#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4y s PHE 3 N 0.00 -0.02 0.04 0.00 -0.12 -1.26 -1.41 117.98 115.21 1h4y s PHE 3 Ca 0.00 -0.35 -0.08 0.00 -0.05 0.00 0.00 56.93 56.45 1h4y s PHE 3 Cb 0.00 0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 42.52 1h4y s PHE 3 CO 0.00 -0.67 0.16 1.14 -0.05 0.00 0.00 175.22 175.80 1h4y s GLN 4 N -3.85 0.65 -0.01 1.99 -2.07 -0.38 -4.98 119.66 111.01 1h4y s GLN 4 Ca 0.06 -0.64 0.06 0.00 -1.82 0.00 0.00 55.36 53.01 1h4y s GLN 4 Cb 0.03 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1h4y s GLN 4 CO -0.10 -0.18 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.01 1h4y s LEU 5 N -2.04 2.57 -0.07 2.60 1.43 -1.26 -0.70 118.68 121.21 1h4y s LEU 5 Ca -0.06 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1h4y s LEU 5 Cb -0.02 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1h4y s LEU 5 CO -0.04 0.30 -0.02 -0.70 0.23 0.00 0.00 176.35 176.12 1h4y s GLU 6 N -1.00 0.84 -0.62 1.70 2.12 0.04 -5.01 118.70 116.77 1h4y s GLU 6 Ca 0.13 -0.01 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 1h4y s GLU 6 Cb -0.10 -1.06 0.05 0.00 0.26 0.00 0.00 34.13 33.27 1h4y s GLU 6 CO 0.02 -0.25 1.03 -1.64 -0.54 0.00 0.00 175.26 173.88 1h4y s MET 7 N 1.69 3.24 0.11 4.30 -1.94 -1.26 -0.83 119.30 124.61 1h4y s MET 7 Ca 0.01 -0.41 -0.15 0.00 -1.71 0.00 0.00 55.69 53.43 1h4y s MET 7 Cb -0.13 -4.13 -0.05 0.00 2.01 0.00 0.00 34.83 32.53 1h4y s MET 7 CO -0.05 -1.73 1.49 0.28 -0.01 0.00 0.00 175.02 175.01 1h4y h VAL 8 N 6.02 1.28 -4.74 -6.03 2.07 -1.49 -3.46 116.25 109.90 1h4y h VAL 8 Ca -0.27 -1.21 -0.43 0.00 0.82 0.00 0.00 66.70 65.60 1h4y h VAL 8 Cb 1.07 1.36 -0.13 0.00 -1.52 0.00 0.00 31.29 32.06 1h4y h VAL 8 CO 1.16 0.39 -0.52 0.42 0.02 0.00 0.00 177.57 179.05 1h4y s THR 9 N -4.69 0.03 -0.25 2.57 -4.23 -1.19 -4.98 115.64 102.89 1h4y s THR 9 Ca -0.13 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1h4y s THR 9 Cb 0.09 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.71 1h4y s THR 9 CO 0.80 0.00 1.78 0.08 -0.54 0.00 0.00 174.62 176.75 1h4y h ARG 10 N 2.21 0.00 0.00 3.99 0.11 -1.94 -2.95 114.38 115.80 1h4y h ARG 10 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1h4y h ARG 10 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1h4y h ARG 10 CO 0.40 0.00 -1.10 0.39 0.10 0.00 0.00 179.97 179.76 1h4y n GLU 11 N -2.42 0.91 -4.18 0.08 1.02 -1.26 -3.04 120.64 111.75 1h4y n GLU 11 Ca 0.01 -0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.82 1h4y n GLU 11 Cb 0.18 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.06 1h4y n GLU 11 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1h4y s THR 12 N -2.85 1.34 -0.07 2.62 2.01 -1.12 -0.44 115.64 117.12 1h4y s THR 12 Ca 0.03 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1h4y s THR 12 Cb 0.13 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1h4y s THR 12 CO 0.75 0.41 -0.12 0.54 -0.69 0.00 0.00 174.62 175.51 1h4y s VAL 13 N 1.31 3.20 -0.19 3.82 0.11 -0.54 -1.12 120.40 126.99 1h4y s VAL 13 Ca -0.01 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 1h4y s VAL 13 Cb -0.14 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 1h4y s VAL 13 CO -0.06 0.57 0.08 -0.69 -3.33 0.00 0.00 175.10 171.68 1h4y s VAL 14 N -0.46 4.98 -0.28 2.04 1.01 -0.01 -0.88 120.40 126.80 1h4y s VAL 14 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1h4y s VAL 14 Cb -0.12 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1h4y s VAL 14 CO 0.02 0.45 0.02 -0.63 0.00 0.00 0.00 175.10 174.97 1h4y s ILE 15 N 0.37 3.51 -0.18 2.22 1.01 0.07 -0.78 121.20 127.42 1h4y s ILE 15 Ca 0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1h4y s ILE 15 Cb -0.12 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1h4y s ILE 15 CO -0.01 0.11 0.26 -0.13 0.00 0.00 0.00 174.94 175.17 1h4y s ARG 16 N 1.42 4.22 -0.09 2.79 0.52 0.12 0.05 118.95 127.98 1h4y s ARG 16 Ca 0.01 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1h4y s ARG 16 Cb -0.17 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 1h4y s ARG 16 CO -0.00 0.21 -0.09 -0.51 0.02 0.00 0.00 175.30 174.93 1h4y s LEU 17 N 0.58 3.01 0.08 2.53 1.02 -0.66 -1.25 118.68 124.00 1h4y s LEU 17 Ca 0.14 -0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.05 1h4y s LEU 17 Cb -0.13 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1h4y s LEU 17 CO 0.03 0.28 0.23 0.72 0.02 0.00 0.00 176.35 177.63 1h4y s PHE 18 N -0.33 0.06 0.00 0.29 -0.12 -0.50 -3.15 117.98 114.23 1h4y s PHE 18 Ca 0.04 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1h4y s PHE 18 Cb -0.13 0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.27 1h4y s PHE 18 CO 0.02 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 175.06 1h4y n GLY 19 N 0.07 2.36 3.25 1.99 0.00 -1.10 -0.55 105.19 111.21 1h4y n GLY 19 Ca -0.16 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1h4y n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4y s GLU 20 N 0.00 1.19 -0.52 1.61 2.02 -1.26 -2.35 118.70 119.40 1h4y s GLU 20 Ca 0.00 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 53.81 1h4y s GLU 20 Cb 0.00 -1.35 0.08 0.00 0.10 0.00 0.00 34.13 32.96 1h4y s GLU 20 CO 0.00 0.33 0.55 -1.17 0.02 0.00 0.00 175.26 174.99 1h4y s LEU 21 N -1.50 5.45 0.55 1.80 2.96 -0.60 -1.44 118.68 125.90 1h4y s LEU 21 Ca 0.06 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 52.60 1h4y s LEU 21 Cb -0.09 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1h4y s LEU 21 CO 0.03 -0.85 0.91 -1.81 -1.32 0.00 0.00 176.35 173.30 1h4y s ASP 22 N 2.99 6.25 0.22 3.68 1.01 -1.26 -2.85 116.67 126.70 1h4y s ASP 22 Ca 0.09 1.18 -0.11 0.00 0.71 0.00 0.00 52.55 54.42 1h4y s ASP 22 Cb -0.23 -2.36 0.30 0.00 1.01 0.00 0.00 42.92 41.64 1h4y s ASP 22 CO 0.08 -0.73 1.66 -0.74 0.21 0.00 0.00 175.17 175.65 1h4y h HIS 23 N -0.05 -0.07 0.00 4.23 -0.00 -1.98 -1.25 115.15 116.02 1h4y h HIS 23 Ca -0.45 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 59.90 1h4y h HIS 23 Cb 1.20 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.73 1h4y h HIS 23 CO 0.62 -0.18 -0.28 1.12 -0.00 0.00 0.00 177.93 179.21 1h4y h HIS 24 N 0.10 0.00 0.02 5.26 2.07 -2.02 -2.75 115.15 117.84 1h4y h HIS 24 Ca 0.33 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.63 1h4y h HIS 24 Cb 0.54 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.49 1h4y h HIS 24 CO -0.38 0.28 -1.03 0.00 -3.07 0.00 0.00 177.93 173.73 1h4y h ALA 25 N 1.72 0.32 -0.29 6.11 0.00 -1.64 -3.07 119.26 122.40 1h4y h ALA 25 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 54.91 54.04 1h4y h ALA 25 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1h4y h ALA 25 CO 0.04 1.18 0.12 0.28 0.00 0.00 0.00 179.25 180.87 1h4y h VAL 26 N 0.02 0.95 -0.35 0.00 2.07 -1.02 -0.52 116.25 117.40 1h4y h VAL 26 Ca -0.03 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1h4y h VAL 26 Cb 1.79 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1h4y h VAL 26 CO 0.14 0.05 0.06 -0.08 0.02 0.00 0.00 177.57 177.76 1h4y h GLU 27 N 0.26 0.52 -0.39 1.57 4.57 -1.60 -0.77 114.58 118.74 1h4y h GLU 27 Ca 0.12 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1h4y h GLU 27 Cb 0.07 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1h4y h GLU 27 CO -0.11 0.50 0.15 0.37 -1.18 0.00 0.00 179.01 178.74 1h4y h GLN 28 N 0.51 0.59 -0.37 1.92 4.15 -1.34 -1.81 115.11 118.76 1h4y h GLN 28 Ca 0.12 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 1h4y h GLN 28 Cb 0.24 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1h4y h GLN 28 CO 0.00 0.56 -0.04 0.82 -1.93 0.00 0.00 178.83 178.24 1h4y h ILE 29 N 0.49 1.27 -0.34 2.39 2.04 -0.75 -1.99 117.51 120.61 1h4y h ILE 29 Ca 0.13 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.97 1h4y h ILE 29 Cb 0.20 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1h4y h ILE 29 CO -0.01 0.36 0.05 -0.09 0.00 0.00 0.00 178.15 178.46 1h4y h ARG 30 N 0.48 0.16 -0.32 2.37 2.43 -0.99 -1.33 114.38 117.19 1h4y h ARG 30 Ca 0.10 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1h4y h ARG 30 Cb 0.53 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1h4y h ARG 30 CO 0.03 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 1h4y h ALA 31 N 1.27 0.43 -0.05 2.80 0.00 -1.18 -0.66 119.26 121.86 1h4y h ALA 31 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h4y h ALA 31 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1h4y h ALA 31 CO -0.23 0.18 0.02 -0.22 0.00 0.00 0.00 179.25 179.00 1h4y h LYS 32 N 0.36 0.07 -0.04 0.00 1.63 -1.15 -1.99 116.57 115.45 1h4y h LYS 32 Ca 0.09 -0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.66 1h4y h LYS 32 Cb 0.44 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1h4y h LYS 32 CO 0.02 0.20 -0.88 0.82 -3.45 0.00 0.00 179.45 176.16 1h4y h ILE 33 N -0.08 1.36 -0.36 2.00 1.08 -1.25 -1.45 117.51 118.81 1h4y h ILE 33 Ca 0.02 -2.27 0.07 0.00 -0.39 0.00 0.00 64.86 62.28 1h4y h ILE 33 Cb 0.16 2.27 -0.06 0.00 -3.07 0.00 0.00 36.82 36.12 1h4y h ILE 33 CO -0.00 0.69 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.85 1h4y h SER 34 N 0.31 -0.18 -0.56 1.72 0.87 -1.06 -1.62 113.55 113.02 1h4y h SER 34 Ca -0.07 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1h4y h SER 34 Cb 1.50 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.59 1h4y h SER 34 CO 0.16 -0.05 0.09 0.74 -0.53 0.00 0.00 176.83 177.24 1h4y h THR 35 N 0.08 1.25 -0.28 2.23 2.02 -1.25 -1.16 112.91 115.80 1h4y h THR 35 Ca 0.18 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1h4y h THR 35 Cb 0.25 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1h4y h THR 35 CO -0.31 0.36 0.03 0.00 0.37 0.00 0.00 175.52 175.98 1h4y h ALA 36 N 1.18 1.54 0.07 6.16 0.00 -0.68 0.56 119.26 128.09 1h4y h ALA 36 Ca 0.19 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1h4y h ALA 36 Cb 0.41 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h4y h ALA 36 CO 0.01 0.34 -1.13 0.82 0.00 0.00 0.00 179.25 179.29 1h4y h ILE 37 N 0.40 1.36 0.03 0.00 2.04 -1.08 -1.94 117.51 118.32 1h4y h ILE 37 Ca 0.09 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.41 1h4y h ILE 37 Cb 0.22 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1h4y h ILE 37 CO 0.00 0.76 -0.01 0.15 0.00 0.00 0.00 178.15 179.05 1h4y h PHE 38 N 0.24 -0.03 0.00 1.37 3.57 -0.85 -3.32 116.94 117.92 1h4y h PHE 38 Ca -0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1h4y h PHE 38 Cb 1.79 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.54 1h4y h PHE 38 CO 0.09 0.51 -0.41 1.96 -2.23 0.00 0.00 178.31 178.23 1h4y h GLN 39 N -0.60 0.00 0.00 1.11 4.20 -1.04 -3.47 115.11 115.31 1h4y h GLN 39 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h4y h GLN 39 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1h4y h GLN 39 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1h4y n GLY 40 N 1.17 3.10 0.05 3.46 0.00 -0.73 -5.06 105.19 107.19 1h4y n GLY 40 Ca 0.03 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.24 1h4y n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4y n ALA 41 N -3.00 1.68 -1.69 4.61 0.00 -1.26 -4.89 120.51 115.97 1h4y n ALA 41 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 1h4y n ALA 41 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1h4y n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1h4y s VAL 42 N -0.78 2.51 0.00 0.00 1.01 -1.17 -4.25 120.40 117.72 1h4y s VAL 42 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1h4y s VAL 42 Cb 0.03 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1h4y s VAL 42 CO 0.00 -0.00 0.12 0.35 0.00 0.00 0.00 175.10 175.57 1h4y n THR 43 N 4.78 0.00 -3.88 3.92 -2.24 0.42 -4.83 114.28 112.46 1h4y n THR 43 Ca 0.18 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 1h4y n THR 43 Cb 0.38 1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 1h4y n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h4y s THR 44 N -0.45 0.08 -0.17 4.28 2.01 -0.83 -0.95 115.64 119.61 1h4y s THR 44 Ca 0.00 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 1h4y s THR 44 Cb 0.00 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1h4y s THR 44 CO 0.00 0.09 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.26 1h4y s ILE 45 N 0.74 2.71 -0.36 1.82 1.01 -0.82 -1.47 121.20 124.84 1h4y s ILE 45 Ca -0.07 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1h4y s ILE 45 Cb -0.10 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1h4y s ILE 45 CO -0.02 0.50 0.20 -0.63 0.00 0.00 0.00 174.94 175.00 1h4y s ILE 46 N 1.00 4.71 -0.55 2.92 1.01 -0.06 -1.32 121.20 128.91 1h4y s ILE 46 Ca -0.02 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.76 1h4y s ILE 46 Cb -0.15 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1h4y s ILE 46 CO -0.03 -0.14 0.76 0.26 0.00 0.00 0.00 174.94 175.79 1h4y s TRP 47 N 1.60 2.93 -0.56 3.97 0.52 -0.02 -0.75 118.94 126.63 1h4y s TRP 47 Ca 0.03 -0.43 -0.21 0.00 0.02 0.00 0.00 56.10 55.51 1h4y s TRP 47 Cb -0.18 -3.83 0.06 0.00 -1.15 0.00 0.00 33.47 28.37 1h4y s TRP 47 CO 0.07 -1.22 0.79 1.21 0.02 0.00 0.00 176.95 177.82 1h4y s ASN 48 N 2.94 6.24 0.00 2.95 3.84 0.11 -0.44 114.94 130.57 1h4y s ASN 48 Ca 0.20 -0.87 0.17 0.00 0.21 0.00 0.00 52.86 52.57 1h4y s ASN 48 Cb -0.17 -2.36 0.50 0.00 -0.55 0.00 0.00 41.25 38.67 1h4y s ASN 48 CO 0.13 -1.13 1.40 0.49 -2.79 0.00 0.00 177.10 175.20 1h4y n PHE 49 N 6.85 0.48 -0.27 0.43 3.72 -0.20 -1.65 117.46 126.83 1h4y n PHE 49 Ca -0.04 -0.24 0.06 0.00 -0.05 0.00 0.00 57.45 57.18 1h4y n PHE 49 Cb 0.45 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.20 1h4y n PHE 49 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1h4y h GLU 50 N 2.69 0.44 -0.67 -1.08 4.81 -1.61 -1.80 114.58 117.35 1h4y h GLU 50 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1h4y h GLU 50 Cb 0.60 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1h4y h GLU 50 CO 0.00 0.29 0.00 0.54 -0.73 0.00 0.00 179.01 179.11 1h4y n ARG 51 N -5.00 2.87 -3.19 1.92 5.12 -1.25 -4.74 116.66 112.39 1h4y n ARG 51 Ca 0.15 -2.50 -0.41 0.00 -1.93 0.00 0.00 57.85 53.16 1h4y n ARG 51 Cb 0.44 -1.63 -0.07 0.00 -1.16 0.00 0.00 32.46 30.04 1h4y n ARG 51 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1h4y s LEU 52 N -1.23 4.20 0.07 0.55 2.96 -0.68 -2.70 118.68 121.86 1h4y s LEU 52 Ca 0.46 0.25 0.15 0.00 -0.22 0.00 0.00 54.13 54.77 1h4y s LEU 52 Cb 0.26 -2.69 -0.14 0.00 0.50 0.00 0.00 46.19 44.11 1h4y s LEU 52 CO 0.28 -0.45 0.91 0.77 -1.32 0.00 0.00 176.35 176.54 1h4y h SER 53 N 8.28 0.00 -4.10 3.68 4.64 -1.78 -3.41 113.55 120.86 1h4y h SER 53 Ca -0.28 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.87 1h4y h SER 53 Cb 1.13 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.97 1h4y h SER 53 CO 0.77 0.72 -0.50 0.12 -0.87 0.00 0.00 176.83 177.07 1h4y s PHE 54 N -2.83 -0.14 -0.15 4.77 5.36 -1.23 -4.69 117.98 119.06 1h4y s PHE 54 Ca -0.02 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.29 1h4y s PHE 54 Cb 0.08 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.83 1h4y s PHE 54 CO 0.81 -0.15 -0.15 1.41 -1.46 0.00 0.00 175.22 175.68 1h4y s MET 55 N -0.28 2.43 0.68 10.12 -2.45 -1.26 -1.56 119.30 126.99 1h4y s MET 55 Ca -0.04 -0.61 -0.17 0.00 -1.25 0.00 0.00 55.69 53.62 1h4y s MET 55 Cb -0.03 -2.18 -0.04 0.00 1.25 0.00 0.00 34.83 33.83 1h4y s MET 55 CO 0.01 -0.22 0.64 -3.47 1.05 0.00 0.00 175.02 173.03 1h4y n ASP 56 N 4.69 -0.72 -0.11 1.11 -0.08 -1.13 -4.84 116.55 115.47 1h4y n ASP 56 Ca -0.18 0.65 0.11 0.00 -1.51 0.00 0.00 54.79 53.87 1h4y n ASP 56 Cb 0.50 -1.25 0.48 0.00 2.34 0.00 0.00 41.12 43.18 1h4y n ASP 56 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1h4y h SER 57 N -0.15 0.42 0.11 1.67 0.87 -2.00 0.03 113.55 114.50 1h4y h SER 57 Ca -0.46 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1h4y h SER 57 Cb 1.36 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1h4y h SER 57 CO 0.45 0.25 0.00 -1.54 -0.53 0.00 0.00 176.83 175.46 1h4y n SER 58 N -4.48 0.00 -0.13 6.23 3.41 -1.26 -2.02 113.62 115.37 1h4y n SER 58 Ca 0.11 0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.81 1h4y n SER 58 Cb 0.37 -0.26 0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1h4y n SER 58 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h4y h GLY 59 N 1.06 0.93 0.88 5.00 0.00 -1.31 -1.10 103.07 108.54 1h4y h GLY 59 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.66 1h4y h GLY 59 CO 0.00 0.62 -0.07 -2.08 0.00 0.00 0.00 176.54 175.01 1h4y h VAL 60 N 0.79 0.83 -0.54 4.60 2.07 -1.63 -1.24 116.25 121.14 1h4y h VAL 60 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1h4y h VAL 60 Cb 0.54 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1h4y h VAL 60 CO 0.03 0.00 0.29 1.23 0.02 0.00 0.00 177.57 179.14 1h4y h GLY 61 N -0.15 0.79 0.96 2.17 0.00 -1.67 -1.15 103.07 104.02 1h4y h GLY 61 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1h4y h GLY 61 CO -0.04 0.33 -0.07 -2.00 0.00 0.00 0.00 176.54 174.76 1h4y h LEU 62 N 0.74 -0.16 -0.32 3.11 5.85 -0.86 0.34 115.31 124.02 1h4y h LEU 62 Ca 0.19 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1h4y h LEU 62 Cb 0.03 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1h4y h LEU 62 CO -0.03 -0.07 0.19 0.58 -0.34 0.00 0.00 178.44 178.76 1h4y h VAL 63 N -0.23 1.12 -0.42 1.05 2.07 -0.97 -2.50 116.25 116.36 1h4y h VAL 63 Ca -0.02 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1h4y h VAL 63 Cb 0.18 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1h4y h VAL 63 CO 0.03 0.12 0.08 -0.07 0.02 0.00 0.00 177.57 177.75 1h4y h LEU 64 N 0.41 0.59 -0.88 2.57 3.38 -1.10 -1.00 115.31 119.29 1h4y h LEU 64 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1h4y h LEU 64 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1h4y h LEU 64 CO -0.02 0.61 0.08 1.23 0.09 0.00 0.00 178.44 180.43 1h4y h GLY 65 N 0.86 0.99 1.83 0.83 0.00 -0.66 -1.46 103.07 105.45 1h4y h GLY 65 Ca 0.14 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1h4y h GLY 65 CO 0.00 0.58 -0.69 3.21 0.00 0.00 0.00 176.54 179.64 1h4y h ARG 66 N 0.87 0.16 -0.83 4.80 -0.00 -0.99 -2.75 114.38 115.63 1h4y h ARG 66 Ca 0.18 -0.13 0.07 0.00 -0.50 0.00 0.00 59.98 59.59 1h4y h ARG 66 Cb 0.39 0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.34 1h4y h ARG 66 CO 0.01 0.79 0.54 0.52 0.00 0.00 0.00 179.97 181.83 1h4y h MET 67 N 0.11 0.88 -0.44 0.04 2.86 -0.52 0.07 114.93 117.93 1h4y h MET 67 Ca -0.02 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 1h4y h MET 67 Cb 1.23 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1h4y h MET 67 CO 0.10 0.58 -0.29 -0.09 1.06 0.00 0.00 176.91 178.27 1h4y h ARG 68 N 0.91 0.96 -0.65 1.72 9.65 -1.02 -1.46 114.38 124.50 1h4y h ARG 68 Ca 0.36 -0.45 -0.03 0.00 -1.10 0.00 0.00 59.98 58.76 1h4y h ARG 68 Cb 0.24 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1h4y h ARG 68 CO -0.13 1.12 0.30 0.93 2.80 0.00 0.00 179.97 184.99 1h4y h GLU 69 N 0.81 0.94 0.00 0.20 5.08 -1.14 -2.52 114.58 117.94 1h4y h GLU 69 Ca 0.09 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1h4y h GLU 69 Cb 0.88 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1h4y h GLU 69 CO 0.08 0.76 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.60 1h4y h LEU 70 N 0.90 0.00 -1.46 1.33 3.38 -0.69 -2.59 115.31 116.18 1h4y h LEU 70 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1h4y h LEU 70 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1h4y h LEU 70 CO -0.03 0.17 0.02 -0.08 0.09 0.00 0.00 178.44 178.62 1h4y h GLU 71 N 0.00 0.37 -0.01 1.13 4.81 -0.81 -0.04 114.58 120.03 1h4y h GLU 71 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1h4y h GLU 71 Cb 0.47 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1h4y h GLU 71 CO 0.02 0.39 0.01 0.00 -0.73 0.00 0.00 179.01 178.70 1h4y h ALA 72 N 1.66 1.99 -0.27 2.92 0.00 -1.50 -2.37 119.26 121.70 1h4y h ALA 72 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1h4y h ALA 72 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1h4y h ALA 72 CO 0.00 -0.02 -0.02 1.33 0.00 0.00 0.00 179.25 180.55 1h4y n VAL 73 N -4.51 2.34 -3.80 0.00 0.24 -0.60 -4.96 118.33 107.04 1h4y n VAL 73 Ca -0.03 -2.17 -0.27 0.00 -2.04 0.00 0.00 64.34 59.83 1h4y n VAL 73 Cb 0.10 -0.28 0.04 0.00 -1.47 0.00 0.00 33.84 32.24 1h4y n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h4y n ALA 74 N -0.78 -1.43 -1.94 2.33 0.00 -0.83 -4.96 120.51 112.90 1h4y n ALA 74 Ca 0.25 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1h4y n ALA 74 Cb 0.92 -4.27 0.08 0.00 0.00 0.00 0.00 19.45 16.18 1h4y n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4y n GLY 75 N -1.73 -0.29 3.17 0.00 0.00 -0.13 -5.02 105.19 101.20 1h4y n GLY 75 Ca -0.03 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1h4y n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1h4y s ARG 76 N -4.07 0.64 -0.04 1.61 1.70 -0.13 -4.82 118.95 113.85 1h4y s ARG 76 Ca 0.35 -0.51 0.07 0.00 -0.47 0.00 0.00 55.73 55.17 1h4y s ARG 76 Cb -0.01 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 1h4y s ARG 76 CO 0.24 -0.18 -0.25 0.99 -1.08 0.00 0.00 175.30 175.02 1h4y s THR 77 N -2.10 1.98 -0.07 4.99 2.01 -1.26 -1.95 115.64 119.25 1h4y s THR 77 Ca -0.09 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.88 1h4y s THR 77 Cb -0.03 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.83 1h4y s THR 77 CO -0.01 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.72 1h4y s ILE 78 N -0.39 1.14 -0.90 1.82 1.01 -0.44 -4.92 121.20 118.52 1h4y s ILE 78 Ca 0.04 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 1h4y s ILE 78 Cb -0.11 -1.04 0.22 0.00 0.01 0.00 0.00 42.46 41.53 1h4y s ILE 78 CO 0.01 0.36 0.89 -0.76 0.00 0.00 0.00 174.94 175.43 1h4y s LEU 79 N 0.68 6.46 -0.01 2.97 1.43 -0.43 -0.84 118.68 128.94 1h4y s LEU 79 Ca -0.14 -2.80 -0.30 0.00 -1.03 0.00 0.00 54.13 49.86 1h4y s LEU 79 Cb -0.16 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1h4y s LEU 79 CO 0.04 -0.58 0.96 -0.22 0.23 0.00 0.00 176.35 176.78 1h4y s LEU 80 N 0.21 4.36 -1.40 1.79 2.96 0.41 -1.41 118.68 125.60 1h4y s LEU 80 Ca 0.23 1.62 -0.04 0.00 -0.22 0.00 0.00 54.13 55.71 1h4y s LEU 80 Cb -0.09 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.09 1h4y s LEU 80 CO -0.09 -0.27 0.70 0.59 -1.32 0.00 0.00 176.35 175.97 1h4y n ASN 81 N 3.99 -1.89 -4.77 3.68 3.02 0.03 -1.03 115.26 118.29 1h4y n ASN 81 Ca 0.06 -0.86 -0.39 0.00 -0.03 0.00 0.00 54.58 53.36 1h4y n ASN 81 Cb 0.51 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1h4y n ASN 81 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1h4y s PRO 82 N -6.30 3.82 0.89 3.52 0.04 -1.26 -2.88 135.00 132.82 1h4y s PRO 82 Ca 0.19 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1h4y s PRO 82 Cb -0.10 -2.62 0.12 0.00 0.04 0.00 0.00 34.50 31.95 1h4y s PRO 82 CO 0.84 -0.60 1.09 -1.54 0.04 0.00 0.00 177.00 176.84 1h4y s SER 83 N -0.89 3.57 0.25 6.66 1.04 -1.26 -4.63 113.70 118.44 1h4y s SER 83 Ca 0.60 1.42 -0.04 0.00 0.48 0.00 0.00 55.95 58.41 1h4y s SER 83 Cb -0.36 -2.11 0.38 0.00 0.10 0.00 0.00 66.02 64.03 1h4y s SER 83 CO 0.46 -2.57 1.86 -0.65 0.98 0.00 0.00 173.24 173.32 1h4y h PRO 84 N -1.50 1.01 -0.17 4.02 0.11 -1.95 0.28 132.00 133.80 1h4y h PRO 84 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1h4y h PRO 84 Cb 1.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1h4y h PRO 84 CO 0.56 0.67 0.11 1.15 -0.21 0.00 0.00 178.00 180.28 1h4y h THR 85 N 1.04 1.05 -0.06 -1.15 2.02 -1.93 -2.24 112.91 111.63 1h4y h THR 85 Ca 0.41 -0.09 -0.23 0.00 0.77 0.00 0.00 66.41 67.26 1h4y h THR 85 Cb 0.20 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1h4y h THR 85 CO -0.18 0.04 -0.89 0.58 0.37 0.00 0.00 175.52 175.44 1h4y h VAL 86 N 0.23 1.31 -0.80 3.16 2.07 -1.68 -2.98 116.25 117.56 1h4y h VAL 86 Ca 0.06 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.47 1h4y h VAL 86 Cb -0.02 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1h4y h VAL 86 CO -0.01 0.67 0.53 -0.09 0.02 0.00 0.00 177.57 178.68 1h4y h ARG 87 N 0.40 0.86 -0.41 1.57 2.43 -0.43 -1.54 114.38 117.26 1h4y h ARG 87 Ca -0.08 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1h4y h ARG 87 Cb 1.53 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1h4y h ARG 87 CO 0.17 0.57 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.91 1h4y h LYS 88 N 0.88 0.70 0.09 0.20 3.64 -1.25 0.60 116.57 121.42 1h4y h LYS 88 Ca 0.34 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1h4y h LYS 88 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1h4y h LYS 88 CO -0.12 0.76 -0.04 0.28 -2.27 0.00 0.00 179.45 178.06 1h4y h VAL 89 N 0.64 1.13 -0.78 2.00 2.07 -1.23 -1.46 116.25 118.62 1h4y h VAL 89 Ca 0.12 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1h4y h VAL 89 Cb 0.50 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1h4y h VAL 89 CO 0.03 0.21 0.48 -0.26 0.02 0.00 0.00 177.57 178.04 1h4y h PHE 90 N -0.51 0.89 -0.34 1.57 0.05 -1.27 -1.89 116.94 115.44 1h4y h PHE 90 Ca -0.01 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 1h4y h PHE 90 Cb 0.43 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.07 1h4y h PHE 90 CO 0.05 0.48 0.18 0.37 -0.18 0.00 0.00 178.31 179.20 1h4y h GLN 91 N 0.90 0.48 -0.07 1.51 5.75 -0.81 -0.82 115.11 122.04 1h4y h GLN 91 Ca 0.33 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 1h4y h GLN 91 Cb 0.10 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1h4y h GLN 91 CO -0.15 0.42 -0.11 0.35 -2.65 0.00 0.00 178.83 176.69 1h4y h PHE 92 N 0.42 0.11 -0.01 3.99 3.04 -0.89 -2.61 116.94 120.98 1h4y h PHE 92 Ca 0.12 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1h4y h PHE 92 Cb 0.09 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1h4y h PHE 92 CO -0.02 0.22 -0.02 0.43 -2.02 0.00 0.00 178.31 176.89 1h4y n SER 93 N -4.35 1.12 0.00 0.41 7.64 -0.75 -4.94 113.62 112.76 1h4y n SER 93 Ca -0.02 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.55 1h4y n SER 93 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1h4y n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h4y n GLY 94 N 1.16 0.76 1.15 0.23 0.00 -0.99 -4.95 105.19 102.56 1h4y n GLY 94 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1h4y n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h4y n LEU 95 N 0.00 3.41 -0.29 0.99 4.77 -0.35 -4.52 117.00 121.00 1h4y n LEU 95 Ca 0.00 -1.56 0.11 0.00 -0.03 0.00 0.00 56.01 54.53 1h4y n LEU 95 Cb 0.00 -0.32 0.26 0.00 -2.33 0.00 0.00 43.42 41.03 1h4y n LEU 95 CO 0.00 0.78 0.94 1.23 -1.33 0.00 0.00 177.39 179.01 1h4y h GLY 96 N 4.57 1.27 2.00 -0.72 0.00 -1.80 -1.52 103.07 106.87 1h4y h GLY 96 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1h4y h GLY 96 CO 0.00 -0.33 0.00 -2.55 0.00 0.00 0.00 176.54 173.66 1h4y h PRO 97 N 0.22 0.00 -0.02 4.80 0.11 -1.94 -2.02 132.00 133.15 1h4y h PRO 97 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1h4y h PRO 97 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1h4y h PRO 97 CO -0.63 0.00 -0.25 0.91 -0.21 0.00 0.00 178.00 177.82 1h4y n TRP 98 N -2.31 0.00 -2.57 0.65 8.01 -0.57 -4.94 117.44 115.71 1h4y n TRP 98 Ca -0.01 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.78 1h4y n TRP 98 Cb 0.07 -0.02 -0.05 0.00 -2.01 0.00 0.00 31.31 29.30 1h4y n TRP 98 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1h4y s MET 99 N -2.29 4.70 0.00 -0.99 -1.94 -0.76 -1.31 119.30 116.71 1h4y s MET 99 Ca 0.24 1.68 0.01 0.00 -1.71 0.00 0.00 55.69 55.91 1h4y s MET 99 Cb 0.19 -3.24 -0.00 0.00 2.01 0.00 0.00 34.83 33.79 1h4y s MET 99 CO 0.46 0.28 -0.02 1.41 -0.01 0.00 0.00 175.02 177.13 1h4y s MET 100 N -1.10 0.20 -0.31 2.03 0.00 -0.50 -4.89 119.30 114.73 1h4y s MET 100 Ca 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 55.69 55.96 1h4y s MET 100 Cb -0.29 -0.14 0.06 0.00 0.00 0.00 0.00 34.83 34.46 1h4y s MET 100 CO 0.37 0.03 0.01 -0.51 0.00 0.00 0.00 175.02 174.92 1h4y s ASP 101 N -0.26 4.88 0.09 1.11 -0.00 -1.26 -0.79 116.67 120.43 1h4y s ASP 101 Ca -0.01 -1.42 -0.27 0.00 -0.00 0.00 0.00 52.55 50.85 1h4y s ASP 101 Cb -0.02 -1.70 0.09 0.00 -0.00 0.00 0.00 42.92 41.28 1h4y s ASP 101 CO -0.00 -0.29 1.09 0.00 -0.00 0.00 0.00 175.17 175.97 1h4y s ALA 102 N 1.20 -1.88 0.70 5.23 0.00 -1.26 -5.00 121.76 120.76 1h4y s ALA 102 Ca -0.03 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1h4y s ALA 102 Cb -0.20 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1h4y s ALA 102 CO -0.02 -1.05 1.07 0.95 0.00 0.00 0.00 175.76 176.70 1h4y s THR 103 N -2.84 3.86 0.19 0.00 -4.23 -1.26 -4.73 115.64 106.64 1h4y s THR 103 Ca 0.14 0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 61.14 1h4y s THR 103 Cb 0.01 -3.44 0.11 0.00 1.34 0.00 0.00 72.50 70.51 1h4y s THR 103 CO 0.00 -0.79 1.82 -0.08 -0.54 0.00 0.00 174.62 175.04 1h4y h GLU 104 N -0.71 0.68 -0.46 3.99 4.81 -2.01 -0.94 114.58 119.94 1h4y h GLU 104 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1h4y h GLU 104 Cb 1.23 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1h4y h GLU 104 CO 0.60 0.45 0.29 1.49 -0.73 0.00 0.00 179.01 181.10 1h4y h GLU 105 N 0.70 0.61 -0.19 1.92 4.81 -1.99 -0.78 114.58 119.65 1h4y h GLU 105 Ca 0.25 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1h4y h GLU 105 Cb 0.06 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1h4y h GLU 105 CO -0.12 0.42 -0.20 0.93 -0.73 0.00 0.00 179.01 179.31 1h4y h GLU 106 N 0.61 -0.22 -0.59 1.92 4.39 -1.87 0.04 114.58 118.86 1h4y h GLU 106 Ca 0.17 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.95 1h4y h GLU 106 Cb -0.04 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 1h4y h GLU 106 CO -0.03 -0.15 0.28 0.00 -1.16 0.00 0.00 179.01 177.95 1h4y h ALA 107 N 0.83 0.77 -0.49 3.43 0.00 -0.84 -0.83 119.26 122.13 1h4y h ALA 107 Ca 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1h4y h ALA 107 Cb 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1h4y h ALA 107 CO -0.33 -0.09 0.16 0.82 0.00 0.00 0.00 179.25 179.81 1h4y h ILE 108 N 0.51 1.22 -0.72 0.00 2.04 -0.86 -1.54 117.51 118.17 1h4y h ILE 108 Ca 0.28 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1h4y h ILE 108 Cb 0.24 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1h4y h ILE 108 CO -0.22 0.27 0.47 0.44 0.00 0.00 0.00 178.15 179.12 1h4y h ASP 109 N 0.66 0.83 -0.39 1.72 3.32 -0.62 -0.57 116.42 121.38 1h4y h ASP 109 Ca 0.16 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1h4y h ASP 109 Cb 0.26 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1h4y h ASP 109 CO -0.01 0.61 0.26 0.03 -1.72 0.00 0.00 179.24 178.41 1h4y h ARG 110 N 0.98 0.51 -0.68 3.56 3.08 -0.85 -1.43 114.38 119.55 1h4y h ARG 110 Ca 0.26 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1h4y h ARG 110 Cb -0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 1h4y h ARG 110 CO -0.06 0.34 0.43 0.28 -1.07 0.00 0.00 179.97 179.89 1h4y h VAL 111 N 0.52 1.12 -0.01 2.04 2.07 -0.81 -2.79 116.25 118.39 1h4y h VAL 111 Ca 0.15 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1h4y h VAL 111 Cb -0.05 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1h4y h VAL 111 CO -0.04 0.16 0.00 0.54 0.02 0.00 0.00 177.57 178.25 1h4y n ARG 112 N -4.66 1.31 -2.41 1.57 1.74 -0.26 -4.93 116.66 109.02 1h4y n ARG 112 Ca 0.07 -0.45 -0.15 0.00 -0.77 0.00 0.00 57.85 56.54 1h4y n ARG 112 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1h4y n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h4y n GLY 113 N 1.08 -0.21 3.74 -0.13 0.00 -0.67 -4.96 105.19 104.04 1h4y n GLY 113 Ca 0.22 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1h4y n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h4y s ILE 114 N -2.79 3.46 -0.04 -0.61 1.01 -0.63 -5.02 121.20 116.59 1h4y s ILE 114 Ca 0.05 1.26 0.06 0.00 0.00 0.00 0.00 60.65 62.02 1h4y s ILE 114 Cb -0.02 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1h4y s ILE 114 CO 0.07 0.21 -0.21 -0.69 0.00 0.00 0.00 174.94 174.32 1h4y s VAL 115 N -0.19 1.72 -0.41 2.92 1.01 -1.26 -4.85 120.40 119.34 1h4y s VAL 115 Ca 0.52 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1h4y s VAL 115 Cb -0.33 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.62 1h4y s VAL 115 CO 0.38 0.49 0.60 0.59 0.00 0.00 0.00 175.10 177.16