#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhw h TRP 7 N 0.00 1.20 -0.78 2.03 4.06 -2.06 -3.03 115.95 117.36 3dhw h TRP 7 Ca 0.00 -0.17 -0.05 0.00 2.06 0.00 0.00 58.89 60.73 3dhw h TRP 7 Cb 0.00 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.80 3dhw h TRP 7 CO 0.00 1.00 0.29 -0.07 -3.56 0.00 0.00 178.44 176.11 3dhw h LEU 8 N 1.04 1.10 -0.81 -4.49 4.07 -2.05 -3.32 115.31 110.85 3dhw h LEU 8 Ca 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3dhw h LEU 8 Cb 0.46 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 3dhw h LEU 8 CO 0.02 0.99 0.48 -0.07 -1.08 0.00 0.00 178.44 178.77 3dhw h LEU 9 N 1.15 0.98 -0.59 1.67 3.38 -1.96 0.33 115.31 120.27 3dhw h LEU 9 Ca 0.26 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3dhw h LEU 9 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dhw h LEU 9 CO -0.02 0.77 0.01 0.58 0.09 0.00 0.00 178.44 179.87 3dhw h VAL 10 N 1.11 1.26 -0.34 1.22 2.07 -1.68 -0.84 116.25 119.05 3dhw h VAL 10 Ca 0.29 -1.12 -0.16 0.00 0.82 0.00 0.00 66.70 66.53 3dhw h VAL 10 Cb -0.02 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3dhw h VAL 10 CO -0.05 0.41 -0.40 0.03 0.02 0.00 0.00 177.57 177.57 3dhw h ARG 11 N 0.93 0.84 -0.97 1.57 3.08 -1.52 -2.67 114.38 115.64 3dhw h ARG 11 Ca 0.17 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3dhw h ARG 11 Cb 0.54 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 3dhw h ARG 11 CO 0.03 1.08 0.60 0.78 -1.07 0.00 0.00 179.97 181.39 3dhw h GLY 12 N 0.85 1.39 1.01 0.04 0.00 -0.04 -1.53 103.07 104.78 3dhw h GLY 12 Ca 0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3dhw h GLY 12 CO 0.09 0.55 0.30 -2.08 0.00 0.00 0.00 176.54 175.40 3dhw h VAL 13 N 1.33 1.23 -0.31 4.60 2.07 -1.10 -2.00 116.25 122.06 3dhw h VAL 13 Ca 0.35 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3dhw h VAL 13 Cb -0.08 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3dhw h VAL 13 CO -0.07 0.27 0.20 -0.25 0.02 0.00 0.00 177.57 177.75 3dhw h TRP 14 N 0.92 0.39 -0.98 1.57 2.91 -1.18 -2.07 115.95 117.50 3dhw h TRP 14 Ca 0.22 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3dhw h TRP 14 Cb 0.15 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 28.62 3dhw h TRP 14 CO 0.01 0.25 0.63 0.93 -1.03 0.00 0.00 178.44 179.23 3dhw h GLU 15 N 0.41 1.30 -0.68 2.65 5.08 -1.06 -1.95 114.58 120.34 3dhw h GLU 15 Ca 0.11 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3dhw h GLU 15 Cb -0.04 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 28.90 3dhw h GLU 15 CO -0.02 0.88 0.25 1.15 -1.00 0.00 0.00 179.01 180.27 3dhw h THR 16 N 1.33 1.25 -0.75 1.13 2.02 -0.99 -2.61 112.91 114.29 3dhw h THR 16 Ca 0.36 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3dhw h THR 16 Cb -0.12 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 3dhw h THR 16 CO -0.07 0.31 0.28 -0.07 0.37 0.00 0.00 175.52 176.34 3dhw h LEU 17 N 0.98 1.05 -2.25 2.58 3.38 -1.08 -2.22 115.31 117.74 3dhw h LEU 17 Ca 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dhw h LEU 17 Cb 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3dhw h LEU 17 CO -0.01 0.95 0.01 0.00 0.09 0.00 0.00 178.44 179.48 3dhw h ALA 18 N 1.19 1.76 -0.45 1.53 0.00 -1.11 -0.89 119.26 121.30 3dhw h ALA 18 Ca 0.25 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3dhw h ALA 18 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dhw h ALA 18 CO -0.02 -0.02 -0.26 0.52 0.00 0.00 0.00 179.25 179.47 3dhw h MET 19 N 0.00 0.97 -0.65 0.00 2.86 -1.03 -2.21 114.93 114.86 3dhw h MET 19 Ca 0.01 -0.44 -0.08 0.00 -2.06 0.00 0.00 59.70 57.12 3dhw h MET 19 Cb 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3dhw h MET 19 CO -0.00 1.11 0.08 1.15 1.06 0.00 0.00 176.91 180.31 3dhw h THR 20 N 0.81 1.26 -0.06 2.22 2.02 -1.33 -1.76 112.91 116.07 3dhw h THR 20 Ca 0.09 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3dhw h THR 20 Cb 0.84 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3dhw h THR 20 CO 0.07 0.40 0.03 0.15 0.37 0.00 0.00 175.52 176.54 3dhw h PHE 21 N 1.02 0.05 -0.51 3.16 3.04 -1.11 -0.46 116.94 122.12 3dhw h PHE 21 Ca 0.20 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 3dhw h PHE 21 Cb 0.47 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 3dhw h PHE 21 CO 0.03 0.03 0.17 0.28 -2.02 0.00 0.00 178.31 176.81 3dhw h VAL 22 N 0.06 1.20 -0.99 1.41 2.07 -1.41 -2.82 116.25 115.78 3dhw h VAL 22 Ca 0.02 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3dhw h VAL 22 Cb 0.00 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3dhw h VAL 22 CO -0.02 0.26 0.66 0.28 0.02 0.00 0.00 177.57 178.77 3dhw h SER 23 N 0.74 1.14 -0.89 0.57 0.02 -0.19 -1.74 113.55 113.20 3dhw h SER 23 Ca 0.17 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3dhw h SER 23 Cb 0.20 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3dhw h SER 23 CO -0.01 0.83 0.59 1.23 -1.14 0.00 0.00 176.83 178.32 3dhw h GLY 24 N 1.35 1.25 0.96 -3.77 0.00 -0.99 1.74 103.07 103.61 3dhw h GLY 24 Ca 0.36 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3dhw h GLY 24 CO -0.08 0.45 -0.15 0.74 0.00 0.00 0.00 176.54 177.50 3dhw h PHE 25 N 1.19 -0.39 -0.01 5.60 0.05 -1.46 -3.11 116.94 118.82 3dhw h PHE 25 Ca 0.33 -0.01 -0.11 0.00 3.82 0.00 0.00 57.97 62.00 3dhw h PHE 25 Cb -0.12 0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.94 3dhw h PHE 25 CO -0.01 -0.21 -0.52 0.27 -0.18 0.00 0.00 178.31 177.66 3dhw h PHE 26 N -0.46 0.02 -0.89 -0.55 -5.15 -1.36 -0.49 116.94 108.06 3dhw h PHE 26 Ca -0.04 -0.01 0.01 0.00 -0.20 0.00 0.00 57.97 57.73 3dhw h PHE 26 Cb 0.35 -0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.47 3dhw h PHE 26 CO -0.04 0.53 0.59 0.78 -2.00 0.00 0.00 178.31 178.17 3dhw h GLY 27 N 1.55 1.25 0.00 6.09 0.00 0.27 -3.31 103.07 108.92 3dhw h GLY 27 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3dhw h GLY 27 CO 0.07 0.46 -0.86 0.69 0.00 0.00 0.00 176.54 176.90 3dhw n PHE 28 N -4.47 0.00 -0.18 5.60 3.01 -1.19 -4.17 117.46 116.06 3dhw n PHE 28 Ca 0.10 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.45 3dhw n PHE 28 Cb 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.49 3dhw n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3dhw h VAL 29 N 0.00 1.27 0.00 -4.37 2.07 -1.25 -2.67 116.25 111.30 3dhw h VAL 29 Ca 0.00 -1.28 -0.21 0.00 0.82 0.00 0.00 66.70 66.03 3dhw h VAL 29 Cb 0.00 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3dhw h VAL 29 CO 0.00 0.45 -2.17 2.30 0.02 0.00 0.00 177.57 178.17 3dhw n ILE 30 N -4.16 0.82 -0.02 4.57 -5.35 -1.25 -4.22 119.36 109.76 3dhw n ILE 30 Ca 0.01 -0.71 -0.13 0.00 -0.27 0.00 0.00 62.75 61.66 3dhw n ILE 30 Cb 0.41 -0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 37.92 3dhw n ILE 30 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3dhw h GLY 31 N 3.98 0.02 -0.01 3.28 0.00 -1.65 -3.32 103.07 105.37 3dhw h GLY 31 Ca -0.31 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.10 3dhw h GLY 31 CO 0.02 0.02 -0.12 1.41 0.00 0.00 0.00 176.54 177.86 3dhw h LEU 32 N -0.47 -0.47 -1.98 3.11 3.38 -1.70 0.14 115.31 117.33 3dhw h LEU 32 Ca 0.00 0.15 0.32 0.00 0.09 0.00 0.00 57.88 58.44 3dhw h LEU 32 Cb 0.51 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3dhw h LEU 32 CO 0.00 -0.17 0.82 -0.65 0.09 0.00 0.00 178.44 178.54 3dhw h PRO 33 N 0.00 0.00 -0.66 1.13 0.11 -1.73 3.53 132.00 134.38 3dhw h PRO 33 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3dhw h PRO 33 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3dhw h PRO 33 CO -0.52 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 177.55 3dhw n VAL 34 N -4.14 0.88 1.23 3.15 0.31 -0.01 -2.88 118.33 116.86 3dhw n VAL 34 Ca 0.24 -0.89 0.14 0.00 -0.01 0.00 0.00 64.34 63.82 3dhw n VAL 34 Cb 1.19 0.47 0.59 0.00 -0.91 0.00 0.00 33.84 35.17 3dhw n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dhw n GLY 35 N 1.56 -1.21 0.19 2.92 0.00 1.17 -2.64 105.19 107.18 3dhw n GLY 35 Ca 0.22 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.18 3dhw n GLY 35 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dhw h VAL 36 N 0.21 0.00 -0.48 1.61 2.07 -1.36 -2.34 116.25 115.96 3dhw h VAL 36 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dhw h VAL 36 Cb 0.41 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3dhw h VAL 36 CO 0.00 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.82 3dhw h LEU 37 N 0.00 0.55 -0.99 2.57 3.38 -1.75 0.10 115.31 119.18 3dhw h LEU 37 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dhw h LEU 37 Cb 0.34 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3dhw h LEU 37 CO 0.00 0.41 0.63 0.25 0.09 0.00 0.00 178.44 179.82 3dhw h LEU 38 N 0.65 1.15 -0.83 1.67 5.85 -1.68 -0.62 115.31 121.51 3dhw h LEU 38 Ca 0.17 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3dhw h LEU 38 Cb -0.05 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 3dhw h LEU 38 CO -0.04 0.85 0.34 1.88 -0.34 0.00 0.00 178.44 181.13 3dhw h TYR 39 N 1.35 1.22 0.00 1.25 0.05 -1.03 -3.18 116.97 116.63 3dhw h TYR 39 Ca 0.36 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.05 3dhw h TYR 39 Cb -0.12 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.25 3dhw h TYR 39 CO 0.00 0.91 0.00 0.28 -1.05 0.00 0.00 178.16 178.30 3dhw n VAL 40 N -4.28 1.50 0.32 -2.88 0.31 -0.25 -3.66 118.33 109.40 3dhw n VAL 40 Ca 0.07 0.38 0.20 0.00 -0.01 0.00 0.00 64.34 64.98 3dhw n VAL 40 Cb 0.18 -1.35 1.09 0.00 -0.91 0.00 0.00 33.84 32.85 3dhw n VAL 40 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3dhw h THR 41 N 0.00 0.23 -6.30 2.52 1.35 -1.51 -3.39 112.91 105.81 3dhw h THR 41 Ca 0.00 -0.00 -0.45 0.00 -0.55 0.00 0.00 66.41 65.40 3dhw h THR 41 Cb 0.02 1.00 0.03 0.00 -1.73 0.00 0.00 68.15 67.48 3dhw h THR 41 CO 0.00 0.00 -0.91 -2.11 -0.25 0.00 0.00 175.52 172.25 3dhw n ARG 42 N -3.41 -2.45 -0.90 4.72 -4.01 -1.24 -4.89 116.66 104.47 3dhw n ARG 42 Ca -0.03 0.46 0.05 0.00 -1.04 0.00 0.00 57.85 57.29 3dhw n ARG 42 Cb 0.08 -4.41 0.09 0.00 -3.04 0.00 0.00 32.46 25.17 3dhw n ARG 42 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 3dhw n PRO 43 N -4.27 0.62 0.00 2.89 -0.04 -1.26 -5.02 135.00 127.91 3dhw n PRO 43 Ca -0.20 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 3dhw n PRO 43 Cb 0.64 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 3dhw n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dhw n GLY 44 N -0.29 0.90 3.95 0.55 0.00 -1.26 -4.98 105.19 104.06 3dhw n GLY 44 Ca 0.10 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3dhw n GLY 44 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhw n GLN 45 N 0.00 -5.27 -1.78 1.61 1.13 -1.26 -4.28 117.38 107.53 3dhw n GLN 45 Ca 0.00 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 3dhw n GLN 45 Cb 0.00 -5.45 0.00 0.00 0.11 0.00 0.00 30.24 24.90 3dhw n GLN 45 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3dhw n ILE 46 N -4.66 -4.37 -2.46 5.09 5.41 -1.26 -4.70 119.36 112.42 3dhw n ILE 46 Ca 0.05 2.03 0.00 0.00 1.00 0.00 0.00 62.75 65.83 3dhw n ILE 46 Cb 0.52 -2.64 0.00 0.00 -0.71 0.00 0.00 39.64 36.80 3dhw n ILE 46 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3dhw n ILE 47 N 0.25 0.00 -0.48 1.39 -5.35 -1.26 -4.82 119.36 109.09 3dhw n ILE 47 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3dhw n ILE 47 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3dhw n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dhw n ALA 48 N 1.89 -0.07 -2.39 -1.28 0.00 -1.26 -4.63 120.51 112.78 3dhw n ALA 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3dhw n ALA 48 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 3dhw n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dhw s ASN 49 N -1.90 6.33 -2.16 0.00 4.22 -1.26 -4.52 114.94 115.66 3dhw s ASN 49 Ca 0.00 0.81 0.00 0.00 -2.14 0.00 0.00 52.86 51.53 3dhw s ASN 49 Cb 0.00 -2.19 0.00 0.00 1.28 0.00 0.00 41.25 40.34 3dhw s ASN 49 CO 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 177.10 174.63 3dhw n ALA 50 N -1.82 -0.36 -3.59 3.54 0.00 -1.26 -4.45 120.51 112.56 3dhw n ALA 50 Ca -0.01 0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 3dhw n ALA 50 Cb 0.55 -2.08 0.08 0.00 0.00 0.00 0.00 19.45 18.00 3dhw n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dhw n LYS 51 N -2.48 -7.83 -0.37 0.00 5.02 -1.26 -4.90 118.16 106.33 3dhw n LYS 51 Ca -0.21 0.83 -0.02 0.00 -2.02 0.00 0.00 58.31 56.88 3dhw n LYS 51 Cb 0.69 -5.88 0.11 0.00 -0.02 0.00 0.00 35.03 29.93 3dhw n LYS 51 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3dhw h LEU 52 N -2.63 1.15 -1.36 -0.35 3.38 -1.86 -2.20 115.31 111.45 3dhw h LEU 52 Ca -0.57 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3dhw h LEU 52 Cb 1.37 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3dhw h LEU 52 CO 0.56 0.84 0.48 0.22 0.09 0.00 0.00 178.44 180.63 3dhw h TYR 53 N 1.35 0.00 -0.16 1.13 5.03 -1.91 -2.92 116.97 119.50 3dhw h TYR 53 Ca 0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.68 3dhw h TYR 53 Cb -0.14 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 3dhw h TYR 53 CO 0.00 0.00 0.10 0.00 -1.32 0.00 0.00 178.16 176.94 3dhw h ARG 54 N 0.00 0.19 0.00 1.82 3.08 -1.77 -3.33 114.38 114.37 3dhw h ARG 54 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dhw h ARG 54 Cb 0.96 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3dhw h ARG 54 CO 0.00 0.13 0.00 0.25 -1.07 0.00 0.00 179.97 179.28 3dhw n THR 55 N -4.99 0.13 -0.12 2.04 -2.24 -1.12 -4.23 114.28 103.75 3dhw n THR 55 Ca -0.04 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 3dhw n THR 55 Cb 0.03 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3dhw n THR 55 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3dhw h VAL 56 N 0.00 1.29 -0.35 2.28 2.07 -1.62 -1.04 116.25 118.87 3dhw h VAL 56 Ca 0.00 -1.33 -0.17 0.00 0.82 0.00 0.00 66.70 66.02 3dhw h VAL 56 Cb 0.06 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3dhw h VAL 56 CO 0.00 0.44 -0.43 0.77 0.02 0.00 0.00 177.57 178.36 3dhw h SER 57 N 0.53 0.99 -0.53 0.57 4.64 -1.82 -2.93 113.55 115.00 3dhw h SER 57 Ca 0.07 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3dhw h SER 57 Cb 0.75 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3dhw h SER 57 CO 0.06 1.28 0.30 0.00 -0.87 0.00 0.00 176.83 177.59 3dhw h ALA 58 N 0.74 0.68 -0.58 5.18 0.00 -1.72 -0.15 119.26 123.41 3dhw h ALA 58 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3dhw h ALA 58 Cb 1.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3dhw h ALA 58 CO 0.10 0.19 -0.02 -0.84 0.00 0.00 0.00 179.25 178.68 3dhw h ILE 59 N 0.71 1.27 -0.74 0.00 3.07 -1.27 -0.77 117.51 119.77 3dhw h ILE 59 Ca 0.19 -1.17 -0.01 0.00 1.55 0.00 0.00 64.86 65.42 3dhw h ILE 59 Cb 0.03 0.86 -0.04 0.00 -0.27 0.00 0.00 36.82 37.41 3dhw h ILE 59 CO -0.03 0.42 0.44 0.58 -1.05 0.00 0.00 178.15 178.51 3dhw h VAL 60 N 0.92 1.21 -0.89 0.16 2.07 -1.33 -2.42 116.25 115.99 3dhw h VAL 60 Ca 0.16 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3dhw h VAL 60 Cb 0.58 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3dhw h VAL 60 CO 0.03 0.22 0.55 -1.13 0.02 0.00 0.00 177.57 177.26 3dhw h ASN 61 N 1.01 1.05 -0.59 0.57 -0.73 -0.30 -1.75 115.58 114.84 3dhw h ASN 61 Ca 0.26 -0.06 -0.11 0.00 1.87 0.00 0.00 56.30 58.27 3dhw h ASN 61 Cb -0.03 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 3dhw h ASN 61 CO -0.05 0.80 -0.04 0.16 -0.37 0.00 0.00 177.43 177.93 3dhw h ILE 62 N 1.21 1.27 -0.87 2.57 3.07 -0.70 0.39 117.51 124.44 3dhw h ILE 62 Ca 0.32 -1.20 -0.02 0.00 1.55 0.00 0.00 64.86 65.50 3dhw h ILE 62 Cb -0.07 0.85 -0.04 0.00 -0.27 0.00 0.00 36.82 37.29 3dhw h ILE 62 CO -0.06 0.43 0.45 -0.26 -1.05 0.00 0.00 178.15 177.66 3dhw h PHE 63 N 0.96 1.23 -0.87 0.16 0.05 -1.35 -0.72 116.94 116.40 3dhw h PHE 63 Ca 0.16 -0.05 -0.02 0.00 3.82 0.00 0.00 57.97 61.88 3dhw h PHE 63 Cb 0.61 -0.39 -0.04 0.00 2.00 0.00 0.00 35.95 38.13 3dhw h PHE 63 CO 0.04 0.87 0.45 0.00 -0.18 0.00 0.00 178.31 179.49 3dhw h ARG 64 N 1.23 1.22 -0.91 1.51 3.08 -0.70 -2.13 114.38 117.69 3dhw h ARG 64 Ca 0.30 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3dhw h ARG 64 Cb 0.07 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 3dhw h ARG 64 CO -0.04 0.92 0.61 1.03 -1.07 0.00 0.00 179.97 181.41 3dhw h SER 65 N 1.22 1.05 -2.85 7.04 0.87 0.64 -3.44 113.55 118.08 3dhw h SER 65 Ca 0.30 -0.03 -0.53 0.00 -1.23 0.00 0.00 61.79 60.31 3dhw h SER 65 Cb 0.07 -0.26 0.04 0.00 -0.44 0.00 0.00 62.40 61.81 3dhw h SER 65 CO -0.04 0.76 0.86 -0.63 -0.53 0.00 0.00 176.83 177.24 3dhw s ILE 66 N -6.02 2.73 -0.34 2.23 1.01 -0.36 -4.97 121.20 115.47 3dhw s ILE 66 Ca -0.12 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 3dhw s ILE 66 Cb 0.18 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3dhw s ILE 66 CO 0.81 0.04 1.85 -2.84 0.00 0.00 0.00 174.94 174.80 3dhw s PRO 67 N 1.14 3.25 0.00 2.79 0.02 -1.26 -4.92 135.00 136.01 3dhw s PRO 67 Ca 0.69 1.43 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3dhw s PRO 67 Cb -0.43 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 29.86 3dhw s PRO 67 CO 0.31 -1.96 0.00 1.19 -0.33 0.00 0.00 177.00 176.21 3dhw n PHE 68 N 10.66 0.00 0.00 6.54 3.01 -1.26 -1.72 117.46 134.69 3dhw n PHE 68 Ca 0.24 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.58 3dhw n PHE 68 Cb 0.47 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 3dhw n PHE 68 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3dhw h ILE 69 N 0.00 1.05 -0.24 4.37 1.08 -1.96 -1.38 117.51 120.43 3dhw h ILE 69 Ca 0.00 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3dhw h ILE 69 Cb 0.00 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3dhw h ILE 69 CO 0.00 0.04 0.09 -0.29 -0.69 0.00 0.00 178.15 177.30 3dhw h ILE 70 N 0.07 1.10 -0.03 -0.67 2.10 -1.76 -1.98 117.51 116.35 3dhw h ILE 70 Ca 0.03 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.64 3dhw h ILE 70 Cb 0.03 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 36.58 3dhw h ILE 70 CO -0.01 0.12 0.02 0.25 -1.08 0.00 0.00 178.15 177.46 3dhw h LEU 71 N 0.34 0.04 -0.70 2.19 5.85 -0.81 -2.94 115.31 119.28 3dhw h LEU 71 Ca 0.09 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3dhw h LEU 71 Cb 0.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3dhw h LEU 71 CO -0.01 0.04 0.14 -0.07 -0.34 0.00 0.00 178.44 178.20 3dhw h LEU 72 N 0.03 1.08 -0.01 2.25 3.38 -0.95 -0.30 115.31 120.80 3dhw h LEU 72 Ca 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dhw h LEU 72 Cb 0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3dhw h LEU 72 CO -0.00 1.05 0.00 0.58 0.09 0.00 0.00 178.44 180.17 3dhw h VAL 73 N 1.07 1.02 -0.79 1.22 2.07 -1.43 -1.75 116.25 117.65 3dhw h VAL 73 Ca 0.22 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3dhw h VAL 73 Cb 0.41 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3dhw h VAL 73 CO 0.01 0.01 0.47 -0.25 0.02 0.00 0.00 177.57 177.83 3dhw h TRP 74 N -0.01 1.06 0.00 1.57 7.01 -1.49 -2.67 115.95 121.42 3dhw h TRP 74 Ca 0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3dhw h TRP 74 Cb 0.02 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 26.73 3dhw h TRP 74 CO -0.07 0.72 -0.00 1.98 -2.79 0.00 0.00 178.44 178.27 3dhw h MET 75 N 1.09 0.00 -0.50 2.65 4.05 -0.76 -3.07 114.93 118.39 3dhw h MET 75 Ca 0.28 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.80 3dhw h MET 75 Cb -0.02 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.69 3dhw h MET 75 CO -0.05 0.00 -0.12 0.82 0.23 0.00 0.00 176.91 177.79 3dhw h ILE 76 N 0.00 0.50 -0.72 1.77 1.08 -0.95 0.80 117.51 119.99 3dhw h ILE 76 Ca -0.00 -0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 3dhw h ILE 76 Cb 0.01 0.50 -0.12 0.00 -3.07 0.00 0.00 36.82 34.13 3dhw h ILE 76 CO 0.00 0.00 -0.40 -0.65 -0.69 0.00 0.00 178.15 176.41 3dhw h PRO 77 N 0.00 -0.12 -0.92 2.37 0.11 -1.74 0.92 132.00 132.62 3dhw h PRO 77 Ca 0.24 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 3dhw h PRO 77 Cb 0.36 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 3dhw h PRO 77 CO -0.51 -0.08 0.54 0.74 -0.21 0.00 0.00 178.00 178.48 3dhw h PHE 78 N -0.13 1.23 -0.64 0.65 0.04 -1.13 -3.04 116.94 113.92 3dhw h PHE 78 Ca 0.24 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 3dhw h PHE 78 Cb 0.56 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3dhw h PHE 78 CO -0.75 0.83 0.31 1.15 -0.60 0.00 0.00 178.31 179.25 3dhw h THR 79 N 1.28 1.22 -0.77 -1.55 2.02 0.42 -1.08 112.91 114.45 3dhw h THR 79 Ca 0.33 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3dhw h THR 79 Cb -0.03 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3dhw h THR 79 CO -0.06 0.25 0.50 -0.09 0.37 0.00 0.00 175.52 176.50 3dhw h ARG 80 N 0.88 1.03 -0.35 6.66 2.43 0.70 -2.86 114.38 122.86 3dhw h ARG 80 Ca 0.22 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 3dhw h ARG 80 Cb 0.12 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3dhw h ARG 80 CO -0.03 0.69 -0.44 -0.39 -1.51 0.00 0.00 179.97 178.29 3dhw h VAL 81 N 1.05 1.27 -0.50 0.20 -1.51 -1.49 -3.38 116.25 111.89 3dhw h VAL 81 Ca 0.28 -1.62 -0.13 0.00 -1.23 0.00 0.00 66.70 64.01 3dhw h VAL 81 Cb -0.10 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 3dhw h VAL 81 CO -0.06 0.54 -0.18 0.40 -1.23 0.00 0.00 177.57 177.04 3dhw h ILE 82 N 0.74 1.27 -3.18 7.19 1.08 -1.06 -3.45 117.51 120.10 3dhw h ILE 82 Ca 0.05 -1.35 -0.38 0.00 -0.39 0.00 0.00 64.86 62.79 3dhw h ILE 82 Cb 1.04 1.07 -0.15 0.00 -3.07 0.00 0.00 36.82 35.72 3dhw h ILE 82 CO 0.11 0.47 -0.72 0.54 -0.69 0.00 0.00 178.15 177.85 3dhw s VAL 83 N -4.73 1.41 0.28 1.67 0.11 -1.09 -5.07 120.40 112.98 3dhw s VAL 83 Ca -0.11 -2.12 -0.02 0.00 -2.93 0.00 0.00 61.98 56.79 3dhw s VAL 83 Cb 0.12 -1.93 0.27 0.00 -1.53 0.00 0.00 36.38 33.32 3dhw s VAL 83 CO 0.87 -0.68 1.92 1.23 -3.33 0.00 0.00 175.10 175.11 3dhw h GLY 84 N 2.70 1.34 -5.34 6.54 0.00 -1.85 -3.41 103.07 103.04 3dhw h GLY 84 Ca -0.37 -0.45 -0.68 0.00 0.00 0.00 0.00 47.33 45.82 3dhw h GLY 84 CO 0.63 0.38 -0.88 -1.59 0.00 0.00 0.00 176.54 175.08 3dhw s THR 85 N -5.98 2.06 -0.01 4.70 2.01 -1.26 -4.96 115.64 112.20 3dhw s THR 85 Ca -0.12 -1.02 0.32 0.00 0.31 0.00 0.00 61.69 61.18 3dhw s THR 85 Cb 0.19 -1.78 0.36 0.00 0.01 0.00 0.00 72.50 71.28 3dhw s THR 85 CO 0.80 0.56 1.94 0.77 -0.69 0.00 0.00 174.62 178.00 3dhw h SER 86 N 6.71 0.00 -0.24 3.53 4.64 -1.80 -3.15 113.55 123.24 3dhw h SER 86 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3dhw h SER 86 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dhw h SER 86 CO 0.47 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.73 3dhw n ILE 87 N -2.90 0.29 -2.63 0.95 -5.35 -1.26 -4.75 119.36 103.71 3dhw n ILE 87 Ca 0.01 -0.65 -0.35 0.00 -0.27 0.00 0.00 62.75 61.49 3dhw n ILE 87 Cb 0.28 1.21 -0.05 0.00 -1.74 0.00 0.00 39.64 39.34 3dhw n ILE 87 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dhw s GLY 88 N -1.71 2.59 0.21 3.28 0.00 -1.19 -4.19 107.32 106.32 3dhw s GLY 88 Ca 0.34 0.59 -0.08 0.00 0.00 0.00 0.00 44.72 45.57 3dhw s GLY 88 CO 0.31 0.95 1.80 -2.00 0.00 0.00 0.00 173.10 174.15 3dhw h LEU 89 N 2.13 1.06 -0.73 0.66 5.85 -1.91 1.06 115.31 123.43 3dhw h LEU 89 Ca -0.49 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.02 3dhw h LEU 89 Cb 1.21 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3dhw h LEU 89 CO 0.61 0.91 0.17 1.56 -0.34 0.00 0.00 178.44 181.36 3dhw h GLN 90 N 1.14 1.14 -0.38 1.25 4.20 -1.98 -2.62 115.11 117.87 3dhw h GLN 90 Ca 0.27 -0.27 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3dhw h GLN 90 Cb 0.15 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3dhw h GLN 90 CO -0.03 1.00 -0.39 0.00 -0.67 0.00 0.00 178.83 178.74 3dhw h ALA 91 N 1.10 0.59 0.00 3.87 0.00 -1.76 -3.19 119.26 119.87 3dhw h ALA 91 Ca 0.22 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3dhw h ALA 91 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dhw h ALA 91 CO 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.90 3dhw h ALA 92 N 0.80 1.10 -0.99 0.00 0.00 0.15 -2.53 119.26 117.78 3dhw h ALA 92 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dhw h ALA 92 Cb 0.98 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3dhw h ALA 92 CO 0.10 0.04 0.66 -0.84 0.00 0.00 0.00 179.25 179.21 3dhw h ILE 93 N 0.00 1.25 0.67 0.00 3.07 -1.47 -2.60 117.51 118.44 3dhw h ILE 93 Ca -0.00 -0.46 -0.03 0.00 1.55 0.00 0.00 64.86 65.92 3dhw h ILE 93 Cb 0.25 -0.21 0.01 0.00 -0.27 0.00 0.00 36.82 36.60 3dhw h ILE 93 CO 0.00 0.25 -0.32 0.58 -1.05 0.00 0.00 178.15 177.61 3dhw h VAL 94 N 1.34 0.33 -0.78 0.16 2.07 -1.65 -0.02 116.25 117.71 3dhw h VAL 94 Ca 0.36 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 68.00 3dhw h VAL 94 Cb -0.15 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 3dhw h VAL 94 CO -0.08 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.58 3dhw h PRO 95 N -0.93 0.48 -0.98 1.57 0.13 -1.67 0.18 132.00 130.77 3dhw h PRO 95 Ca -0.09 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 3dhw h PRO 95 Cb 0.70 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.67 3dhw h PRO 95 CO 0.15 0.31 0.65 1.25 -0.23 0.00 0.00 178.00 180.14 3dhw h LEU 96 N 0.49 1.12 -0.97 1.56 5.85 -1.23 -3.15 115.31 118.98 3dhw h LEU 96 Ca 0.38 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.09 3dhw h LEU 96 Cb 0.78 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3dhw h LEU 96 CO -0.13 0.80 0.65 0.71 -0.34 0.00 0.00 178.44 180.12 3dhw h THR 97 N 1.32 1.25 -0.37 1.05 1.35 0.14 -2.99 112.91 114.65 3dhw h THR 97 Ca 0.37 -0.45 -0.12 0.00 -0.55 0.00 0.00 66.41 65.65 3dhw h THR 97 Cb -0.13 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.10 3dhw h THR 97 CO -0.09 0.24 -0.24 0.58 -0.25 0.00 0.00 175.52 175.76 3dhw h VAL 98 N 1.32 1.28 -0.98 6.82 2.07 -1.53 -2.32 116.25 122.91 3dhw h VAL 98 Ca 0.36 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3dhw h VAL 98 Cb -0.15 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3dhw h VAL 98 CO -0.08 0.46 0.65 1.23 0.02 0.00 0.00 177.57 179.85 3dhw h GLY 99 N 0.61 1.38 1.04 2.17 0.00 -1.51 -2.59 103.07 104.18 3dhw h GLY 99 Ca 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3dhw h GLY 99 CO 0.07 0.51 0.36 0.00 0.00 0.00 0.00 176.54 177.48 3dhw h ALA 100 N 1.36 1.06 -0.14 3.60 0.00 -1.42 -3.37 119.26 120.35 3dhw h ALA 100 Ca 0.36 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3dhw h ALA 100 Cb -0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.25 3dhw h ALA 100 CO -0.08 0.65 -0.41 0.00 0.00 0.00 0.00 179.25 179.41 3dhw h ALA 101 N 1.19 -0.57 -0.92 0.00 0.00 -1.00 0.06 119.26 118.02 3dhw h ALA 101 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3dhw h ALA 101 Cb 0.17 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3dhw h ALA 101 CO -0.03 -0.92 0.55 -1.00 0.00 0.00 0.00 179.25 177.86 3dhw h PRO 102 N -0.48 1.25 -0.08 0.00 0.13 -1.71 0.27 132.00 131.38 3dhw h PRO 102 Ca 0.08 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3dhw h PRO 102 Cb 0.62 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3dhw h PRO 102 CO -0.40 0.87 0.04 0.35 -0.23 0.00 0.00 178.00 178.63 3dhw h PHE 103 N 1.27 0.07 -0.15 1.56 3.57 -1.67 -2.60 116.94 118.99 3dhw h PHE 103 Ca 0.33 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.70 3dhw h PHE 103 Cb -0.05 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3dhw h PHE 103 CO 0.01 0.04 -0.47 -0.84 -2.23 0.00 0.00 178.31 174.82 3dhw h ILE 104 N 0.08 1.32 -0.94 1.41 3.07 -0.41 -3.28 117.51 118.76 3dhw h ILE 104 Ca 0.03 -1.67 0.01 0.00 1.55 0.00 0.00 64.86 64.77 3dhw h ILE 104 Cb 0.00 1.72 -0.05 0.00 -0.27 0.00 0.00 36.82 38.23 3dhw h ILE 104 CO -0.02 0.51 0.62 0.00 -1.05 0.00 0.00 178.15 178.21 3dhw h ALA 105 N 1.19 1.19 0.00 0.16 0.00 -0.09 0.25 119.26 121.97 3dhw h ALA 105 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3dhw h ALA 105 Cb 0.94 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dhw h ALA 105 CO 0.08 0.60 -0.31 -0.09 0.00 0.00 0.00 179.25 179.52 3dhw h ARG 106 N 1.28 0.00 -1.00 0.00 2.43 -1.61 -1.99 114.38 113.49 3dhw h ARG 106 Ca 0.34 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 3dhw h ARG 106 Cb -0.14 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3dhw h ARG 106 CO -0.07 0.31 0.66 0.52 -1.51 0.00 0.00 179.97 179.88 3dhw h MET 107 N 0.00 1.29 -0.09 0.20 2.86 -1.02 -0.69 114.93 117.48 3dhw h MET 107 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3dhw h MET 107 Cb 0.56 -0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3dhw h MET 107 CO 0.04 0.86 0.06 0.28 1.06 0.00 0.00 176.91 179.21 3dhw h VAL 108 N 1.33 1.02 -0.00 -2.22 2.07 -0.81 -2.13 116.25 115.52 3dhw h VAL 108 Ca 0.37 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3dhw h VAL 108 Cb -0.12 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3dhw h VAL 108 CO -0.09 0.02 0.00 -0.08 0.02 0.00 0.00 177.57 177.44 3dhw h GLU 109 N 0.12 0.00 -0.57 1.57 4.81 -1.03 -2.72 114.58 116.76 3dhw h GLU 109 Ca 0.03 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3dhw h GLU 109 Cb -0.01 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3dhw h GLU 109 CO -0.01 0.00 -0.07 -0.91 -0.73 0.00 0.00 179.01 177.29 3dhw h ASN 110 N 0.00 1.05 -0.97 1.04 2.35 -1.33 -1.41 115.58 116.31 3dhw h ASN 110 Ca 0.00 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3dhw h ASN 110 Cb 0.00 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.04 3dhw h ASN 110 CO -0.00 1.13 0.64 0.00 -1.65 0.00 0.00 177.43 177.55 3dhw h ALA 111 N 0.95 1.23 -0.56 -0.83 0.00 -1.41 0.39 119.26 119.03 3dhw h ALA 111 Ca 0.15 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3dhw h ALA 111 Cb 0.64 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3dhw h ALA 111 CO 0.04 0.63 -0.00 -0.07 0.00 0.00 0.00 179.25 179.85 3dhw h LEU 112 N 1.32 0.97 -0.90 0.00 3.38 -1.26 -3.15 115.31 115.67 3dhw h LEU 112 Ca 0.35 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3dhw h LEU 112 Cb -0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 3dhw h LEU 112 CO -0.08 1.04 -0.54 -0.07 0.09 0.00 0.00 178.44 178.89 3dhw h LEU 113 N 0.88 0.03 -1.10 1.67 3.38 -0.96 -3.10 115.31 116.11 3dhw h LEU 113 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dhw h LEU 113 Cb 0.54 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3dhw h LEU 113 CO 0.03 0.56 0.57 -0.33 0.09 0.00 0.00 178.44 179.37 3dhw h GLU 114 N 0.02 1.18 -7.07 1.13 5.08 -0.88 -3.45 114.58 110.60 3dhw h GLU 114 Ca -0.00 -0.08 -0.55 0.00 -1.00 0.00 0.00 59.36 57.72 3dhw h GLU 114 Cb 0.96 -0.26 0.14 0.00 0.50 0.00 0.00 28.75 30.09 3dhw h GLU 114 CO 0.07 0.80 0.57 -1.50 -1.00 0.00 0.00 179.01 177.95 3dhw s ILE 115 N -5.97 2.12 -0.77 3.13 1.10 -1.17 -4.90 121.20 114.74 3dhw s ILE 115 Ca -0.12 0.09 -0.18 0.00 -0.51 0.00 0.00 60.65 59.93 3dhw s ILE 115 Cb 0.18 -3.04 -0.18 0.00 0.15 0.00 0.00 42.46 39.56 3dhw s ILE 115 CO 0.81 -0.01 2.01 -2.65 -2.11 0.00 0.00 174.94 172.99 3dhw n PRO 116 N -1.29 0.20 0.00 3.50 -0.02 -1.26 -4.97 135.00 131.16 3dhw n PRO 116 Ca 0.12 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 3dhw n PRO 116 Cb 0.46 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3dhw n PRO 116 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dhw n THR 117 N 7.39 0.00 0.32 3.45 -2.24 -1.26 -3.89 114.28 118.05 3dhw n THR 117 Ca 0.41 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.31 3dhw n THR 117 Cb 0.39 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.27 3dhw n THR 117 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dhw h GLY 118 N 0.00 0.00 1.01 3.38 0.00 -1.98 -1.76 103.07 103.71 3dhw h GLY 118 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3dhw h GLY 118 CO 0.00 0.00 0.51 1.41 0.00 0.00 0.00 176.54 178.46 3dhw h LEU 119 N 0.00 0.89 -0.78 3.11 3.38 -1.98 1.04 115.31 120.97 3dhw h LEU 119 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3dhw h LEU 119 Cb 0.86 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3dhw h LEU 119 CO 0.00 0.65 0.27 0.40 0.09 0.00 0.00 178.44 179.85 3dhw h ILE 120 N 1.05 1.26 -0.97 1.22 1.08 -1.43 0.75 117.51 120.46 3dhw h ILE 120 Ca 0.28 -0.88 0.02 0.00 -0.39 0.00 0.00 64.86 63.89 3dhw h ILE 120 Cb -0.11 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 33.96 3dhw h ILE 120 CO -0.06 0.35 0.64 -0.33 -0.69 0.00 0.00 178.15 178.07 3dhw h GLU 121 N 1.14 1.26 0.00 2.37 5.08 -1.24 0.41 114.58 123.60 3dhw h GLU 121 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3dhw h GLU 121 Cb 0.27 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3dhw h GLU 121 CO -0.01 0.83 0.00 0.00 -1.00 0.00 0.00 179.01 178.83 3dhw n ALA 122 N -2.38 1.04 0.38 3.43 0.00 0.35 -0.02 120.51 123.30 3dhw n ALA 122 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3dhw n ALA 122 Cb 0.03 -1.02 0.52 0.00 0.00 0.00 0.00 19.45 18.98 3dhw n ALA 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dhw h SER 123 N 0.00 0.00 -0.96 0.00 4.64 0.05 -2.14 113.55 115.14 3dhw h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dhw h SER 123 Cb 0.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 3dhw h SER 123 CO 0.00 0.00 0.60 -0.09 -0.87 0.00 0.00 176.83 176.47 3dhw h ARG 124 N 0.00 1.29 -0.88 4.77 2.43 -0.58 -0.17 114.38 121.24 3dhw h ARG 124 Ca 0.00 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3dhw h ARG 124 Cb 0.39 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3dhw h ARG 124 CO 0.00 0.88 0.47 0.00 -1.51 0.00 0.00 179.97 179.81 3dhw h ALA 125 N 1.35 1.13 -3.00 2.80 0.00 -1.58 -3.35 119.26 116.59 3dhw h ALA 125 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dhw h ALA 125 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.34 3dhw h ALA 125 CO -0.07 0.65 0.00 -1.33 0.00 0.00 0.00 179.25 178.50 3dhw n MET 126 N -4.34 0.00 -1.93 0.00 2.81 -0.12 -4.77 117.12 108.77 3dhw n MET 126 Ca 0.09 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.69 3dhw n MET 126 Cb 0.11 -0.81 0.15 0.00 -0.71 0.00 0.00 33.22 31.95 3dhw n MET 126 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dhw s GLY 127 N -0.05 1.71 0.09 3.03 0.00 -0.95 -4.93 107.32 106.23 3dhw s GLY 127 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 44.72 43.49 3dhw s GLY 127 CO 0.00 -0.34 1.74 0.00 0.00 0.00 0.00 173.10 174.50 3dhw h ALA 128 N -1.41 0.03 -7.02 3.20 0.00 -1.86 -3.43 119.26 108.76 3dhw h ALA 128 Ca -0.45 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 3dhw h ALA 128 Cb 1.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3dhw h ALA 128 CO 0.48 -0.47 -0.87 0.25 0.00 0.00 0.00 179.25 178.64 3dhw n THR 129 N -5.07 -2.10 0.00 0.00 -2.24 -1.26 -4.88 114.28 98.72 3dhw n THR 129 Ca -0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3dhw n THR 129 Cb 0.03 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 3dhw n THR 129 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3dhw n PRO 130 N -4.48 3.53 0.26 -0.78 -0.04 -1.26 -4.10 135.00 128.14 3dhw n PRO 130 Ca -0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.19 3dhw n PRO 130 Cb 0.49 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 3dhw n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dhw h MET 131 N 0.00 -0.60 -0.45 0.54 -0.00 -2.00 -1.90 114.93 110.52 3dhw h MET 131 Ca 0.00 0.04 -0.13 0.00 -0.00 0.00 0.00 59.70 59.61 3dhw h MET 131 Cb 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.73 3dhw h MET 131 CO 0.00 -0.37 -0.23 1.96 -0.00 0.00 0.00 176.91 178.27 3dhw h GLN 132 N -0.69 0.96 -0.50 -0.10 1.08 -2.00 -2.85 115.11 111.00 3dhw h GLN 132 Ca -0.06 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 56.68 3dhw h GLN 132 Cb 0.51 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3dhw h GLN 132 CO 0.10 1.09 0.17 0.82 -0.95 0.00 0.00 178.83 180.07 3dhw h ILE 133 N 0.80 1.22 0.00 2.54 1.08 -1.85 -1.87 117.51 119.44 3dhw h ILE 133 Ca 0.10 -0.72 -0.10 0.00 -0.39 0.00 0.00 64.86 63.74 3dhw h ILE 133 Cb 0.81 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 3dhw h ILE 133 CO 0.07 0.27 -0.49 1.62 -0.69 0.00 0.00 178.15 178.93 3dhw h VAL 134 N 0.67 1.35 -0.93 1.67 3.04 -1.31 -2.31 116.25 118.43 3dhw h VAL 134 Ca 0.16 -1.68 -0.00 0.00 -1.01 0.00 0.00 66.70 64.17 3dhw h VAL 134 Cb 0.24 1.91 -0.05 0.00 -2.01 0.00 0.00 31.29 31.38 3dhw h VAL 134 CO -0.01 0.48 0.58 0.03 -1.01 0.00 0.00 177.57 177.64 3dhw h ARG 135 N 0.00 1.25 -0.01 4.17 2.47 -1.12 -0.41 114.38 120.73 3dhw h ARG 135 Ca -0.00 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 3dhw h ARG 135 Cb 0.87 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3dhw h ARG 135 CO 0.06 0.86 -0.34 0.87 0.56 0.00 0.00 179.97 181.99 3dhw h LYS 136 N 1.28 0.01 -0.36 0.04 1.79 -0.87 -1.99 116.57 116.46 3dhw h LYS 136 Ca 0.34 -0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.64 3dhw h LYS 136 Cb -0.08 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3dhw h LYS 136 CO -0.07 0.35 -0.40 -0.39 -1.08 0.00 0.00 179.45 177.86 3dhw h VAL 137 N 0.01 1.27 -0.17 0.50 -1.51 -0.72 -3.38 116.25 112.24 3dhw h VAL 137 Ca -0.00 -1.58 -0.00 0.00 -1.23 0.00 0.00 66.70 63.88 3dhw h VAL 137 Cb 0.60 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 3dhw h VAL 137 CO 0.04 0.53 0.10 -0.07 -1.23 0.00 0.00 177.57 176.94 3dhw h LEU 138 N 0.73 0.22 -0.40 4.19 3.38 -0.71 -3.35 115.31 119.38 3dhw h LEU 138 Ca 0.06 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3dhw h LEU 138 Cb 0.99 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 3dhw h LEU 138 CO 0.10 0.23 -0.10 -0.07 0.09 0.00 0.00 178.44 178.69 3dhw h LEU 139 N 0.18 -0.38 -0.45 1.67 3.38 -1.62 0.27 115.31 118.37 3dhw h LEU 139 Ca 0.06 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3dhw h LEU 139 Cb 0.06 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 3dhw h LEU 139 CO -0.01 -0.14 -0.23 -0.65 0.09 0.00 0.00 178.44 177.50 3dhw h PRO 140 N -0.01 -0.14 -0.64 1.13 0.11 -1.76 0.41 132.00 131.10 3dhw h PRO 140 Ca 0.19 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 3dhw h PRO 140 Cb 0.30 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3dhw h PRO 140 CO -0.41 -0.09 0.06 0.93 -0.21 0.00 0.00 178.00 178.28 3dhw h GLU 141 N -0.14 1.09 -0.85 1.05 4.39 -1.48 -3.33 114.58 115.32 3dhw h GLU 141 Ca 0.21 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3dhw h GLU 141 Cb 0.47 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3dhw h GLU 141 CO -0.53 1.02 0.56 0.00 -1.16 0.00 0.00 179.01 178.90 3dhw h ALA 142 N 1.04 1.07 -0.41 3.43 0.00 0.15 -3.29 119.26 121.26 3dhw h ALA 142 Ca 0.19 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3dhw h ALA 142 Cb 0.49 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3dhw h ALA 142 CO 0.02 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.58 3dhw h LEU 143 N 1.15 -0.38 -1.77 0.00 3.38 -1.16 1.86 115.31 118.38 3dhw h LEU 143 Ca 0.31 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.48 3dhw h LEU 143 Cb -0.13 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dhw h LEU 143 CO -0.07 -0.13 0.30 1.55 0.09 0.00 0.00 178.44 180.18 3dhw h PRO 144 N -0.00 0.26 0.04 1.13 0.13 -1.77 0.61 132.00 132.40 3dhw h PRO 144 Ca 0.19 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dhw h PRO 144 Cb 0.30 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.37 3dhw h PRO 144 CO -0.42 0.17 -0.02 0.78 -0.23 0.00 0.00 178.00 178.28 3dhw h GLY 145 N 0.27 -0.06 1.00 1.56 0.00 -1.07 -2.34 103.07 102.43 3dhw h GLY 145 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3dhw h GLY 145 CO -0.04 -0.02 0.10 1.41 0.00 0.00 0.00 176.54 177.99 3dhw h LEU 146 N -0.55 0.18 -0.44 3.11 3.38 0.67 -0.98 115.31 120.68 3dhw h LEU 146 Ca -0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3dhw h LEU 146 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3dhw h LEU 146 CO 0.01 0.13 -0.25 0.58 0.09 0.00 0.00 178.44 179.00 3dhw h VAL 147 N 0.20 1.27 -0.90 1.22 2.07 -0.13 1.31 116.25 121.30 3dhw h VAL 147 Ca 0.06 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.17 3dhw h VAL 147 Cb -0.02 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3dhw h VAL 147 CO -0.01 0.48 0.59 -1.13 0.02 0.00 0.00 177.57 177.52 3dhw h ASN 148 N 0.78 1.03 -0.43 0.57 -1.24 -1.31 0.17 115.58 115.15 3dhw h ASN 148 Ca 0.09 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 3dhw h ASN 148 Cb 0.83 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.60 3dhw h ASN 148 CO 0.07 0.75 0.26 0.00 -1.29 0.00 0.00 177.43 177.23 3dhw h ALA 149 N 1.33 0.55 -0.69 1.57 0.00 -0.42 -2.96 119.26 118.63 3dhw h ALA 149 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3dhw h ALA 149 Cb -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3dhw h ALA 149 CO -0.07 0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.58 3dhw h ALA 150 N 1.12 1.34 -0.77 0.00 0.00 0.29 -2.56 119.26 118.68 3dhw h ALA 150 Ca 0.15 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dhw h ALA 150 Cb -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3dhw h ALA 150 CO -0.03 0.53 0.49 1.15 0.00 0.00 0.00 179.25 181.40 3dhw h THR 151 N 0.97 1.13 0.00 0.00 2.02 -0.55 -1.50 112.91 114.98 3dhw h THR 151 Ca 0.24 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3dhw h THR 151 Cb 0.05 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3dhw h THR 151 CO -0.04 0.18 -0.01 0.16 0.37 0.00 0.00 175.52 176.18 3dhw h ILE 152 N 0.97 0.02 -0.40 3.11 3.07 -1.44 -3.07 117.51 119.77 3dhw h ILE 152 Ca 0.30 -0.88 -0.15 0.00 1.55 0.00 0.00 64.86 65.67 3dhw h ILE 152 Cb -0.01 1.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 3dhw h ILE 152 CO -0.10 0.01 -0.35 0.71 -1.05 0.00 0.00 178.15 177.37 3dhw h THR 153 N 0.00 1.27 -0.52 0.16 1.35 -0.89 -3.26 112.91 111.02 3dhw h THR 153 Ca -0.00 -1.52 -0.12 0.00 -0.55 0.00 0.00 66.41 64.21 3dhw h THR 153 Cb 0.87 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 3dhw h THR 153 CO 0.00 0.51 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.55 3dhw h LEU 154 N 0.78 1.04 -0.59 3.87 3.38 -1.35 -1.83 115.31 120.62 3dhw h LEU 154 Ca 0.07 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 3dhw h LEU 154 Cb 0.94 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dhw h LEU 154 CO 0.09 1.18 -0.05 0.16 0.09 0.00 0.00 178.44 179.91 3dhw h ILE 155 N 0.90 1.27 -0.64 1.22 3.07 -1.65 1.12 117.51 122.80 3dhw h ILE 155 Ca 0.13 -1.21 -0.09 0.00 1.55 0.00 0.00 64.86 65.23 3dhw h ILE 155 Cb 0.74 0.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.14 3dhw h ILE 155 CO 0.06 0.44 0.04 0.71 -1.05 0.00 0.00 178.15 178.34 3dhw h THR 156 N 0.96 1.27 -0.90 0.16 1.35 -1.61 -1.93 112.91 112.20 3dhw h THR 156 Ca 0.16 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3dhw h THR 156 Cb 0.62 0.73 -0.04 0.00 -1.73 0.00 0.00 68.15 67.73 3dhw h THR 156 CO 0.04 0.41 0.55 0.25 -0.25 0.00 0.00 175.52 176.52 3dhw h LEU 157 N 1.01 1.08 -0.54 3.87 5.85 -0.22 -1.76 115.31 124.60 3dhw h LEU 157 Ca 0.19 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3dhw h LEU 157 Cb 0.52 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3dhw h LEU 157 CO 0.02 0.83 0.34 0.58 -0.34 0.00 0.00 178.44 179.87 3dhw h VAL 158 N 1.24 1.16 -0.77 1.05 2.07 0.18 -1.73 116.25 119.44 3dhw h VAL 158 Ca 0.32 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3dhw h VAL 158 Cb -0.06 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3dhw h VAL 158 CO -0.06 0.16 0.50 1.23 0.02 0.00 0.00 177.57 179.42 3dhw h GLY 159 N 0.73 1.09 1.02 2.17 0.00 -1.20 -0.60 103.07 106.28 3dhw h GLY 159 Ca 0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3dhw h GLY 159 CO -0.04 0.40 0.58 -1.82 0.00 0.00 0.00 176.54 175.66 3dhw h TYR 160 N 1.05 1.23 -1.00 5.60 5.03 -0.47 -2.77 116.97 125.64 3dhw h TYR 160 Ca 0.28 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.60 3dhw h TYR 160 Cb -0.11 -0.41 -0.05 0.00 1.55 0.00 0.00 36.73 37.71 3dhw h TYR 160 CO 0.00 0.81 0.67 1.03 -1.32 0.00 0.00 178.16 179.35 3dhw h SER 161 N 1.30 1.15 -1.00 -2.11 0.87 -0.39 -2.24 113.55 111.13 3dhw h SER 161 Ca 0.34 -0.03 0.17 0.00 -1.23 0.00 0.00 61.79 61.04 3dhw h SER 161 Cb -0.07 -0.29 -0.10 0.00 -0.44 0.00 0.00 62.40 61.50 3dhw h SER 161 CO -0.07 0.83 0.61 0.00 -0.53 0.00 0.00 176.83 177.67 3dhw h ALA 162 N 1.38 1.60 -0.69 6.23 0.00 -1.17 1.83 119.26 128.44 3dhw h ALA 162 Ca 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3dhw h ALA 162 Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3dhw h ALA 162 CO -0.08 0.04 0.35 0.52 0.00 0.00 0.00 179.25 180.07 3dhw h MET 163 N 0.83 0.96 -0.94 0.00 2.07 -1.43 -2.60 114.93 113.82 3dhw h MET 163 Ca 0.55 -0.12 0.01 0.00 -2.07 0.00 0.00 59.70 58.07 3dhw h MET 163 Cb 0.76 -0.19 -0.05 0.00 -1.87 0.00 0.00 31.60 30.25 3dhw h MET 163 CO -0.35 0.73 0.62 0.78 1.07 0.00 0.00 176.91 179.77 3dhw h GLY 164 N 1.03 1.32 0.99 8.32 0.00 0.29 -1.88 103.07 113.14 3dhw h GLY 164 Ca 0.24 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.09 3dhw h GLY 164 CO -0.03 0.48 0.67 -1.33 0.00 0.00 0.00 176.54 176.32 3dhw h GLY 165 N 1.27 1.43 1.82 4.60 0.00 -0.98 0.28 103.07 111.49 3dhw h GLY 165 Ca 0.35 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3dhw h GLY 165 CO -0.08 0.51 0.00 0.00 0.00 0.00 0.00 176.54 176.97 3dhw n ALA 166 N -2.38 1.38 -2.00 3.60 0.00 -0.74 -3.88 120.51 116.49 3dhw n ALA 166 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3dhw n ALA 166 Cb 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3dhw n ALA 166 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3dhw n VAL 167 N -1.41 0.00 -0.21 0.00 3.14 0.68 -5.01 118.33 115.52 3dhw n VAL 167 Ca 0.02 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.57 3dhw n VAL 167 Cb 0.07 0.00 0.28 0.00 -1.06 0.00 0.00 33.84 33.13 3dhw n VAL 167 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dhw n GLY 168 N 0.00 -0.35 2.62 7.55 0.00 -1.13 -4.55 105.19 109.34 3dhw n GLY 168 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 3dhw n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw n ALA 169 N -2.54 0.49 -1.73 4.61 0.00 0.50 -4.08 120.51 117.76 3dhw n ALA 169 Ca 0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.00 3dhw n ALA 169 Cb 0.66 1.26 0.04 0.00 0.00 0.00 0.00 19.45 21.40 3dhw n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 170 N -0.51 -0.28 0.00 0.00 0.00 -1.26 -3.31 105.19 99.83 3dhw n GLY 170 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3dhw n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhw n GLY 171 N 3.22 -0.57 0.23 -0.02 0.00 -1.26 -3.39 105.19 103.40 3dhw n GLY 171 Ca 0.04 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.52 3dhw n GLY 171 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dhw h LEU 172 N 0.00 0.00 -0.44 0.99 6.46 -1.89 -0.24 115.31 120.19 3dhw h LEU 172 Ca 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.62 3dhw h LEU 172 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3dhw h LEU 172 CO 0.00 0.00 -0.27 1.23 -0.62 0.00 0.00 178.44 178.78 3dhw h GLY 173 N 2.08 1.04 0.97 3.75 0.00 -1.87 -2.90 103.07 106.14 3dhw h GLY 173 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 47.33 46.37 3dhw h GLY 173 CO 0.00 0.88 0.19 -1.61 0.00 0.00 0.00 176.54 176.01 3dhw h GLN 174 N 0.80 0.38 -0.36 4.80 5.75 -1.15 1.39 115.11 126.72 3dhw h GLN 174 Ca 0.09 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.41 3dhw h GLN 174 Cb 0.85 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 3dhw h GLN 174 CO 0.08 0.25 -0.38 -0.84 -2.65 0.00 0.00 178.83 175.29 3dhw h ILE 175 N 0.40 1.28 -0.99 2.39 3.07 -1.65 0.60 117.51 122.61 3dhw h ILE 175 Ca 0.12 -1.55 0.01 0.00 1.55 0.00 0.00 64.86 64.99 3dhw h ILE 175 Cb -0.03 1.44 -0.05 0.00 -0.27 0.00 0.00 36.82 37.91 3dhw h ILE 175 CO -0.04 0.52 0.66 1.23 -1.05 0.00 0.00 178.15 179.46 3dhw h GLY 176 N 0.70 1.39 0.50 0.16 0.00 -1.17 0.40 103.07 105.06 3dhw h GLY 176 Ca 0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3dhw h GLY 176 CO 0.09 0.50 -0.24 -1.82 0.00 0.00 0.00 176.54 175.08 3dhw h TYR 177 N 1.34 -0.62 0.00 5.60 5.03 0.21 0.40 116.97 128.93 3dhw h TYR 177 Ca 0.36 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.66 3dhw h TYR 177 Cb -0.15 0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 3dhw h TYR 177 CO -0.00 -0.39 -0.00 0.37 -1.32 0.00 0.00 178.16 176.82 3dhw h GLN 178 N -1.15 -0.00 -0.01 1.82 4.15 0.39 3.84 115.11 124.14 3dhw h GLN 178 Ca -0.07 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 3dhw h GLN 178 Cb 0.52 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3dhw h GLN 178 CO 0.11 -0.00 -0.51 1.88 -1.93 0.00 0.00 178.83 178.38 3dhw h TYR 179 N -0.00 0.04 0.00 3.99 -1.99 -0.35 -3.07 116.97 115.58 3dhw h TYR 179 Ca 0.00 -0.01 -0.39 0.00 2.00 0.00 0.00 58.73 60.33 3dhw h TYR 179 Cb 0.01 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.66 3dhw h TYR 179 CO -0.08 0.53 -2.48 0.41 -0.00 0.00 0.00 178.16 176.54 3dhw n GLY 180 N -0.06 -0.36 0.15 3.88 0.00 0.14 -0.27 105.19 108.66 3dhw n GLY 180 Ca -0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3dhw n GLY 180 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dhw h TYR 181 N -0.05 0.40 0.00 1.61 5.03 0.78 -2.89 116.97 121.85 3dhw h TYR 181 Ca -0.58 0.01 -0.23 0.00 2.58 0.00 0.00 58.73 60.50 3dhw h TYR 181 Cb 1.88 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.99 3dhw h TYR 181 CO 0.02 0.25 -1.78 -0.89 -1.32 0.00 0.00 178.16 174.45 3dhw n ILE 182 N -4.86 0.77 -0.31 1.81 5.41 -1.20 -4.82 119.36 116.15 3dhw n ILE 182 Ca -0.01 -0.21 -0.05 0.00 1.00 0.00 0.00 62.75 63.49 3dhw n ILE 182 Cb 0.03 -1.61 0.08 0.00 -0.71 0.00 0.00 39.64 37.42 3dhw n ILE 182 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dhw h GLY 183 N -0.33 1.28 -5.63 7.39 0.00 -1.59 -3.48 103.07 100.71 3dhw h GLY 183 Ca -0.35 -0.61 -0.33 0.00 0.00 0.00 0.00 47.33 46.04 3dhw h GLY 183 CO -0.20 0.58 -0.77 -1.72 0.00 0.00 0.00 176.54 174.44 3dhw n TYR 184 N -4.35 -2.18 -2.74 5.60 4.01 0.63 -4.91 117.16 113.22 3dhw n TYR 184 Ca 0.08 0.93 -0.43 0.00 -0.16 0.00 0.00 57.90 58.33 3dhw n TYR 184 Cb 0.12 -5.06 -0.03 0.00 -0.31 0.00 0.00 39.34 34.05 3dhw n TYR 184 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3dhw s ASN 185 N -4.34 6.67 0.25 7.72 0.01 -0.77 -4.90 114.94 119.58 3dhw s ASN 185 Ca 0.00 0.52 -0.05 0.00 -0.71 0.00 0.00 52.86 52.62 3dhw s ASN 185 Cb -0.00 -2.49 0.28 0.00 0.41 0.00 0.00 41.25 39.45 3dhw s ASN 185 CO 0.73 -0.99 1.91 0.00 -1.51 0.00 0.00 177.10 177.23 3dhw h ALA 186 N 8.72 1.26 0.00 0.60 0.00 -1.92 -2.17 119.26 125.75 3dhw h ALA 186 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dhw h ALA 186 Cb 1.07 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3dhw h ALA 186 CO 1.03 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 180.91 3dhw h THR 187 N 1.27 0.95 0.02 0.00 1.03 -1.99 -2.60 112.91 111.59 3dhw h THR 187 Ca 0.33 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.57 3dhw h THR 187 Cb -0.07 0.95 -0.02 0.00 -1.07 0.00 0.00 68.15 67.94 3dhw h THR 187 CO -0.06 0.00 -0.89 -0.37 -0.01 0.00 0.00 175.52 174.19 3dhw h VAL 188 N -0.03 1.21 -0.85 0.00 -1.51 -1.93 -3.34 116.25 109.79 3dhw h VAL 188 Ca 0.01 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 3dhw h VAL 188 Cb 0.04 2.66 -0.04 0.00 -2.13 0.00 0.00 31.29 31.82 3dhw h VAL 188 CO -0.02 0.46 0.54 -0.03 -1.23 0.00 0.00 177.57 177.29 3dhw h MET 189 N -0.90 1.13 -0.75 5.19 -1.53 -1.54 0.71 114.93 117.25 3dhw h MET 189 Ca -0.23 -0.09 0.01 0.00 -3.44 0.00 0.00 59.70 55.95 3dhw h MET 189 Cb 1.28 -0.25 -0.04 0.00 -0.55 0.00 0.00 31.60 32.04 3dhw h MET 189 CO -0.11 0.77 0.50 -0.97 0.14 0.00 0.00 176.91 177.24 3dhw h ASN 190 N 1.15 0.86 1.02 1.39 -0.73 -1.59 0.43 115.58 118.12 3dhw h ASN 190 Ca 0.31 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 3dhw h ASN 190 Cb -0.09 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.28 3dhw h ASN 190 CO -0.06 0.62 -0.16 0.71 -0.37 0.00 0.00 177.43 178.17 3dhw h THR 191 N 1.02 0.39 -0.74 -3.57 1.35 -1.54 -3.21 112.91 106.62 3dhw h THR 191 Ca 0.28 -0.99 -0.05 0.00 -0.55 0.00 0.00 66.41 65.09 3dhw h THR 191 Cb -0.11 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 3dhw h THR 191 CO -0.06 0.16 0.25 0.58 -0.25 0.00 0.00 175.52 176.20 3dhw h VAL 192 N 0.00 1.26 -0.49 6.82 2.07 0.14 0.74 116.25 126.79 3dhw h VAL 192 Ca -0.00 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 3dhw h VAL 192 Cb 0.72 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3dhw h VAL 192 CO 0.02 0.34 -0.15 -0.07 0.02 0.00 0.00 177.57 177.74 3dhw h LEU 193 N 1.09 0.97 -0.48 2.57 3.38 -1.49 -1.06 115.31 120.29 3dhw h LEU 193 Ca 0.24 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3dhw h LEU 193 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3dhw h LEU 193 CO -0.01 1.12 -0.19 0.58 0.09 0.00 0.00 178.44 180.03 3dhw h VAL 194 N 0.81 1.27 -0.11 1.22 2.07 -1.57 0.47 116.25 120.42 3dhw h VAL 194 Ca 0.12 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3dhw h VAL 194 Cb 0.71 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3dhw h VAL 194 CO 0.05 0.47 0.07 0.25 0.02 0.00 0.00 177.57 178.43 3dhw h LEU 195 N 0.84 0.12 -0.86 2.57 5.85 -0.75 -2.65 115.31 120.42 3dhw h LEU 195 Ca 0.11 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3dhw h LEU 195 Cb 0.77 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3dhw h LEU 195 CO 0.06 0.09 0.21 -0.07 -0.34 0.00 0.00 178.44 178.39 3dhw h LEU 196 N 0.14 0.98 -0.74 2.25 3.38 -0.72 -1.90 115.31 118.71 3dhw h LEU 196 Ca 0.04 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3dhw h LEU 196 Cb -0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3dhw h LEU 196 CO -0.01 0.92 0.48 0.58 0.09 0.00 0.00 178.44 180.50 3dhw h VAL 197 N 1.01 1.18 0.00 1.22 2.07 -0.58 0.16 116.25 121.32 3dhw h VAL 197 Ca 0.22 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 3dhw h VAL 197 Cb 0.29 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3dhw h VAL 197 CO -0.01 0.18 -0.68 0.16 0.02 0.00 0.00 177.57 177.24 3dhw h ILE 198 N 0.98 1.18 -0.74 4.57 3.07 -1.50 -2.84 117.51 122.24 3dhw h ILE 198 Ca 0.27 -2.64 0.01 0.00 1.55 0.00 0.00 64.86 64.05 3dhw h ILE 198 Cb -0.09 2.56 -0.04 0.00 -0.27 0.00 0.00 36.82 38.98 3dhw h ILE 198 CO -0.07 0.67 0.49 0.25 -1.05 0.00 0.00 178.15 178.44 3dhw h LEU 199 N 0.00 0.85 -0.38 0.16 5.85 0.06 -1.64 115.31 120.21 3dhw h LEU 199 Ca -0.01 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3dhw h LEU 199 Cb 1.51 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3dhw h LEU 199 CO 0.09 0.62 -0.32 0.58 -0.34 0.00 0.00 178.44 179.07 3dhw h VAL 200 N 1.00 1.28 -1.01 1.05 2.07 -0.90 -2.75 116.25 117.00 3dhw h VAL 200 Ca 0.27 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.31 3dhw h VAL 200 Cb -0.11 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3dhw h VAL 200 CO -0.06 0.50 0.67 1.88 0.02 0.00 0.00 177.57 180.58 3dhw h TYR 201 N 0.70 1.26 -0.99 1.57 0.05 -1.24 0.20 116.97 118.53 3dhw h TYR 201 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3dhw h TYR 201 Cb 0.90 -0.43 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 3dhw h TYR 201 CO 0.06 0.79 0.63 -0.07 -1.05 0.00 0.00 178.16 178.53 3dhw h LEU 202 N 1.36 1.15 -0.72 3.88 3.38 -1.29 -1.75 115.31 121.32 3dhw h LEU 202 Ca 0.37 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3dhw h LEU 202 Cb -0.15 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.27 3dhw h LEU 202 CO -0.08 0.85 0.48 0.40 0.09 0.00 0.00 178.44 180.18 3dhw h ILE 203 N 1.35 1.19 -0.34 1.22 1.08 -0.33 -2.19 117.51 119.49 3dhw h ILE 203 Ca 0.36 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3dhw h ILE 203 Cb -0.12 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 33.74 3dhw h ILE 203 CO -0.07 0.18 0.20 -0.61 -0.69 0.00 0.00 178.15 177.16 3dhw h GLN 204 N 0.98 0.45 -0.97 2.37 4.15 -0.64 -3.02 115.11 118.43 3dhw h GLN 204 Ca 0.26 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3dhw h GLN 204 Cb -0.11 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.44 3dhw h GLN 204 CO -0.06 0.34 0.62 0.74 -1.93 0.00 0.00 178.83 178.55 3dhw h PHE 205 N 0.44 1.25 -0.06 3.99 0.05 -1.37 -0.90 116.94 120.33 3dhw h PHE 205 Ca 0.12 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.95 3dhw h PHE 205 Cb 0.00 -0.42 -0.00 0.00 2.00 0.00 0.00 35.95 37.53 3dhw h PHE 205 CO -0.04 0.80 0.07 0.00 -0.18 0.00 0.00 178.31 178.96 3dhw h ALA 206 N 1.34 1.70 -0.74 2.45 0.00 -1.33 -2.65 119.26 120.02 3dhw h ALA 206 Ca 0.35 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3dhw h ALA 206 Cb -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3dhw h ALA 206 CO -0.07 -0.10 0.49 0.78 0.00 0.00 0.00 179.25 180.35 3dhw h GLY 207 N 0.00 1.05 0.00 0.00 0.00 -1.03 -3.52 103.07 99.57 3dhw h GLY 207 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3dhw h GLY 207 CO -0.00 0.39 0.00 1.22 0.00 0.00 0.00 176.54 178.15