0.79 -1.20 -0.59 -4.36 -0.50 -0.49 121.20 112.57 1sqf s ILE 427 Ca 0.06 -0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 59.79 1sqf s ILE 427 Cb -0.04 -0.68 0.19 0.00 1.25 0.00 0.00 42.46 43.18 1sqf s ILE 427 CO 0.01 0.14 1.43 1.17 0.24 0.00 0.00 174.94 177.93 1sqf n LYS 428 N 2.60 3.45 0.00 0.37 4.81 -0.51 -2.15 118.16 126.73 1sqf n LYS 428 Ca -0.15 -3.93 0.10 0.00 -0.87 0.00 0.00 58.31 53.46 1sqf n LYS 428 Cb 0.56 -2.94 0.62 0.00 0.02 0.00 0.00 35.03 33.29 1sqf n LYS 428 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93