#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhq s LEU 5 N 0.00 4.12 0.38 2.46 2.96 -1.26 -4.86 118.68 122.48 2jhq s LEU 5 Ca 0.00 2.37 0.08 0.00 -0.22 0.00 0.00 54.13 56.36 2jhq s LEU 5 Cb 0.00 -4.10 -0.03 0.00 0.50 0.00 0.00 46.19 42.56 2jhq s LEU 5 CO 0.00 -0.81 0.29 0.42 -1.32 0.00 0.00 176.35 174.94 2jhq s THR 6 N -1.45 2.89 0.23 3.68 -4.23 -1.26 -1.67 115.64 113.84 2jhq s THR 6 Ca 0.60 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 2jhq s THR 6 Cb -0.31 -3.04 0.20 0.00 1.34 0.00 0.00 72.50 70.69 2jhq s THR 6 CO 0.38 -0.07 1.85 -0.50 -0.54 0.00 0.00 174.62 175.74 2jhq h TRP 7 N 1.22 0.93 -0.68 3.99 4.06 -1.94 -1.85 115.95 121.68 2jhq h TRP 7 Ca -0.43 0.03 0.15 0.00 2.06 0.00 0.00 58.89 60.70 2jhq h TRP 7 Cb 1.26 -0.30 -0.12 0.00 -1.00 0.00 0.00 29.16 29.00 2jhq h TRP 7 CO 0.55 0.48 -0.05 1.25 -3.56 0.00 0.00 178.44 177.11 2jhq h HIS 8 N 0.93 -0.14 -0.48 0.49 -0.00 -1.95 0.17 115.15 114.16 2jhq h HIS 8 Ca 0.35 0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.70 2jhq h HIS 8 Cb 0.15 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 2jhq h HIS 8 CO -0.04 -0.23 -0.02 -0.44 -0.00 0.00 0.00 177.93 177.20 2jhq h ASP 9 N 0.07 0.79 0.00 3.26 3.32 -1.74 -1.95 116.42 120.16 2jhq h ASP 9 Ca 0.36 -0.20 -0.19 0.00 0.02 0.00 0.00 57.03 57.01 2jhq h ASP 9 Cb 0.59 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2jhq h ASP 9 CO -0.63 0.86 -2.10 1.33 -1.72 0.00 0.00 179.24 176.98 2jhq n VAL 10 N -4.20 0.73 -0.73 -1.35 0.24 -0.93 -4.67 118.33 107.41 2jhq n VAL 10 Ca 0.02 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2jhq n VAL 10 Cb 0.32 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2jhq n VAL 10 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2jhq n ILE 11 N -2.47 0.15 0.08 1.34 -5.35 0.54 -4.80 119.36 108.86 2jhq n ILE 11 Ca -0.19 -0.21 0.12 0.00 -0.27 0.00 0.00 62.75 62.20 2jhq n ILE 11 Cb 0.85 1.23 0.61 0.00 -1.74 0.00 0.00 39.64 40.58 2jhq n ILE 11 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2jhq h GLY 12 N 0.00 0.18 1.40 3.28 0.00 -1.08 -0.88 103.07 105.96 2jhq h GLY 12 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2jhq h GLY 12 CO 0.00 0.04 0.24 3.45 0.00 0.00 0.00 176.54 180.27 2jhq h ASN 13 N 0.14 0.00 -0.06 0.19 7.08 -1.87 -2.63 115.58 118.43 2jhq h ASN 13 Ca 0.15 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.39 2jhq h ASN 13 Cb 0.42 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.66 2jhq h ASN 13 CO -0.02 0.00 0.05 -0.33 -2.08 0.00 0.00 177.43 175.05 2jhq h GLU 14 N 0.00 0.00 0.00 4.14 4.39 -1.53 -1.91 114.58 119.67 2jhq h GLU 14 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2jhq h GLU 14 Cb 0.58 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2jhq h GLU 14 CO -0.00 0.00 -0.04 0.87 -1.16 0.00 0.00 179.01 178.68 2jhq h LYS 15 N 0.00 0.00 -0.11 2.33 1.57 -1.67 -0.97 116.57 117.71 2jhq h LYS 15 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jhq h LYS 15 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2jhq h LYS 15 CO -0.00 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 2jhq n GLN 16 N -3.49 1.88 -3.17 3.15 3.00 -0.72 -4.63 117.38 113.40 2jhq n GLN 16 Ca -0.02 -1.30 -0.39 0.00 -0.01 0.00 0.00 57.00 55.28 2jhq n GLN 16 Cb 0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 30.24 28.88 2jhq n GLN 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2jhq s GLN 17 N -1.87 4.34 0.22 -1.09 -1.52 -0.37 -4.97 119.66 114.41 2jhq s GLN 17 Ca 0.35 0.77 -0.08 0.00 -1.95 0.00 0.00 55.36 54.45 2jhq s GLN 17 Cb 0.20 -3.35 0.34 0.00 -0.22 0.00 0.00 33.01 29.97 2jhq s GLN 17 CO 0.30 0.34 1.75 0.00 -0.25 0.00 0.00 175.29 177.42 2jhq h ALA 18 N 5.73 0.90 -0.86 6.09 0.00 -1.91 -1.88 119.26 127.33 2jhq h ALA 18 Ca -0.45 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2jhq h ALA 18 Cb 1.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2jhq h ALA 18 CO 0.70 -0.17 0.47 0.10 0.00 0.00 0.00 179.25 180.35 2jhq h TYR 19 N 0.45 1.18 -0.13 0.00 -0.00 -1.93 -0.99 116.97 115.55 2jhq h TYR 19 Ca 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 58.73 59.01 2jhq h TYR 19 Cb 0.44 -0.38 -0.00 0.00 0.00 0.00 0.00 36.73 36.79 2jhq h TYR 19 CO -0.16 0.82 -0.06 0.35 -0.00 0.00 0.00 178.16 179.11 2jhq h PHE 20 N 1.21 0.32 -0.94 0.10 3.57 -1.62 0.39 116.94 119.97 2jhq h PHE 20 Ca 0.30 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2jhq h PHE 20 Cb 0.03 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 2jhq h PHE 20 CO 0.01 0.60 0.61 1.96 -2.23 0.00 0.00 178.31 179.26 2jhq h GLN 21 N -0.06 1.24 -0.24 1.11 4.20 -1.17 -1.60 115.11 118.59 2jhq h GLN 21 Ca 0.03 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 2jhq h GLN 21 Cb 0.51 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jhq h GLN 21 CO 0.02 0.83 -0.38 1.96 -0.67 0.00 0.00 178.83 180.59 2jhq h GLN 22 N 1.28 0.53 0.04 1.46 4.20 -0.93 -0.55 115.11 121.14 2jhq h GLN 22 Ca 0.34 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2jhq h GLN 22 Cb -0.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2jhq h GLN 22 CO -0.07 0.83 -0.05 1.15 -0.67 0.00 0.00 178.83 180.02 2jhq h THR 23 N 0.45 0.89 -0.72 -0.54 2.02 -0.27 -0.73 112.91 114.00 2jhq h THR 23 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 2jhq h THR 23 Cb 0.86 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2jhq h THR 23 CO 0.07 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 176.08 2jhq h LEU 24 N -0.11 1.07 -0.82 2.58 3.38 -1.12 -1.48 115.31 118.81 2jhq h LEU 24 Ca 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2jhq h LEU 24 Cb 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2jhq h LEU 24 CO -0.02 1.02 0.39 1.56 0.09 0.00 0.00 178.44 181.49 2jhq h GLN 25 N 1.08 1.19 0.02 1.13 4.20 -1.03 -1.19 115.11 120.50 2jhq h GLN 25 Ca 0.23 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2jhq h GLN 25 Cb 0.36 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2jhq h GLN 25 CO 0.00 0.92 -0.01 0.35 -0.67 0.00 0.00 178.83 179.42 2jhq h PHE 26 N 1.17 -0.02 -0.42 2.96 3.57 -0.65 -0.76 116.94 122.80 2jhq h PHE 26 Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2jhq h PHE 26 Cb 0.12 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2jhq h PHE 26 CO 0.01 0.09 0.27 0.28 -2.23 0.00 0.00 178.31 176.73 2jhq h VAL 27 N -0.13 1.11 -0.77 1.41 2.07 -1.14 -1.01 116.25 117.80 2jhq h VAL 27 Ca -0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2jhq h VAL 27 Cb 0.12 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2jhq h VAL 27 CO 0.00 0.11 0.42 -0.08 0.02 0.00 0.00 177.57 178.05 2jhq h GLU 28 N 0.56 1.08 -0.45 1.57 4.57 -1.17 -0.45 114.58 120.29 2jhq h GLU 28 Ca 0.15 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2jhq h GLU 28 Cb -0.05 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 2jhq h GLU 28 CO -0.03 0.80 0.04 0.66 -1.18 0.00 0.00 179.01 179.30 2jhq h SER 29 N 1.07 0.66 -0.37 1.04 4.64 -0.59 0.82 113.55 120.82 2jhq h SER 29 Ca 0.27 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2jhq h SER 29 Cb 0.04 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2jhq h SER 29 CO -0.04 0.71 -0.01 1.56 -0.87 0.00 0.00 176.83 178.18 2jhq h GLN 30 N 0.67 0.67 -0.31 4.77 1.08 -0.55 -0.92 115.11 120.51 2jhq h GLN 30 Ca 0.14 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2jhq h GLN 30 Cb 0.35 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2jhq h GLN 30 CO 0.01 0.77 0.20 0.00 -0.95 0.00 0.00 178.83 178.87 2jhq h ARG 31 N 0.48 0.42 0.00 1.46 3.08 -0.62 -1.29 114.38 117.91 2jhq h ARG 31 Ca 0.10 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2jhq h ARG 31 Cb 0.48 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2jhq h ARG 31 CO 0.02 0.29 -0.11 1.96 -1.07 0.00 0.00 179.97 181.06 2jhq h GLN 32 N 0.42 0.00 -0.00 0.04 1.08 -0.63 -2.01 115.11 114.01 2jhq h GLN 32 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2jhq h GLN 32 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2jhq h GLN 32 CO -0.02 0.11 -0.03 0.00 -0.95 0.00 0.00 178.83 177.94 2jhq n ALA 33 N -2.44 2.56 -0.45 3.87 0.00 -0.37 -4.91 120.51 118.77 2jhq n ALA 33 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2jhq n ALA 33 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2jhq n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jhq n GLY 34 N 1.27 0.76 3.75 0.00 0.00 -0.75 -5.06 105.19 105.16 2jhq n GLY 34 Ca 0.15 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2jhq n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jhq s LYS 35 N -0.63 4.55 -0.46 1.61 -0.14 -0.54 -4.99 119.74 119.15 2jhq s LYS 35 Ca 0.00 1.86 -0.25 0.00 -1.36 0.00 0.00 55.97 56.22 2jhq s LYS 35 Cb 0.00 -3.21 0.03 0.00 -1.68 0.00 0.00 37.83 32.97 2jhq s LYS 35 CO 0.00 0.04 0.92 0.08 -0.76 0.00 0.00 175.35 175.63 2jhq s VAL 36 N -0.62 4.48 -0.10 3.17 1.01 -1.26 -4.39 120.40 122.69 2jhq s VAL 36 Ca 0.49 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.24 2jhq s VAL 36 Cb -0.33 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.62 2jhq s VAL 36 CO 0.40 -0.82 -0.18 -0.63 0.00 0.00 0.00 175.10 173.87 2jhq s ILE 37 N 3.72 2.61 0.10 2.22 -1.09 -1.26 -0.47 121.20 127.04 2jhq s ILE 37 Ca 0.37 -0.83 0.08 0.00 -2.23 0.00 0.00 60.65 58.04 2jhq s ILE 37 Cb -0.10 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 2jhq s ILE 37 CO 0.26 0.55 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.04 2jhq s TYR 38 N 0.16 2.59 1.05 3.97 2.02 0.34 -4.27 117.35 123.21 2jhq s TYR 38 Ca -0.10 -0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.19 2jhq s TYR 38 Cb -0.16 -1.39 0.24 0.00 -0.40 0.00 0.00 41.96 40.25 2jhq s TYR 38 CO 0.06 0.37 1.29 -1.25 -1.57 0.00 0.00 175.55 174.45 2jhq s PRO 39 N -1.99 -0.09 0.66 -1.71 0.04 -1.26 -0.86 135.00 129.79 2jhq s PRO 39 Ca 0.18 -0.42 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 2jhq s PRO 39 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2jhq s PRO 39 CO 0.10 -2.90 0.87 -2.30 0.04 0.00 0.00 177.00 172.81 2jhq n PRO 40 N -4.11 0.65 -0.32 0.56 -0.02 -1.26 -4.80 135.00 125.70 2jhq n PRO 40 Ca 0.16 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 2jhq n PRO 40 Cb 0.59 -2.11 0.25 0.00 -0.02 0.00 0.00 33.50 32.22 2jhq n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jhq h ALA 41 N 0.08 1.41 0.00 3.55 0.00 -1.98 0.19 119.26 122.51 2jhq h ALA 41 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jhq h ALA 41 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jhq h ALA 41 CO 0.48 -0.04 0.00 1.57 0.00 0.00 0.00 179.25 181.26 2jhq h LYS 42 N 0.71 0.00 -0.00 0.00 2.10 -2.03 -2.79 116.57 114.56 2jhq h LYS 42 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2jhq h LYS 42 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2jhq h LYS 42 CO -0.35 0.00 -0.79 -0.25 -2.00 0.00 0.00 179.45 176.06 2jhq n ASP 43 N -2.51 1.07 -0.33 7.07 8.00 0.05 -4.64 116.55 125.26 2jhq n ASP 43 Ca -0.01 -1.03 0.08 0.00 0.71 0.00 0.00 54.79 54.54 2jhq n ASP 43 Cb 0.11 0.90 0.28 0.00 -0.02 0.00 0.00 41.12 42.38 2jhq n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jhq h VAL 44 N 0.42 0.91 -0.51 2.53 2.07 -1.41 -0.80 116.25 119.46 2jhq h VAL 44 Ca 0.00 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2jhq h VAL 44 Cb 0.48 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2jhq h VAL 44 CO 0.00 0.17 0.07 0.49 0.02 0.00 0.00 177.57 178.32 2jhq n PHE 45 N -4.59 1.77 -0.02 1.57 3.72 -1.26 -4.67 117.46 113.98 2jhq n PHE 45 Ca 0.18 -0.96 0.14 0.00 -0.05 0.00 0.00 57.45 56.76 2jhq n PHE 45 Cb 0.37 -0.50 0.58 0.00 -0.94 0.00 0.00 39.48 38.99 2jhq n PHE 45 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2jhq h ASN 46 N 2.77 0.21 -0.55 4.37 2.35 -1.29 -1.73 115.58 121.71 2jhq h ASN 46 Ca 0.09 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2jhq h ASN 46 Cb 1.90 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 40.20 2jhq h ASN 46 CO 0.47 0.12 0.26 0.00 -1.65 0.00 0.00 177.43 176.64 2jhq h ALA 47 N 1.74 1.36 0.01 -0.83 0.00 -1.77 -0.76 119.26 119.01 2jhq h ALA 47 Ca 0.24 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 2jhq h ALA 47 Cb 0.65 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jhq h ALA 47 CO -0.05 0.49 -0.98 0.74 0.00 0.00 0.00 179.25 179.45 2jhq h PHE 48 N 0.83 0.72 -0.61 0.00 0.04 -1.57 -2.00 116.94 114.35 2jhq h PHE 48 Ca 0.20 -0.40 0.02 0.00 2.80 0.00 0.00 57.97 60.60 2jhq h PHE 48 Cb 0.12 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 2jhq h PHE 48 CO 0.01 1.22 0.38 -0.09 -0.60 0.00 0.00 178.31 179.23 2jhq h ARG 49 N 0.27 0.73 0.00 1.51 2.43 -1.00 -3.30 114.38 115.01 2jhq h ARG 49 Ca -0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2jhq h ARG 49 Cb 1.63 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2jhq h ARG 49 CO 0.18 0.48 -0.94 1.19 -1.51 0.00 0.00 179.97 179.37 2jhq n PHE 50 N -4.72 0.06 -3.58 2.20 3.72 -0.34 -4.58 117.46 110.21 2jhq n PHE 50 Ca 0.06 0.02 -0.29 0.00 -0.05 0.00 0.00 57.45 57.18 2jhq n PHE 50 Cb 0.07 -0.19 -0.14 0.00 -0.94 0.00 0.00 39.48 38.28 2jhq n PHE 50 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2jhq s THR 51 N -3.08 0.38 0.77 4.37 2.01 -0.75 -3.96 115.64 115.38 2jhq s THR 51 Ca 0.07 -1.38 -0.13 0.00 0.31 0.00 0.00 61.69 60.56 2jhq s THR 51 Cb 0.16 -1.30 0.06 0.00 0.01 0.00 0.00 72.50 71.43 2jhq s THR 51 CO 0.81 -0.81 1.15 -1.61 -0.69 0.00 0.00 174.62 173.47 2jhq s GLU 52 N 1.50 2.01 0.14 4.92 0.41 -1.25 -4.55 118.70 121.87 2jhq s GLU 52 Ca 0.13 1.50 -0.23 0.00 -0.41 0.00 0.00 54.97 55.96 2jhq s GLU 52 Cb -0.19 -1.84 -0.00 0.00 -1.78 0.00 0.00 34.13 30.31 2jhq s GLU 52 CO -0.19 -1.88 1.65 0.35 -0.49 0.00 0.00 175.26 174.69 2jhq h PHE 53 N -0.82 -0.54 0.00 1.61 3.57 -1.87 -0.05 116.94 118.83 2jhq h PHE 53 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2jhq h PHE 53 Cb 1.26 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.27 2jhq h PHE 53 CO 0.52 -0.28 0.00 0.78 -2.23 0.00 0.00 178.31 177.09 2jhq h GLY 54 N -0.25 0.00 0.78 2.40 0.00 -1.65 -2.64 103.07 101.71 2jhq h GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jhq h GLY 54 CO -0.30 0.00 -0.63 1.22 0.00 0.00 0.00 176.54 176.83 2jhq n ASP 55 N -2.51 0.61 -4.71 0.19 8.00 -0.08 -4.73 116.55 113.32 2jhq n ASP 55 Ca 0.01 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 2jhq n ASP 55 Cb 0.19 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 2jhq n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jhq s VAL 56 N -3.01 2.74 -0.03 2.53 1.01 -0.91 -4.28 120.40 118.44 2jhq s VAL 56 Ca 0.10 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.56 2jhq s VAL 56 Cb 0.17 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2jhq s VAL 56 CO 0.74 0.03 -0.01 0.29 0.00 0.00 0.00 175.10 176.15 2jhq n LYS 57 N 4.38 2.28 -4.09 2.72 5.02 0.13 -4.98 118.16 123.63 2jhq n LYS 57 Ca 0.14 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 2jhq n LYS 57 Cb 0.39 -1.08 -0.14 0.00 -0.02 0.00 0.00 35.03 34.18 2jhq n LYS 57 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jhq s VAL 58 N -2.08 0.32 -0.15 -0.18 1.01 -0.83 -2.03 120.40 116.46 2jhq s VAL 58 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2jhq s VAL 58 Cb 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2jhq s VAL 58 CO 0.12 0.09 -0.19 -0.69 0.00 0.00 0.00 175.10 174.42 2jhq s VAL 59 N -0.07 1.91 -0.16 2.92 1.01 0.32 -0.38 120.40 125.96 2jhq s VAL 59 Ca 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2jhq s VAL 59 Cb -0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2jhq s VAL 59 CO -0.00 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 2jhq s ILE 60 N 1.08 2.97 -0.11 2.22 1.01 -0.51 -0.74 121.20 127.12 2jhq s ILE 60 Ca -0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 2jhq s ILE 60 Cb -0.14 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2jhq s ILE 60 CO -0.07 0.50 0.20 -0.76 0.00 0.00 0.00 174.94 174.82 2jhq s LEU 61 N 0.75 4.37 0.48 2.97 1.43 -1.24 -1.64 118.68 125.82 2jhq s LEU 61 Ca -0.05 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 2jhq s LEU 61 Cb -0.15 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2jhq s LEU 61 CO 0.01 0.34 0.17 -0.83 0.23 0.00 0.00 176.35 176.28 2jhq s GLY 62 N -0.75 2.59 0.00 -3.19 0.00 -0.23 -4.69 107.32 101.06 2jhq s GLY 62 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2jhq s GLY 62 CO 0.05 -2.03 0.00 -0.18 0.00 0.00 0.00 173.10 170.94 2jhq n GLN 63 N -1.38 0.00 -3.41 2.90 7.27 -1.26 -1.23 117.38 120.26 2jhq n GLN 63 Ca -0.08 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.71 2jhq n GLN 63 Cb 0.65 -0.02 -0.03 0.00 2.41 0.00 0.00 30.24 33.26 2jhq n GLN 63 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2jhq s ASP 64 N -1.00 6.43 0.77 1.69 1.01 -1.26 -1.04 116.67 123.27 2jhq s ASP 64 Ca 0.00 0.65 -0.14 0.00 0.71 0.00 0.00 52.55 53.77 2jhq s ASP 64 Cb 0.00 -2.11 0.06 0.00 1.01 0.00 0.00 42.92 41.88 2jhq s ASP 64 CO 0.00 -0.17 1.21 -2.84 0.21 0.00 0.00 175.17 173.58 2jhq s PRO 65 N -3.52 1.87 0.40 8.23 0.02 -1.25 -4.95 135.00 135.81 2jhq s PRO 65 Ca 0.43 1.76 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 2jhq s PRO 65 Cb -0.11 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 2jhq s PRO 65 CO 0.30 -2.04 1.04 0.66 -0.33 0.00 0.00 177.00 176.63 2jhq n TYR 66 N -3.03 1.30 -0.44 6.54 4.01 -1.26 -4.88 117.16 119.39 2jhq n TYR 66 Ca 0.13 0.57 0.07 0.00 -0.16 0.00 0.00 57.90 58.51 2jhq n TYR 66 Cb 0.50 -2.25 0.19 0.00 -0.31 0.00 0.00 39.34 37.47 2jhq n TYR 66 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 2jhq n HIS 67 N -0.35 0.63 -3.86 -0.72 1.44 -1.26 -4.20 115.22 106.89 2jhq n HIS 67 Ca 0.09 -0.62 -0.21 0.00 -2.01 0.00 0.00 57.72 54.97 2jhq n HIS 67 Cb 0.38 -0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.34 2jhq n HIS 67 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2jhq s GLY 68 N -1.30 1.57 0.50 -1.39 0.00 -1.26 -0.63 107.32 104.81 2jhq s GLY 68 Ca 0.29 -1.50 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 2jhq s GLY 68 CO 0.13 -1.47 1.36 -1.55 0.00 0.00 0.00 173.10 171.58 2jhq n PRO 69 N -1.37 1.89 -0.94 2.90 -0.04 -1.26 -2.97 135.00 133.22 2jhq n PRO 69 Ca -0.04 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2jhq n PRO 69 Cb 0.59 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2jhq n PRO 69 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jhq n ASN 70 N -0.58 -2.92 0.00 3.54 5.03 -1.26 -4.90 115.26 114.18 2jhq n ASN 70 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2jhq n ASN 70 Cb 0.43 -1.50 0.00 0.00 -1.02 0.00 0.00 39.78 37.69 2jhq n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jhq n GLN 71 N -1.57 0.00 -2.01 3.52 6.02 -1.16 -4.61 117.38 117.57 2jhq n GLN 71 Ca 0.00 0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.66 2jhq n GLN 71 Cb 0.14 -0.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.87 2jhq n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jhq s ALA 72 N -3.29 3.58 -0.01 -1.58 0.00 -1.26 -4.33 121.76 114.87 2jhq s ALA 72 Ca 0.00 1.35 0.16 0.00 0.00 0.00 0.00 51.96 53.47 2jhq s ALA 72 Cb 0.00 -3.54 0.26 0.00 0.00 0.00 0.00 23.12 19.84 2jhq s ALA 72 CO 0.00 -0.77 1.11 -2.39 0.00 0.00 0.00 175.76 173.71 2jhq n HIS 73 N 1.50 0.00 -0.41 0.00 1.44 -1.26 -4.68 115.22 111.81 2jhq n HIS 73 Ca 0.04 -0.35 0.00 0.00 -2.01 0.00 0.00 57.72 55.40 2jhq n HIS 73 Cb 0.40 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.40 2jhq n HIS 73 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2jhq n GLY 74 N 0.23 0.75 3.18 -1.39 0.00 -1.26 -4.76 105.19 101.94 2jhq n GLY 74 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2jhq n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jhq s LEU 75 N 0.00 1.96 0.43 0.99 1.43 -1.26 -2.56 118.68 119.67 2jhq s LEU 75 Ca 0.00 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.41 2jhq s LEU 75 Cb 0.00 -1.14 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 2jhq s LEU 75 CO 0.00 0.17 1.45 0.00 0.23 0.00 0.00 176.35 178.19 2jhq n PHE 77 N 0.02 0.00 -3.02 0.00 3.72 -1.26 -4.91 117.46 112.01 2jhq n PHE 77 Ca 0.04 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.12 2jhq n PHE 77 Cb 0.41 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 2jhq n PHE 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jhq s SER 78 N -1.72 6.63 0.06 4.37 0.15 -1.19 -4.70 113.70 117.31 2jhq s SER 78 Ca 0.00 1.17 0.03 0.00 0.70 0.00 0.00 55.95 57.85 2jhq s SER 78 Cb 0.00 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2jhq s SER 78 CO 0.00 -0.29 -0.10 0.68 1.20 0.00 0.00 173.24 174.73 2jhq s VAL 79 N -2.16 0.75 0.81 4.45 -7.23 0.05 -4.52 120.40 112.54 2jhq s VAL 79 Ca 0.52 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2jhq s VAL 79 Cb -0.10 -0.92 0.08 0.00 0.56 0.00 0.00 36.38 36.00 2jhq s VAL 79 CO 0.25 -0.41 1.09 -0.76 -0.31 0.00 0.00 175.10 174.96 2jhq s LEU 80 N -1.86 2.78 0.35 1.32 1.43 -1.26 -2.01 118.68 119.42 2jhq s LEU 80 Ca -0.04 1.67 -0.28 0.00 -1.03 0.00 0.00 54.13 54.45 2jhq s LEU 80 Cb -0.08 -4.29 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 2jhq s LEU 80 CO 0.00 -2.16 1.32 -2.65 0.23 0.00 0.00 176.35 173.10 2jhq n PRO 81 N -3.59 2.22 0.00 1.29 -0.02 -1.26 -2.44 135.00 131.20 2jhq n PRO 81 Ca 0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2jhq n PRO 81 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2jhq n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jhq n GLY 82 N 0.73 2.64 3.79 -1.23 0.00 -1.26 -5.06 105.19 104.80 2jhq n GLY 82 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2jhq n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhq s VAL 83 N -2.70 4.72 0.20 1.61 1.01 -1.02 -5.02 120.40 119.20 2jhq s VAL 83 Ca 0.00 1.32 -0.32 0.00 0.00 0.00 0.00 61.98 62.98 2jhq s VAL 83 Cb 0.00 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 2jhq s VAL 83 CO 0.00 0.51 1.41 1.17 0.00 0.00 0.00 175.10 178.19 2jhq n LYS 84 N 1.99 1.90 -1.87 2.72 4.81 -1.26 -4.43 118.16 122.02 2jhq n LYS 84 Ca -0.08 0.68 -0.43 0.00 -0.87 0.00 0.00 58.31 57.61 2jhq n LYS 84 Cb 0.50 -2.34 -0.03 0.00 0.02 0.00 0.00 35.03 33.19 2jhq n LYS 84 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2jhq s THR 85 N 0.17 3.35 0.82 3.15 2.01 -1.26 -4.94 115.64 118.95 2jhq s THR 85 Ca 0.72 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 63.01 2jhq s THR 85 Cb -0.70 -3.35 0.09 0.00 0.01 0.00 0.00 72.50 68.55 2jhq s THR 85 CO 0.47 -0.14 1.10 -2.84 -0.69 0.00 0.00 174.62 172.52 2jhq s PRO 86 N 5.04 1.81 0.27 4.92 0.02 -1.26 -4.65 135.00 141.15 2jhq s PRO 86 Ca 0.83 1.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 2jhq s PRO 86 Cb -0.32 -1.84 0.50 0.00 0.02 0.00 0.00 34.50 32.86 2jhq s PRO 86 CO 0.34 -1.96 1.81 -1.35 -0.33 0.00 0.00 177.00 175.51 2jhq h PRO 87 N -1.37 0.83 -0.76 5.54 0.11 -1.97 -0.13 132.00 134.25 2jhq h PRO 87 Ca -0.44 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2jhq h PRO 87 Cb 1.25 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2jhq h PRO 87 CO 0.50 0.55 0.49 0.77 -0.21 0.00 0.00 178.00 180.10 2jhq h SER 88 N 0.86 0.83 0.37 -2.05 0.02 -1.92 -2.66 113.55 109.00 2jhq h SER 88 Ca 0.46 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.22 2jhq h SER 88 Cb 0.49 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2jhq h SER 88 CO -0.28 0.58 -0.74 0.25 -1.14 0.00 0.00 176.83 175.50 2jhq h LEU 89 N 0.98 0.37 -0.79 5.07 5.85 -1.42 -1.31 115.31 124.05 2jhq h LEU 89 Ca 0.29 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 58.93 2jhq h LEU 89 Cb -0.04 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 40.78 2jhq h LEU 89 CO -0.09 0.98 0.29 0.58 -0.34 0.00 0.00 178.44 179.86 2jhq h VAL 90 N 0.20 0.57 -0.02 1.05 2.07 -0.77 0.21 116.25 119.56 2jhq h VAL 90 Ca -0.03 -0.13 -0.23 0.00 0.82 0.00 0.00 66.70 67.13 2jhq h VAL 90 Cb 1.31 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jhq h VAL 90 CO 0.12 0.07 -0.92 0.78 0.02 0.00 0.00 177.57 177.64 2jhq h ASN 91 N 0.39 0.61 -0.37 0.57 2.35 -1.13 -1.06 115.58 116.94 2jhq h ASN 91 Ca 0.45 -0.47 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2jhq h ASN 91 Cb 0.76 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 2jhq h ASN 91 CO -0.46 1.26 0.08 0.40 -1.65 0.00 0.00 177.43 177.06 2jhq h ILE 92 N 0.28 0.82 -0.65 2.81 2.04 -0.54 -0.21 117.51 122.06 2jhq h ILE 92 Ca -0.08 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 2jhq h ILE 92 Cb 1.55 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2jhq h ILE 92 CO 0.16 0.04 0.22 1.88 0.00 0.00 0.00 178.15 180.46 2jhq h TYR 93 N 0.21 1.01 -0.49 1.37 0.05 -0.49 -1.18 116.97 117.45 2jhq h TYR 93 Ca 0.18 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2jhq h TYR 93 Cb 0.20 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 2jhq h TYR 93 CO -0.19 0.79 0.26 0.87 -1.05 0.00 0.00 178.16 178.84 2jhq h LYS 94 N 0.96 0.69 -0.03 4.88 1.57 -0.59 -1.13 116.57 122.91 2jhq h LYS 94 Ca 0.22 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2jhq h LYS 94 Cb 0.24 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2jhq h LYS 94 CO -0.01 0.56 0.01 1.49 -0.57 0.00 0.00 179.45 180.92 2jhq h GLU 95 N 0.65 0.02 -0.90 3.15 4.57 -0.78 -2.74 114.58 118.56 2jhq h GLU 95 Ca 0.17 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.44 2jhq h GLU 95 Cb 0.08 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 2jhq h GLU 95 CO -0.03 0.02 0.58 -0.07 -1.18 0.00 0.00 179.01 178.33 2jhq h LEU 96 N 0.02 0.83 -1.51 1.64 3.38 -0.95 0.18 115.31 118.89 2jhq h LEU 96 Ca 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2jhq h LEU 96 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2jhq h LEU 96 CO -0.02 0.50 -0.13 0.00 0.09 0.00 0.00 178.44 178.88 2jhq h ALA 97 N 1.54 1.60 0.01 1.53 0.00 -0.92 0.52 119.26 123.55 2jhq h ALA 97 Ca 0.41 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.86 2jhq h ALA 97 Cb 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2jhq h ALA 97 CO -0.17 0.29 -1.60 1.96 0.00 0.00 0.00 179.25 179.73 2jhq h GLN 98 N 0.14 0.03 0.15 0.00 1.08 -1.09 -3.40 115.11 112.01 2jhq h GLN 98 Ca 0.03 -0.05 -0.33 0.00 -1.45 0.00 0.00 58.65 56.85 2jhq h GLN 98 Cb 0.33 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2jhq h GLN 98 CO 0.02 0.65 -1.68 0.22 -0.95 0.00 0.00 178.83 177.09 2jhq h ASP 99 N 0.01 0.48 -3.64 1.46 3.58 -0.26 -3.45 116.42 114.60 2jhq h ASP 99 Ca -0.25 -0.73 -0.68 0.00 0.42 0.00 0.00 57.03 55.79 2jhq h ASP 99 Cb 1.98 -0.16 -0.30 0.00 1.72 0.00 0.00 39.33 42.56 2jhq h ASP 99 CO 0.09 1.62 -0.68 -0.63 -2.88 0.00 0.00 179.24 176.76 2jhq s ILE 100 N -2.59 3.28 0.02 2.25 -1.09 0.14 -4.70 121.20 118.50 2jhq s ILE 100 Ca -0.13 -1.09 -0.37 0.00 -2.23 0.00 0.00 60.65 56.83 2jhq s ILE 100 Cb 0.06 -2.77 -0.16 0.00 -1.58 0.00 0.00 42.46 38.01 2jhq s ILE 100 CO 0.85 0.02 1.49 -2.65 -1.23 0.00 0.00 174.94 173.41 2jhq n PRO 101 N 4.72 1.38 -0.71 2.79 -0.02 -1.26 -1.67 135.00 140.23 2jhq n PRO 101 Ca -0.14 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2jhq n PRO 101 Cb 0.46 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2jhq n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jhq n GLY 102 N 3.10 1.35 3.74 -1.23 0.00 -1.26 -5.00 105.19 105.89 2jhq n GLY 102 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2jhq n GLY 102 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jhq s PHE 103 N -3.62 2.98 -0.08 1.61 5.36 -0.67 -5.01 117.98 118.55 2jhq s PHE 103 Ca 0.00 0.85 0.02 0.00 -0.96 0.00 0.00 56.93 56.84 2jhq s PHE 103 Cb 0.00 -3.90 -0.02 0.00 -0.34 0.00 0.00 43.02 38.76 2jhq s PHE 103 CO 0.00 -3.10 -0.15 -0.65 -1.46 0.00 0.00 175.22 169.86 2jhq s GLN 104 N 0.09 2.88 -0.12 10.12 -1.52 -1.26 -4.73 119.66 125.13 2jhq s GLN 104 Ca 0.64 -0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 53.04 2jhq s GLN 104 Cb -0.44 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 29.84 2jhq s GLN 104 CO 0.40 0.43 1.79 0.42 -0.25 0.00 0.00 175.29 178.08 2jhq s ILE 105 N -0.22 3.42 0.63 1.08 1.01 -1.26 -4.95 121.20 120.92 2jhq s ILE 105 Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 2jhq s ILE 105 Cb -0.13 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2jhq s ILE 105 CO 0.03 -0.12 1.04 -2.16 0.00 0.00 0.00 174.94 173.73 2jhq s PRO 106 N 4.68 3.48 -0.06 2.79 0.04 -1.26 -4.94 135.00 139.73 2jhq s PRO 106 Ca 0.80 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2jhq s PRO 106 Cb -0.32 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.31 2jhq s PRO 106 CO 0.33 -0.66 0.88 -0.35 0.04 0.00 0.00 177.00 177.24 2jhq n PRO 107 N -2.81 1.64 -4.06 0.56 -0.04 -1.26 -4.83 135.00 124.20 2jhq n PRO 107 Ca 0.06 -0.64 -0.10 0.00 -0.04 0.00 0.00 63.50 62.78 2jhq n PRO 107 Cb 0.54 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2jhq n PRO 107 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2jhq s HIS 108 N -1.16 0.63 -0.18 0.54 -3.43 -1.26 -4.87 115.29 105.56 2jhq s HIS 108 Ca 0.11 -0.94 0.16 0.00 -0.80 0.00 0.00 55.06 53.59 2jhq s HIS 108 Cb 0.09 -0.02 0.40 0.00 -1.43 0.00 0.00 32.58 31.62 2jhq s HIS 108 CO 0.03 -0.92 1.27 0.41 -2.00 0.00 0.00 174.74 173.53 2jhq n GLY 109 N -0.37 4.74 3.59 -1.38 0.00 -1.26 -4.95 105.19 105.56 2jhq n GLY 109 Ca -0.00 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2jhq n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jhq s TYR 110 N -2.99 3.15 -0.94 1.61 5.04 -0.85 -0.77 117.35 121.60 2jhq s TYR 110 Ca 0.37 0.56 0.13 0.00 -2.44 0.00 0.00 57.07 55.69 2jhq s TYR 110 Cb 0.33 -3.24 0.38 0.00 0.35 0.00 0.00 41.96 39.78 2jhq s TYR 110 CO 0.02 -0.64 1.32 1.28 -1.34 0.00 0.00 175.55 176.19 2jhq n LEU 111 N 6.21 3.21 0.27 6.97 4.77 -1.26 -4.55 117.00 132.62 2jhq n LEU 111 Ca 0.02 -2.14 0.12 0.00 -0.03 0.00 0.00 56.01 53.98 2jhq n LEU 111 Cb 0.48 -0.31 0.77 0.00 -2.33 0.00 0.00 43.42 42.03 2jhq n LEU 111 CO 0.51 0.75 1.04 -0.61 -1.33 0.00 0.00 177.39 177.75 2jhq h GLN 112 N 2.29 0.00 0.00 3.23 4.15 -1.91 0.13 115.11 123.00 2jhq h GLN 112 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2jhq h GLN 112 Cb 0.87 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 2jhq h GLN 112 CO 0.04 0.06 -0.05 0.66 -1.93 0.00 0.00 178.83 177.61 2jhq h SER 113 N 0.00 0.00 -0.23 -0.69 4.64 -1.82 -0.80 113.55 114.64 2jhq h SER 113 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2jhq h SER 113 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2jhq h SER 113 CO 0.01 0.05 -0.19 -0.50 -0.87 0.00 0.00 176.83 175.33 2jhq h TRP 114 N 0.00 0.64 -0.94 4.77 4.06 -1.28 -3.06 115.95 120.13 2jhq h TRP 114 Ca -0.00 -0.18 0.01 0.00 2.06 0.00 0.00 58.89 60.78 2jhq h TRP 114 Cb 0.22 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 28.19 2jhq h TRP 114 CO 0.00 0.85 0.62 0.00 -3.56 0.00 0.00 178.44 176.36 2jhq h ALA 115 N 0.68 1.20 0.00 1.49 0.00 -1.19 -1.41 119.26 120.04 2jhq h ALA 115 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jhq h ALA 115 Cb 0.73 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jhq h ALA 115 CO 0.05 0.57 -0.03 0.37 0.00 0.00 0.00 179.25 180.21 2jhq h GLN 116 N 1.26 0.00 -0.04 0.00 4.15 -1.15 -1.08 115.11 118.25 2jhq h GLN 116 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 2jhq h GLN 116 Cb -0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2jhq h GLN 116 CO -0.08 0.03 0.00 1.04 -1.93 0.00 0.00 178.83 177.89 2jhq n GLN 117 N -3.26 1.89 0.00 1.69 6.02 -0.62 -4.93 117.38 118.17 2jhq n GLN 117 Ca -0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 2jhq n GLN 117 Cb 0.18 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2jhq n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jhq n GLY 118 N 1.23 1.23 3.48 1.08 0.00 -0.41 -4.79 105.19 107.02 2jhq n GLY 118 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2jhq n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhq s VAL 119 N -2.00 4.95 -0.30 1.61 1.01 -0.65 0.22 120.40 125.24 2jhq s VAL 119 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2jhq s VAL 119 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.22 2jhq s VAL 119 CO 0.00 -0.60 1.15 -0.22 0.00 0.00 0.00 175.10 175.44 2jhq s LEU 120 N 2.46 3.94 -1.09 3.92 2.96 0.49 -3.47 118.68 127.88 2jhq s LEU 120 Ca 0.16 1.15 -0.06 0.00 -0.22 0.00 0.00 54.13 55.15 2jhq s LEU 120 Cb -0.17 -3.54 0.29 0.00 0.50 0.00 0.00 46.19 43.27 2jhq s LEU 120 CO 0.14 -0.92 1.29 0.18 -1.32 0.00 0.00 176.35 175.72 2jhq n LEU 121 N 7.05 5.92 -4.62 -0.68 4.77 -1.26 -1.43 117.00 126.75 2jhq n LEU 121 Ca 0.13 -5.14 -0.38 0.00 -0.03 0.00 0.00 56.01 50.60 2jhq n LEU 121 Cb 0.47 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2jhq n LEU 121 CO 0.60 1.54 -0.11 -0.22 -1.33 0.00 0.00 177.39 177.87 2jhq s LEU 122 N -2.06 4.07 0.23 2.23 2.96 -0.65 -1.22 118.68 124.24 2jhq s LEU 122 Ca 0.31 0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 54.16 2jhq s LEU 122 Cb -0.02 -2.20 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 2jhq s LEU 122 CO 0.01 -0.03 0.73 0.20 -1.32 0.00 0.00 176.35 175.94 2jhq s ASN 123 N 1.43 7.04 0.32 3.68 0.02 -1.26 -1.06 114.94 125.10 2jhq s ASN 123 Ca 0.10 1.42 0.17 0.00 -1.02 0.00 0.00 52.86 53.52 2jhq s ASN 123 Cb -0.15 -2.42 0.27 0.00 0.02 0.00 0.00 41.25 38.97 2jhq s ASN 123 CO 0.08 0.01 1.54 0.71 0.02 0.00 0.00 177.10 179.46 2jhq h THR 124 N 2.66 0.81 -3.38 1.60 1.35 -0.55 -3.41 112.91 111.99 2jhq h THR 124 Ca -0.48 -1.96 -0.66 0.00 -0.55 0.00 0.00 66.41 62.77 2jhq h THR 124 Cb 1.19 2.26 -0.26 0.00 -1.73 0.00 0.00 68.15 69.61 2jhq h THR 124 CO 0.65 0.43 -0.76 -0.69 -0.25 0.00 0.00 175.52 174.90 2jhq s VAL 125 N -3.14 3.08 -2.37 6.82 1.01 -0.21 -3.76 120.40 121.82 2jhq s VAL 125 Ca 0.03 -0.66 0.23 0.00 0.00 0.00 0.00 61.98 61.58 2jhq s VAL 125 Cb 0.08 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.24 2jhq s VAL 125 CO 0.72 0.53 1.15 0.18 0.00 0.00 0.00 175.10 177.68 2jhq n LEU 126 N 3.42 2.37 -4.10 3.92 4.77 -1.26 -3.81 117.00 122.31 2jhq n LEU 126 Ca -0.18 -0.84 -0.10 0.00 -0.03 0.00 0.00 56.01 54.86 2jhq n LEU 126 Cb 0.53 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2jhq n LEU 126 CO 0.30 0.42 -0.22 0.42 -1.33 0.00 0.00 177.39 176.99 2jhq s THR 127 N -2.31 0.09 -0.19 -5.08 -4.23 -1.26 -4.33 115.64 98.33 2jhq s THR 127 Ca 0.22 -1.76 -0.26 0.00 -1.18 0.00 0.00 61.69 58.70 2jhq s THR 127 Cb 0.19 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 72.10 2jhq s THR 127 CO 0.48 -0.41 0.68 0.54 -0.54 0.00 0.00 174.62 175.37 2jhq s VAL 128 N -4.03 0.00 0.24 2.29 0.11 -0.04 -4.47 120.40 114.51 2jhq s VAL 128 Ca 0.22 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 2jhq s VAL 128 Cb 0.06 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2jhq s VAL 128 CO 0.01 -0.01 0.93 -0.70 -3.33 0.00 0.00 175.10 172.01 2jhq s GLU 129 N -0.16 4.83 0.02 1.54 2.12 -1.26 -0.50 118.70 125.28 2jhq s GLU 129 Ca -0.04 1.46 -0.38 0.00 0.36 0.00 0.00 54.97 56.37 2jhq s GLU 129 Cb -0.03 -3.25 -0.18 0.00 0.26 0.00 0.00 34.13 30.93 2jhq s GLU 129 CO 0.04 0.51 1.29 0.94 -0.54 0.00 0.00 175.26 177.50 2jhq n GLN 130 N 1.44 0.77 -0.86 4.30 7.27 0.39 -1.89 117.38 128.79 2jhq n GLN 130 Ca -0.02 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2jhq n GLN 130 Cb 0.47 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 31.24 2jhq n GLN 130 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jhq n GLY 131 N 2.37 0.59 2.93 1.69 0.00 0.20 -4.95 105.19 108.02 2jhq n GLY 131 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2jhq n GLY 131 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jhq s MET 132 N -0.41 1.80 0.23 1.61 -1.94 -0.79 -5.09 119.30 114.71 2jhq s MET 132 Ca 0.00 -2.42 -0.31 0.00 -1.71 0.00 0.00 55.69 51.25 2jhq s MET 132 Cb 0.00 -3.17 -0.14 0.00 2.01 0.00 0.00 34.83 33.53 2jhq s MET 132 CO 0.00 -1.09 1.39 0.00 -0.01 0.00 0.00 175.02 175.31 2jhq n ALA 133 N 3.36 0.96 -1.07 3.03 0.00 -1.26 -2.27 120.51 123.26 2jhq n ALA 133 Ca 0.05 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 2jhq n ALA 133 Cb 0.34 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 2jhq n ALA 133 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jhq n HIS 134 N 1.91 0.00 0.06 0.00 8.25 -1.26 -4.88 115.22 119.30 2jhq n HIS 134 Ca 0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.65 2jhq n HIS 134 Cb 0.31 -1.37 0.50 0.00 1.12 0.00 0.00 29.99 30.55 2jhq n HIS 134 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jhq h SER 135 N 0.00 0.31 -0.38 0.41 4.64 -1.80 -2.19 113.55 114.54 2jhq h SER 135 Ca -0.05 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 2jhq h SER 135 Cb 0.62 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2jhq h SER 135 CO 0.08 0.22 0.02 1.41 -0.87 0.00 0.00 176.83 177.69 2jhq n HIS 136 N -4.49 1.34 -0.11 4.77 8.25 -1.26 -4.72 115.22 119.00 2jhq n HIS 136 Ca 0.02 -0.94 0.09 0.00 -0.26 0.00 0.00 57.72 56.64 2jhq n HIS 136 Cb 0.12 -0.41 0.44 0.00 1.12 0.00 0.00 29.99 31.26 2jhq n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jhq h ALA 137 N 2.26 1.87 -0.85 -1.41 0.00 -1.72 -3.14 119.26 116.27 2jhq h ALA 137 Ca 0.05 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 2jhq h ALA 137 Cb 1.67 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.92 2jhq h ALA 137 CO 0.35 0.01 -0.58 0.09 0.00 0.00 0.00 179.25 179.11 2jhq n ASN 138 N -4.48 5.28 -0.29 0.00 5.03 -1.26 -4.56 115.26 114.98 2jhq n ASN 138 Ca 0.10 -3.75 0.07 0.00 0.87 0.00 0.00 54.58 51.86 2jhq n ASN 138 Cb 0.29 -0.44 -0.00 0.00 -1.02 0.00 0.00 39.78 38.61 2jhq n ASN 138 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2jhq n THR 139 N -0.71 0.00 0.00 3.41 -2.24 -1.19 -4.98 114.28 108.57 2jhq n THR 139 Ca 0.46 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2jhq n THR 139 Cb 0.89 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 2jhq n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jhq n GLY 140 N 1.05 1.71 0.34 3.38 0.00 -1.26 -4.20 105.19 106.22 2jhq n GLY 140 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2jhq n GLY 140 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jhq h TRP 141 N 0.00 0.79 -0.20 1.61 -0.00 -1.86 -1.69 115.95 114.60 2jhq h TRP 141 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.83 2jhq h TRP 141 Cb 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 28.88 2jhq h TRP 141 CO 0.00 0.46 -0.21 0.93 -0.00 0.00 0.00 178.44 179.62 2jhq h GLU 142 N 0.82 0.36 -0.12 0.49 4.39 -1.80 -0.12 114.58 118.59 2jhq h GLU 142 Ca 0.27 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2jhq h GLU 142 Cb 0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jhq h GLU 142 CO -0.07 0.56 0.07 1.15 -1.16 0.00 0.00 179.01 179.55 2jhq h THR 143 N 0.33 1.08 -0.13 1.13 2.02 -1.67 0.09 112.91 115.75 2jhq h THR 143 Ca 0.06 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2jhq h THR 143 Cb 0.56 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2jhq h THR 143 CO 0.04 0.07 -0.04 0.15 0.37 0.00 0.00 175.52 176.11 2jhq h PHE 144 N 0.11 -0.08 0.00 3.16 3.57 -0.74 -1.95 116.94 121.01 2jhq h PHE 144 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2jhq h PHE 144 Cb 0.06 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2jhq h PHE 144 CO -0.05 -0.06 0.00 1.79 -2.23 0.00 0.00 178.31 177.76 2jhq h THR 145 N -0.01 0.00 -0.46 4.41 1.35 -1.01 -0.84 112.91 116.34 2jhq h THR 145 Ca 0.06 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 2jhq h THR 145 Cb 0.11 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 2jhq h THR 145 CO -0.14 0.00 0.22 0.44 -0.25 0.00 0.00 175.52 175.79 2jhq h ASP 146 N 0.00 0.61 -0.36 5.36 3.32 -0.46 -1.40 116.42 123.49 2jhq h ASP 146 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 2jhq h ASP 146 Cb 0.68 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2jhq h ASP 146 CO 0.00 0.58 0.05 0.03 -1.72 0.00 0.00 179.24 178.17 2jhq h ARG 147 N 0.61 0.70 0.27 3.56 2.47 -0.46 -0.18 114.38 121.35 2jhq h ARG 147 Ca 0.16 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2jhq h ARG 147 Cb 0.13 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2jhq h ARG 147 CO -0.02 0.68 -0.13 0.28 0.56 0.00 0.00 179.97 181.34 2jhq h VAL 148 N 0.67 0.76 -0.74 2.04 2.07 -1.08 -0.66 116.25 119.31 2jhq h VAL 148 Ca 0.14 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2jhq h VAL 148 Cb 0.34 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2jhq h VAL 148 CO 0.01 0.04 0.27 0.40 0.02 0.00 0.00 177.57 178.31 2jhq h ILE 149 N -0.44 1.25 -0.90 4.57 1.08 -1.06 -1.80 117.51 120.21 2jhq h ILE 149 Ca -0.04 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 2jhq h ILE 149 Cb 0.33 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 2jhq h ILE 149 CO 0.06 0.33 0.50 -0.78 -0.69 0.00 0.00 178.15 177.57 2jhq h ASP 150 N 1.08 1.12 -0.32 1.72 3.58 -0.87 0.59 116.42 123.33 2jhq h ASP 150 Ca 0.24 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2jhq h ASP 150 Cb 0.24 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2jhq h ASP 150 CO -0.02 0.90 0.11 0.00 -2.88 0.00 0.00 179.24 177.34 2jhq h ALA 151 N 1.29 0.42 -0.70 -0.78 0.00 -0.55 0.12 119.26 119.05 2jhq h ALA 151 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jhq h ALA 151 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2jhq h ALA 151 CO -0.05 0.05 0.40 -0.07 0.00 0.00 0.00 179.25 179.57 2jhq h LEU 152 N 0.36 0.86 -0.25 0.00 3.38 -1.12 0.67 115.31 119.21 2jhq h LEU 152 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jhq h LEU 152 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jhq h LEU 152 CO -0.00 0.70 0.08 -1.13 0.09 0.00 0.00 178.44 178.17 2jhq h ASN 153 N 0.96 0.37 0.42 -0.43 -1.24 -0.46 -2.75 115.58 112.44 2jhq h ASN 153 Ca 0.25 -0.20 -0.31 0.00 0.71 0.00 0.00 56.30 56.74 2jhq h ASN 153 Cb 0.02 -0.10 0.02 0.00 0.73 0.00 0.00 38.32 38.99 2jhq h ASN 153 CO -0.04 0.47 -1.40 1.56 -1.29 0.00 0.00 177.43 176.73 2jhq h GLN 154 N 0.24 0.42 -0.35 6.67 1.08 -0.87 -3.38 115.11 118.92 2jhq h GLN 154 Ca 0.08 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 2jhq h GLN 154 Cb 0.24 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2jhq h GLN 154 CO -0.00 1.34 0.00 0.72 -0.95 0.00 0.00 178.83 179.94 2jhq n HIS 155 N -3.63 0.47 -4.36 2.96 8.25 0.22 -4.92 115.22 114.21 2jhq n HIS 155 Ca -0.14 -0.46 -0.18 0.00 -0.26 0.00 0.00 57.72 56.68 2jhq n HIS 155 Cb 1.07 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 32.06 2jhq n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jhq s ARG 156 N -1.00 1.39 0.03 -0.41 1.81 -1.04 -5.00 118.95 114.73 2jhq s ARG 156 Ca 0.25 -1.70 0.03 0.00 -1.72 0.00 0.00 55.73 52.59 2jhq s ARG 156 Cb 0.13 -0.80 -0.02 0.00 -0.45 0.00 0.00 34.95 33.81 2jhq s ARG 156 CO 0.17 -0.04 -0.10 -0.80 -0.68 0.00 0.00 175.30 173.85 2jhq s ASN 157 N -3.34 1.19 -0.37 0.23 0.01 -1.26 -4.79 114.94 106.61 2jhq s ASN 157 Ca 0.28 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2jhq s ASN 157 Cb 0.05 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.66 2jhq s ASN 157 CO 0.09 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.24 2jhq n GLY 158 N 1.89 0.62 3.78 0.66 0.00 0.70 -5.02 105.19 107.81 2jhq n GLY 158 Ca -0.19 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2jhq n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jhq s LEU 159 N -0.83 3.52 -0.26 0.99 1.43 -1.26 -4.76 118.68 117.51 2jhq s LEU 159 Ca 0.00 2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 55.02 2jhq s LEU 159 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 2jhq s LEU 159 CO 0.00 -1.39 0.10 -0.63 0.23 0.00 0.00 176.35 174.65 2jhq s ILE 160 N -2.21 4.52 -0.23 -0.59 1.09 -0.86 -0.54 121.20 122.39 2jhq s ILE 160 Ca 0.68 -0.10 -0.07 0.00 -1.10 0.00 0.00 60.65 60.05 2jhq s ILE 160 Cb -0.20 -3.13 -0.03 0.00 -1.06 0.00 0.00 42.46 38.04 2jhq s ILE 160 CO 0.36 0.32 0.07 -0.36 -0.10 0.00 0.00 174.94 175.23 2jhq s PHE 161 N 1.65 3.13 -0.49 3.97 0.08 -0.05 -0.52 117.98 125.74 2jhq s PHE 161 Ca 0.07 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 2jhq s PHE 161 Cb -0.15 -2.18 0.09 0.00 -0.57 0.00 0.00 43.02 40.21 2jhq s PHE 161 CO 0.05 -0.19 0.43 -0.51 -0.10 0.00 0.00 175.22 174.90 2jhq s LEU 162 N 1.20 5.81 -0.42 -0.37 1.43 0.08 -0.57 118.68 125.83 2jhq s LEU 162 Ca 0.05 -1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 51.54 2jhq s LEU 162 Cb -0.14 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 43.97 2jhq s LEU 162 CO 0.03 -0.72 0.28 -0.76 0.23 0.00 0.00 176.35 175.41 2jhq s LEU 163 N 1.62 5.20 -0.36 1.79 1.43 -0.03 -3.59 118.68 124.74 2jhq s LEU 163 Ca 0.04 -1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 51.59 2jhq s LEU 163 Cb -0.26 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 43.97 2jhq s LEU 163 CO 0.05 -0.55 0.17 0.26 0.23 0.00 0.00 176.35 176.51 2jhq s TRP 164 N 1.46 3.23 0.00 0.29 0.51 -1.25 -2.41 118.94 120.78 2jhq s TRP 164 Ca 0.03 -1.05 0.00 0.00 -2.12 0.00 0.00 56.10 52.96 2jhq s TRP 164 Cb -0.23 -2.38 0.00 0.00 -0.81 0.00 0.00 33.47 30.05 2jhq s TRP 164 CO 0.03 -0.65 0.00 0.41 -0.51 0.00 0.00 176.95 176.23 2jhq n GLY 165 N 4.94 0.37 0.23 0.98 0.00 0.94 -4.18 105.19 108.47 2jhq n GLY 165 Ca -0.12 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2jhq n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jhq h SER 166 N 0.00 0.66 -0.40 1.61 4.64 -1.94 -2.18 113.55 115.94 2jhq h SER 166 Ca 0.00 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2jhq h SER 166 Cb 0.00 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2jhq h SER 166 CO 0.00 1.03 0.22 -0.74 -0.87 0.00 0.00 176.83 176.47 2jhq h HIS 167 N 0.48 0.55 -0.29 4.77 -0.00 -2.00 0.02 115.15 118.69 2jhq h HIS 167 Ca 0.03 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.28 2jhq h HIS 167 Cb 1.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.22 2jhq h HIS 167 CO 0.04 0.43 -0.26 0.00 -0.00 0.00 0.00 177.93 178.14 2jhq h ALA 168 N 1.08 0.99 -0.35 5.26 0.00 -1.72 -0.59 119.26 123.93 2jhq h ALA 168 Ca 0.14 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2jhq h ALA 168 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jhq h ALA 168 CO -0.02 0.60 -0.44 1.96 0.00 0.00 0.00 179.25 181.34 2jhq h GLN 169 N 0.51 0.90 -0.62 0.00 4.20 -1.16 -1.79 115.11 117.16 2jhq h GLN 169 Ca 0.07 -0.51 -0.08 0.00 0.06 0.00 0.00 58.65 58.19 2jhq h GLN 169 Cb 0.72 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 2jhq h GLN 169 CO 0.06 1.16 0.06 -0.22 -0.67 0.00 0.00 178.83 179.21 2jhq h LYS 170 N 0.72 1.04 -0.59 1.46 3.64 -0.82 -2.71 116.57 119.31 2jhq h LYS 170 Ca 0.04 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2jhq h LYS 170 Cb 1.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2jhq h LYS 170 CO 0.10 0.98 0.39 -0.22 -2.27 0.00 0.00 179.45 178.44 2jhq h LYS 171 N 0.97 0.59 -0.64 1.90 1.63 -0.80 -2.07 116.57 118.14 2jhq h LYS 171 Ca 0.18 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2jhq h LYS 171 Cb 0.48 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2jhq h LYS 171 CO 0.02 0.39 0.00 0.41 -3.45 0.00 0.00 179.45 176.82 2jhq n GLY 172 N -1.48 2.69 0.29 5.01 0.00 -0.70 -4.61 105.19 106.40 2jhq n GLY 172 Ca 0.08 -0.79 0.18 0.00 0.00 0.00 0.00 46.02 45.49 2jhq n GLY 172 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jhq h GLN 173 N 3.51 0.00 -0.09 1.61 3.07 -1.23 -1.85 115.11 120.13 2jhq h GLN 173 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jhq h GLN 173 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.24 2jhq h GLN 173 CO 0.38 0.04 0.00 -1.33 0.09 0.00 0.00 178.83 178.01 2jhq n MET 174 N -3.28 2.24 -1.90 0.06 2.81 -1.26 -4.95 117.12 110.84 2jhq n MET 174 Ca -0.01 -1.94 -0.42 0.00 -1.81 0.00 0.00 57.70 53.52 2jhq n MET 174 Cb 0.20 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 2jhq n MET 174 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2jhq s ILE 175 N -1.83 2.45 -0.48 2.02 1.01 -0.70 -4.92 121.20 118.74 2jhq s ILE 175 Ca 0.29 0.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 2jhq s ILE 175 Cb 0.20 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.45 2jhq s ILE 175 CO 0.29 0.04 1.50 -0.62 0.00 0.00 0.00 174.94 176.16 2jhq s ASP 176 N 0.74 6.10 0.00 3.58 -1.08 -1.26 -4.87 116.67 119.89 2jhq s ASP 176 Ca 0.65 0.63 0.22 0.00 -0.52 0.00 0.00 52.55 53.54 2jhq s ASP 176 Cb -0.45 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.54 2jhq s ASP 176 CO 0.39 -1.66 1.71 0.54 0.52 0.00 0.00 175.17 176.67 2jhq n ARG 177 N 8.45 0.23 0.02 4.34 1.74 -1.26 -1.03 116.66 129.15 2jhq n ARG 177 Ca 0.16 0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 57.11 2jhq n ARG 177 Cb 0.49 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 2jhq n ARG 177 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2jhq h GLN 178 N 0.00 0.29 0.00 5.56 4.20 -2.03 -3.39 115.11 119.74 2jhq h GLN 178 Ca 0.00 -0.49 -0.12 0.00 0.06 0.00 0.00 58.65 58.10 2jhq h GLN 178 Cb 0.25 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2jhq h GLN 178 CO 0.00 1.24 -0.68 0.00 -0.67 0.00 0.00 178.83 178.72 2jhq h ARG 179 N 0.07 0.00 -5.52 1.46 3.08 -1.90 -3.46 114.38 108.10 2jhq h ARG 179 Ca -0.41 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.20 2jhq h ARG 179 Cb 2.04 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.94 2jhq h ARG 179 CO 0.10 0.50 -0.74 -1.01 -1.07 0.00 0.00 179.97 177.76 2jhq s HIS 180 N -2.94 1.62 -0.37 3.04 3.76 -0.19 -0.22 115.29 120.00 2jhq s HIS 180 Ca 0.03 -0.58 -0.08 0.00 -0.15 0.00 0.00 55.06 54.27 2jhq s HIS 180 Cb 0.08 -0.78 0.04 0.00 1.11 0.00 0.00 32.58 33.03 2jhq s HIS 180 CO 0.76 0.29 0.17 -1.01 -0.85 0.00 0.00 174.74 174.10 2jhq s HIS 181 N -2.82 3.27 -0.18 1.40 3.76 0.30 -4.37 115.29 116.65 2jhq s HIS 181 Ca 0.19 -1.31 -0.07 0.00 -0.15 0.00 0.00 55.06 53.72 2jhq s HIS 181 Cb -0.01 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 2jhq s HIS 181 CO 0.05 -0.73 0.06 0.08 -0.85 0.00 0.00 174.74 173.36 2jhq s VAL 182 N 1.45 4.77 -0.11 -0.90 1.01 -1.26 -0.87 120.40 124.49 2jhq s VAL 182 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2jhq s VAL 182 Cb -0.20 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2jhq s VAL 182 CO 0.04 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.63 2jhq s LEU 183 N 0.40 2.29 -0.07 3.92 1.43 0.26 -4.96 118.68 121.95 2jhq s LEU 183 Ca 0.03 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2jhq s LEU 183 Cb -0.12 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jhq s LEU 183 CO 0.00 0.17 -0.10 -0.04 0.23 0.00 0.00 176.35 176.60 2jhq s MET 184 N 0.32 2.74 0.19 1.70 -1.94 -1.26 -0.85 119.30 120.19 2jhq s MET 184 Ca -0.16 -0.62 -0.18 0.00 -1.71 0.00 0.00 55.69 53.02 2jhq s MET 184 Cb -0.17 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 34.18 2jhq s MET 184 CO 0.08 0.59 0.52 0.00 -0.01 0.00 0.00 175.02 176.20 2jhq s ALA 185 N -0.63 -0.95 0.97 3.03 0.00 -1.01 -5.00 121.76 118.16 2jhq s ALA 185 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2jhq s ALA 185 Cb -0.11 0.85 0.17 0.00 0.00 0.00 0.00 23.12 24.02 2jhq s ALA 185 CO 0.01 -0.79 1.09 -2.14 0.00 0.00 0.00 175.76 173.93 2jhq s PRO 186 N -3.87 0.66 0.37 0.00 0.02 -1.26 -0.04 135.00 130.88 2jhq s PRO 186 Ca 0.09 1.01 -0.28 0.00 0.02 0.00 0.00 61.00 61.83 2jhq s PRO 186 Cb -0.01 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.67 2jhq s PRO 186 CO -0.04 -2.70 1.47 1.58 -0.33 0.00 0.00 177.00 176.98 2jhq n HIS 187 N -4.23 2.92 1.37 6.54 -0.00 -1.26 -4.06 115.22 116.51 2jhq n HIS 187 Ca 0.07 0.46 0.12 0.00 0.46 0.00 0.00 57.72 58.83 2jhq n HIS 187 Cb 0.54 -2.52 0.68 0.00 -0.12 0.00 0.00 29.99 28.57 2jhq n HIS 187 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2jhq n PRO 188 N 0.46 0.60 -1.54 1.57 -0.04 -1.26 -2.89 135.00 131.90 2jhq n PRO 188 Ca 0.02 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 2jhq n PRO 188 Cb 0.39 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2jhq n PRO 188 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jhq n SER 189 N -1.11 0.11 0.20 3.54 2.88 -1.26 -4.42 113.62 113.56 2jhq n SER 189 Ca 0.16 0.91 0.17 0.00 -1.33 0.00 0.00 58.87 58.78 2jhq n SER 189 Cb 0.12 -1.25 0.73 0.00 -0.75 0.00 0.00 64.21 63.07 2jhq n SER 189 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2jhq h PRO 190 N 0.94 0.00 0.00 -1.46 0.11 -1.88 0.13 132.00 129.84 2jhq h PRO 190 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2jhq h PRO 190 Cb 1.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 2jhq h PRO 190 CO 0.53 0.00 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.18 2jhq h LEU 191 N 0.00 0.00 -0.05 2.35 3.38 -1.90 -3.34 115.31 115.76 2jhq h LEU 191 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jhq h LEU 191 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jhq h LEU 191 CO -0.00 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.06 2jhq n SER 192 N -3.34 0.05 -0.21 -0.43 3.41 -0.38 -4.92 113.62 107.79 2jhq n SER 192 Ca -0.01 -0.41 0.07 0.00 -0.26 0.00 0.00 58.87 58.26 2jhq n SER 192 Cb 0.24 0.08 0.34 0.00 -0.26 0.00 0.00 64.21 64.61 2jhq n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jhq h ALA 193 N 0.00 1.69 -0.06 7.33 0.00 -0.67 -0.98 119.26 126.57 2jhq h ALA 193 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jhq h ALA 193 Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jhq h ALA 193 CO 0.00 0.18 0.00 0.72 0.00 0.00 0.00 179.25 180.15 2jhq n HIS 194 N -4.49 0.07 -1.81 0.00 8.25 -1.26 -1.11 115.22 114.87 2jhq n HIS 194 Ca 0.12 -0.04 -0.17 0.00 -0.26 0.00 0.00 57.72 57.37 2jhq n HIS 194 Cb 0.25 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.44 2jhq n HIS 194 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jhq n ARG 195 N -0.10 2.95 0.00 -0.41 1.74 -0.37 -4.89 116.66 115.57 2jhq n ARG 195 Ca 0.18 -3.81 0.00 0.00 -0.77 0.00 0.00 57.85 53.45 2jhq n ARG 195 Cb 0.26 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 2jhq n ARG 195 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jhq n GLY 196 N -0.86 0.92 0.11 -0.13 0.00 -1.23 -4.86 105.19 99.14 2jhq n GLY 196 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2jhq n GLY 196 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jhq h PHE 197 N 0.00 -0.12 -2.57 1.61 3.57 -1.58 -3.38 116.94 114.47 2jhq h PHE 197 Ca 0.00 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 2jhq h PHE 197 Cb 0.00 0.04 0.03 0.00 2.79 0.00 0.00 35.95 38.81 2jhq h PHE 197 CO 0.00 0.39 1.09 -0.51 -2.23 0.00 0.00 178.31 177.05 2jhq s LEU 198 N -8.82 4.39 0.00 0.59 1.43 -0.27 -0.71 118.68 115.29 2jhq s LEU 198 Ca -0.13 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2jhq s LEU 198 Cb -0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2jhq s LEU 198 CO 0.50 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.71 2jhq n GLY 199 N 4.19 0.15 0.28 -3.19 0.00 -1.26 -4.95 105.19 100.40 2jhq n GLY 199 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 2jhq n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jhq n ARG 201 N -3.39 -4.84 0.23 0.00 1.74 -1.26 -4.87 116.66 104.26 2jhq n ARG 201 Ca -0.01 0.63 0.09 0.00 -0.77 0.00 0.00 57.85 57.79 2jhq n ARG 201 Cb 0.24 -5.47 0.53 0.00 -1.02 0.00 0.00 32.46 26.73 2jhq n ARG 201 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jhq h HIS 202 N -1.63 0.00 0.12 -1.55 3.86 -1.92 -1.91 115.15 112.11 2jhq h HIS 202 Ca -0.52 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.49 2jhq h HIS 202 Cb 1.35 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.84 2jhq h HIS 202 CO 0.59 0.23 -0.82 0.74 0.86 0.00 0.00 177.93 179.53 2jhq h PHE 203 N 0.00 0.59 -0.51 2.45 0.04 -1.96 0.51 116.94 118.05 2jhq h PHE 203 Ca -0.00 -0.41 -0.06 0.00 2.80 0.00 0.00 57.97 60.30 2jhq h PHE 203 Cb 0.61 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 2jhq h PHE 203 CO 0.00 1.30 0.09 0.66 -0.60 0.00 0.00 178.31 179.76 2jhq h SER 204 N -0.28 0.81 -0.37 2.17 4.64 -1.83 -2.44 113.55 116.25 2jhq h SER 204 Ca -0.14 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2jhq h SER 204 Cb 1.62 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 2jhq h SER 204 CO 0.16 0.85 0.24 0.11 -0.87 0.00 0.00 176.83 177.32 2jhq h LYS 205 N 0.73 0.48 -0.45 4.77 1.57 -1.32 -0.54 116.57 121.80 2jhq h LYS 205 Ca 0.16 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2jhq h LYS 205 Cb 0.38 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2jhq h LYS 205 CO 0.01 0.32 -0.06 1.15 -0.57 0.00 0.00 179.45 180.29 2jhq h THR 206 N 0.49 0.59 -0.51 -0.16 2.02 -0.85 -0.89 112.91 113.60 2jhq h THR 206 Ca 0.14 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 2jhq h THR 206 Cb -0.05 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2jhq h THR 206 CO -0.03 0.01 0.13 0.78 0.37 0.00 0.00 175.52 176.77 2jhq h ASN 207 N 0.05 0.73 -0.50 4.18 2.35 -0.90 0.22 115.58 121.70 2jhq h ASN 207 Ca 0.22 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2jhq h ASN 207 Cb 0.33 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2jhq h ASN 207 CO -0.42 0.72 0.25 -0.61 -1.65 0.00 0.00 177.43 175.71 2jhq h GLN 208 N 0.76 0.71 -0.52 0.81 -0.00 -0.54 0.08 115.11 116.41 2jhq h GLN 208 Ca 0.17 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.65 58.61 2jhq h GLN 208 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 2jhq h GLN 208 CO -0.00 0.59 -0.10 -0.07 0.00 0.00 0.00 178.83 179.25 2jhq h LEU 209 N 0.66 0.95 -0.08 -2.39 3.38 -0.66 -0.91 115.31 116.26 2jhq h LEU 209 Ca 0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jhq h LEU 209 Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jhq h LEU 209 CO -0.02 1.06 0.03 -0.07 0.09 0.00 0.00 178.44 179.52 2jhq h LEU 210 N 0.85 0.12 -1.32 1.67 3.38 -0.66 -2.88 115.31 116.48 2jhq h LEU 210 Ca 0.14 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2jhq h LEU 210 Cb 0.63 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2jhq h LEU 210 CO 0.04 0.29 0.50 1.56 0.09 0.00 0.00 178.44 180.93 2jhq h GLN 211 N -0.05 0.81 0.00 1.13 4.20 -0.89 -0.38 115.11 119.92 2jhq h GLN 211 Ca 0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jhq h GLN 211 Cb 0.21 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2jhq h GLN 211 CO -0.00 0.53 -0.07 0.00 -0.67 0.00 0.00 178.83 178.63 2jhq h ALA 212 N 1.58 1.43 -0.02 3.87 0.00 -0.95 -1.15 119.26 124.02 2jhq h ALA 212 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jhq h ALA 212 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jhq h ALA 212 CO -0.11 0.08 -0.13 1.04 0.00 0.00 0.00 179.25 180.13 2jhq n GLN 213 N -3.79 1.52 -1.04 0.00 6.02 -0.26 -4.93 117.38 114.89 2jhq n GLN 213 Ca -0.02 -1.04 -0.01 0.00 -0.01 0.00 0.00 57.00 55.91 2jhq n GLN 213 Cb 0.16 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 2jhq n GLN 213 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jhq n GLY 214 N 1.28 0.49 3.88 1.08 0.00 -0.43 -5.04 105.19 106.46 2jhq n GLY 214 Ca 0.15 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 2jhq n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jhq s ILE 215 N -2.05 5.48 0.29 -0.61 1.01 -0.57 -5.00 121.20 119.76 2jhq s ILE 215 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 2jhq s ILE 215 Cb 0.00 -3.43 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 2jhq s ILE 215 CO 0.00 0.55 1.59 0.00 0.00 0.00 0.00 174.94 177.07 2jhq s ALA 216 N -1.10 3.74 0.75 9.38 0.00 -1.26 -3.39 121.76 129.88 2jhq s ALA 216 Ca 0.18 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 2jhq s ALA 216 Cb -0.12 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.40 2jhq s ALA 216 CO 0.08 -0.97 1.09 -1.25 0.00 0.00 0.00 175.76 174.70 2jhq s PRO 217 N -0.52 2.39 0.08 0.00 0.04 -1.26 -4.87 135.00 130.85 2jhq s PRO 217 Ca 0.63 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 2jhq s PRO 217 Cb -0.47 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2jhq s PRO 217 CO 0.48 -1.54 1.14 0.42 0.04 0.00 0.00 177.00 177.54 2jhq s ILE 218 N -2.88 4.15 -0.61 0.56 -1.09 -1.26 -4.99 121.20 115.09 2jhq s ILE 218 Ca 0.61 1.61 -0.26 0.00 -2.23 0.00 0.00 60.65 60.38 2jhq s ILE 218 Cb -0.17 -4.03 0.04 0.00 -1.58 0.00 0.00 42.46 36.72 2jhq s ILE 218 CO 0.55 0.16 1.08 0.21 -1.23 0.00 0.00 174.94 175.70 2jhq s ASN 219 N 0.79 6.32 0.11 3.58 3.84 -1.26 -4.91 114.94 123.41 2jhq s ASN 219 Ca 0.55 -0.32 0.24 0.00 0.21 0.00 0.00 52.86 53.54 2jhq s ASN 219 Cb -0.28 -2.49 0.93 0.00 -0.55 0.00 0.00 41.25 38.86 2jhq s ASN 219 CO 0.30 -1.43 1.73 0.79 -2.79 0.00 0.00 177.10 175.70 2jhq n TRP 220 N 8.11 0.41 -2.09 0.43 7.02 -1.26 -4.72 117.44 125.33 2jhq n TRP 220 Ca 0.03 0.14 -0.43 0.00 -1.02 0.00 0.00 57.50 56.22 2jhq n TRP 220 Cb 0.48 -0.72 -0.03 0.00 -2.42 0.00 0.00 31.31 28.62 2jhq n TRP 220 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2jhq s GLN 221 N -3.09 3.43 0.29 -0.99 2.00 -1.26 -4.96 119.66 115.08 2jhq s GLN 221 Ca 0.09 1.32 -0.29 0.00 -2.00 0.00 0.00 55.36 54.48 2jhq s GLN 221 Cb 0.13 -4.14 -0.10 0.00 0.80 0.00 0.00 33.01 29.70 2jhq s GLN 221 CO 0.45 -1.74 1.25 -2.14 -0.50 0.00 0.00 175.29 172.61 2jhq s PRO 222 N 5.41 4.44 -0.08 1.67 0.02 -1.26 -5.00 135.00 140.19 2jhq s PRO 222 Ca 0.75 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.84 2jhq s PRO 222 Cb -0.20 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.16 2jhq s PRO 222 CO 0.33 -0.10 -0.02 -1.21 -0.33 0.00 0.00 177.00 175.68 2jhq s GLU 223 N -1.38 2.92 0.55 5.54 0.41 -1.26 -5.03 118.70 120.45 2jhq s GLU 223 Ca 0.49 -0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.47 2jhq s GLU 223 Cb -0.37 -2.74 -0.06 0.00 -1.78 0.00 0.00 34.13 29.18 2jhq s GLU 223 CO 0.47 0.69 0.99 -0.51 -0.49 0.00 0.00 175.26 176.41 2jhq s LEU 224 N -0.85 3.47 0.68 1.80 1.43 -1.26 -4.52 118.68 119.43 2jhq s LEU 224 Ca 0.13 1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 54.54 2jhq s LEU 224 Cb -0.11 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.58 2jhq s LEU 224 CO 0.02 -0.70 0.46 -1.84 0.23 0.00 0.00 176.35 174.52 2jhq n GLU 225 N -2.07 0.34 0.00 1.70 0.00 -1.26 -5.12 120.64 114.23 2jhq n GLU 225 Ca 0.06 0.15 0.13 0.00 0.00 0.00 0.00 57.16 57.50 2jhq n GLU 225 Cb 0.54 -1.73 0.41 0.00 0.00 0.00 0.00 31.44 30.66 2jhq n GLU 225 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56