#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijw h ASP 3 N 0.00 0.55 -0.12 6.41 3.32 -2.05 0.76 116.42 125.28 3ijw h ASP 3 Ca 0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3ijw h ASP 3 Cb 0.00 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3ijw h ASP 3 CO 0.00 0.44 -0.08 0.40 -1.72 0.00 0.00 179.24 178.28 3ijw h ILE 4 N 0.63 1.33 -0.28 0.35 2.04 -1.98 -2.44 117.51 117.16 3ijw h ILE 4 Ca 0.16 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 3ijw h ILE 4 Cb 0.01 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3ijw h ILE 4 CO -0.03 0.33 -0.29 -0.37 0.00 0.00 0.00 178.15 177.79 3ijw h VAL 5 N -0.09 1.28 -0.13 1.67 -1.51 -1.88 -2.79 116.25 112.80 3ijw h VAL 5 Ca 0.03 -1.38 0.01 0.00 -1.23 0.00 0.00 66.70 64.12 3ijw h VAL 5 Cb 0.56 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 3ijw h VAL 5 CO 0.02 0.44 0.09 0.00 -1.23 0.00 0.00 177.57 176.89 3ijw h ALA 6 N 1.18 1.96 -0.47 5.19 0.00 -0.79 -2.34 119.26 123.99 3ijw h ALA 6 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ijw h ALA 6 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ijw h ALA 6 CO 0.06 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 3ijw n SER 7 N -4.52 2.95 -4.61 0.00 3.41 -0.92 -4.87 113.62 105.06 3ijw n SER 7 Ca -0.01 -1.95 -0.34 0.00 -0.26 0.00 0.00 58.87 56.31 3ijw n SER 7 Cb 0.11 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 3ijw n SER 7 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ijw s THR 8 N -1.38 4.15 -0.14 6.66 2.01 -0.88 -4.97 115.64 121.08 3ijw s THR 8 Ca 0.38 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 3ijw s THR 8 Cb 0.20 -2.77 -0.13 0.00 0.01 0.00 0.00 72.50 69.81 3ijw s THR 8 CO 0.28 0.56 0.26 0.06 -0.69 0.00 0.00 174.62 175.08 3ijw h GLN 9 N 5.77 0.00 -6.20 4.92 -0.00 -1.89 -3.48 115.11 114.23 3ijw h GLN 9 Ca -0.43 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 57.65 3ijw h GLN 9 Cb 1.19 0.00 -0.19 0.00 -0.00 0.00 0.00 27.48 28.47 3ijw h GLN 9 CO 0.58 0.53 -0.81 -0.51 -0.00 0.00 0.00 178.83 178.62 3ijw s LEU 10 N -8.24 2.39 0.47 0.06 1.43 -1.26 -5.11 118.68 108.42 3ijw s LEU 10 Ca -0.15 -0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 51.91 3ijw s LEU 10 Cb 0.01 -0.94 -0.08 0.00 0.03 0.00 0.00 46.19 45.21 3ijw s LEU 10 CO 0.38 0.04 1.33 -2.65 0.23 0.00 0.00 176.35 175.68 3ijw n PRO 11 N 0.56 1.93 -2.91 1.29 -0.02 -1.26 -4.92 135.00 129.67 3ijw n PRO 11 Ca -0.15 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 3ijw n PRO 11 Cb 0.56 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3ijw n PRO 11 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ijw s ASN 12 N -0.64 7.43 0.28 2.55 0.01 -0.65 -4.95 114.94 118.96 3ijw s ASN 12 Ca 0.64 1.69 0.02 0.00 -0.71 0.00 0.00 52.86 54.51 3ijw s ASN 12 Cb -0.46 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.63 3ijw s ASN 12 CO 0.55 0.13 0.15 0.42 -1.51 0.00 0.00 177.10 176.85 3ijw s THR 13 N -0.83 0.27 0.28 1.60 -4.23 -1.26 -0.74 115.64 110.72 3ijw s THR 13 Ca 0.39 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 3ijw s THR 13 Cb -0.23 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.36 3ijw s THR 13 CO 0.27 0.00 1.85 0.40 -0.54 0.00 0.00 174.62 176.60 3ijw h ILE 14 N 2.32 0.95 0.43 2.99 2.04 -1.83 -0.92 117.51 123.50 3ijw h ILE 14 Ca -0.34 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3ijw h ILE 14 Cb 1.25 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3ijw h ILE 14 CO 0.52 0.19 -0.21 0.11 0.00 0.00 0.00 178.15 178.76 3ijw h LYS 15 N 1.02 -0.56 -0.27 2.37 1.57 -1.95 -0.65 116.57 118.11 3ijw h LYS 15 Ca 0.48 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.21 3ijw h LYS 15 Cb 0.43 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3ijw h LYS 15 CO -0.24 -0.33 -0.22 1.79 -0.57 0.00 0.00 179.45 179.88 3ijw h THR 16 N -0.66 1.26 -0.33 -0.16 1.35 -1.84 -0.33 112.91 112.20 3ijw h THR 16 Ca -0.06 -1.22 -0.11 0.00 -0.55 0.00 0.00 66.41 64.47 3ijw h THR 16 Cb 0.49 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3ijw h THR 16 CO 0.10 0.39 -0.24 0.40 -0.25 0.00 0.00 175.52 175.91 3ijw h ILE 17 N 0.44 1.29 -0.67 6.82 2.04 -1.16 -0.25 117.51 126.04 3ijw h ILE 17 Ca 0.07 -1.39 0.07 0.00 1.00 0.00 0.00 64.86 64.61 3ijw h ILE 17 Cb 0.63 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 3ijw h ILE 17 CO 0.05 0.45 0.35 0.74 0.00 0.00 0.00 178.15 179.74 3ijw h THR 18 N 0.51 0.91 0.10 -0.27 2.02 -0.89 0.96 112.91 116.26 3ijw h THR 18 Ca 0.06 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3ijw h THR 18 Cb 0.80 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3ijw h THR 18 CO 0.06 0.11 -0.05 -1.13 0.37 0.00 0.00 175.52 174.89 3ijw h ASN 19 N 0.63 -0.12 -0.80 4.18 -1.24 -0.58 -2.26 115.58 115.39 3ijw h ASN 19 Ca 0.31 -0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.40 3ijw h ASN 19 Cb 0.26 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.27 3ijw h ASN 19 CO -0.22 -0.06 0.44 0.44 -1.29 0.00 0.00 177.43 176.74 3ijw h ASP 20 N -0.17 0.61 -0.41 1.15 3.32 -0.73 -2.16 116.42 118.04 3ijw h ASP 20 Ca -0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ijw h ASP 20 Cb 0.13 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ijw h ASP 20 CO 0.02 0.34 0.25 -0.07 -1.72 0.00 0.00 179.24 178.06 3ijw h LEU 21 N 0.73 0.48 -0.37 1.55 3.38 -0.57 -2.10 115.31 118.41 3ijw h LEU 21 Ca 0.39 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 3ijw h LEU 21 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ijw h LEU 21 CO -0.26 0.39 0.12 0.03 0.09 0.00 0.00 178.44 178.81 3ijw h ARG 22 N 0.54 0.57 -0.30 1.13 3.08 -1.06 -2.04 114.38 116.30 3ijw h ARG 22 Ca 0.15 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3ijw h ARG 22 Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3ijw h ARG 22 CO -0.03 0.58 0.20 -0.22 -1.07 0.00 0.00 179.97 179.43 3ijw h LYS 23 N 0.45 0.39 0.00 0.04 1.63 -1.25 0.83 116.57 118.67 3ijw h LYS 23 Ca 0.12 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3ijw h LYS 23 Cb 0.24 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3ijw h LYS 23 CO -0.00 0.26 0.00 1.25 -3.45 0.00 0.00 179.45 177.50 3ijw h LEU 24 N 0.40 0.00 0.00 5.20 5.85 -1.12 -3.47 115.31 122.17 3ijw h LEU 24 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ijw h LEU 24 Cb -0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3ijw h LEU 24 CO -0.02 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.69 3ijw n GLY 25 N 0.32 1.07 3.75 3.75 0.00 0.28 -4.89 105.19 109.48 3ijw n GLY 25 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3ijw n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ijw s LEU 26 N 0.00 4.58 0.13 0.99 2.96 -0.79 -5.01 118.68 121.55 3ijw s LEU 26 Ca 0.00 2.10 -0.12 0.00 -0.22 0.00 0.00 54.13 55.89 3ijw s LEU 26 Cb 0.00 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3ijw s LEU 26 CO 0.00 -0.03 0.31 -1.59 -1.32 0.00 0.00 176.35 173.73 3ijw s LYS 27 N -1.14 1.05 0.11 1.98 -2.85 -1.26 -4.26 119.74 113.38 3ijw s LYS 27 Ca 0.44 -0.94 -0.36 0.00 -1.00 0.00 0.00 55.97 54.12 3ijw s LYS 27 Cb -0.29 0.41 -0.16 0.00 -2.06 0.00 0.00 37.83 35.73 3ijw s LYS 27 CO 0.36 -0.39 1.32 1.17 0.10 0.00 0.00 175.35 177.91 3ijw n LYS 28 N -0.18 1.23 -0.88 1.78 4.81 -1.10 -4.62 118.16 119.20 3ijw n LYS 28 Ca -0.13 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 3ijw n LYS 28 Cb 0.63 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.61 3ijw n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ijw n GLY 29 N 2.47 0.05 2.82 3.14 0.00 -0.35 -4.94 105.19 108.39 3ijw n GLY 29 Ca 0.17 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3ijw n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijw s THR 31 N -1.77 0.61 -0.02 2.61 2.01 -1.26 -4.35 115.64 113.48 3ijw s THR 31 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3ijw s THR 31 Cb 0.00 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.81 3ijw s THR 31 CO 0.00 0.30 -0.00 0.54 -0.69 0.00 0.00 174.62 174.77 3ijw s VAL 32 N 1.86 0.12 -0.19 3.82 0.11 -0.47 -0.28 120.40 125.38 3ijw s VAL 32 Ca 0.05 0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 3ijw s VAL 32 Cb -0.12 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3ijw s VAL 32 CO -0.06 0.10 0.05 -0.51 -3.33 0.00 0.00 175.10 171.35 3ijw s ILE 33 N 0.66 4.63 -0.07 7.04 2.07 -0.70 -0.49 121.20 134.34 3ijw s ILE 33 Ca -0.06 -0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.13 3ijw s ILE 33 Cb -0.09 -3.09 -0.02 0.00 0.13 0.00 0.00 42.46 39.39 3ijw s ILE 33 CO -0.01 0.45 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.59 3ijw s VAL 34 N 0.54 2.67 -0.03 4.00 1.01 -0.00 -0.79 120.40 127.79 3ijw s VAL 34 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3ijw s VAL 34 Cb -0.13 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 3ijw s VAL 34 CO 0.01 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.54 3ijw s HIS 35 N -0.26 1.37 0.05 5.22 3.76 -0.69 -4.51 115.29 120.24 3ijw s HIS 35 Ca 0.00 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 3ijw s HIS 35 Cb -0.13 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.64 3ijw s HIS 35 CO 0.03 -0.12 0.23 -1.54 -0.85 0.00 0.00 174.74 172.49 3ijw s SER 36 N 0.04 -0.02 -0.23 1.40 1.04 -1.26 -0.88 113.70 113.80 3ijw s SER 36 Ca -0.02 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 3ijw s SER 36 Cb -0.10 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.37 3ijw s SER 36 CO 0.01 -0.60 -0.11 -0.55 0.98 0.00 0.00 173.24 172.98 3ijw s SER 37 N -2.16 3.99 0.08 7.02 0.15 -0.70 -4.81 113.70 117.27 3ijw s SER 37 Ca -0.04 -0.84 -0.24 0.00 0.70 0.00 0.00 55.95 55.53 3ijw s SER 37 Cb -0.00 -1.60 -0.16 0.00 -1.71 0.00 0.00 66.02 62.55 3ijw s SER 37 CO -0.04 -0.09 1.69 0.25 1.20 0.00 0.00 173.24 176.24 3ijw h LEU 38 N 7.96 -0.04 -1.60 3.45 5.85 -1.97 -3.04 115.31 125.93 3ijw h LEU 38 Ca -0.35 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3ijw h LEU 38 Cb 1.11 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3ijw h LEU 38 CO 0.58 0.02 0.33 0.77 -0.34 0.00 0.00 178.44 179.79 3ijw h SER 39 N -0.09 0.45 -0.03 1.25 4.64 -1.96 -2.26 113.55 115.54 3ijw h SER 39 Ca -0.00 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3ijw h SER 39 Cb 0.08 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3ijw h SER 39 CO 0.01 0.30 0.05 0.77 -0.87 0.00 0.00 176.83 177.10 3ijw h SER 40 N 0.52 0.00 0.79 4.97 4.64 -1.89 -2.43 113.55 120.15 3ijw h SER 40 Ca 0.20 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3ijw h SER 40 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3ijw h SER 40 CO -0.05 0.00 -0.48 0.40 -0.87 0.00 0.00 176.83 175.83 3ijw h ILE 41 N 0.00 1.10 0.00 0.95 2.04 -1.53 -2.25 117.51 117.81 3ijw h ILE 41 Ca 0.02 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3ijw h ILE 41 Cb 0.12 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3ijw h ILE 41 CO -0.00 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.23 3ijw n GLY 42 N 0.29 -2.63 3.72 5.37 0.00 -0.91 -0.51 105.19 110.52 3ijw n GLY 42 Ca -0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 3ijw n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ijw s TRP 43 N -0.75 3.31 -0.11 1.61 -0.00 -1.26 -4.85 118.94 116.89 3ijw s TRP 43 Ca 0.00 1.13 0.03 0.00 -0.00 0.00 0.00 56.10 57.26 3ijw s TRP 43 Cb 0.00 -3.58 0.00 0.00 -0.00 0.00 0.00 33.47 29.89 3ijw s TRP 43 CO 0.00 -1.93 -0.23 0.42 -0.00 0.00 0.00 176.95 175.22 3ijw s ILE 44 N 0.79 2.00 -0.47 5.86 1.01 -1.26 -1.64 121.20 127.48 3ijw s ILE 44 Ca 0.61 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 3ijw s ILE 44 Cb -0.35 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 3ijw s ILE 44 CO 0.32 0.54 1.63 -0.55 0.00 0.00 0.00 174.94 176.88 3ijw s SER 45 N 0.51 5.91 0.00 3.58 0.15 0.08 -2.06 113.70 121.87 3ijw s SER 45 Ca -0.15 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.22 3ijw s SER 45 Cb -0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3ijw s SER 45 CO 0.05 -1.80 0.00 0.61 1.20 0.00 0.00 173.24 173.31 3ijw n GLY 46 N 5.37 0.52 7.00 9.45 0.00 -1.26 -4.61 105.19 121.65 3ijw n GLY 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ijw n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijw n GLY 47 N -1.93 3.03 0.30 -0.02 0.00 -0.88 -2.08 105.19 103.62 3ijw n GLY 47 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 3ijw n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijw h ALA 48 N -0.43 1.39 -0.75 4.61 0.00 -1.92 -2.19 119.26 119.97 3ijw h ALA 48 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ijw h ALA 48 Cb 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3ijw h ALA 48 CO 0.00 0.46 0.45 0.28 0.00 0.00 0.00 179.25 180.44 3ijw h VAL 49 N 0.70 1.03 -0.69 0.00 2.07 -1.79 -1.07 116.25 116.50 3ijw h VAL 49 Ca 0.17 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3ijw h VAL 49 Cb 0.18 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3ijw h VAL 49 CO -0.01 0.15 0.46 0.00 0.02 0.00 0.00 177.57 178.19 3ijw h ALA 50 N 1.35 0.88 -0.30 1.67 0.00 -1.32 -0.91 119.26 120.64 3ijw h ALA 50 Ca 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ijw h ALA 50 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ijw h ALA 50 CO -0.16 0.31 -0.03 0.28 0.00 0.00 0.00 179.25 179.65 3ijw h VAL 51 N 0.94 1.27 -0.35 0.00 2.07 -1.26 -0.25 116.25 118.67 3ijw h VAL 51 Ca 0.25 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3ijw h VAL 51 Cb -0.11 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3ijw h VAL 51 CO -0.05 0.32 0.19 0.58 0.02 0.00 0.00 177.57 178.63 3ijw h VAL 52 N 0.32 1.14 -0.52 2.57 2.07 -1.00 -1.92 116.25 118.90 3ijw h VAL 52 Ca 0.08 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3ijw h VAL 52 Cb 0.48 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3ijw h VAL 52 CO 0.02 0.14 0.20 -0.33 0.02 0.00 0.00 177.57 177.62 3ijw h GLU 53 N 0.45 0.76 -0.26 1.57 4.39 -1.08 -2.89 114.58 117.52 3ijw h GLU 53 Ca 0.12 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3ijw h GLU 53 Cb 0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3ijw h GLU 53 CO -0.02 0.63 0.01 0.00 -1.16 0.00 0.00 179.01 178.48 3ijw h ALA 54 N 1.47 0.34 0.00 3.43 0.00 -0.75 -1.32 119.26 122.44 3ijw h ALA 54 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ijw h ALA 54 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ijw h ALA 54 CO -0.02 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3ijw n LEU 55 N -4.64 0.03 0.00 0.00 4.77 -0.75 -1.83 117.00 114.58 3ijw n LEU 55 Ca -0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3ijw n LEU 55 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3ijw n LEU 55 CO 0.38 0.01 0.00 1.21 -1.33 0.00 0.00 177.39 177.65 3ijw n GLU 57 N 0.65 0.00 0.02 3.23 4.07 -0.50 -0.93 120.64 127.18 3ijw n GLU 57 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 3ijw n GLU 57 Cb 0.01 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.30 3ijw n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3ijw h VAL 58 N 0.00 1.14 -0.21 6.31 2.07 -1.63 -3.37 116.25 120.56 3ijw h VAL 58 Ca 0.00 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 3ijw h VAL 58 Cb 0.00 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ijw h VAL 58 CO 0.00 0.29 -0.38 0.40 0.02 0.00 0.00 177.57 177.90 3ijw h ILE 59 N -0.74 1.33 -2.35 4.57 1.08 -1.29 -2.91 117.51 117.20 3ijw h ILE 59 Ca -0.01 -1.60 0.25 0.00 -0.39 0.00 0.00 64.86 63.10 3ijw h ILE 59 Cb 0.56 1.84 -0.12 0.00 -3.07 0.00 0.00 36.82 36.03 3ijw h ILE 59 CO 0.02 0.50 -0.75 0.35 -0.69 0.00 0.00 178.15 177.57 3ijw n THR 60 N -4.26 -0.34 0.21 -0.27 -2.24 -1.26 -1.21 114.28 104.92 3ijw n THR 60 Ca -0.06 0.50 0.08 0.00 -2.27 0.00 0.00 64.05 62.31 3ijw n THR 60 Cb 0.52 -0.83 0.41 0.00 -2.10 0.00 0.00 70.33 68.32 3ijw n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ijw n GLU 61 N -3.67 0.11 0.07 -0.78 1.02 -1.26 -0.91 120.64 115.22 3ijw n GLU 61 Ca -0.05 0.52 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 3ijw n GLU 61 Cb 0.47 -1.79 0.42 0.00 -0.02 0.00 0.00 31.44 30.52 3ijw n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ijw n GLU 62 N -2.00 0.20 -1.01 3.49 1.02 -1.26 -2.61 120.64 118.47 3ijw n GLU 62 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3ijw n GLU 62 Cb 0.08 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3ijw n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ijw n GLY 63 N 1.36 2.35 2.84 0.62 0.00 -0.09 -4.57 105.19 107.69 3ijw n GLY 63 Ca 0.06 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 3ijw n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijw s THR 64 N 0.84 -0.06 -0.14 2.61 2.01 -1.26 -0.86 115.64 118.79 3ijw s THR 64 Ca 0.00 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 3ijw s THR 64 Cb 0.00 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 3ijw s THR 64 CO 0.00 0.08 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.37 3ijw s ILE 65 N 1.15 4.12 0.41 1.82 1.01 0.36 -1.36 121.20 128.71 3ijw s ILE 65 Ca -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3ijw s ILE 65 Cb -0.12 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3ijw s ILE 65 CO -0.04 0.52 0.06 -0.38 0.00 0.00 0.00 174.94 175.10 3ijw n ILE 66 N 3.11 0.00 -4.24 2.92 -0.00 0.35 -0.52 119.36 120.98 3ijw n ILE 66 Ca -0.18 -2.10 -0.35 0.00 -0.00 0.00 0.00 62.75 60.12 3ijw n ILE 66 Cb 0.53 0.57 -0.09 0.00 -0.00 0.00 0.00 39.64 40.65 3ijw n ILE 66 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3ijw s PRO 68 N -3.50 3.21 -0.40 0.38 0.04 -1.26 -0.82 135.00 132.63 3ijw s PRO 68 Ca 0.08 -0.35 0.09 0.00 0.04 0.00 0.00 61.00 60.86 3ijw s PRO 68 Cb 0.00 -2.92 0.43 0.00 0.04 0.00 0.00 34.50 32.06 3ijw s PRO 68 CO 0.06 0.65 1.05 0.25 0.04 0.00 0.00 177.00 179.05 3ijw n THR 69 N 2.32 1.92 -2.13 1.26 -2.24 0.02 -4.82 114.28 110.61 3ijw n THR 69 Ca -0.19 -4.35 -0.36 0.00 -2.27 0.00 0.00 64.05 56.89 3ijw n THR 69 Cb 0.54 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 68.14 3ijw n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ijw s GLN 70 N -3.40 3.27 -0.42 -0.78 -0.21 -1.24 -4.19 119.66 112.70 3ijw s GLN 70 Ca 0.41 1.77 0.10 0.00 0.02 0.00 0.00 55.36 57.66 3ijw s GLN 70 Cb 0.42 -2.06 0.31 0.00 1.00 0.00 0.00 33.01 32.67 3ijw s GLN 70 CO -0.11 -0.95 0.69 -1.13 -2.12 0.00 0.00 175.29 171.66 3ijw n SER 71 N -1.24 1.20 0.29 5.90 3.41 -0.70 -1.73 113.62 120.75 3ijw n SER 71 Ca 0.12 -3.01 0.18 0.00 -0.26 0.00 0.00 58.87 55.89 3ijw n SER 71 Cb 0.49 -0.62 0.81 0.00 -0.26 0.00 0.00 64.21 64.64 3ijw n SER 71 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ijw h SER 72 N 3.38 0.00 0.32 4.04 4.64 -1.86 -2.10 113.55 121.97 3ijw h SER 72 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ijw h SER 72 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3ijw h SER 72 CO 0.54 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 3ijw n ASP 73 N -3.15 0.37 -0.14 4.97 5.68 -1.26 -1.71 116.55 121.30 3ijw n ASP 73 Ca -0.01 0.63 0.14 0.00 -0.50 0.00 0.00 54.79 55.05 3ijw n ASP 73 Cb 0.25 -0.69 0.73 0.00 -1.14 0.00 0.00 41.12 40.26 3ijw n ASP 73 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ijw n LEU 74 N -1.95 0.43 -4.91 -2.12 4.32 -0.79 -4.97 117.00 107.01 3ijw n LEU 74 Ca 0.01 -0.15 -0.28 0.00 -0.02 0.00 0.00 56.01 55.56 3ijw n LEU 74 Cb 0.11 -0.01 0.09 0.00 -1.62 0.00 0.00 43.42 41.99 3ijw n LEU 74 CO 0.11 0.08 0.75 -0.94 -1.22 0.00 0.00 177.39 176.17 3ijw s SER 75 N -1.86 4.52 -0.03 -1.43 1.04 -0.70 -4.29 113.70 110.95 3ijw s SER 75 Ca 0.40 0.68 -0.30 0.00 0.48 0.00 0.00 55.95 57.21 3ijw s SER 75 Cb 0.19 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.07 3ijw s SER 75 CO 0.32 -1.87 1.42 -0.62 0.98 0.00 0.00 173.24 173.47 3ijw s ASP 76 N -4.58 6.83 0.00 7.02 3.68 -1.20 -4.91 116.67 123.52 3ijw s ASP 76 Ca 0.62 2.07 0.21 0.00 2.13 0.00 0.00 52.55 57.59 3ijw s ASP 76 Cb -0.11 -2.55 1.13 0.00 -1.45 0.00 0.00 42.92 39.94 3ijw s ASP 76 CO 0.48 -0.76 1.67 -0.81 0.13 0.00 0.00 175.17 175.88 3ijw n PRO 77 N 5.84 0.40 -0.35 4.34 -0.04 -1.26 -2.69 135.00 141.24 3ijw n PRO 77 Ca 0.14 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 3ijw n PRO 77 Cb 0.44 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.58 3ijw n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ijw n LYS 78 N -1.21 -0.09 0.00 0.54 5.02 -1.26 -2.08 118.16 119.08 3ijw n LYS 78 Ca 0.12 1.53 0.13 0.00 -2.02 0.00 0.00 58.31 58.08 3ijw n LYS 78 Cb 0.14 -2.34 0.42 0.00 -0.02 0.00 0.00 35.03 33.24 3ijw n LYS 78 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ijw n HIS 79 N -5.58 0.00 -2.20 2.13 8.25 -1.10 -4.98 115.22 111.74 3ijw n HIS 79 Ca 0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 3ijw n HIS 79 Cb 0.58 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 3ijw n HIS 79 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ijw s TRP 80 N -2.04 2.86 0.00 4.41 0.51 -0.89 -4.94 118.94 118.85 3ijw s TRP 80 Ca 0.35 1.51 0.00 0.00 -2.12 0.00 0.00 56.10 55.84 3ijw s TRP 80 Cb 0.21 -3.45 0.00 0.00 -0.81 0.00 0.00 33.47 29.42 3ijw s TRP 80 CO 0.35 -1.64 0.07 -1.13 -0.51 0.00 0.00 176.95 174.08 3ijw n SER 81 N -0.36 0.00 -3.17 2.95 3.41 -1.26 -4.21 113.62 110.99 3ijw n SER 81 Ca 0.07 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.45 3ijw n SER 81 Cb 0.47 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3ijw n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ijw n ARG 82 N 0.00 1.47 -3.33 4.33 1.74 -1.26 -3.55 116.66 116.06 3ijw n ARG 82 Ca 0.00 -3.74 -0.20 0.00 -0.77 0.00 0.00 57.85 53.15 3ijw n ARG 82 Cb 0.31 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 3ijw n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ijw s PRO 83 N -2.29 3.08 0.93 5.56 0.04 -1.26 -5.17 135.00 135.88 3ijw s PRO 83 Ca 0.40 -0.92 -0.12 0.00 0.04 0.00 0.00 61.00 60.40 3ijw s PRO 83 Cb 0.27 -2.76 0.15 0.00 0.04 0.00 0.00 34.50 32.20 3ijw s PRO 83 CO -0.09 -0.04 1.13 -1.25 0.04 0.00 0.00 177.00 176.79 3ijw s PRO 84 N -4.27 1.00 0.10 0.56 0.04 -1.23 -4.86 135.00 126.33 3ijw s PRO 84 Ca 0.46 0.31 0.04 0.00 0.04 0.00 0.00 61.00 61.85 3ijw s PRO 84 Cb -0.10 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3ijw s PRO 84 CO 0.33 -2.30 -0.11 0.14 0.04 0.00 0.00 177.00 175.10 3ijw s VAL 85 N -3.24 1.01 0.26 -0.36 -7.23 -1.26 -4.96 120.40 104.63 3ijw s VAL 85 Ca 0.64 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 3ijw s VAL 85 Cb -0.15 -1.33 -0.14 0.00 0.56 0.00 0.00 36.38 35.32 3ijw s VAL 85 CO 0.54 -0.49 1.00 -2.65 -0.31 0.00 0.00 175.10 173.19 3ijw n PRO 86 N 0.67 1.23 0.13 4.82 -0.02 -1.26 -4.86 135.00 135.72 3ijw n PRO 86 Ca -0.17 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 3ijw n PRO 86 Cb 0.57 -1.80 0.61 0.00 -0.02 0.00 0.00 33.50 32.86 3ijw n PRO 86 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ijw h GLU 87 N 2.17 0.11 0.00 -0.52 4.81 -2.00 -0.42 114.58 118.73 3ijw h GLU 87 Ca -0.39 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 3ijw h GLU 87 Cb 1.35 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 3ijw h GLU 87 CO 0.62 0.07 -0.06 1.05 -0.73 0.00 0.00 179.01 179.97 3ijw h GLU 88 N 0.11 0.00 0.00 1.92 9.09 -2.05 -1.27 114.58 122.39 3ijw h GLU 88 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 3ijw h GLU 88 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3ijw h GLU 88 CO -0.01 0.06 0.00 -1.49 0.05 0.00 0.00 179.01 177.61 3ijw h TRP 89 N 0.00 0.00 -0.50 2.06 4.06 -1.41 -3.39 115.95 116.77 3ijw h TRP 89 Ca -0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 3ijw h TRP 89 Cb 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 3ijw h TRP 89 CO 0.00 0.00 0.05 -1.49 -3.56 0.00 0.00 178.44 173.44 3ijw h TRP 90 N 0.00 0.92 -0.10 0.49 6.55 -1.28 0.54 115.95 123.06 3ijw h TRP 90 Ca 0.00 -0.14 -0.15 0.00 0.95 0.00 0.00 58.89 59.54 3ijw h TRP 90 Cb 0.95 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.99 3ijw h TRP 90 CO 0.00 0.85 -0.60 0.37 -1.05 0.00 0.00 178.44 178.00 3ijw h GLN 91 N 0.72 0.35 -0.37 0.49 5.75 -1.75 -1.83 115.11 118.47 3ijw h GLN 91 Ca 0.15 -0.24 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3ijw h GLN 91 Cb 0.45 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 3ijw h GLN 91 CO 0.02 0.85 0.14 0.82 -2.65 0.00 0.00 178.83 178.01 3ijw h ILE 92 N 0.26 0.91 -0.37 2.39 2.04 -1.68 -0.90 117.51 120.17 3ijw h ILE 92 Ca -0.01 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3ijw h ILE 92 Cb 1.13 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3ijw h ILE 92 CO 0.10 0.06 0.18 0.40 0.00 0.00 0.00 178.15 178.88 3ijw h ILE 93 N 0.31 0.97 -0.35 -0.67 2.04 -0.64 -0.67 117.51 118.50 3ijw h ILE 93 Ca 0.17 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3ijw h ILE 93 Cb 0.13 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3ijw h ILE 93 CO -0.16 0.07 -0.03 0.03 0.00 0.00 0.00 178.15 178.06 3ijw h ARG 94 N 0.37 0.55 0.00 2.37 3.08 -1.03 -0.20 114.38 119.52 3ijw h ARG 94 Ca 0.16 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3ijw h ARG 94 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ijw h ARG 94 CO -0.12 0.60 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.66 3ijw h ASP 95 N 0.52 0.00 0.00 7.04 3.32 -0.92 -3.42 116.42 122.97 3ijw h ASP 95 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ijw h ASP 95 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3ijw h ASP 95 CO 0.02 0.02 -0.91 0.59 -1.72 0.00 0.00 179.24 177.23 3ijw n ASN 96 N -2.64 4.56 -4.75 6.45 3.02 -0.28 -5.04 115.26 116.58 3ijw n ASN 96 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 3ijw n ASN 96 Cb 0.49 0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 40.44 3ijw n ASN 96 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ijw s VAL 97 N -1.85 2.20 0.35 2.41 0.11 -0.11 -4.90 120.40 118.61 3ijw s VAL 97 Ca 0.00 0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.95 3ijw s VAL 97 Cb 0.00 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.65 3ijw s VAL 97 CO 0.00 0.03 1.09 -2.16 -3.33 0.00 0.00 175.10 170.73 3ijw s PRO 98 N -0.29 4.33 0.62 1.54 0.04 -1.26 -4.86 135.00 135.13 3ijw s PRO 98 Ca 0.64 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 3ijw s PRO 98 Cb -0.47 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3ijw s PRO 98 CO 0.45 -0.03 0.99 0.00 0.04 0.00 0.00 177.00 178.45 3ijw n ALA 99 N 0.46 0.21 -1.84 8.56 0.00 -1.26 -4.83 120.51 121.81 3ijw n ALA 99 Ca 0.02 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3ijw n ALA 99 Cb 0.47 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 3ijw n ALA 99 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ijw s PHE 100 N -1.53 3.03 -0.04 0.00 5.36 -0.46 -4.93 117.98 119.40 3ijw s PHE 100 Ca 0.77 1.21 -0.02 0.00 -0.96 0.00 0.00 56.93 57.93 3ijw s PHE 100 Cb -0.40 -3.76 0.03 0.00 -0.34 0.00 0.00 43.02 38.55 3ijw s PHE 100 CO 0.46 -2.29 0.05 -1.21 -1.46 0.00 0.00 175.22 170.77 3ijw s GLU 101 N -1.03 -0.01 0.29 10.12 2.02 -1.26 -4.45 118.70 124.38 3ijw s GLU 101 Ca 0.54 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.88 3ijw s GLU 101 Cb -0.41 -0.54 0.50 0.00 0.10 0.00 0.00 34.13 33.79 3ijw s GLU 101 CO 0.48 -0.32 1.88 -1.35 0.02 0.00 0.00 175.26 175.97 3ijw h PRO 102 N 8.37 1.03 0.00 0.39 0.10 -1.94 0.13 132.00 140.09 3ijw h PRO 102 Ca -0.14 -0.06 0.00 0.00 0.10 0.00 0.00 66.00 65.90 3ijw h PRO 102 Cb 1.12 -0.23 0.00 0.00 0.10 0.00 0.00 31.00 31.99 3ijw h PRO 102 CO 0.18 0.68 0.00 -2.39 0.10 0.00 0.00 178.00 176.57 3ijw n HIS 103 N -4.52 0.00 0.00 0.65 1.44 -1.26 -4.30 115.22 107.23 3ijw n HIS 103 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 3ijw n HIS 103 Cb 0.24 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.35 3ijw n HIS 103 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3ijw n ILE 104 N -0.86 0.00 -1.76 0.61 5.41 0.32 -5.09 119.36 117.98 3ijw n ILE 104 Ca 0.14 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.47 3ijw n ILE 104 Cb 0.07 -0.18 -0.03 0.00 -0.71 0.00 0.00 39.64 38.79 3ijw n ILE 104 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3ijw s THR 105 N -1.31 3.19 0.62 1.39 2.01 -0.36 -4.96 115.64 116.22 3ijw s THR 105 Ca 0.00 0.22 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 3ijw s THR 105 Cb 0.00 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 3ijw s THR 105 CO 0.00 -0.08 1.28 -2.84 -0.69 0.00 0.00 174.62 172.29 3ijw s PRO 106 N 5.26 2.74 0.81 4.92 0.02 -1.26 -4.99 135.00 142.50 3ijw s PRO 106 Ca 0.89 2.02 -0.12 0.00 0.02 0.00 0.00 61.00 63.81 3ijw s PRO 106 Cb -0.34 -1.92 0.08 0.00 0.02 0.00 0.00 34.50 32.34 3ijw s PRO 106 CO 0.36 -1.44 1.17 0.95 -0.33 0.00 0.00 177.00 177.71 3ijw s THR 107 N -1.43 2.02 -0.06 0.99 -4.23 -1.26 -4.69 115.64 106.98 3ijw s THR 107 Ca 0.80 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 3ijw s THR 107 Cb -0.36 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.50 3ijw s THR 107 CO 0.39 0.00 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.84 3ijw s ARG 108 N -5.56 0.81 -0.71 3.99 6.06 -0.71 -4.97 118.95 117.86 3ijw s ARG 108 Ca 0.62 -0.04 -0.01 0.00 -2.50 0.00 0.00 55.73 53.80 3ijw s ARG 108 Cb -0.11 -0.95 0.00 0.00 0.06 0.00 0.00 34.95 33.96 3ijw s ARG 108 CO 0.49 -0.17 0.69 0.00 -2.50 0.00 0.00 175.30 173.80 3ijw n ALA 109 N 4.50 -2.52 -3.57 6.12 0.00 -1.26 -4.74 120.51 119.04 3ijw n ALA 109 Ca -0.18 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3ijw n ALA 109 Cb 0.50 -1.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3ijw n ALA 109 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ijw s GLY 111 N -2.96 -0.37 0.42 0.00 0.00 -1.26 -5.08 107.32 98.07 3ijw s GLY 111 Ca 0.02 0.12 0.23 0.00 0.00 0.00 0.00 44.72 45.08 3ijw s GLY 111 CO 0.74 0.02 1.79 0.50 0.00 0.00 0.00 173.10 176.15 3ijw h LYS 112 N 2.02 0.00 -0.40 2.90 1.57 -1.99 -1.97 116.57 118.69 3ijw h LYS 112 Ca -0.28 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 3ijw h LYS 112 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3ijw h LYS 112 CO 0.32 0.26 -0.11 0.28 -0.57 0.00 0.00 179.45 179.64 3ijw h VAL 113 N 0.00 1.28 -0.44 0.50 2.07 -1.91 -2.29 116.25 115.45 3ijw h VAL 113 Ca -0.00 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3ijw h VAL 113 Cb 0.80 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3ijw h VAL 113 CO 0.03 0.40 0.05 0.58 0.02 0.00 0.00 177.57 178.65 3ijw h VAL 114 N 0.60 1.25 -0.72 2.57 2.07 -1.85 -0.46 116.25 119.71 3ijw h VAL 114 Ca 0.10 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3ijw h VAL 114 Cb 0.64 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3ijw h VAL 114 CO 0.04 0.33 0.47 -0.33 0.02 0.00 0.00 177.57 178.10 3ijw h GLU 115 N 0.60 0.88 -0.03 1.57 4.39 -1.28 -0.63 114.58 120.08 3ijw h GLU 115 Ca 0.13 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 3ijw h GLU 115 Cb 0.42 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3ijw h GLU 115 CO 0.01 0.58 -0.20 0.00 -1.16 0.00 0.00 179.01 178.25 3ijw h PHE 117 N -0.39 0.24 0.00 0.00 3.57 -0.74 -2.66 116.94 116.96 3ijw h PHE 117 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3ijw h PHE 117 Cb 0.88 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3ijw h PHE 117 CO 0.15 0.07 0.00 0.07 -2.23 0.00 0.00 178.31 176.37 3ijw h ARG 118 N 0.30 0.00 0.00 1.11 0.11 -1.21 -1.39 114.38 113.30 3ijw h ARG 118 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 3ijw h ARG 118 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 3ijw h ARG 118 CO -0.23 0.00 -0.66 0.25 0.10 0.00 0.00 179.97 179.43 3ijw n THR 119 N -2.84 0.07 -2.01 0.08 -2.24 -1.02 -4.88 114.28 101.44 3ijw n THR 119 Ca -0.01 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 3ijw n THR 119 Cb 0.18 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 3ijw n THR 119 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3ijw s TYR 120 N -3.05 2.44 0.40 4.78 1.51 -0.53 -4.93 117.35 117.97 3ijw s TYR 120 Ca 0.09 1.49 -0.27 0.00 -1.01 0.00 0.00 57.07 57.38 3ijw s TYR 120 Cb 0.16 -3.53 -0.10 0.00 -0.11 0.00 0.00 41.96 38.38 3ijw s TYR 120 CO 0.74 -2.24 1.35 -0.35 -1.11 0.00 0.00 175.55 173.94 3ijw n PRO 121 N -1.31 2.19 -0.62 -1.71 -0.04 -1.26 -2.44 135.00 129.81 3ijw n PRO 121 Ca 0.12 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 3ijw n PRO 121 Cb 0.48 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3ijw n PRO 121 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ijw n ASN 122 N 0.32 0.00 -4.71 3.54 3.02 -1.26 -5.00 115.26 111.18 3ijw n ASN 122 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 3ijw n ASN 122 Cb 0.39 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3ijw n ASN 122 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ijw s VAL 123 N -3.38 4.91 0.10 2.41 1.01 -1.02 -4.72 120.40 119.71 3ijw s VAL 123 Ca 0.00 1.85 0.07 0.00 0.00 0.00 0.00 61.98 63.90 3ijw s VAL 123 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3ijw s VAL 123 CO 0.00 0.16 -0.08 0.68 0.00 0.00 0.00 175.10 175.86 3ijw s VAL 124 N 1.14 3.47 -0.05 2.92 -7.23 -0.53 -4.92 120.40 115.21 3ijw s VAL 124 Ca 0.47 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 59.47 3ijw s VAL 124 Cb -0.19 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 3ijw s VAL 124 CO 0.23 0.12 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.34 3ijw s ARG 125 N -2.21 2.04 0.90 4.82 3.52 -1.26 -0.71 118.95 126.05 3ijw s ARG 125 Ca 0.22 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 54.99 3ijw s ARG 125 Cb -0.11 -1.76 0.13 0.00 -1.56 0.00 0.00 34.95 31.65 3ijw s ARG 125 CO 0.14 0.29 1.09 -1.54 -0.81 0.00 0.00 175.30 174.48 3ijw s SER 126 N -0.04 3.46 0.00 -2.12 1.04 0.81 -4.96 113.70 111.89 3ijw s SER 126 Ca -0.04 1.48 0.15 0.00 0.48 0.00 0.00 55.95 58.03 3ijw s SER 126 Cb -0.12 -2.16 0.43 0.00 0.10 0.00 0.00 66.02 64.26 3ijw s SER 126 CO 0.03 -2.65 1.36 -0.46 0.98 0.00 0.00 173.24 172.49 3ijw n ASN 127 N -3.89 2.57 -4.71 7.02 6.94 -1.26 -4.61 115.26 117.32 3ijw n ASN 127 Ca 0.07 -2.00 -0.42 0.00 -0.02 0.00 0.00 54.58 52.21 3ijw n ASN 127 Cb 0.55 -0.32 -0.03 0.00 -2.36 0.00 0.00 39.78 37.62 3ijw n ASN 127 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3ijw s HIS 128 N -1.36 3.50 -0.05 -2.53 2.46 -1.26 -4.90 115.29 111.15 3ijw s HIS 128 Ca 0.32 1.42 0.31 0.00 0.47 0.00 0.00 55.06 57.58 3ijw s HIS 128 Cb 0.17 -3.33 1.37 0.00 -0.13 0.00 0.00 32.58 30.66 3ijw s HIS 128 CO 0.22 -0.88 1.91 -1.00 -2.47 0.00 0.00 174.74 172.52 3ijw h PRO 129 N 6.81 0.00 0.00 2.88 0.13 -1.91 -3.21 132.00 136.69 3ijw h PRO 129 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3ijw h PRO 129 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ijw h PRO 129 CO 0.79 0.00 -0.85 1.28 -0.23 0.00 0.00 178.00 178.99 3ijw n LEU 130 N -2.71 2.20 -2.34 1.56 4.77 -1.26 -4.59 117.00 114.63 3ijw n LEU 130 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3ijw n LEU 130 Cb 0.22 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3ijw n LEU 130 CO 0.22 0.37 0.15 0.61 -1.33 0.00 0.00 177.39 177.41 3ijw n GLY 131 N 3.12 5.63 3.79 -0.72 0.00 -1.25 -1.72 105.19 114.05 3ijw n GLY 131 Ca 0.00 -2.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.17 3ijw n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ijw s SER 132 N -3.55 4.46 0.09 1.61 1.04 -1.21 -4.85 113.70 111.29 3ijw s SER 132 Ca 0.47 1.38 0.04 0.00 0.48 0.00 0.00 55.95 58.32 3ijw s SER 132 Cb 0.40 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 64.37 3ijw s SER 132 CO -0.08 -2.00 -0.11 -0.36 0.98 0.00 0.00 173.24 171.67 3ijw s PHE 133 N -3.11 1.08 0.10 5.02 0.08 -1.26 -0.79 117.98 119.10 3ijw s PHE 133 Ca 0.61 -0.61 0.08 0.00 0.12 0.00 0.00 56.93 57.13 3ijw s PHE 133 Cb -0.15 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 3ijw s PHE 133 CO 0.55 0.01 -0.17 0.00 -0.10 0.00 0.00 175.22 175.51 3ijw s ALA 134 N -2.22 2.69 0.00 5.36 0.00 -1.26 -0.13 121.76 126.20 3ijw s ALA 134 Ca 0.04 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 3ijw s ALA 134 Cb -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3ijw s ALA 134 CO 0.01 0.59 0.17 0.00 0.00 0.00 0.00 175.76 176.53 3ijw s ALA 135 N -1.11 -0.39 -0.02 0.00 0.00 0.11 -4.31 121.76 116.05 3ijw s ALA 135 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3ijw s ALA 135 Cb -0.11 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3ijw s ALA 135 CO 0.09 -0.23 -0.02 -0.46 0.00 0.00 0.00 175.76 175.14 3ijw s TRP 136 N -1.50 0.36 0.00 0.00 -0.00 0.32 -1.45 118.94 116.68 3ijw s TRP 136 Ca -0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 56.10 55.91 3ijw s TRP 136 Cb -0.07 -0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.08 3ijw s TRP 136 CO 0.02 -0.06 0.00 0.41 -0.00 0.00 0.00 176.95 177.31 3ijw n GLY 137 N 3.48 0.14 0.18 5.86 0.00 -1.26 -0.49 105.19 113.11 3ijw n GLY 137 Ca -0.19 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.56 3ijw n GLY 137 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ijw h ARG 138 N 0.00 0.51 -0.54 1.61 2.43 -0.74 -2.36 114.38 115.30 3ijw h ARG 138 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ijw h ARG 138 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3ijw h ARG 138 CO 0.00 0.34 0.00 0.72 -1.51 0.00 0.00 179.97 179.52 3ijw n HIS 139 N -4.83 1.59 -0.19 2.20 8.25 -1.26 -4.68 115.22 116.30 3ijw n HIS 139 Ca 0.02 -0.70 -0.01 0.00 -0.26 0.00 0.00 57.72 56.76 3ijw n HIS 139 Cb 0.05 -0.36 0.09 0.00 1.12 0.00 0.00 29.99 30.89 3ijw n HIS 139 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ijw h ALA 140 N 3.55 0.73 -0.02 -1.41 0.00 -1.69 -0.82 119.26 119.60 3ijw h ALA 140 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ijw h ALA 140 Cb 1.64 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3ijw h ALA 140 CO 0.33 -0.17 -0.01 0.93 0.00 0.00 0.00 179.25 180.32 3ijw h GLU 141 N 0.42 0.05 -1.00 0.00 4.39 -1.83 -2.45 114.58 114.15 3ijw h GLU 141 Ca 0.28 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.01 3ijw h GLU 141 Cb 0.31 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3ijw h GLU 141 CO -0.27 0.47 0.65 1.49 -1.16 0.00 0.00 179.01 180.19 3ijw h GLU 142 N -0.38 1.17 -0.30 2.33 4.81 -1.84 -1.31 114.58 119.06 3ijw h GLU 142 Ca 0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 3ijw h GLU 142 Cb 0.46 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3ijw h GLU 142 CO 0.00 0.77 -0.36 0.82 -0.73 0.00 0.00 179.01 179.51 3ijw h ILE 143 N 1.20 1.29 -0.00 2.32 2.04 -1.10 -3.27 117.51 119.99 3ijw h ILE 143 Ca 0.42 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3ijw h ILE 143 Cb 0.10 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3ijw h ILE 143 CO -0.15 0.49 -0.72 0.35 0.00 0.00 0.00 178.15 178.12 3ijw n THR 144 N -4.05 0.00 -2.89 -0.27 -2.24 -0.93 -4.09 114.28 99.81 3ijw n THR 144 Ca -0.01 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 3ijw n THR 144 Cb 0.51 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 3ijw n THR 144 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ijw s VAL 145 N -2.98 4.40 -1.35 2.28 0.11 -0.53 -4.28 120.40 118.04 3ijw s VAL 145 Ca 0.10 1.49 -0.03 0.00 -2.93 0.00 0.00 61.98 60.61 3ijw s VAL 145 Cb 0.17 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 3ijw s VAL 145 CO 0.77 -0.10 0.33 0.59 -3.33 0.00 0.00 175.10 173.36 3ijw n ASN 146 N -0.09 -5.25 -4.74 3.54 5.03 -1.26 -4.97 115.26 107.52 3ijw n ASN 146 Ca 0.04 -0.16 -0.42 0.00 0.87 0.00 0.00 54.58 54.91 3ijw n ASN 146 Cb 0.52 -4.18 -0.02 0.00 -1.02 0.00 0.00 39.78 35.08 3ijw n ASN 146 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3ijw s GLN 147 N -5.28 4.17 0.36 3.52 0.74 -1.26 -4.87 119.66 117.05 3ijw s GLN 147 Ca 0.16 2.48 -0.25 0.00 0.05 0.00 0.00 55.36 57.80 3ijw s GLN 147 Cb -0.07 -3.08 -0.09 0.00 1.10 0.00 0.00 33.01 30.86 3ijw s GLN 147 CO 0.20 -0.61 1.01 0.45 -0.55 0.00 0.00 175.29 175.80 3ijw s SER 148 N 0.74 7.02 -0.02 6.67 0.15 -1.26 -4.87 113.70 122.13 3ijw s SER 148 Ca 0.66 1.97 -0.22 0.00 0.70 0.00 0.00 55.95 59.06 3ijw s SER 148 Cb -0.46 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.12 3ijw s SER 148 CO 0.40 -0.30 0.98 0.25 1.20 0.00 0.00 173.24 175.78 3ijw h LEU 149 N 2.82 -0.38 -8.03 3.45 5.85 -1.97 -3.38 115.31 113.68 3ijw h LEU 149 Ca -0.48 -0.16 -0.26 0.00 0.84 0.00 0.00 57.88 57.82 3ijw h LEU 149 Cb 1.20 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3ijw h LEU 149 CO 0.64 0.05 0.83 -0.44 -0.34 0.00 0.00 178.44 179.18 3ijw s SER 150 N -5.09 4.73 0.00 1.25 0.01 -1.26 -4.92 113.70 108.43 3ijw s SER 150 Ca -0.12 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.74 3ijw s SER 150 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3ijw s SER 150 CO 0.45 -3.36 0.00 -1.54 0.41 0.00 0.00 173.24 169.19 3ijw n SER 152 N 15.39 0.53 -1.24 2.44 3.41 -1.26 -4.94 113.62 127.94 3ijw n SER 152 Ca 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3ijw n SER 152 Cb 0.47 0.03 0.24 0.00 -0.26 0.00 0.00 64.21 64.69 3ijw n SER 152 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ijw n LEU 153 N -1.05 4.49 0.00 1.04 4.77 -1.26 -4.49 117.00 120.50 3ijw n LEU 153 Ca 0.00 -3.35 0.00 0.00 -0.03 0.00 0.00 56.01 52.63 3ijw n LEU 153 Cb 0.06 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3ijw n LEU 153 CO 0.00 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3ijw n GLY 154 N -0.71 1.68 0.15 -0.72 0.00 -1.26 -4.10 105.19 100.24 3ijw n GLY 154 Ca 0.31 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.75 3ijw n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ijw h GLU 155 N 0.00 0.00 -0.52 1.61 4.39 -1.96 -2.10 114.58 116.00 3ijw h GLU 155 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ijw h GLU 155 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ijw h GLU 155 CO 0.00 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.24 3ijw n GLU 156 N -2.44 2.63 -2.60 2.33 1.02 -1.26 -4.78 120.64 115.54 3ijw n GLU 156 Ca 0.03 -2.34 -0.25 0.00 -0.02 0.00 0.00 57.16 54.58 3ijw n GLU 156 Cb 0.31 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3ijw n GLU 156 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ijw s SER 157 N -1.08 5.63 0.57 1.62 1.04 -0.79 -4.29 113.70 116.40 3ijw s SER 157 Ca 0.37 0.52 0.28 0.00 0.48 0.00 0.00 55.95 57.60 3ijw s SER 157 Cb 0.20 -1.58 1.51 0.00 0.10 0.00 0.00 66.02 66.25 3ijw s SER 157 CO 0.27 -0.97 1.99 -0.65 0.98 0.00 0.00 173.24 174.86 3ijw h PRO 158 N 0.02 0.00 -0.68 4.02 0.11 -1.86 -0.51 132.00 133.10 3ijw h PRO 158 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3ijw h PRO 158 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3ijw h PRO 158 CO 0.59 0.00 0.17 -0.07 -0.21 0.00 0.00 178.00 178.48 3ijw h LEU 159 N 0.00 1.01 -0.81 2.35 3.38 -1.89 -1.88 115.31 117.48 3ijw h LEU 159 Ca 0.19 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3ijw h LEU 159 Cb 0.94 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ijw h LEU 159 CO -0.00 0.97 -0.42 -0.09 0.09 0.00 0.00 178.44 178.99 3ijw h ARG 160 N 1.02 0.37 -0.11 1.13 9.65 -1.27 -2.45 114.38 122.72 3ijw h ARG 160 Ca 0.22 -0.19 -0.15 0.00 -1.10 0.00 0.00 59.98 58.76 3ijw h ARG 160 Cb 0.35 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3ijw h ARG 160 CO 0.00 0.73 -0.57 0.87 2.80 0.00 0.00 179.97 183.80 3ijw h LYS 161 N 0.31 0.36 -0.41 0.20 1.57 -0.89 -1.17 116.57 116.53 3ijw h LYS 161 Ca 0.03 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3ijw h LYS 161 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3ijw h LYS 161 CO 0.07 0.83 0.03 0.82 -0.57 0.00 0.00 179.45 180.63 3ijw h ILE 162 N 0.27 1.25 -0.24 1.86 2.04 -1.34 -2.04 117.51 119.31 3ijw h ILE 162 Ca -0.00 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 64.95 3ijw h ILE 162 Cb 1.09 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 3ijw h ILE 162 CO 0.10 0.33 -0.13 0.22 0.00 0.00 0.00 178.15 178.67 3ijw h TYR 163 N 0.55 -0.30 -0.40 1.37 3.20 -1.07 -1.52 116.97 118.80 3ijw h TYR 163 Ca 0.12 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3ijw h TYR 163 Cb 0.44 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3ijw h TYR 163 CO 0.03 -0.19 0.14 -0.44 -1.64 0.00 0.00 178.16 176.07 3ijw h ASP 164 N -0.10 0.51 0.13 -2.11 3.32 -1.07 0.23 116.42 117.33 3ijw h ASP 164 Ca 0.13 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ijw h ASP 164 Cb 0.29 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ijw h ASP 164 CO -0.30 0.48 0.00 0.18 -1.72 0.00 0.00 179.24 177.88 3ijw n LEU 165 N -4.37 0.00 -3.73 1.55 4.77 -0.78 -4.92 117.00 109.52 3ijw n LEU 165 Ca 0.03 0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 3ijw n LEU 165 Cb 0.15 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3ijw n LEU 165 CO 0.37 -0.00 0.19 -0.67 -1.33 0.00 0.00 177.39 175.95 3ijw n ASP 166 N -1.07 -5.63 -3.42 -1.43 2.03 0.07 -4.94 116.55 102.16 3ijw n ASP 166 Ca 0.21 -0.64 -0.26 0.00 0.52 0.00 0.00 54.79 54.61 3ijw n ASP 166 Cb 0.14 -4.55 0.22 0.00 -0.72 0.00 0.00 41.12 36.20 3ijw n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ijw n GLY 167 N -1.87 -2.72 3.48 0.27 0.00 -0.67 -4.80 105.19 98.89 3ijw n GLY 167 Ca 0.02 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 3ijw n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ijw s TYR 168 N -2.73 2.34 -0.12 1.61 2.02 0.61 -0.69 117.35 120.39 3ijw s TYR 168 Ca 0.62 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 3ijw s TYR 168 Cb -0.06 -1.04 -0.00 0.00 -0.40 0.00 0.00 41.96 40.45 3ijw s TYR 168 CO 0.47 0.67 -0.19 0.42 -1.57 0.00 0.00 175.55 175.35 3ijw s ILE 169 N -2.33 2.41 -0.20 2.71 1.01 -1.26 -1.71 121.20 121.81 3ijw s ILE 169 Ca 0.29 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 3ijw s ILE 169 Cb -0.06 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3ijw s ILE 169 CO 0.15 0.54 -0.07 -0.22 0.00 0.00 0.00 174.94 175.33 3ijw s LEU 170 N 0.51 2.78 -0.22 2.97 2.96 0.03 -4.18 118.68 123.54 3ijw s LEU 170 Ca -0.12 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3ijw s LEU 170 Cb -0.17 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3ijw s LEU 170 CO 0.05 0.01 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.30 3ijw s LEU 171 N 1.30 2.99 -0.39 -0.68 1.43 0.30 -1.70 118.68 121.93 3ijw s LEU 171 Ca 0.04 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3ijw s LEU 171 Cb -0.14 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.41 3ijw s LEU 171 CO -0.03 -0.00 0.16 -0.63 0.23 0.00 0.00 176.35 176.08 3ijw s ILE 172 N 1.39 3.21 -0.54 -0.59 1.01 -0.05 -1.57 121.20 124.05 3ijw s ILE 172 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 58.75 3ijw s ILE 172 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3ijw s ILE 172 CO -0.02 -0.59 0.00 0.61 0.00 0.00 0.00 174.94 174.95 3ijw n GLY 173 N 4.59 0.72 3.27 6.18 0.00 -0.58 -1.73 105.19 117.64 3ijw n GLY 173 Ca -0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 3ijw n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ijw s VAL 174 N -1.96 1.02 0.04 1.61 -7.23 -1.26 -4.62 120.40 108.01 3ijw s VAL 174 Ca 0.00 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 3ijw s VAL 174 Cb 0.00 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.92 3ijw s VAL 174 CO 0.00 -0.59 0.06 0.61 -0.31 0.00 0.00 175.10 174.87 3ijw n GLY 175 N -0.26 2.13 0.29 2.32 0.00 -1.26 -4.91 105.19 103.50 3ijw n GLY 175 Ca -0.08 -2.14 0.17 0.00 0.00 0.00 0.00 46.02 43.96 3ijw n GLY 175 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ijw h TYR 176 N 0.10 0.00 0.00 1.61 0.05 -1.92 -0.19 116.97 116.61 3ijw h TYR 176 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ijw h TYR 176 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3ijw h TYR 176 CO 0.00 0.06 0.00 0.38 -1.05 0.00 0.00 178.16 177.55 3ijw h ASP 177 N 0.00 0.00 -0.04 3.88 2.03 -1.86 -0.59 116.42 119.84 3ijw h ASP 177 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ijw h ASP 177 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 3ijw h ASP 177 CO 0.01 0.00 0.00 -1.20 -1.03 0.00 0.00 179.24 177.02 3ijw n SER 178 N -2.49 2.36 -4.54 4.15 7.64 -0.09 -4.80 113.62 115.85 3ijw n SER 178 Ca 0.00 -1.79 -0.43 0.00 1.01 0.00 0.00 58.87 57.67 3ijw n SER 178 Cb 0.17 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 3ijw n SER 178 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ijw s ASN 179 N -1.97 6.82 0.40 6.43 3.84 -0.23 -4.85 114.94 125.38 3ijw s ASN 179 Ca 0.33 -2.38 0.17 0.00 0.21 0.00 0.00 52.86 51.19 3ijw s ASN 179 Cb 0.20 -2.53 1.06 0.00 -0.55 0.00 0.00 41.25 39.44 3ijw s ASN 179 CO 0.31 -1.13 1.81 0.74 -2.79 0.00 0.00 177.10 176.04 3ijw h THR 180 N 5.59 0.61 -0.66 -5.21 2.02 -1.87 -2.00 112.91 111.39 3ijw h THR 180 Ca 0.36 -0.15 0.16 0.00 0.77 0.00 0.00 66.41 67.55 3ijw h THR 180 Cb 0.90 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3ijw h THR 180 CO 1.39 0.08 0.45 0.28 0.37 0.00 0.00 175.52 178.09 3ijw h SER 181 N 0.43 0.19 0.34 4.18 0.02 -1.97 -0.55 113.55 116.21 3ijw h SER 181 Ca 0.54 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 3ijw h SER 181 Cb 1.32 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3ijw h SER 181 CO -0.25 0.10 0.00 0.58 -1.14 0.00 0.00 176.83 176.12 3ijw h VAL 182 N 0.21 0.00 0.00 2.27 2.07 -1.73 -1.18 116.25 117.89 3ijw h VAL 182 Ca 0.32 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 3ijw h VAL 182 Cb 0.96 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3ijw h VAL 182 CO -0.06 0.00 -0.12 0.45 0.02 0.00 0.00 177.57 177.86 3ijw h HIS 183 N 0.00 0.00 -0.75 1.57 3.86 -1.30 -1.98 115.15 116.56 3ijw h HIS 183 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3ijw h HIS 183 Cb 0.17 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3ijw h HIS 183 CO 0.00 0.12 0.34 1.25 0.86 0.00 0.00 177.93 180.50 3ijw h LEU 184 N 0.00 0.99 -0.74 2.43 5.85 -1.36 -1.60 115.31 120.88 3ijw h LEU 184 Ca -0.00 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3ijw h LEU 184 Cb 0.21 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3ijw h LEU 184 CO 0.02 0.85 0.46 0.28 -0.34 0.00 0.00 178.44 179.70 3ijw h SER 185 N 1.07 0.73 -0.23 1.25 0.02 -1.49 -0.99 113.55 113.91 3ijw h SER 185 Ca 0.26 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3ijw h SER 185 Cb 0.14 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3ijw h SER 185 CO -0.03 0.50 0.12 -0.33 -1.14 0.00 0.00 176.83 175.95 3ijw h GLU 186 N 0.87 0.33 0.37 3.45 5.08 -1.02 -1.63 114.58 122.04 3ijw h GLU 186 Ca 0.30 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3ijw h GLU 186 Cb 0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ijw h GLU 186 CO -0.13 0.31 -0.18 0.28 -1.00 0.00 0.00 179.01 178.29 3ijw h VAL 187 N 0.26 0.63 -0.25 3.13 2.07 -1.14 -1.60 116.25 119.35 3ijw h VAL 187 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ijw h VAL 187 Cb 0.08 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ijw h VAL 187 CO -0.01 0.00 0.15 0.03 0.02 0.00 0.00 177.57 177.76 3ijw h ARG 188 N -0.50 0.33 -0.01 1.57 3.08 -0.99 -2.10 114.38 115.77 3ijw h ARG 188 Ca -0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3ijw h ARG 188 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3ijw h ARG 188 CO 0.08 0.24 -0.26 -1.13 -1.07 0.00 0.00 179.97 177.83 3ijw n SER 189 N -4.48 0.88 -2.13 7.04 3.41 -0.63 -4.94 113.62 112.78 3ijw n SER 189 Ca 0.01 -0.77 -0.19 0.00 -0.26 0.00 0.00 58.87 57.66 3ijw n SER 189 Cb 0.09 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3ijw n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ijw n GLY 190 N 1.35 -0.20 0.01 5.00 0.00 -0.79 -4.80 105.19 105.75 3ijw n GLY 190 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3ijw n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijw n ALA 191 N -1.61 1.83 -2.42 4.61 0.00 -0.65 -4.76 120.51 117.52 3ijw n ALA 191 Ca -0.23 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3ijw n ALA 191 Cb 0.67 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 3ijw n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ijw s GLU 193 N -3.77 3.90 0.32 0.00 0.41 -1.26 -4.81 118.70 113.48 3ijw s GLU 193 Ca 0.30 0.86 -0.27 0.00 -0.41 0.00 0.00 54.97 55.45 3ijw s GLU 193 Cb 0.05 -2.18 -0.10 0.00 -1.78 0.00 0.00 34.13 30.12 3ijw s GLU 193 CO 0.12 -0.24 0.97 -0.51 -0.49 0.00 0.00 175.26 175.11 3ijw s LEU 194 N -4.09 4.37 0.07 1.80 1.43 -1.26 -0.89 118.68 120.11 3ijw s LEU 194 Ca 0.57 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 3ijw s LEU 194 Cb -0.10 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 3ijw s LEU 194 CO 0.32 -0.11 -0.10 0.27 0.23 0.00 0.00 176.35 176.97 3ijw s ILE 195 N -1.53 0.83 -0.24 -0.59 -4.36 0.66 -4.85 121.20 111.12 3ijw s ILE 195 Ca 0.50 -1.35 -0.29 0.00 -0.26 0.00 0.00 60.65 59.24 3ijw s ILE 195 Cb -0.21 -1.02 -0.01 0.00 1.25 0.00 0.00 42.46 42.47 3ijw s ILE 195 CO 0.27 -0.41 1.37 -1.59 0.24 0.00 0.00 174.94 174.82 3ijw s LYS 196 N -2.09 3.98 0.41 0.37 0.00 -1.26 -1.56 119.74 119.58 3ijw s LYS 196 Ca -0.02 1.47 0.04 0.00 0.00 0.00 0.00 55.97 57.46 3ijw s LYS 196 Cb -0.07 -3.89 -0.05 0.00 0.00 0.00 0.00 37.83 33.83 3ijw s LYS 196 CO 0.01 -1.04 0.05 0.14 0.00 0.00 0.00 175.35 174.50 3ijw s VAL 197 N 4.31 1.23 0.21 1.79 -7.23 0.55 -4.98 120.40 116.28 3ijw s VAL 197 Ca 0.60 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 3ijw s VAL 197 Cb -0.20 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.16 3ijw s VAL 197 CO 0.22 0.00 0.46 -0.83 -0.31 0.00 0.00 175.10 174.64 3ijw s GLY 198 N -3.66 0.27 -0.17 2.32 0.00 -1.26 -0.68 107.32 104.14 3ijw s GLY 198 Ca 0.26 -0.62 -0.31 0.00 0.00 0.00 0.00 44.72 44.05 3ijw s GLY 198 CO 0.13 -0.52 1.12 0.00 0.00 0.00 0.00 173.10 173.83 3ijw s ALA 199 N -3.95 -2.00 -0.09 3.20 0.00 -0.53 -3.24 121.76 115.15 3ijw s ALA 199 Ca 0.16 1.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.49 3ijw s ALA 199 Cb -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3ijw s ALA 199 CO 0.02 -0.45 0.53 -1.25 0.00 0.00 0.00 175.76 174.62 3ijw s PRO 200 N -1.83 4.34 0.20 0.00 0.04 -1.26 -0.62 135.00 135.87 3ijw s PRO 200 Ca 0.05 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.67 3ijw s PRO 200 Cb -0.01 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 3ijw s PRO 200 CO -0.04 0.19 0.04 0.96 0.04 0.00 0.00 177.00 178.19 3ijw s ILE 201 N 0.48 0.62 -0.27 0.56 -4.36 0.13 -1.36 121.20 117.01 3ijw s ILE 201 Ca 0.29 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.60 3ijw s ILE 201 Cb -0.16 -2.31 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 3ijw s ILE 201 CO 0.13 -0.30 0.11 -0.63 0.24 0.00 0.00 174.94 174.49 3ijw s ILE 202 N -3.70 4.57 -0.41 8.37 -1.09 -1.26 0.18 121.20 127.87 3ijw s ILE 202 Ca 0.29 -0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 58.45 3ijw s ILE 202 Cb 0.07 -3.19 0.06 0.00 -1.58 0.00 0.00 42.46 37.82 3ijw s ILE 202 CO 0.07 0.26 0.25 -1.61 -1.23 0.00 0.00 174.94 172.69 3ijw s GLU 203 N 1.64 2.73 -0.66 2.79 2.02 0.11 -4.79 118.70 122.55 3ijw s GLU 203 Ca 0.06 -1.31 -0.13 0.00 0.02 0.00 0.00 54.97 53.61 3ijw s GLU 203 Cb -0.16 -3.80 0.02 0.00 0.10 0.00 0.00 34.13 30.29 3ijw s GLU 203 CO 0.06 -0.87 0.59 -1.71 0.02 0.00 0.00 175.26 173.35 3ijw n ASN 204 N 4.98 -4.76 0.00 -0.19 5.15 -1.26 -1.54 115.26 117.65 3ijw n ASN 204 Ca -0.11 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 3ijw n ASN 204 Cb 0.44 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 3ijw n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ijw n GLY 205 N -1.09 1.65 3.76 8.20 0.00 -1.26 -4.98 105.19 111.47 3ijw n GLY 205 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3ijw n GLY 205 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ijw s GLU 206 N 0.00 3.60 0.10 1.61 0.41 -0.59 -5.08 118.70 118.75 3ijw s GLU 206 Ca 0.00 -0.25 -0.31 0.00 -0.41 0.00 0.00 54.97 54.01 3ijw s GLU 206 Cb 0.00 -3.16 -0.07 0.00 -1.78 0.00 0.00 34.13 29.12 3ijw s GLU 206 CO 0.00 0.57 1.31 0.50 -0.49 0.00 0.00 175.26 177.15 3ijw s ARG 207 N -0.45 4.37 -0.03 1.61 3.52 -1.26 0.09 118.95 126.80 3ijw s ARG 207 Ca 0.11 1.95 0.02 0.00 -0.13 0.00 0.00 55.73 57.68 3ijw s ARG 207 Cb -0.12 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3ijw s ARG 207 CO 0.02 -0.35 -0.08 0.08 -0.81 0.00 0.00 175.30 174.16 3ijw s VAL 208 N 1.04 0.68 -0.33 7.11 1.01 0.13 -4.91 120.40 125.12 3ijw s VAL 208 Ca 0.62 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3ijw s VAL 208 Cb -0.34 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.44 3ijw s VAL 208 CO 0.30 0.22 1.07 0.86 0.00 0.00 0.00 175.10 177.55 3ijw s TRP 209 N 0.29 3.12 -0.19 5.22 -0.11 -1.26 -0.69 118.94 125.32 3ijw s TRP 209 Ca -0.04 1.14 -0.07 0.00 1.22 0.00 0.00 56.10 58.34 3ijw s TRP 209 Cb -0.09 -3.73 -0.04 0.00 -1.50 0.00 0.00 33.47 28.11 3ijw s TRP 209 CO 0.00 -0.80 0.07 0.21 -4.62 0.00 0.00 176.95 171.81 3ijw s LYS 210 N 3.69 3.94 -0.08 5.86 2.47 0.20 -4.93 119.74 130.90 3ijw s LYS 210 Ca 0.45 -0.36 -0.16 0.00 -1.56 0.00 0.00 55.97 54.34 3ijw s LYS 210 Cb -0.12 -3.24 -0.05 0.00 -1.46 0.00 0.00 37.83 32.97 3ijw s LYS 210 CO 0.17 0.21 0.41 -1.21 0.16 0.00 0.00 175.35 175.09 3ijw s GLU 211 N 0.54 4.14 0.37 4.03 2.02 -1.26 -1.46 118.70 127.08 3ijw s GLU 211 Ca 0.03 0.36 -0.05 0.00 0.02 0.00 0.00 54.97 55.33 3ijw s GLU 211 Cb -0.13 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.78 3ijw s GLU 211 CO 0.01 0.40 0.56 -0.59 0.02 0.00 0.00 175.26 175.66 3ijw s PHE 212 N -0.12 0.87 -0.04 1.61 -0.12 0.14 -4.98 117.98 115.34 3ijw s PHE 212 Ca 0.23 -1.21 0.04 0.00 -0.05 0.00 0.00 56.93 55.94 3ijw s PHE 212 Cb -0.15 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 3ijw s PHE 212 CO 0.10 -1.27 -0.14 0.08 -0.05 0.00 0.00 175.22 173.94 3ijw s VAL 213 N -2.75 3.08 0.00 -2.49 1.01 -1.26 -0.33 120.40 117.65 3ijw s VAL 213 Ca 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3ijw s VAL 213 Cb -0.02 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3ijw s VAL 213 CO 0.19 0.57 0.00 -0.67 0.00 0.00 0.00 175.10 175.19 3ijw n ASP 214 N 2.22 0.00 -3.67 3.32 -0.08 -0.60 -4.26 116.55 113.48 3ijw n ASP 214 Ca -0.17 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.84 3ijw n ASP 214 Cb 0.52 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 3ijw n ASP 214 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3ijw n ASP 216 N 0.00 1.88 -4.77 1.67 2.03 -0.07 -0.25 116.55 117.04 3ijw n ASP 216 Ca 0.00 -2.95 -0.41 0.00 0.52 0.00 0.00 54.79 51.95 3ijw n ASP 216 Cb 0.00 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 39.70 3ijw n ASP 216 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3ijw s TYR 217 N -1.08 3.02 -0.22 -0.67 2.02 -1.26 -4.70 117.35 114.46 3ijw s TYR 217 Ca 0.29 1.38 -0.03 0.00 -0.37 0.00 0.00 57.07 58.34 3ijw s TYR 217 Cb 0.01 -3.71 0.11 0.00 -0.40 0.00 0.00 41.96 37.97 3ijw s TYR 217 CO -0.16 -1.98 0.26 0.34 -1.57 0.00 0.00 175.55 172.45 3ijw s ASP 218 N -0.41 1.13 0.00 2.29 2.15 -1.26 -5.01 116.67 115.56 3ijw s ASP 218 Ca 0.50 -0.16 0.16 0.00 0.43 0.00 0.00 52.55 53.48 3ijw s ASP 218 Cb -0.40 0.56 0.95 0.00 -0.30 0.00 0.00 42.92 43.74 3ijw s ASP 218 CO 0.53 -0.32 1.56 -1.54 -0.17 0.00 0.00 175.17 175.22 3ijw n SER 219 N 5.33 0.00 -0.17 -0.34 3.41 -1.26 -4.39 113.62 116.20 3ijw n SER 219 Ca -0.05 -1.35 -0.04 0.00 -0.26 0.00 0.00 58.87 57.17 3ijw n SER 219 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 3ijw n SER 219 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ijw n ASP 220 N -0.77 -0.42 -0.20 4.04 2.03 -1.26 -1.43 116.55 118.54 3ijw n ASP 220 Ca 0.12 0.93 0.15 0.00 0.52 0.00 0.00 54.79 56.51 3ijw n ASP 220 Cb 0.05 -0.21 0.74 0.00 -0.72 0.00 0.00 41.12 40.99 3ijw n ASP 220 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ijw n LYS 221 N -3.99 1.20 -0.23 -0.67 4.76 -1.26 -4.25 118.16 113.71 3ijw n LYS 221 Ca 0.01 -0.39 -0.05 0.00 -2.87 0.00 0.00 58.31 55.00 3ijw n LYS 221 Cb 0.10 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.85 3ijw n LYS 221 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 3ijw h PHE 222 N 0.96 0.81 -0.18 2.13 -1.00 -1.56 -0.61 116.94 117.49 3ijw h PHE 222 Ca 0.00 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.82 3ijw h PHE 222 Cb 0.24 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3ijw h PHE 222 CO 0.00 0.50 0.05 0.28 -1.61 0.00 0.00 178.31 177.53 3ijw h VAL 223 N 0.86 0.94 -0.91 -0.55 2.07 -1.76 -0.76 116.25 116.15 3ijw h VAL 223 Ca 0.24 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3ijw h VAL 223 Cb -0.07 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3ijw h VAL 223 CO -0.06 0.02 0.54 -0.08 0.02 0.00 0.00 177.57 178.01 3ijw h GLU 224 N 0.13 1.23 -0.85 1.57 4.81 -1.75 -1.96 114.58 117.77 3ijw h GLU 224 Ca 0.08 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3ijw h GLU 224 Cb 0.06 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 3ijw h GLU 224 CO -0.09 0.87 0.41 0.82 -0.73 0.00 0.00 179.01 180.29 3ijw h ILE 225 N 1.25 1.26 -0.47 2.32 2.04 -0.65 -2.60 117.51 120.67 3ijw h ILE 225 Ca 0.32 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3ijw h ILE 225 Cb -0.04 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 3ijw h ILE 225 CO -0.06 0.31 -0.09 1.23 0.00 0.00 0.00 178.15 179.54 3ijw h GLY 226 N 1.20 0.91 0.99 5.37 0.00 -0.67 0.41 103.07 111.28 3ijw h GLY 226 Ca 0.29 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3ijw h GLY 226 CO -0.04 0.63 -0.25 -2.08 0.00 0.00 0.00 176.54 174.80 3ijw h VAL 227 N 0.76 0.48 -0.93 4.60 2.07 -1.11 0.60 116.25 122.72 3ijw h VAL 227 Ca 0.13 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3ijw h VAL 227 Cb 0.59 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3ijw h VAL 227 CO 0.04 0.01 0.60 -0.08 0.02 0.00 0.00 177.57 178.15 3ijw h GLU 228 N -0.74 1.24 -0.52 1.57 4.81 -1.35 -2.76 114.58 116.84 3ijw h GLU 228 Ca -0.07 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3ijw h GLU 228 Cb 0.56 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3ijw h GLU 228 CO 0.12 0.84 0.27 0.35 -0.73 0.00 0.00 179.01 179.85 3ijw h PHE 229 N 1.27 0.49 0.00 0.92 3.57 0.23 -2.54 116.94 120.88 3ijw h PHE 229 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3ijw h PHE 229 Cb -0.11 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3ijw h PHE 229 CO -0.00 0.24 0.00 0.39 -2.23 0.00 0.00 178.31 176.71 3ijw n GLU 230 N -4.87 0.10 0.30 1.11 1.02 0.17 -2.32 120.64 116.13 3ijw n GLU 230 Ca 0.05 0.38 0.19 0.00 -0.02 0.00 0.00 57.16 57.75 3ijw n GLU 230 Cb 0.13 -1.70 0.85 0.00 -0.02 0.00 0.00 31.44 30.71 3ijw n GLU 230 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3ijw h GLN 231 N 0.00 0.00 -0.00 3.49 4.20 -1.45 -0.70 115.11 120.65 3ijw h GLN 231 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ijw h GLN 231 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3ijw h GLN 231 CO 0.00 0.00 -0.01 1.63 -0.67 0.00 0.00 178.83 179.78 3ijw n LYS 232 N -3.08 0.91 -2.36 1.46 5.02 -0.98 -4.97 118.16 114.16 3ijw n LYS 232 Ca -0.01 -0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.03 3ijw n LYS 232 Cb 0.23 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 3ijw n LYS 232 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijw n GLY 233 N 1.09 -0.36 1.36 0.72 0.00 -0.27 -4.92 105.19 102.81 3ijw n GLY 233 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3ijw n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ijw n THR 234 N -4.03 2.63 -4.23 2.61 -2.24 -1.26 -4.94 114.28 102.82 3ijw n THR 234 Ca -0.21 -2.25 -0.33 0.00 -2.27 0.00 0.00 64.05 58.99 3ijw n THR 234 Cb 0.66 -0.33 -0.16 0.00 -2.10 0.00 0.00 70.33 68.40 3ijw n THR 234 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ijw s VAL 235 N -3.11 2.25 0.52 2.28 1.01 -1.26 -4.63 120.40 117.46 3ijw s VAL 235 Ca 0.47 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3ijw s VAL 235 Cb 0.40 -1.95 0.12 0.00 0.00 0.00 0.00 36.38 34.96 3ijw s VAL 235 CO 0.06 0.53 0.67 0.41 0.00 0.00 0.00 175.10 176.76 3ijw n THR 236 N 4.49 0.00 0.00 3.92 -1.04 -0.42 -4.89 114.28 116.34 3ijw n THR 236 Ca -0.20 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 3ijw n THR 236 Cb 0.50 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 3ijw n THR 236 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ijw n GLY 238 N 0.24 4.02 3.65 3.41 0.00 -1.03 -1.32 105.19 114.16 3ijw n GLY 238 Ca 0.08 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 3ijw n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijw s LYS 239 N -2.73 2.80 -0.35 1.61 1.02 -1.26 0.03 119.74 120.86 3ijw s LYS 239 Ca 0.00 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.42 3ijw s LYS 239 Cb 0.00 -2.66 0.08 0.00 -0.52 0.00 0.00 37.83 34.73 3ijw s LYS 239 CO 0.00 0.65 0.10 0.42 -0.92 0.00 0.00 175.35 175.60 3ijw s ILE 240 N -0.95 3.10 0.00 2.17 1.01 -0.81 -4.81 121.20 120.91 3ijw s ILE 240 Ca 0.16 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 59.07 3ijw s ILE 240 Cb -0.11 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.39 3ijw s ILE 240 CO 0.05 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.21 3ijw n GLY 241 N 4.59 3.66 0.22 6.18 0.00 -1.26 -1.33 105.19 117.26 3ijw n GLY 241 Ca -0.07 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.02 3ijw n GLY 241 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ijw h ASN 242 N 0.00 0.00 -3.28 1.61 2.35 -0.97 -3.47 115.58 111.82 3ijw h ASN 242 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3ijw h ASN 242 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 3ijw h ASN 242 CO 0.00 0.00 0.64 0.00 -1.65 0.00 0.00 177.43 176.42 3ijw s ALA 243 N -3.33 3.51 -0.18 -0.83 0.00 -0.44 -4.89 121.76 115.59 3ijw s ALA 243 Ca 0.06 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 3ijw s ALA 243 Cb 0.07 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 3ijw s ALA 243 CO 0.61 -0.51 1.12 0.15 0.00 0.00 0.00 175.76 177.13 3ijw s LYS 244 N 0.31 4.27 0.29 0.00 -0.14 -1.26 -1.93 119.74 121.27 3ijw s LYS 244 Ca 0.58 1.49 0.12 0.00 -1.36 0.00 0.00 55.97 56.79 3ijw s LYS 244 Cb -0.35 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.08 3ijw s LYS 244 CO 0.35 -0.61 -0.18 0.00 -0.76 0.00 0.00 175.35 174.14 3ijw s ARG 246 N -3.53 -0.01 0.15 0.00 0.52 -0.61 -2.47 118.95 113.00 3ijw s ARG 246 Ca 0.30 0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.78 3ijw s ARG 246 Cb -0.04 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.21 3ijw s ARG 246 CO 0.15 -0.13 -0.23 -1.17 0.02 0.00 0.00 175.30 173.94 3ijw s LEU 247 N 0.86 2.37 -0.11 2.53 2.96 -0.44 -0.54 118.68 126.31 3ijw s LEU 247 Ca -0.07 -0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 3ijw s LEU 247 Cb -0.10 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 3ijw s LEU 247 CO -0.03 0.08 0.16 -0.54 -1.32 0.00 0.00 176.35 174.71 3ijw s LYS 249 N -2.35 3.50 0.15 1.98 -0.14 -1.26 -1.30 119.74 120.32 3ijw s LYS 249 Ca 0.14 -0.09 -0.08 0.00 -1.36 0.00 0.00 55.97 54.58 3ijw s LYS 249 Cb -0.08 -3.20 -0.01 0.00 -1.68 0.00 0.00 37.83 32.85 3ijw s LYS 249 CO 0.07 0.76 1.44 0.37 -0.76 0.00 0.00 175.35 177.23 3ijw h GLN 250 N 5.00 0.75 -0.65 1.68 4.15 -1.19 -3.13 115.11 121.73 3ijw h GLN 250 Ca -0.54 -0.48 -0.03 0.00 0.77 0.00 0.00 58.65 58.36 3ijw h GLN 250 Cb 1.23 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.95 3ijw h GLN 250 CO 0.59 1.11 0.27 0.00 -1.93 0.00 0.00 178.83 178.87 3ijw h ARG 251 N 0.57 0.94 -0.10 1.69 3.08 -1.89 -0.86 114.38 117.81 3ijw h ARG 251 Ca 0.01 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3ijw h ARG 251 Cb 1.15 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 3ijw h ARG 251 CO 0.12 0.76 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.24 3ijw h ASP 252 N 0.93 -0.28 0.44 7.04 3.45 -1.92 0.12 116.42 126.20 3ijw h ASP 252 Ca 0.22 0.06 -0.27 0.00 0.43 0.00 0.00 57.03 57.47 3ijw h ASP 252 Cb 0.16 0.14 0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3ijw h ASP 252 CO -0.02 -0.12 -1.19 -0.29 -1.57 0.00 0.00 179.24 176.04 3ijw h ILE 253 N -0.11 1.42 -0.36 0.35 6.09 -1.51 -1.61 117.51 121.77 3ijw h ILE 253 Ca 0.07 -2.77 -0.01 0.00 -1.37 0.00 0.00 64.86 60.79 3ijw h ILE 253 Cb 0.21 2.78 -0.02 0.00 0.47 0.00 0.00 36.82 40.26 3ijw h ILE 253 CO -0.16 0.82 0.20 0.58 -3.07 0.00 0.00 178.15 176.51 3ijw h VAL 254 N 0.15 1.14 -0.31 2.19 2.07 -1.08 0.85 116.25 121.27 3ijw h VAL 254 Ca -0.14 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 3ijw h VAL 254 Cb 1.88 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3ijw h VAL 254 CO 0.21 0.15 -0.03 0.44 0.02 0.00 0.00 177.57 178.35 3ijw h ASP 255 N 0.46 0.57 -0.33 0.57 3.32 -0.72 -1.02 116.42 119.27 3ijw h ASP 255 Ca 0.13 -0.33 0.06 0.00 0.02 0.00 0.00 57.03 56.91 3ijw h ASP 255 Cb 0.06 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 3ijw h ASP 255 CO -0.02 0.77 -0.05 0.15 -1.72 0.00 0.00 179.24 178.37 3ijw h PHE 256 N 0.36 -0.10 -0.91 4.55 3.57 -1.26 -2.60 116.94 120.55 3ijw h PHE 256 Ca 0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ijw h PHE 256 Cb 0.49 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 3ijw h PHE 256 CO 0.04 -0.11 0.59 0.78 -2.23 0.00 0.00 178.31 177.39 3ijw h GLY 257 N 0.04 1.30 0.98 2.40 0.00 -0.52 -0.30 103.07 106.97 3ijw h GLY 257 Ca 0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ijw h GLY 257 CO -0.31 0.42 -0.10 -0.84 0.00 0.00 0.00 176.54 175.72 3ijw h THR 258 N 1.18 0.79 -0.73 4.70 2.02 -1.03 -0.76 112.91 119.08 3ijw h THR 258 Ca 0.35 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.53 3ijw h THR 258 Cb -0.07 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3ijw h THR 258 CO -0.10 0.00 0.48 -0.33 0.37 0.00 0.00 175.52 175.95 3ijw h GLU 259 N -0.27 0.96 -0.06 6.66 3.07 -1.26 -1.95 114.58 121.73 3ijw h GLU 259 Ca -0.02 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3ijw h GLU 259 Cb 0.21 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3ijw h GLU 259 CO 0.03 0.64 -0.08 2.35 -1.40 0.00 0.00 179.01 180.54 3ijw h TRP 260 N 0.99 -0.21 -0.66 4.33 7.01 -0.88 -2.12 115.95 124.41 3ijw h TRP 260 Ca 0.27 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.28 3ijw h TRP 260 Cb -0.11 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 3ijw h TRP 260 CO -0.02 -0.13 0.43 0.74 -2.79 0.00 0.00 178.44 176.66 3ijw h PHE 261 N -0.12 0.84 -0.49 2.65 0.04 -0.94 -2.57 116.94 116.36 3ijw h PHE 261 Ca 0.05 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 3ijw h PHE 261 Cb 0.19 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3ijw h PHE 261 CO -0.18 0.54 -0.15 0.00 -0.60 0.00 0.00 178.31 177.92 3ijw h ARG 262 N 0.90 0.94 0.00 1.51 3.08 -0.81 -1.72 114.38 118.28 3ijw h ARG 262 Ca 0.24 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ijw h ARG 262 Cb -0.08 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3ijw h ARG 262 CO -0.05 1.02 -0.11 0.87 -1.07 0.00 0.00 179.97 180.63 3ijw h LYS 263 N 0.83 0.00 0.00 0.04 1.57 -1.12 -3.52 116.57 114.37 3ijw h LYS 263 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ijw h LYS 263 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3ijw h LYS 263 CO 0.05 0.11 0.00 1.63 -0.57 0.00 0.00 179.45 180.67