#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhw s PRO 2 N 0.00 1.68 0.27 0.00 0.04 -1.26 -4.93 135.00 130.80 1mhw s PRO 2 Ca 0.00 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1mhw s PRO 2 Cb 0.00 -1.83 0.36 0.00 0.04 0.00 0.00 34.50 33.07 1mhw s PRO 2 CO 0.00 -2.07 1.72 -0.09 0.04 0.00 0.00 177.00 176.60 1mhw h ARG 3 N -1.44 0.62 -4.13 4.56 9.65 -2.02 -3.45 114.38 118.17 1mhw h ARG 3 Ca -0.44 -0.21 -0.24 0.00 -1.10 0.00 0.00 59.98 57.98 1mhw h ARG 3 Cb 1.25 -0.05 -0.24 0.00 -1.39 0.00 0.00 29.97 29.54 1mhw h ARG 3 CO 0.49 0.76 -0.72 -1.12 2.80 0.00 0.00 179.97 182.17 1mhw s SER 4 N -6.75 0.41 -0.05 -3.80 0.01 -1.26 -4.42 113.70 97.84 1mhw s SER 4 Ca -0.08 -0.30 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 1mhw s SER 4 Cb 0.14 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1mhw s SER 4 CO 0.80 -0.12 0.11 -0.69 0.41 0.00 0.00 173.24 173.75 1mhw s VAL 5 N -0.79 -0.02 -0.35 3.43 1.01 -0.04 -4.96 120.40 118.69 1mhw s VAL 5 Ca -0.07 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1mhw s VAL 5 Cb -0.06 -0.18 0.15 0.00 0.00 0.00 0.00 36.38 36.30 1mhw s VAL 5 CO -0.00 0.03 0.35 -0.62 0.00 0.00 0.00 175.10 174.86 1mhw s ASP 6 N 0.45 1.35 0.55 3.32 -1.08 -1.26 -0.72 116.67 119.28 1mhw s ASP 6 Ca -0.03 -1.41 0.37 0.00 -0.52 0.00 0.00 52.55 50.96 1mhw s ASP 6 Cb -0.05 0.51 1.99 0.00 -1.46 0.00 0.00 42.92 43.92 1mhw s ASP 6 CO -0.02 -0.29 2.13 -0.50 0.52 0.00 0.00 175.17 177.00 1mhw h TRP 7 N 7.35 0.00 -0.60 -5.34 4.06 -1.37 -1.90 115.95 118.15 1mhw h TRP 7 Ca 0.01 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1mhw h TRP 7 Cb 1.06 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.19 1mhw h TRP 7 CO 0.32 0.00 0.25 0.00 -3.56 0.00 0.00 178.44 175.45 1mhw h ARG 8 N 0.00 0.86 0.00 0.49 3.08 -1.95 -1.95 114.38 114.91 1mhw h ARG 8 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1mhw h ARG 8 Cb 0.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1mhw h ARG 8 CO 0.00 0.70 0.00 0.93 -1.07 0.00 0.00 179.97 180.53 1mhw h GLU 9 N 0.86 0.00 -0.23 0.04 5.08 -1.74 -2.38 114.58 116.21 1mhw h GLU 9 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1mhw h GLU 9 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1mhw h GLU 9 CO -0.02 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 1mhw n LYS 10 N -2.31 2.15 -0.83 2.33 4.76 -0.75 -4.98 118.16 118.53 1mhw n LYS 10 Ca 0.01 -1.98 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 1mhw n LYS 10 Cb 0.18 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1mhw n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mhw n GLY 11 N 1.22 0.51 0.07 0.72 0.00 -0.89 -4.96 105.19 101.85 1mhw n GLY 11 Ca 0.15 -0.63 0.14 0.00 0.00 0.00 0.00 46.02 45.68 1mhw n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mhw n TYR 12 N -2.83 0.00 -4.82 1.61 4.02 -1.08 -4.77 117.16 109.29 1mhw n TYR 12 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1mhw n TYR 12 Cb 0.00 -0.27 -0.17 0.00 -0.02 0.00 0.00 39.34 38.89 1mhw n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1mhw s VAL 13 N -2.68 1.47 0.77 -0.72 1.01 -1.26 -3.56 120.40 115.42 1mhw s VAL 13 Ca 0.23 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1mhw s VAL 13 Cb 0.19 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1mhw s VAL 13 CO 0.52 0.43 1.11 0.42 0.00 0.00 0.00 175.10 177.59 1mhw s THR 14 N 0.54 2.99 0.97 3.92 -4.23 -1.26 -5.00 115.64 113.57 1mhw s THR 14 Ca -0.16 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1mhw s THR 14 Cb -0.17 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.62 1mhw s THR 14 CO 0.06 -0.42 1.10 -2.84 -0.54 0.00 0.00 174.62 171.97 1mhw s PRO 15 N -5.33 0.59 0.28 3.99 0.02 -1.26 -4.92 135.00 128.37 1mhw s PRO 15 Ca 0.60 1.21 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 1mhw s PRO 15 Cb -0.12 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 1mhw s PRO 15 CO 0.52 -2.82 1.58 0.08 -0.33 0.00 0.00 177.00 176.03 1mhw s VAL 16 N -2.66 2.14 0.53 3.83 1.01 -1.26 -5.02 120.40 118.97 1mhw s VAL 16 Ca 0.66 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.83 1mhw s VAL 16 Cb -0.22 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1mhw s VAL 16 CO 0.60 0.02 0.49 -0.54 0.00 0.00 0.00 175.10 175.66 1mhw s LYS 17 N -0.43 2.32 -0.19 2.72 1.02 -1.26 -5.13 119.74 118.79 1mhw s LYS 17 Ca 0.63 -1.85 -0.02 0.00 0.02 0.00 0.00 55.97 54.75 1mhw s LYS 17 Cb -0.47 -2.27 0.06 0.00 -0.52 0.00 0.00 37.83 34.63 1mhw s LYS 17 CO 0.47 -0.59 0.02 1.21 -0.92 0.00 0.00 175.35 175.53 1mhw s ASN 18 N -4.34 2.96 0.51 2.83 3.84 -1.26 -5.00 114.94 114.47 1mhw s ASN 18 Ca 0.43 -0.82 0.31 0.00 0.21 0.00 0.00 52.86 52.99 1mhw s ASN 18 Cb -0.03 -0.68 1.19 0.00 -0.55 0.00 0.00 41.25 41.17 1mhw s ASN 18 CO 0.26 -0.28 1.91 0.06 -2.79 0.00 0.00 177.10 176.26 1mhw h GLN 19 N 8.20 0.00 0.00 0.43 3.07 -1.97 -3.49 115.11 121.35 1mhw h GLN 19 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 1mhw h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1mhw h GLN 19 CO 0.35 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.68 1mhw n GLY 20 N 0.20 0.40 2.68 0.06 0.00 -1.26 -3.87 105.19 103.39 1mhw n GLY 20 Ca 0.01 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1mhw n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mhw n GLN 21 N 0.00 3.09 -3.66 1.61 7.27 -1.26 -4.78 117.38 119.66 1mhw n GLN 21 Ca 0.00 -2.66 -0.10 0.00 0.07 0.00 0.00 57.00 54.32 1mhw n GLN 21 Cb 0.00 -3.17 -0.08 0.00 2.41 0.00 0.00 30.24 29.40 1mhw n GLN 21 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1mhw n GLY 23 N 3.89 3.93 3.25 0.00 0.00 0.10 -4.94 105.19 111.42 1mhw n GLY 23 Ca -0.19 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1mhw n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mhw s SER 24 N 2.04 6.13 0.00 1.61 1.04 -1.26 -3.00 113.70 120.26 1mhw s SER 24 Ca 0.69 -2.44 0.00 0.00 0.48 0.00 0.00 55.95 54.67 1mhw s SER 24 Cb 0.22 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1mhw s SER 24 CO -0.05 -0.59 0.00 -2.67 0.98 0.00 0.00 173.24 170.91 1mhw n TRP 26 N 4.23 0.00 -0.03 5.02 4.27 -1.26 -2.38 117.44 127.29 1mhw n TRP 26 Ca 0.04 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.49 1mhw n TRP 26 Cb 0.43 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.30 1mhw n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mhw h ALA 27 N 0.00 0.28 -0.56 -1.67 0.00 -1.91 -1.60 119.26 113.80 1mhw h ALA 27 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1mhw h ALA 27 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1mhw h ALA 27 CO 0.00 0.57 0.04 0.74 0.00 0.00 0.00 179.25 180.60 1mhw h PHE 28 N 0.40 1.00 -0.70 0.00 -1.00 -1.84 0.14 116.94 114.95 1mhw h PHE 28 Ca -0.04 -0.14 -0.07 0.00 2.81 0.00 0.00 57.97 60.53 1mhw h PHE 28 Cb 1.28 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 40.54 1mhw h PHE 28 CO 0.09 0.88 0.15 1.03 -1.61 0.00 0.00 178.31 178.86 1mhw h SER 29 N 0.88 1.08 -0.15 2.17 0.87 -1.79 -1.68 113.55 114.92 1mhw h SER 29 Ca 0.17 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1mhw h SER 29 Cb 0.46 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1mhw h SER 29 CO 0.02 1.04 -0.02 0.00 -0.53 0.00 0.00 176.83 177.34 1mhw h ALA 30 N 1.07 0.21 -0.63 6.23 0.00 -0.89 -2.27 119.26 122.98 1mhw h ALA 30 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1mhw h ALA 30 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1mhw h ALA 30 CO 0.01 -0.05 0.28 1.79 0.00 0.00 0.00 179.25 181.27 1mhw h THR 31 N -0.00 1.21 -0.34 0.00 1.35 -0.69 -1.37 112.91 113.07 1mhw h THR 31 Ca 0.04 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1mhw h THR 31 Cb 0.44 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 1mhw h THR 31 CO 0.01 0.26 0.21 1.23 -0.25 0.00 0.00 175.52 176.99 1mhw h GLY 32 N 0.99 0.49 1.04 5.82 0.00 -1.21 0.57 103.07 110.76 1mhw h GLY 32 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1mhw h GLY 32 CO -0.02 0.19 0.04 0.00 0.00 0.00 0.00 176.54 176.74 1mhw h ALA 33 N 1.10 0.77 -0.29 3.60 0.00 -1.09 -1.87 119.26 121.48 1mhw h ALA 33 Ca 0.12 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1mhw h ALA 33 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mhw h ALA 33 CO -0.02 0.56 -0.42 1.25 0.00 0.00 0.00 179.25 180.61 1mhw h LEU 34 N 0.87 0.76 -0.62 0.00 6.46 -0.97 -1.36 115.31 120.45 1mhw h LEU 34 Ca 0.17 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1mhw h LEU 34 Cb 0.49 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1mhw h LEU 34 CO 0.02 1.08 0.39 -0.33 -0.62 0.00 0.00 178.44 178.98 1mhw h GLU 35 N 0.58 0.74 -0.32 1.25 5.08 0.30 0.13 114.58 122.33 1mhw h GLU 35 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1mhw h GLU 35 Cb 0.97 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1mhw h GLU 35 CO 0.09 0.49 0.10 0.78 -1.00 0.00 0.00 179.01 179.47 1mhw h GLY 36 N 0.77 0.54 1.25 -3.84 0.00 -1.08 -1.83 103.07 98.87 1mhw h GLY 36 Ca 0.25 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1mhw h GLY 36 CO -0.10 0.30 -0.22 1.46 0.00 0.00 0.00 176.54 177.99 1mhw h GLN 37 N 0.36 0.86 -0.62 4.80 1.08 -1.00 -1.56 115.11 119.04 1mhw h GLN 37 Ca 0.10 -0.35 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 1mhw h GLN 37 Cb 0.26 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1mhw h GLN 37 CO -0.00 1.00 0.13 0.52 -0.95 0.00 0.00 178.83 179.52 1mhw h MET 38 N 0.75 0.99 -0.51 1.46 2.86 -0.70 -1.65 114.93 118.13 1mhw h MET 38 Ca 0.10 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1mhw h MET 38 Cb 0.75 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1mhw h MET 38 CO 0.06 0.89 0.10 0.35 1.06 0.00 0.00 176.91 179.38 1mhw h PHE 39 N 0.94 0.87 -0.86 -0.22 3.57 -1.14 0.25 116.94 120.35 1mhw h PHE 39 Ca 0.20 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1mhw h PHE 39 Cb 0.36 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1mhw h PHE 39 CO 0.02 0.78 0.57 -0.09 -2.23 0.00 0.00 178.31 177.37 1mhw h ARG 40 N 0.71 1.06 0.11 1.11 2.43 -1.04 0.44 114.38 119.19 1mhw h ARG 40 Ca 0.16 -0.06 -0.29 0.00 -0.81 0.00 0.00 59.98 58.97 1mhw h ARG 40 Cb 0.36 -0.24 0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1mhw h ARG 40 CO 0.01 0.70 -1.22 -0.22 -1.51 0.00 0.00 179.97 177.73 1mhw h LYS 41 N 1.09 0.61 0.00 0.20 3.64 -0.92 -3.40 116.57 117.80 1mhw h LYS 41 Ca 0.34 -0.80 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1mhw h LYS 41 Cb -0.00 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mhw h LYS 41 CO -0.10 1.36 -1.07 0.25 -2.27 0.00 0.00 179.45 177.63 1mhw n THR 42 N -3.78 0.00 -0.90 1.00 -2.24 0.86 -5.00 114.28 104.21 1mhw n THR 42 Ca -0.13 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1mhw n THR 42 Cb 0.97 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1mhw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mhw n GLY 43 N 1.99 0.66 3.23 3.38 0.00 0.15 -5.02 105.19 109.58 1mhw n GLY 43 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1mhw n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mhw s ARG 44 N -0.10 3.15 -0.44 1.61 0.52 -1.26 -5.02 118.95 117.42 1mhw s ARG 44 Ca 0.00 -0.77 -0.20 0.00 -0.52 0.00 0.00 55.73 54.24 1mhw s ARG 44 Cb 0.00 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.89 1mhw s ARG 44 CO 0.00 -0.04 0.58 -1.17 0.02 0.00 0.00 175.30 174.69 1mhw s LEU 45 N 0.93 4.64 -0.14 2.53 2.96 -1.26 -3.81 118.68 124.54 1mhw s LEU 45 Ca -0.03 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1mhw s LEU 45 Cb -0.15 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1mhw s LEU 45 CO -0.03 -0.72 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.53 1mhw s ILE 46 N 2.59 1.42 0.19 6.68 1.01 -1.26 -5.10 121.20 126.73 1mhw s ILE 46 Ca 0.19 -0.54 -0.32 0.00 0.00 0.00 0.00 60.65 59.98 1mhw s ILE 46 Cb -0.15 -1.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.85 1mhw s ILE 46 CO 0.17 0.43 1.76 -0.55 0.00 0.00 0.00 174.94 176.75 1mhw s SER 47 N 1.50 6.39 0.21 3.58 0.15 -1.26 -4.83 113.70 119.44 1mhw s SER 47 Ca 0.04 2.84 0.03 0.00 0.70 0.00 0.00 55.95 59.57 1mhw s SER 47 Cb -0.13 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1mhw s SER 47 CO -0.09 -0.99 0.35 -0.76 1.20 0.00 0.00 173.24 172.95 1mhw s LEU 48 N 1.62 4.30 -0.49 3.45 1.43 -1.26 -0.08 118.68 127.65 1mhw s LEU 48 Ca 0.77 0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 1mhw s LEU 48 Cb -0.49 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 42.83 1mhw s LEU 48 CO 0.33 -0.04 1.01 -0.55 0.23 0.00 0.00 176.35 177.34 1mhw s SER 49 N -3.65 6.50 0.22 2.29 0.15 -0.44 -4.04 113.70 114.73 1mhw s SER 49 Ca 0.35 0.14 -0.02 0.00 0.70 0.00 0.00 55.95 57.12 1mhw s SER 49 Cb -0.10 -2.49 0.20 0.00 -1.71 0.00 0.00 66.02 61.92 1mhw s SER 49 CO 0.29 -1.18 1.58 -0.33 1.20 0.00 0.00 173.24 174.80 1mhw h GLU 50 N 9.21 0.57 -0.77 5.44 3.07 -1.89 -3.04 114.58 127.17 1mhw h GLU 50 Ca -0.24 -0.30 0.04 0.00 -0.50 0.00 0.00 59.36 58.36 1mhw h GLU 50 Cb 1.07 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.94 1mhw h GLU 50 CO 1.08 0.89 0.51 0.37 -1.40 0.00 0.00 179.01 180.46 1mhw h GLN 51 N 0.47 0.89 -0.57 2.33 5.75 -1.85 0.13 115.11 122.26 1mhw h GLN 51 Ca 0.04 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1mhw h GLN 51 Cb 0.92 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.23 1mhw h GLN 51 CO 0.08 0.59 0.34 -0.97 -2.65 0.00 0.00 178.83 176.22 1mhw h ASN 52 N 0.92 0.54 -0.16 -0.69 -0.00 -1.78 0.14 115.58 114.55 1mhw h ASN 52 Ca 0.31 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.58 1mhw h ASN 52 Cb 0.09 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.30 1mhw h ASN 52 CO -0.10 0.38 -0.06 -0.07 -0.00 0.00 0.00 177.43 177.59 1mhw h LEU 53 N 0.67 0.33 -0.53 0.34 3.38 -1.28 -1.34 115.31 116.89 1mhw h LEU 53 Ca 0.23 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1mhw h LEU 53 Cb 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1mhw h LEU 53 CO -0.11 0.64 0.27 0.58 0.09 0.00 0.00 178.44 179.92 1mhw h VAL 54 N 0.02 0.96 0.00 1.22 2.07 -0.48 -1.81 116.25 118.23 1mhw h VAL 54 Ca 0.04 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 1mhw h VAL 54 Cb 0.51 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1mhw h VAL 54 CO 0.02 0.10 -0.92 0.44 0.02 0.00 0.00 177.57 177.23 1mhw h ASP 55 N 0.53 0.00 0.00 0.57 3.32 -0.72 -3.38 116.42 116.73 1mhw h ASP 55 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1mhw h ASP 55 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1mhw h ASP 55 CO -0.16 0.92 -0.61 0.00 -1.72 0.00 0.00 179.24 177.67 1mhw n SER 57 N -1.33 3.75 -0.33 0.00 3.41 -0.69 -4.35 113.62 114.08 1mhw n SER 57 Ca 0.01 -2.59 -0.04 0.00 -0.26 0.00 0.00 58.87 55.98 1mhw n SER 57 Cb 0.14 -0.62 0.08 0.00 -0.26 0.00 0.00 64.21 63.55 1mhw n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1mhw h GLY 58 N 4.18 1.32 1.87 5.00 0.00 -1.83 -2.52 103.07 111.09 1mhw h GLY 58 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1mhw h GLY 58 CO 0.33 0.58 0.05 -2.55 0.00 0.00 0.00 176.54 174.96 1mhw h PRO 59 N 1.23 0.00 -0.01 4.80 0.11 -1.87 0.12 132.00 136.38 1mhw h PRO 59 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1mhw h PRO 59 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1mhw h PRO 59 CO -0.05 0.00 -0.02 1.04 -0.21 0.00 0.00 178.00 178.76 1mhw n GLN 60 N -3.89 1.42 0.00 1.05 3.00 -0.98 -4.93 117.38 113.05 1mhw n GLN 60 Ca -0.02 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 1mhw n GLN 60 Cb 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.90 1mhw n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mhw n GLY 61 N 1.15 0.77 3.84 1.08 0.00 0.42 -4.79 105.19 107.66 1mhw n GLY 61 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1mhw n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mhw s ASN 62 N -1.74 6.68 -0.34 1.61 0.01 -1.02 -4.89 114.94 115.24 1mhw s ASN 62 Ca 0.00 1.54 0.06 0.00 -0.71 0.00 0.00 52.86 53.74 1mhw s ASN 62 Cb 0.00 -2.49 0.46 0.00 0.41 0.00 0.00 41.25 39.63 1mhw s ASN 62 CO 0.00 -0.51 1.31 -0.62 -1.51 0.00 0.00 177.10 175.77 1mhw n GLU 63 N -1.34 3.49 0.00 -0.60 1.02 0.99 -4.14 120.64 120.06 1mhw n GLU 63 Ca 0.06 -4.05 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 1mhw n GLU 63 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1mhw n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mhw n GLY 64 N -0.74 3.40 0.00 0.62 0.00 -1.22 -0.43 105.19 106.82 1mhw n GLY 64 Ca 0.47 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.74 1mhw n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mhw n ASN 66 N -1.50 2.57 0.00 0.00 3.02 0.43 -0.72 115.26 119.06 1mhw n ASN 66 Ca 0.04 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1mhw n ASN 66 Cb 0.21 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1mhw n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mhw n GLY 67 N 1.28 2.19 0.00 7.41 0.00 -1.03 -4.84 105.19 110.19 1mhw n GLY 67 Ca 0.16 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1mhw n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mhw n GLY 68 N -0.64 -1.51 3.19 -0.02 0.00 -1.26 -0.01 105.19 104.94 1mhw n GLY 68 Ca 0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1mhw n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mhw s LEU 69 N 0.00 2.14 0.29 0.99 1.43 -1.26 -4.77 118.68 117.49 1mhw s LEU 69 Ca 0.00 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1mhw s LEU 69 Cb 0.00 -0.82 0.41 0.00 0.03 0.00 0.00 46.19 45.82 1mhw s LEU 69 CO 0.00 0.12 1.96 0.24 0.23 0.00 0.00 176.35 178.91 1mhw h MET 70 N 5.08 1.13 -0.31 1.70 2.86 -2.00 -2.00 114.93 121.39 1mhw h MET 70 Ca -0.40 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1mhw h MET 70 Cb 1.17 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1mhw h MET 70 CO 0.45 0.75 -0.01 -0.44 1.06 0.00 0.00 176.91 178.71 1mhw h ASP 71 N 1.16 0.44 -0.14 1.22 3.32 -1.96 0.05 116.42 120.51 1mhw h ASP 71 Ca 0.31 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1mhw h ASP 71 Cb -0.13 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1mhw h ASP 71 CO -0.07 0.52 -0.21 1.88 -1.72 0.00 0.00 179.24 179.64 1mhw h TYR 72 N 0.46 0.63 -0.30 4.55 0.05 -1.69 -0.08 116.97 120.59 1mhw h TYR 72 Ca 0.10 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1mhw h TYR 72 Cb 0.32 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1mhw h TYR 72 CO 0.01 0.74 -0.09 0.00 -1.05 0.00 0.00 178.16 177.77 1mhw h ALA 73 N 1.27 0.41 -0.88 3.88 0.00 -0.66 -0.99 119.26 122.28 1mhw h ALA 73 Ca 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mhw h ALA 73 Cb 0.64 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1mhw h ALA 73 CO 0.05 0.25 0.54 0.74 0.00 0.00 0.00 179.25 180.83 1mhw h PHE 74 N 0.34 1.16 -0.61 0.00 0.04 -0.79 -1.25 116.94 115.84 1mhw h PHE 74 Ca 0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1mhw h PHE 74 Cb 0.59 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1mhw h PHE 74 CO 0.05 0.76 0.26 0.37 -0.60 0.00 0.00 178.31 179.16 1mhw h GLN 75 N 1.22 0.90 0.11 1.51 5.75 -0.82 -2.42 115.11 121.35 1mhw h GLN 75 Ca 0.32 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1mhw h GLN 75 Cb -0.06 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.33 1mhw h GLN 75 CO -0.06 0.75 -0.08 -0.92 -2.65 0.00 0.00 178.83 175.87 1mhw h TYR 76 N 0.84 -0.19 -0.73 3.99 3.20 -0.43 0.11 116.97 123.76 1mhw h TYR 76 Ca 0.20 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.22 1mhw h TYR 76 Cb 0.17 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.42 1mhw h TYR 76 CO 0.01 -0.12 0.24 0.28 -1.64 0.00 0.00 178.16 176.93 1mhw h VAL 77 N -0.19 0.61 0.04 1.81 2.07 -1.08 0.33 116.25 119.83 1mhw h VAL 77 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1mhw h VAL 77 Cb 0.16 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1mhw h VAL 77 CO -0.00 0.07 -0.02 -0.61 0.02 0.00 0.00 177.57 177.03 1mhw h GLN 78 N 0.37 -0.05 -0.66 1.57 4.15 -1.15 -1.28 115.11 118.06 1mhw h GLN 78 Ca 0.40 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.86 1mhw h GLN 78 Cb 0.64 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 1mhw h GLN 78 CO -0.44 0.27 0.41 -0.44 -1.93 0.00 0.00 178.83 176.70 1mhw h ASP 79 N -0.37 0.66 1.08 -0.69 3.32 -0.11 -2.76 116.42 117.55 1mhw h ASP 79 Ca -0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1mhw h ASP 79 Cb 0.34 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1mhw h ASP 79 CO 0.01 0.45 -0.14 -1.13 -1.72 0.00 0.00 179.24 176.71 1mhw h ASN 80 N 0.79 0.00 -0.30 6.45 -1.24 -0.38 -3.47 115.58 117.44 1mhw h ASN 80 Ca 0.27 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.21 1mhw h ASN 80 Cb 0.05 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1mhw h ASN 80 CO -0.12 0.14 -0.08 0.61 -1.29 0.00 0.00 177.43 176.70 1mhw n GLY 81 N 0.25 0.51 0.00 1.57 0.00 -0.55 -4.97 105.19 102.00 1mhw n GLY 81 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1mhw n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mhw n GLY 82 N -2.00 1.88 3.21 -0.02 0.00 -0.81 -4.97 105.19 102.48 1mhw n GLY 82 Ca -0.04 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 1mhw n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mhw s LEU 83 N 0.00 0.00 0.63 0.99 2.96 -0.93 -4.65 118.68 117.69 1mhw s LEU 83 Ca 0.00 0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 54.56 1mhw s LEU 83 Cb 0.00 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 47.85 1mhw s LEU 83 CO 0.00 -0.19 1.07 -1.81 -1.32 0.00 0.00 176.35 174.10 1mhw s ASP 84 N 1.45 5.53 0.63 3.68 1.01 -1.26 -1.28 116.67 126.42 1mhw s ASP 84 Ca -0.09 1.84 -0.16 0.00 0.71 0.00 0.00 52.55 54.85 1mhw s ASP 84 Cb -0.09 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1mhw s ASP 84 CO -0.12 -1.34 1.11 -0.94 0.21 0.00 0.00 175.17 174.09 1mhw s SER 85 N -2.87 5.30 0.25 0.27 1.04 -1.08 -1.32 113.70 115.28 1mhw s SER 85 Ca 0.64 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 59.05 1mhw s SER 85 Cb -0.17 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.79 1mhw s SER 85 CO 0.41 -1.50 1.84 -0.08 0.98 0.00 0.00 173.24 174.88 1mhw h GLU 86 N 0.32 0.90 -0.65 4.02 4.57 -0.63 -2.18 114.58 120.93 1mhw h GLU 86 Ca -0.47 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.61 1mhw h GLU 86 Cb 1.25 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1mhw h GLU 86 CO 0.55 0.60 0.25 1.49 -1.18 0.00 0.00 179.01 180.72 1mhw h GLU 87 N 0.93 0.96 0.00 1.92 4.22 -1.92 -2.69 114.58 118.00 1mhw h GLU 87 Ca 0.41 -0.16 -0.06 0.00 0.08 0.00 0.00 59.36 59.62 1mhw h GLU 87 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1mhw h GLU 87 CO -0.21 0.79 -0.29 0.66 -2.18 0.00 0.00 179.01 177.78 1mhw h SER 88 N 0.95 0.00 -2.12 1.04 4.64 -1.79 -3.38 113.55 112.89 1mhw h SER 88 Ca 0.22 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.98 1mhw h SER 88 Cb 0.20 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.91 1mhw h SER 88 CO -0.02 0.29 -1.02 0.00 -0.87 0.00 0.00 176.83 175.21 1mhw n TYR 89 N -3.20 -0.79 -1.59 4.77 4.19 -0.92 -5.01 117.16 114.61 1mhw n TYR 89 Ca 0.02 -3.35 -0.38 0.00 3.31 0.00 0.00 57.90 57.50 1mhw n TYR 89 Cb 0.62 0.03 0.05 0.00 0.49 0.00 0.00 39.34 40.53 1mhw n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1mhw n PRO 90 N 2.15 0.88 -2.65 2.98 -0.02 -1.03 -4.51 135.00 132.80 1mhw n PRO 90 Ca 0.25 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1mhw n PRO 90 Cb 0.51 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1mhw n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mhw s TYR 91 N -1.52 3.64 -0.54 6.00 5.04 -1.26 -4.72 117.35 123.99 1mhw s TYR 91 Ca 0.73 1.64 0.07 0.00 -2.44 0.00 0.00 57.07 57.07 1mhw s TYR 91 Cb -0.44 -3.17 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 1mhw s TYR 91 CO 0.49 -0.22 0.45 0.39 -1.34 0.00 0.00 175.55 175.32 1mhw n GLU 92 N 3.67 3.08 -2.15 4.97 -0.58 -1.26 -5.01 120.64 123.35 1mhw n GLU 92 Ca 0.06 -0.34 -0.19 0.00 -0.42 0.00 0.00 57.16 56.26 1mhw n GLU 92 Cb 0.50 -0.93 -0.03 0.00 -0.57 0.00 0.00 31.44 30.41 1mhw n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mhw n ALA 93 N -0.58 -0.49 -3.47 0.62 0.00 -1.26 -4.96 120.51 110.36 1mhw n ALA 93 Ca 0.02 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 1mhw n ALA 93 Cb 0.13 -2.03 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1mhw n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1mhw s THR 94 N -2.89 0.01 -0.01 0.00 -1.32 -1.26 -4.54 115.64 105.62 1mhw s THR 94 Ca 0.00 -0.09 -0.26 0.00 -1.21 0.00 0.00 61.69 60.13 1mhw s THR 94 Cb 0.00 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1mhw s THR 94 CO 0.00 -0.05 0.80 -0.70 -2.21 0.00 0.00 174.62 172.47 1mhw s GLU 95 N -1.15 4.50 0.38 7.08 2.12 -1.26 -4.95 118.70 125.43 1mhw s GLU 95 Ca -0.11 1.10 0.05 0.00 0.36 0.00 0.00 54.97 56.37 1mhw s GLU 95 Cb -0.01 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1mhw s GLU 95 CO 0.09 0.09 0.17 -1.21 -0.54 0.00 0.00 175.26 173.86 1mhw s GLU 96 N 0.62 1.87 0.55 4.30 2.02 -1.26 -5.08 118.70 121.73 1mhw s GLU 96 Ca 0.42 -2.13 -0.21 0.00 0.02 0.00 0.00 54.97 53.07 1mhw s GLU 96 Cb -0.20 -0.31 -0.05 0.00 0.10 0.00 0.00 34.13 33.67 1mhw s GLU 96 CO 0.23 -0.54 1.28 -1.13 0.02 0.00 0.00 175.26 175.12 1mhw n SER 97 N -1.37 2.30 -4.67 -0.19 3.41 -1.26 -4.58 113.62 107.26 1mhw n SER 97 Ca -0.02 0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 59.12 1mhw n SER 97 Cb 0.64 -1.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 1mhw n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mhw n LYS 99 N 6.84 1.58 -1.67 0.00 4.01 -1.26 -5.03 118.16 122.63 1mhw n LYS 99 Ca 0.18 -3.27 -0.47 0.00 -0.51 0.00 0.00 58.31 54.24 1mhw n LYS 99 Cb 0.42 -1.62 -0.04 0.00 -0.51 0.00 0.00 35.03 33.28 1mhw n LYS 99 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1mhw n TYR 100 N -1.14 2.24 -3.98 2.13 9.36 -1.26 -4.97 117.16 119.55 1mhw n TYR 100 Ca 0.19 0.26 -0.31 0.00 3.32 0.00 0.00 57.90 61.36 1mhw n TYR 100 Cb 0.70 -2.55 -0.15 0.00 -0.63 0.00 0.00 39.34 36.71 1mhw n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1mhw s ASN 101 N 1.26 4.15 0.48 2.98 3.84 -1.26 -5.01 114.94 121.38 1mhw s ASN 101 Ca 0.81 -1.37 0.29 0.00 0.21 0.00 0.00 52.86 52.80 1mhw s ASN 101 Cb -0.69 -1.33 1.37 0.00 -0.55 0.00 0.00 41.25 40.05 1mhw s ASN 101 CO 0.40 -0.24 1.77 -0.65 -2.79 0.00 0.00 177.10 175.59 1mhw h PRO 102 N 7.87 0.15 -0.18 0.43 0.11 -1.99 -0.41 132.00 137.98 1mhw h PRO 102 Ca -0.17 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.98 1mhw h PRO 102 Cb 1.05 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1mhw h PRO 102 CO 0.44 0.10 0.13 -0.22 -0.21 0.00 0.00 178.00 178.24 1mhw h LYS 103 N 0.16 0.07 -0.49 1.05 3.64 -2.02 -2.21 116.57 116.76 1mhw h LYS 103 Ca 0.61 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1mhw h LYS 103 Cb 2.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1mhw h LYS 103 CO -0.15 0.04 0.00 0.66 -2.27 0.00 0.00 179.45 177.73 1mhw n TYR 104 N -4.49 1.49 -2.24 1.91 4.01 -0.16 -4.98 117.16 112.69 1mhw n TYR 104 Ca 0.01 -0.72 -0.41 0.00 -0.16 0.00 0.00 57.90 56.61 1mhw n TYR 104 Cb 0.22 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 1mhw n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1mhw s SER 105 N -1.16 6.91 0.00 7.72 0.15 -0.84 -2.63 113.70 123.86 1mhw s SER 105 Ca 0.48 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1mhw s SER 105 Cb 0.35 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1mhw s SER 105 CO 0.16 -0.53 0.42 1.33 1.20 0.00 0.00 173.24 175.82 1mhw n VAL 106 N 2.93 0.14 -3.78 4.45 0.24 -0.40 -4.92 118.33 116.98 1mhw n VAL 106 Ca 0.07 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 1mhw n VAL 106 Cb 0.43 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 1mhw n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mhw s ALA 107 N -0.14 -0.53 0.17 2.33 0.00 -1.21 -5.02 121.76 117.36 1mhw s ALA 107 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1mhw s ALA 107 Cb 0.00 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1mhw s ALA 107 CO 0.00 -0.49 0.40 -0.80 0.00 0.00 0.00 175.76 174.87 1mhw s ASN 108 N -2.52 -0.13 0.13 0.00 -0.87 -1.26 -2.18 114.94 108.11 1mhw s ASN 108 Ca 0.00 -0.60 -0.12 0.00 -1.57 0.00 0.00 52.86 50.57 1mhw s ASN 108 Cb 0.02 0.50 0.01 0.00 -0.02 0.00 0.00 41.25 41.76 1mhw s ASN 108 CO -0.08 -0.94 0.32 1.51 -2.57 0.00 0.00 177.10 175.34 1mhw s ASP 109 N -2.89 -0.07 -0.32 -1.22 1.47 -1.26 -4.99 116.67 107.38 1mhw s ASP 109 Ca 0.10 -0.54 0.07 0.00 1.18 0.00 0.00 52.55 53.36 1mhw s ASP 109 Cb 0.01 0.43 0.50 0.00 -0.34 0.00 0.00 42.92 43.52 1mhw s ASP 109 CO -0.04 -0.84 1.47 0.35 0.68 0.00 0.00 175.17 176.80 1mhw n THR 110 N -0.18 2.65 0.00 2.11 -2.24 -1.26 -4.08 114.28 111.28 1mhw n THR 110 Ca -0.14 -3.01 0.00 0.00 -2.27 0.00 0.00 64.05 58.63 1mhw n THR 110 Cb 0.63 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1mhw n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mhw n GLY 111 N -1.05 0.38 3.58 3.38 0.00 -1.26 -5.08 105.19 105.13 1mhw n GLY 111 Ca 0.38 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1mhw n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhw s PHE 112 N -0.10 0.03 -0.12 1.61 -0.71 -1.26 -4.85 117.98 112.58 1mhw s PHE 112 Ca 0.00 -0.40 0.01 0.00 -1.04 0.00 0.00 56.93 55.50 1mhw s PHE 112 Cb 0.00 0.35 0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1mhw s PHE 112 CO 0.00 -0.97 -0.15 0.08 -1.34 0.00 0.00 175.22 172.84 1mhw s VAL 113 N -3.92 1.49 -0.26 -2.49 1.01 -1.26 -5.11 120.40 109.85 1mhw s VAL 113 Ca 0.13 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1mhw s VAL 113 Cb -0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1mhw s VAL 113 CO 0.02 0.44 0.47 -1.81 0.00 0.00 0.00 175.10 174.22 1mhw s ASP 114 N 1.10 6.39 0.31 3.32 1.01 -1.26 -5.07 116.67 122.47 1mhw s ASP 114 Ca -0.04 0.46 -0.28 0.00 0.71 0.00 0.00 52.55 53.40 1mhw s ASP 114 Cb -0.14 -2.26 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 1mhw s ASP 114 CO -0.03 -0.25 1.03 -0.63 0.21 0.00 0.00 175.17 175.49 1mhw s ILE 115 N 2.21 3.78 0.58 0.77 1.01 -1.26 -5.00 121.20 123.29 1mhw s ILE 115 Ca 0.19 1.62 -0.18 0.00 0.00 0.00 0.00 60.65 62.28 1mhw s ILE 115 Cb -0.16 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 1mhw s ILE 115 CO 0.09 0.26 0.75 -2.65 0.00 0.00 0.00 174.94 173.39 1mhw n PRO 116 N 0.81 0.71 -1.24 2.79 -0.02 -1.26 -4.80 135.00 131.99 1mhw n PRO 116 Ca 0.01 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 1mhw n PRO 116 Cb 0.47 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1mhw n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mhw n LYS 117 N -0.53 3.51 -3.85 -0.52 5.02 -1.26 -4.62 118.16 115.91 1mhw n LYS 117 Ca 0.13 -2.11 -0.12 0.00 -2.02 0.00 0.00 58.31 54.18 1mhw n LYS 117 Cb 0.47 -2.76 -0.14 0.00 -0.02 0.00 0.00 35.03 32.59 1mhw n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1mhw s GLN 118 N 2.32 0.04 0.44 1.97 1.11 -1.26 -5.05 119.66 119.24 1mhw s GLN 118 Ca 0.66 0.06 0.11 0.00 0.01 0.00 0.00 55.36 56.21 1mhw s GLN 118 Cb 0.17 0.01 0.99 0.00 -1.01 0.00 0.00 33.01 33.17 1mhw s GLN 118 CO -0.06 -0.01 2.04 0.93 0.01 0.00 0.00 175.29 178.20 1mhw h GLU 119 N 6.13 0.22 -0.65 2.91 5.08 -1.99 -0.34 114.58 125.94 1mhw h GLU 119 Ca -0.25 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1mhw h GLU 119 Cb 1.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1mhw h GLU 119 CO 0.48 0.23 0.16 -0.22 -1.00 0.00 0.00 179.01 178.66 1mhw h LYS 120 N 0.22 1.04 -0.28 2.33 3.64 -1.96 0.82 116.57 122.38 1mhw h LYS 120 Ca 0.05 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 1mhw h LYS 120 Cb 0.12 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1mhw h LYS 120 CO -0.00 0.94 -0.41 0.00 -2.27 0.00 0.00 179.45 177.71 1mhw h ALA 121 N 1.06 0.76 -0.82 5.00 0.00 -1.64 -1.92 119.26 121.70 1mhw h ALA 121 Ca 0.20 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1mhw h ALA 121 Cb 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1mhw h ALA 121 CO 0.00 0.66 0.36 1.25 0.00 0.00 0.00 179.25 181.52 1mhw h LEU 122 N 0.55 1.10 -0.51 0.00 5.85 -0.78 -1.18 115.31 120.33 1mhw h LEU 122 Ca 0.04 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1mhw h LEU 122 Cb 0.94 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1mhw h LEU 122 CO 0.09 0.95 0.21 -0.03 -0.34 0.00 0.00 178.44 179.32 1mhw h MET 123 N 1.18 0.75 -0.61 1.25 4.05 -0.53 -0.15 114.93 120.88 1mhw h MET 123 Ca 0.28 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 1mhw h MET 123 Cb 0.17 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 1mhw h MET 123 CO -0.03 0.66 0.16 0.87 0.23 0.00 0.00 176.91 178.80 1mhw h LYS 124 N 0.68 0.94 -0.14 0.39 1.57 -1.11 -1.06 116.57 117.85 1mhw h LYS 124 Ca 0.17 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1mhw h LYS 124 Cb 0.18 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1mhw h LYS 124 CO -0.02 0.84 -0.03 0.00 -0.57 0.00 0.00 179.45 179.67 1mhw h ALA 125 N 1.26 0.19 -0.45 3.86 0.00 -0.85 -1.30 119.26 121.97 1mhw h ALA 125 Ca 0.20 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1mhw h ALA 125 Cb 0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1mhw h ALA 125 CO -0.00 -0.06 0.20 0.28 0.00 0.00 0.00 179.25 179.67 1mhw h VAL 126 N -0.04 0.93 -0.32 0.00 2.07 -0.90 0.51 116.25 118.49 1mhw h VAL 126 Ca 0.04 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1mhw h VAL 126 Cb 0.45 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1mhw h VAL 126 CO 0.01 0.07 -0.06 0.00 0.02 0.00 0.00 177.57 177.62 1mhw h ALA 127 N 1.26 1.30 0.00 1.67 0.00 -1.11 -3.16 119.26 119.22 1mhw h ALA 127 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mhw h ALA 127 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mhw h ALA 127 CO -0.17 0.47 -1.77 0.25 0.00 0.00 0.00 179.25 178.04 1mhw n THR 128 N -4.24 0.00 -0.13 0.00 -2.24 -0.50 -4.78 114.28 102.40 1mhw n THR 128 Ca 0.01 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 1mhw n THR 128 Cb 0.29 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 1mhw n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1mhw n VAL 129 N -2.08 1.45 0.00 2.28 0.31 0.17 -5.07 118.33 115.39 1mhw n VAL 129 Ca -0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1mhw n VAL 129 Cb 0.45 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1mhw n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mhw n GLY 130 N 1.38 0.88 3.72 2.92 0.00 -1.19 -4.93 105.19 107.97 1mhw n GLY 130 Ca -0.47 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 1mhw n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mhw n PRO 131 N 0.00 2.29 -5.05 1.61 -0.02 -1.26 -4.46 135.00 128.12 1mhw n PRO 131 Ca 0.00 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 1mhw n PRO 131 Cb 0.00 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 30.88 1mhw n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mhw s ILE 132 N -0.86 2.53 0.03 4.25 -1.09 -0.44 -4.73 121.20 120.89 1mhw s ILE 132 Ca 0.57 -0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 1mhw s ILE 132 Cb -0.55 -1.99 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 1mhw s ILE 132 CO 0.60 0.56 1.12 -0.44 -1.23 0.00 0.00 174.94 175.54 1mhw s SER 133 N -0.00 7.18 0.13 3.58 0.01 -1.26 -0.95 113.70 122.39 1mhw s SER 133 Ca -0.06 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1mhw s SER 133 Cb -0.15 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1mhw s SER 133 CO 0.05 -0.40 0.01 0.68 0.41 0.00 0.00 173.24 173.99 1mhw s VAL 134 N 1.11 0.37 0.03 3.43 -7.23 -0.52 -4.95 120.40 112.64 1mhw s VAL 134 Ca 0.56 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1mhw s VAL 134 Cb -0.26 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1mhw s VAL 134 CO 0.28 -0.58 -0.23 0.00 -0.31 0.00 0.00 175.10 174.26 1mhw s ALA 135 N -3.86 2.37 0.12 1.32 0.00 -1.26 -0.77 121.76 119.67 1mhw s ALA 135 Ca 0.20 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1mhw s ALA 135 Cb 0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1mhw s ALA 135 CO 0.00 0.55 0.05 0.96 0.00 0.00 0.00 175.76 177.31 1mhw s ILE 136 N -0.81 0.12 -0.53 0.00 -4.36 -0.27 -4.96 121.20 110.38 1mhw s ILE 136 Ca 0.12 -1.89 -0.24 0.00 -0.26 0.00 0.00 60.65 58.38 1mhw s ILE 136 Cb -0.10 -1.96 0.04 0.00 1.25 0.00 0.00 42.46 41.68 1mhw s ILE 136 CO 0.02 -0.54 0.93 -0.62 0.24 0.00 0.00 174.94 174.97 1mhw s ASP 137 N -3.03 6.37 -0.07 4.36 2.15 -1.26 -1.48 116.67 123.71 1mhw s ASP 137 Ca 0.21 -0.27 0.11 0.00 0.43 0.00 0.00 52.55 53.04 1mhw s ASP 137 Cb 0.07 -2.43 0.30 0.00 -0.30 0.00 0.00 42.92 40.56 1mhw s ASP 137 CO -0.00 -1.18 1.23 0.00 -0.17 0.00 0.00 175.17 175.05 1mhw n ALA 138 N 7.37 2.38 -0.62 3.66 0.00 -1.26 -4.82 120.51 127.21 1mhw n ALA 138 Ca 0.02 -1.66 -0.03 0.00 0.00 0.00 0.00 53.44 51.77 1mhw n ALA 138 Cb 0.48 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1mhw n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mhw n GLY 139 N -0.29 2.62 3.03 0.00 0.00 -1.26 -4.72 105.19 104.56 1mhw n GLY 139 Ca 0.12 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1mhw n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mhw s HIS 140 N 0.26 0.60 0.56 1.61 3.76 -1.26 -5.03 115.29 115.79 1mhw s HIS 140 Ca 0.17 -0.35 0.28 0.00 -0.15 0.00 0.00 55.06 55.01 1mhw s HIS 140 Cb 0.08 -0.37 1.73 0.00 1.11 0.00 0.00 32.58 35.13 1mhw s HIS 140 CO 0.00 -0.06 2.22 0.93 -0.85 0.00 0.00 174.74 176.98 1mhw h GLU 141 N 5.03 0.00 -0.49 1.40 5.08 -2.00 -1.33 114.58 122.27 1mhw h GLU 141 Ca -0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1mhw h GLU 141 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1mhw h GLU 141 CO 0.44 0.02 0.30 0.66 -1.00 0.00 0.00 179.01 179.43 1mhw h SER 142 N 0.00 0.58 -0.06 1.42 4.64 -1.95 -0.20 113.55 117.97 1mhw h SER 142 Ca -0.00 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 1mhw h SER 142 Cb 0.06 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1mhw h SER 142 CO 0.00 0.45 -0.60 0.15 -0.87 0.00 0.00 176.83 175.96 1mhw h PHE 143 N 0.67 0.73 -0.94 4.77 3.57 -1.55 -2.00 116.94 122.20 1mhw h PHE 143 Ca 0.18 -0.35 0.05 0.00 3.53 0.00 0.00 57.97 61.37 1mhw h PHE 143 Cb -0.03 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 1mhw h PHE 143 CO 0.00 1.15 0.62 1.25 -2.23 0.00 0.00 178.31 179.10 1mhw h LEU 144 N 0.10 1.00 -2.64 0.59 5.85 -1.25 -2.63 115.31 116.34 1mhw h LEU 144 Ca -0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1mhw h LEU 144 Cb 1.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1mhw h LEU 144 CO 0.12 0.66 0.00 0.49 -0.34 0.00 0.00 178.44 179.38 1mhw n PHE 145 N -4.46 1.12 -1.72 1.25 3.72 -0.14 -4.98 117.46 112.26 1mhw n PHE 145 Ca 0.13 -0.49 -0.43 0.00 -0.05 0.00 0.00 57.45 56.61 1mhw n PHE 145 Cb 0.14 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 1mhw n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1mhw n TYR 146 N 1.22 2.58 -0.01 1.38 9.36 -0.75 -4.91 117.16 126.03 1mhw n TYR 146 Ca 0.23 0.32 -0.04 0.00 3.32 0.00 0.00 57.90 61.72 1mhw n TYR 146 Cb 0.69 -2.55 -0.01 0.00 -0.63 0.00 0.00 39.34 36.84 1mhw n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1mhw n LYS 147 N 2.14 0.09 -3.83 2.98 5.02 -1.26 -5.07 118.16 118.23 1mhw n LYS 147 Ca 0.10 0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1mhw n LYS 147 Cb 0.35 -0.66 0.02 0.00 -0.02 0.00 0.00 35.03 34.72 1mhw n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1mhw s GLU 148 N -2.10 1.89 1.73 1.97 -1.05 -1.26 -5.15 118.70 114.73 1mhw s GLU 148 Ca -0.06 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 53.56 1mhw s GLU 148 Cb 0.02 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1mhw s GLU 148 CO 0.08 -0.88 0.00 0.41 0.95 0.00 0.00 175.26 175.81 1mhw n GLY 149 N -0.58 -1.52 3.71 -3.83 0.00 -1.26 -4.79 105.19 96.92 1mhw n GLY 149 Ca -0.06 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1mhw n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mhw s ILE 150 N 0.00 5.15 -0.19 -0.61 1.01 -1.26 -5.04 121.20 120.25 1mhw s ILE 150 Ca 0.00 1.06 -0.27 0.00 0.00 0.00 0.00 60.65 61.44 1mhw s ILE 150 Cb 0.00 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 1mhw s ILE 150 CO 0.00 0.29 0.93 -0.47 0.00 0.00 0.00 174.94 175.69 1mhw s TYR 151 N 0.81 3.39 -0.11 3.97 5.04 -1.26 -5.02 117.35 124.17 1mhw s TYR 151 Ca 0.28 1.36 -0.04 0.00 -2.44 0.00 0.00 57.07 56.24 1mhw s TYR 151 Cb -0.16 -3.14 0.05 0.00 0.35 0.00 0.00 41.96 39.06 1mhw s TYR 151 CO 0.12 -0.34 0.08 0.12 -1.34 0.00 0.00 175.55 174.18 1mhw s PHE 152 N 2.59 0.11 -0.34 4.97 5.36 -1.26 -5.12 117.98 124.30 1mhw s PHE 152 Ca 0.41 -0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.34 1mhw s PHE 152 Cb -0.16 -0.58 0.07 0.00 -0.34 0.00 0.00 43.02 42.01 1mhw s PHE 152 CO 0.10 -0.36 0.07 -2.00 -1.46 0.00 0.00 175.22 171.57 1mhw s GLU 153 N 2.16 2.33 0.50 10.12 2.56 -1.26 -5.01 118.70 130.10 1mhw s GLU 153 Ca 0.03 -1.41 0.29 0.00 0.00 0.00 0.00 54.97 53.88 1mhw s GLU 153 Cb -0.14 -3.33 1.39 0.00 2.00 0.00 0.00 34.13 34.05 1mhw s GLU 153 CO -0.06 -0.75 1.85 -1.35 -0.56 0.00 0.00 175.26 174.38 1mhw h PRO 154 N 8.04 0.11 -0.62 4.30 0.11 -2.05 -1.37 132.00 140.52 1mhw h PRO 154 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1mhw h PRO 154 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1mhw h PRO 154 CO 0.59 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.20 1mhw n ASP 155 N -4.33 3.69 -4.78 -2.05 8.00 -1.26 -4.97 116.55 110.85 1mhw n ASP 155 Ca 0.21 -2.31 -0.36 0.00 0.71 0.00 0.00 54.79 53.04 1mhw n ASP 155 Cb 0.97 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1mhw n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mhw s SER 157 N -1.65 6.01 0.00 0.00 0.15 -1.26 -5.00 113.70 111.96 1mhw s SER 157 Ca 0.67 0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.86 1mhw s SER 157 Cb -0.24 -1.84 0.20 0.00 -1.71 0.00 0.00 66.02 62.44 1mhw s SER 157 CO 0.28 0.32 1.26 -1.20 1.20 0.00 0.00 173.24 175.11 1mhw n SER 158 N 1.48 2.88 0.00 5.45 7.64 -1.26 -4.48 113.62 125.33 1mhw n SER 158 Ca -0.15 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1mhw n SER 158 Cb 0.53 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1mhw n SER 158 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mhw n GLU 159 N 1.21 3.06 -3.52 1.43 4.71 -1.26 -4.95 120.64 121.33 1mhw n GLU 159 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.87 1mhw n GLU 159 Cb 0.58 -0.93 -0.07 0.00 -1.01 0.00 0.00 31.44 30.02 1mhw n GLU 159 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1mhw s ASP 160 N -2.57 5.93 0.08 1.62 -1.08 -1.26 -5.07 116.67 114.33 1mhw s ASP 160 Ca 0.00 -2.43 0.03 0.00 -0.52 0.00 0.00 52.55 49.62 1mhw s ASP 160 Cb 0.00 -2.04 -0.04 0.00 -1.46 0.00 0.00 42.92 39.38 1mhw s ASP 160 CO 0.00 -0.57 0.10 -0.04 0.52 0.00 0.00 175.17 175.18 1mhw s MET 161 N 0.57 2.97 0.00 4.34 -1.94 -1.26 -4.46 119.30 119.52 1mhw s MET 161 Ca 0.13 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 1mhw s MET 161 Cb -0.20 -2.77 0.00 0.00 2.01 0.00 0.00 34.83 33.87 1mhw s MET 161 CO -0.04 0.57 0.14 -0.40 -0.01 0.00 0.00 175.02 175.28 1mhw n ASP 162 N 0.39 0.20 -3.86 3.03 5.75 -0.55 -4.91 116.55 116.60 1mhw n ASP 162 Ca -0.08 -1.02 -0.24 0.00 -0.01 0.00 0.00 54.79 53.45 1mhw n ASP 162 Cb 0.52 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.44 1mhw n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1mhw s HIS 163 N -0.02 1.00 -0.15 2.11 5.04 -0.56 -4.94 115.29 117.77 1mhw s HIS 163 Ca 0.00 -0.38 -0.21 0.00 -1.54 0.00 0.00 55.06 52.93 1mhw s HIS 163 Cb 0.00 -0.92 -0.03 0.00 0.04 0.00 0.00 32.58 31.67 1mhw s HIS 163 CO 0.00 -0.35 0.61 0.20 -2.34 0.00 0.00 174.74 172.86 1mhw s GLY 164 N 1.55 2.27 0.00 1.59 0.00 -1.26 -1.12 107.32 110.35 1mhw s GLY 164 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1mhw s GLY 164 CO -0.04 1.16 0.00 3.33 0.00 0.00 0.00 173.10 177.54 1mhw n VAL 165 N 4.23 0.00 -4.15 1.40 0.24 0.05 -4.51 118.33 115.59 1mhw n VAL 165 Ca -0.03 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.07 1mhw n VAL 165 Cb 0.51 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.71 1mhw n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1mhw s LEU 166 N 0.00 1.32 -0.29 1.34 2.96 -1.26 -1.44 118.68 121.31 1mhw s LEU 166 Ca 0.00 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1mhw s LEU 166 Cb 0.00 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 1mhw s LEU 166 CO 0.00 -0.06 0.53 -0.69 -1.32 0.00 0.00 176.35 174.81 1mhw s VAL 167 N 0.93 5.03 -2.06 1.68 1.01 -0.12 -4.91 120.40 121.96 1mhw s VAL 167 Ca -0.11 0.71 0.18 0.00 0.00 0.00 0.00 61.98 62.76 1mhw s VAL 167 Cb -0.14 -3.89 0.24 0.00 0.00 0.00 0.00 36.38 32.59 1mhw s VAL 167 CO 0.00 -0.04 1.17 1.33 0.00 0.00 0.00 175.10 177.56 1mhw n VAL 168 N 5.28 0.28 -3.84 2.92 0.24 -1.26 -1.33 118.33 120.62 1mhw n VAL 168 Ca -0.04 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1mhw n VAL 168 Cb 0.49 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 1mhw n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mhw n GLY 169 N 1.06 -0.55 3.61 7.63 0.00 -1.26 -0.79 105.19 114.88 1mhw n GLY 169 Ca 0.13 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 1mhw n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mhw s TYR 170 N -3.00 -0.27 0.00 1.61 -0.85 0.10 -4.95 117.35 110.00 1mhw s TYR 170 Ca 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 1mhw s TYR 170 Cb 0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 1mhw s TYR 170 CO 0.00 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 1mhw n GLY 171 N -0.36 1.37 3.29 5.49 0.00 -1.26 -0.86 105.19 112.87 1mhw n GLY 171 Ca -0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1mhw n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhw s PHE 172 N -2.51 -0.18 -0.43 1.61 -0.71 -1.26 -5.01 117.98 109.48 1mhw s PHE 172 Ca 0.00 0.06 -0.26 0.00 -1.04 0.00 0.00 56.93 55.68 1mhw s PHE 172 Cb 0.00 0.17 0.02 0.00 -1.21 0.00 0.00 43.02 42.00 1mhw s PHE 172 CO 0.00 -0.56 0.97 -1.21 -1.34 0.00 0.00 175.22 173.08 1mhw s GLU 173 N -2.74 3.69 0.00 1.99 0.41 -1.26 -5.15 118.70 115.64 1mhw s GLU 173 Ca -0.04 0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.93 1mhw s GLU 173 Cb -0.00 -3.88 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 1mhw s GLU 173 CO -0.04 -1.15 0.13 0.43 -0.49 0.00 0.00 175.26 174.13