#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s LYS 2 N 0.00 2.99 -0.14 4.33 -0.14 -1.26 -4.96 119.74 120.56 1yhq s LYS 2 Ca 0.00 1.59 0.11 0.00 -1.36 0.00 0.00 55.97 56.31 1yhq s LYS 2 Cb 0.00 -1.96 -0.16 0.00 -1.68 0.00 0.00 37.83 34.03 1yhq s LYS 2 CO 0.00 -1.13 0.03 2.41 -0.76 0.00 0.00 175.35 175.89 1yhq n THR 3 N -1.85 0.96 -2.35 2.17 -1.04 -1.26 -4.94 114.28 105.97 1yhq n THR 3 Ca 0.12 -0.57 -0.43 0.00 -2.04 0.00 0.00 64.05 61.13 1yhq n THR 3 Cb 0.51 -0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 68.31 1yhq n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1yhq s ASN 4 N -4.81 6.84 0.43 8.00 3.84 -1.26 -4.92 114.94 123.07 1yhq s ASN 4 Ca -0.09 1.71 0.15 0.00 0.21 0.00 0.00 52.86 54.84 1yhq s ASN 4 Cb 0.04 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 39.15 1yhq s ASN 4 CO 0.55 -0.85 1.95 -0.65 -2.79 0.00 0.00 177.10 175.31 1yhq h PRO 5 N 8.65 0.00 -0.11 0.43 0.11 -1.99 -2.42 132.00 136.66 1yhq h PRO 5 Ca -0.29 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.65 1yhq h PRO 5 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1yhq h PRO 5 CO 0.98 0.24 -0.61 0.00 -0.21 0.00 0.00 178.00 178.39 1yhq h ARG 6 N 0.00 0.61 -0.45 1.05 3.08 -1.99 -1.97 114.38 114.71 1yhq h ARG 6 Ca -0.00 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 1yhq h ARG 6 Cb 0.43 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1yhq h ARG 6 CO 0.03 1.13 0.19 1.25 -1.07 0.00 0.00 179.97 181.50 1yhq h LEU 7 N 0.26 0.57 -0.49 3.04 5.85 -1.94 -0.03 115.31 122.57 1yhq h LEU 7 Ca -0.04 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1yhq h LEU 7 Cb 1.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1yhq h LEU 7 CO 0.13 0.51 0.15 -1.28 -0.34 0.00 0.00 178.44 177.61 1yhq h SER 8 N 0.63 0.71 -0.26 1.25 0.87 -1.28 -1.61 113.55 113.87 1yhq h SER 8 Ca 0.16 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 1yhq h SER 8 Cb 0.11 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1yhq h SER 8 CO -0.02 0.73 -0.31 0.28 -0.53 0.00 0.00 176.83 176.99 1yhq h SER 9 N 0.66 0.72 -0.63 6.23 0.02 -0.70 -2.37 113.55 117.48 1yhq h SER 9 Ca 0.16 -0.49 0.11 0.00 -0.84 0.00 0.00 61.79 60.72 1yhq h SER 9 Cb 0.28 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 1yhq h SER 9 CO -0.00 1.07 0.21 0.25 -1.14 0.00 0.00 176.83 177.22 1yhq h LEU 10 N 0.40 0.17 -0.90 5.07 5.85 -0.88 0.42 115.31 125.44 1yhq h LEU 10 Ca 0.04 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1yhq h LEU 10 Cb 0.88 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1yhq h LEU 10 CO 0.07 0.09 0.42 0.40 -0.34 0.00 0.00 178.44 179.09 1yhq h ILE 11 N 0.37 1.26 -0.34 4.05 2.04 -1.18 0.54 117.51 124.24 1yhq h ILE 11 Ca 0.33 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.32 1yhq h ILE 11 Cb 0.45 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1yhq h ILE 11 CO -0.35 0.30 -0.43 0.00 0.00 0.00 0.00 178.15 177.68 1yhq h ALA 12 N 1.26 0.59 -0.50 1.87 0.00 -0.56 -2.46 119.26 119.45 1yhq h ALA 12 Ca 0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1yhq h ALA 12 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yhq h ALA 12 CO -0.04 0.68 0.16 -0.44 0.00 0.00 0.00 179.25 179.61 1yhq h ASP 13 N 0.70 0.73 -0.60 0.00 3.32 0.27 -1.59 116.42 119.25 1yhq h ASP 13 Ca 0.05 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1yhq h ASP 13 Cb 1.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1yhq h ASP 13 CO 0.10 0.74 0.40 -0.07 -1.72 0.00 0.00 179.24 178.69 1yhq h LEU 14 N 0.68 0.64 -0.07 1.55 3.38 -0.82 -1.90 115.31 118.77 1yhq h LEU 14 Ca 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1yhq h LEU 14 Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1yhq h LEU 14 CO -0.01 0.45 -0.13 0.11 0.09 0.00 0.00 178.44 178.95 1yhq h LYS 15 N 0.75 0.22 -0.98 1.13 1.57 -0.99 -2.36 116.57 115.92 1yhq h LYS 15 Ca 0.23 -0.14 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 1yhq h LYS 15 Cb 0.01 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 1yhq h LYS 15 CO -0.06 0.72 0.62 1.03 -0.57 0.00 0.00 179.45 181.19 1yhq h SER 16 N -0.25 0.88 -0.29 0.86 0.87 -0.97 -0.96 113.55 113.69 1yhq h SER 16 Ca 0.00 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1yhq h SER 16 Cb 0.71 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1yhq h SER 16 CO 0.03 0.47 -0.46 0.00 -0.53 0.00 0.00 176.83 176.35 1yhq h ALA 17 N 1.55 0.45 0.00 6.23 0.00 -1.34 0.22 119.26 126.37 1yhq h ALA 17 Ca 0.48 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1yhq h ALA 17 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1yhq h ALA 17 CO -0.24 0.60 -0.27 0.00 0.00 0.00 0.00 179.25 179.34 1yhq h ALA 18 N 0.69 1.22 0.05 0.00 0.00 -0.79 -1.20 119.26 119.22 1yhq h ALA 18 Ca 0.03 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1yhq h ALA 18 Cb 1.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1yhq h ALA 18 CO 0.10 0.33 -1.18 0.00 0.00 0.00 0.00 179.25 178.51 1yhq h ARG 19 N 0.00 0.10 0.38 0.00 3.08 -1.12 -3.38 114.38 113.45 1yhq h ARG 19 Ca -0.00 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1yhq h ARG 19 Cb 0.61 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1yhq h ARG 19 CO 0.03 1.09 -0.18 0.77 -1.07 0.00 0.00 179.97 180.61 1yhq h SER 20 N -0.68 -0.43 -0.58 7.04 0.02 -0.96 -3.45 113.55 114.51 1yhq h SER 20 Ca -0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1yhq h SER 20 Cb 1.47 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1yhq h SER 20 CO -0.06 -0.12 0.00 -1.20 -1.14 0.00 0.00 176.83 174.31 1yhq n SER 21 N -4.44 -0.08 -0.95 3.07 7.64 -0.46 -4.97 113.62 113.44 1yhq n SER 21 Ca -0.06 -0.27 0.12 0.00 1.01 0.00 0.00 58.87 59.67 1yhq n SER 21 Cb 0.20 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.54 1yhq n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yhq n GLY 22 N 4.35 0.99 3.64 0.23 0.00 -1.26 -4.74 105.19 108.40 1yhq n GLY 22 Ca 0.00 -0.68 -0.53 0.00 0.00 0.00 0.00 46.02 44.81 1yhq n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 23 N 1.35 0.68 0.02 -0.02 0.00 -1.15 -4.85 105.19 101.22 1yhq n GLY 23 Ca 0.15 0.78 0.02 0.00 0.00 0.00 0.00 46.02 46.96 1yhq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq n ALA 24 N 3.62 2.16 -0.05 4.61 0.00 -1.26 -4.18 120.51 125.41 1yhq n ALA 24 Ca 0.21 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1yhq n ALA 24 Cb 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 1yhq n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1yhq h VAL 25 N 0.00 1.32 -0.98 0.00 -1.51 -1.88 -2.26 116.25 110.94 1yhq h VAL 25 Ca -0.10 -1.14 0.11 0.00 -1.23 0.00 0.00 66.70 64.34 1yhq h VAL 25 Cb 0.89 1.80 -0.08 0.00 -2.13 0.00 0.00 31.29 31.77 1yhq h VAL 25 CO 0.01 0.33 0.61 -0.50 -1.23 0.00 0.00 177.57 176.78 1yhq h TRP 26 N -0.07 1.11 0.00 5.19 -0.00 -1.86 0.89 115.95 121.21 1yhq h TRP 26 Ca 0.03 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.85 1yhq h TRP 26 Cb 0.55 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 1yhq h TRP 26 CO 0.07 0.46 -0.47 0.78 -0.00 0.00 0.00 178.44 179.29 1yhq h GLY 27 N 0.99 0.00 0.72 1.49 0.00 -1.69 -0.71 103.07 103.87 1yhq h GLY 27 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.69 1yhq h GLY 27 CO -0.25 0.00 -0.38 -1.80 0.00 0.00 0.00 176.54 174.11 1yhq h ASP 28 N 0.00 0.44 0.11 0.19 3.58 -0.14 -2.61 116.42 118.00 1yhq h ASP 28 Ca -0.00 -0.67 -0.06 0.00 0.42 0.00 0.00 57.03 56.71 1yhq h ASP 28 Cb 0.95 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1yhq h ASP 28 CO 0.06 1.04 -0.22 0.58 -2.88 0.00 0.00 179.24 177.82 1yhq h VAL 29 N -0.12 1.21 -0.41 2.25 2.07 0.79 -2.49 116.25 119.55 1yhq h VAL 29 Ca -0.03 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1yhq h VAL 29 Cb 1.04 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1yhq h VAL 29 CO 0.08 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1yhq h ALA 30 N 1.59 0.55 -0.63 1.67 0.00 -1.07 -1.84 119.26 119.54 1yhq h ALA 30 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1yhq h ALA 30 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1yhq h ALA 30 CO 0.03 0.33 0.08 0.93 0.00 0.00 0.00 179.25 180.63 1yhq h GLU 31 N 0.56 1.04 -0.12 0.00 5.08 -1.12 -1.12 114.58 118.89 1yhq h GLU 31 Ca 0.12 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1yhq h GLU 31 Cb 0.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1yhq h GLU 31 CO 0.02 0.96 -0.49 -0.09 -1.00 0.00 0.00 179.01 178.42 1yhq h ARG 32 N 0.97 0.32 0.00 2.33 9.65 -1.36 -2.70 114.38 123.59 1yhq h ARG 32 Ca 0.19 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 1yhq h ARG 32 Cb 0.44 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1yhq h ARG 32 CO 0.01 0.74 -0.57 -0.07 2.80 0.00 0.00 179.97 182.89 1yhq h LEU 33 N 0.26 0.00 -1.14 3.80 3.38 -1.03 -2.75 115.31 117.83 1yhq h LEU 33 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1yhq h LEU 33 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1yhq h LEU 33 CO 0.08 0.57 -0.39 -0.33 0.09 0.00 0.00 178.44 178.46 1yhq h GLU 34 N 0.00 0.00 -7.30 1.13 5.08 -0.93 -3.44 114.58 109.11 1yhq h GLU 34 Ca -0.01 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.88 1yhq h GLU 34 Cb 1.05 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.46 1yhq h GLU 34 CO 0.07 0.39 0.20 0.15 -1.00 0.00 0.00 179.01 178.82 1yhq s LYS 35 N -3.90 0.70 0.42 2.33 1.02 -1.04 -4.95 119.74 114.33 1yhq s LYS 35 Ca -0.02 0.85 -0.25 0.00 0.02 0.00 0.00 55.97 56.58 1yhq s LYS 35 Cb 0.13 -1.74 -0.10 0.00 -0.52 0.00 0.00 37.83 35.60 1yhq s LYS 35 CO 0.70 -2.63 1.11 -2.30 -0.92 0.00 0.00 175.35 171.31 1yhq n PRO 36 N -4.15 1.54 -0.27 -1.68 -0.02 -1.26 -4.86 135.00 124.30 1yhq n PRO 36 Ca 0.06 0.55 0.20 0.00 -2.02 0.00 0.00 63.50 62.29 1yhq n PRO 36 Cb 0.55 -2.17 0.50 0.00 -0.02 0.00 0.00 33.50 32.36 1yhq n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yhq h ARG 37 N 1.70 0.41 0.00 -0.52 3.08 -1.92 0.73 114.38 117.86 1yhq h ARG 37 Ca -0.46 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1yhq h ARG 37 Cb 1.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1yhq h ARG 37 CO 0.58 0.27 -0.03 0.07 -1.07 0.00 0.00 179.97 179.79 1yhq h ARG 38 N 0.42 0.00 0.00 0.04 0.11 -2.00 -1.70 114.38 111.25 1yhq h ARG 38 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 1yhq h ARG 38 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1yhq h ARG 38 CO -0.20 0.03 -0.68 1.79 0.10 0.00 0.00 179.97 181.00 1yhq h THR 39 N 0.00 0.00 -4.04 0.08 1.35 -1.19 -3.47 112.91 105.64 1yhq h THR 39 Ca -0.00 -0.64 -0.55 0.00 -0.55 0.00 0.00 66.41 64.66 1yhq h THR 39 Cb 0.17 1.23 0.17 0.00 -1.73 0.00 0.00 68.15 67.99 1yhq h THR 39 CO 0.00 0.00 0.36 1.41 -0.25 0.00 0.00 175.52 177.05 1yhq n HIS 40 N -2.30 1.44 -2.34 4.73 8.25 -0.64 -4.94 115.22 119.41 1yhq n HIS 40 Ca 0.02 0.41 -0.39 0.00 -0.26 0.00 0.00 57.72 57.50 1yhq n HIS 40 Cb 0.47 -2.18 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 1yhq n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yhq s ALA 41 N -1.70 3.30 -0.38 -1.41 0.00 -1.11 -4.94 121.76 115.52 1yhq s ALA 41 Ca 0.78 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.72 1yhq s ALA 41 Cb -0.35 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.53 1yhq s ALA 41 CO 0.46 -0.40 0.20 -1.21 0.00 0.00 0.00 175.76 174.81 1yhq s GLU 42 N -1.92 0.88 -0.14 0.00 2.02 -1.26 -0.69 118.70 117.59 1yhq s GLU 42 Ca 0.51 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 53.92 1yhq s GLU 42 Cb -0.32 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 1yhq s GLU 42 CO 0.41 -1.15 -0.02 0.08 0.02 0.00 0.00 175.26 174.61 1yhq s VAL 43 N 0.89 4.08 0.43 2.63 1.01 -0.68 -4.93 120.40 123.82 1yhq s VAL 43 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1yhq s VAL 43 Cb -0.23 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1yhq s VAL 43 CO -0.05 0.52 0.66 0.20 0.00 0.00 0.00 175.10 176.43 1yhq s ASN 44 N -0.01 6.04 0.32 3.32 0.01 -1.26 0.87 114.94 124.23 1yhq s ASN 44 Ca 0.02 0.46 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1yhq s ASN 44 Cb -0.13 -1.82 0.57 0.00 0.41 0.00 0.00 41.25 40.28 1yhq s ASN 44 CO 0.02 -0.56 1.96 -0.07 -1.51 0.00 0.00 177.10 176.94 1yhq h LEU 45 N 0.46 0.84 -1.67 0.60 3.38 -1.05 -2.39 115.31 115.47 1yhq h LEU 45 Ca -0.47 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 57.71 1yhq h LEU 45 Cb 1.23 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1yhq h LEU 45 CO 0.59 0.57 0.61 1.23 0.09 0.00 0.00 178.44 181.54 1yhq h GLY 46 N 0.97 0.59 1.66 0.83 0.00 -1.72 0.43 103.07 105.82 1yhq h GLY 46 Ca 0.32 -0.12 -0.24 0.00 0.00 0.00 0.00 47.33 47.28 1yhq h GLY 46 CO -0.09 -0.02 -1.08 -0.09 0.00 0.00 0.00 176.54 175.26 1yhq h ARG 47 N 0.26 0.28 -0.24 4.80 2.43 -1.75 -2.94 114.38 117.21 1yhq h ARG 47 Ca 0.46 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1yhq h ARG 47 Cb 1.38 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 1yhq h ARG 47 CO -0.13 1.13 -0.07 0.82 -1.51 0.00 0.00 179.97 180.22 1yhq h ILE 48 N 0.12 1.29 -0.76 1.20 2.04 -1.01 -2.91 117.51 117.46 1yhq h ILE 48 Ca -0.10 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 64.78 1yhq h ILE 48 Cb 1.77 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.31 1yhq h ILE 48 CO 0.18 0.33 0.50 -0.08 0.00 0.00 0.00 178.15 179.08 1yhq h GLU 49 N 0.20 0.65 0.00 2.37 4.57 -1.08 -0.34 114.58 120.96 1yhq h GLU 49 Ca 0.06 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 1yhq h GLU 49 Cb 0.53 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1yhq h GLU 49 CO 0.03 0.43 -0.82 -0.09 -1.18 0.00 0.00 179.01 177.37 1yhq h ARG 50 N 0.67 0.02 0.00 1.92 2.43 -1.35 -3.38 114.38 114.69 1yhq h ARG 50 Ca 0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1yhq h ARG 50 Cb 0.47 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1yhq h ARG 50 CO -0.13 0.83 0.00 0.66 -1.51 0.00 0.00 179.97 179.82 1yhq n TYR 51 N -3.57 0.00 -2.87 2.20 0.53 -1.05 -5.05 117.16 107.35 1yhq n TYR 51 Ca -0.01 -0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.60 1yhq n TYR 51 Cb 0.79 -0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 39.09 1yhq n TYR 51 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1yhq s ALA 52 N -0.00 3.47 -0.01 -0.72 0.00 -0.16 -5.09 121.76 119.25 1yhq s ALA 52 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1yhq s ALA 52 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1yhq s ALA 52 CO 0.00 -0.19 0.06 1.14 0.00 0.00 0.00 175.76 176.77 1yhq s GLN 53 N -4.44 0.15 0.60 0.00 -2.07 -1.26 -4.97 119.66 107.66 1yhq s GLN 53 Ca 0.46 -0.06 -0.18 0.00 -1.82 0.00 0.00 55.36 53.75 1yhq s GLN 53 Cb -0.10 0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 31.83 1yhq s GLN 53 CO 0.40 -0.02 0.93 0.39 -1.32 0.00 0.00 175.29 175.66 1yhq n GLU 54 N 2.68 0.87 -2.15 9.60 1.02 -1.26 -2.65 120.64 128.75 1yhq n GLU 54 Ca -0.15 0.34 -0.19 0.00 -0.02 0.00 0.00 57.16 57.13 1yhq n GLU 54 Cb 0.58 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 1yhq n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yhq n ASP 55 N -0.64 -5.52 -3.53 1.62 8.00 -1.26 -4.95 116.55 110.27 1yhq n ASP 55 Ca 0.13 0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.50 1yhq n ASP 55 Cb 0.47 -4.60 -0.15 0.00 -0.02 0.00 0.00 41.12 36.82 1yhq n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1yhq s GLU 56 N -4.61 0.17 0.11 -1.24 2.12 -1.08 -4.97 118.70 109.20 1yhq s GLU 56 Ca 0.00 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 1yhq s GLU 56 Cb 0.00 -1.28 -0.10 0.00 0.26 0.00 0.00 34.13 33.01 1yhq s GLU 56 CO 0.00 -0.88 1.83 0.99 -0.54 0.00 0.00 175.26 176.66 1yhq s THR 57 N 2.18 2.60 -0.10 -1.70 2.01 -0.79 -4.57 115.64 115.27 1yhq s THR 57 Ca 0.07 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1yhq s THR 57 Cb -0.16 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1yhq s THR 57 CO -0.25 -0.00 0.98 -0.69 -0.69 0.00 0.00 174.62 173.97 1yhq s VAL 58 N 2.86 4.81 -0.25 3.82 1.01 0.25 -0.70 120.40 132.21 1yhq s VAL 58 Ca 0.81 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 64.78 1yhq s VAL 58 Cb -0.45 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1yhq s VAL 58 CO 0.36 0.03 -0.08 -0.69 0.00 0.00 0.00 175.10 174.72 1yhq s VAL 59 N 1.88 2.68 -0.35 2.92 1.01 0.59 0.67 120.40 129.81 1yhq s VAL 59 Ca 0.48 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1yhq s VAL 59 Cb -0.18 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1yhq s VAL 59 CO 0.19 0.18 0.21 -0.69 0.00 0.00 0.00 175.10 174.99 1yhq s VAL 60 N 1.28 4.84 -0.47 2.92 1.01 0.44 -0.95 120.40 129.47 1yhq s VAL 60 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1yhq s VAL 60 Cb -0.17 -3.57 -0.21 0.00 0.00 0.00 0.00 36.38 32.43 1yhq s VAL 60 CO -0.05 -0.09 3.38 -0.81 0.00 0.00 0.00 175.10 177.53 1yhq n PRO 61 N 5.04 2.46 0.00 2.72 -0.04 -1.26 -3.81 135.00 140.11 1yhq n PRO 61 Ca -0.13 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1yhq n PRO 61 Cb 0.48 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1yhq n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yhq n GLY 62 N 2.83 1.03 3.22 0.55 0.00 -1.26 -2.74 105.19 108.82 1yhq n GLY 62 Ca 0.53 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 1yhq n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yhq s LYS 63 N 4.49 1.34 -0.20 1.61 2.20 0.13 -1.05 119.74 128.26 1yhq s LYS 63 Ca 0.00 -0.86 -0.10 0.00 -0.36 0.00 0.00 55.97 54.65 1yhq s LYS 63 Cb 0.00 -1.41 -0.05 0.00 -1.51 0.00 0.00 37.83 34.86 1yhq s LYS 63 CO 0.00 0.36 0.14 0.08 -0.36 0.00 0.00 175.35 175.57 1yhq s VAL 64 N -0.74 5.40 0.32 4.02 1.01 0.13 -1.68 120.40 128.86 1yhq s VAL 64 Ca 0.06 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1yhq s VAL 64 Cb -0.08 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1yhq s VAL 64 CO 0.01 0.43 0.20 -0.76 0.00 0.00 0.00 175.10 174.99 1yhq s LEU 65 N 0.42 3.47 -0.13 3.92 1.43 0.25 -1.44 118.68 126.59 1yhq s LEU 65 Ca 0.08 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1yhq s LEU 65 Cb -0.11 -2.02 0.39 0.00 0.03 0.00 0.00 46.19 44.48 1yhq s LEU 65 CO -0.01 -0.27 1.16 0.61 0.23 0.00 0.00 176.35 178.07 1yhq n GLY 66 N -1.23 2.37 3.82 -3.19 0.00 -1.26 -2.73 105.19 102.97 1yhq n GLY 66 Ca -0.03 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1yhq n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yhq s SER 67 N -0.33 7.01 0.00 1.61 0.01 -1.26 -4.82 113.70 115.92 1yhq s SER 67 Ca 0.27 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1yhq s SER 67 Cb 0.21 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1yhq s SER 67 CO 0.07 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1yhq n GLY 68 N 0.26 -2.61 3.19 3.44 0.00 -1.26 -1.45 105.19 106.76 1yhq n GLY 68 Ca 0.01 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1yhq n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhq s VAL 69 N -0.54 1.74 -0.18 1.61 1.01 -1.26 -4.70 120.40 118.08 1yhq s VAL 69 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1yhq s VAL 69 Cb 0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1yhq s VAL 69 CO 0.00 0.49 -0.12 -0.22 0.00 0.00 0.00 175.10 175.25 1yhq s LEU 70 N 0.03 2.58 -0.07 3.92 2.96 -1.26 -4.50 118.68 122.33 1yhq s LEU 70 Ca -0.06 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1yhq s LEU 70 Cb -0.13 -1.61 -0.09 0.00 0.50 0.00 0.00 46.19 44.85 1yhq s LEU 70 CO 0.04 0.04 0.03 0.00 -1.32 0.00 0.00 176.35 175.13 1yhq n GLN 71 N 4.39 2.81 -1.89 1.98 6.02 -1.26 -4.86 117.38 124.57 1yhq n GLN 71 Ca -0.19 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.38 1yhq n GLN 71 Cb 0.51 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.57 1yhq n GLN 71 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1yhq s LYS 72 N -2.18 4.19 -1.40 -1.09 1.02 -1.26 -4.89 119.74 114.13 1yhq s LYS 72 Ca -0.04 2.46 -0.14 0.00 0.02 0.00 0.00 55.97 58.28 1yhq s LYS 72 Cb 0.02 -3.02 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 1yhq s LYS 72 CO 0.29 -0.47 2.08 -3.47 -0.92 0.00 0.00 175.35 172.86 1yhq n ASP 73 N 1.24 4.26 -4.77 2.83 2.03 -1.24 -4.54 116.55 116.35 1yhq n ASP 73 Ca 0.03 -2.90 -0.22 0.00 0.52 0.00 0.00 54.79 52.22 1yhq n ASP 73 Cb 0.39 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.10 1yhq n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1yhq s VAL 74 N 2.88 3.43 -0.30 5.18 -7.23 -1.26 -4.63 120.40 118.46 1yhq s VAL 74 Ca 0.47 -1.58 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 1yhq s VAL 74 Cb 0.11 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1yhq s VAL 74 CO -0.05 -0.22 0.09 -0.89 -0.31 0.00 0.00 175.10 173.72 1yhq s THR 75 N -2.34 3.97 -0.21 5.32 2.01 -1.26 -1.78 115.64 121.35 1yhq s THR 75 Ca 0.37 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 1yhq s THR 75 Cb -0.05 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1yhq s THR 75 CO 0.24 0.04 0.11 -0.69 -0.69 0.00 0.00 174.62 173.63 1yhq s VAL 76 N 1.49 5.01 -0.20 3.82 1.01 -0.44 -0.58 120.40 130.51 1yhq s VAL 76 Ca 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1yhq s VAL 76 Cb -0.17 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1yhq s VAL 76 CO 0.03 0.40 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 1yhq s ALA 77 N 0.78 2.76 0.17 5.51 0.00 0.21 -0.27 121.76 130.93 1yhq s ALA 77 Ca 0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1yhq s ALA 77 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1yhq s ALA 77 CO 0.02 -0.32 0.15 0.00 0.00 0.00 0.00 175.76 175.61 1yhq s ALA 78 N 1.29 0.75 0.30 0.00 0.00 -0.95 -0.42 121.76 122.73 1yhq s ALA 78 Ca 0.04 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1yhq s ALA 78 Cb -0.14 1.07 0.48 0.00 0.00 0.00 0.00 23.12 24.53 1yhq s ALA 78 CO -0.03 -0.58 1.77 0.28 0.00 0.00 0.00 175.76 177.20 1yhq h VAL 79 N 2.68 1.24 -2.10 0.00 2.07 -1.19 -2.94 116.25 116.02 1yhq h VAL 79 Ca -0.34 -1.13 0.14 0.00 0.82 0.00 0.00 66.70 66.20 1yhq h VAL 79 Cb 1.23 1.25 -0.16 0.00 -1.52 0.00 0.00 31.29 32.09 1yhq h VAL 79 CO 0.53 0.36 0.57 -0.62 0.02 0.00 0.00 177.57 178.43 1yhq s ASP 80 N -6.80 -0.31 0.08 0.57 2.15 -1.21 -4.84 116.67 106.30 1yhq s ASP 80 Ca -0.07 -0.00 0.05 0.00 0.43 0.00 0.00 52.55 52.96 1yhq s ASP 80 Cb 0.14 0.33 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1yhq s ASP 80 CO 0.78 -0.53 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.75 1yhq s PHE 81 N -2.96 1.18 0.79 -5.34 0.40 -1.26 -0.69 117.98 110.09 1yhq s PHE 81 Ca 0.06 -0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 55.79 1yhq s PHE 81 Cb -0.01 -0.66 0.06 0.00 0.51 0.00 0.00 43.02 42.93 1yhq s PHE 81 CO -0.08 0.05 1.09 -1.54 0.70 0.00 0.00 175.22 175.44 1yhq s SER 82 N -1.85 4.56 0.20 1.36 1.04 -0.52 -4.81 113.70 113.68 1yhq s SER 82 Ca -0.01 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 57.70 1yhq s SER 82 Cb -0.09 -2.14 0.20 0.00 0.10 0.00 0.00 66.02 64.10 1yhq s SER 82 CO 0.02 -1.94 1.81 1.23 0.98 0.00 0.00 173.24 175.34 1yhq h GLY 83 N -1.06 0.92 0.93 7.32 0.00 -2.00 -2.10 103.07 107.08 1yhq h GLY 83 Ca -0.47 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1yhq h GLY 83 CO 0.58 0.17 0.03 -0.84 0.00 0.00 0.00 176.54 176.49 1yhq h THR 84 N 0.67 1.25 0.24 4.70 2.02 -1.96 -2.64 112.91 117.20 1yhq h THR 84 Ca 0.28 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1yhq h THR 84 Cb 0.14 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1yhq h THR 84 CO -0.16 0.31 -0.39 0.00 0.37 0.00 0.00 175.52 175.65 1yhq h ALA 85 N 0.90 -0.77 -0.14 6.16 0.00 -1.75 -0.74 119.26 122.92 1yhq h ALA 85 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1yhq h ALA 85 Cb 0.42 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1yhq h ALA 85 CO 0.01 -0.98 0.16 1.49 0.00 0.00 0.00 179.25 179.93 1yhq h GLU 86 N -0.71 0.00 0.03 0.00 4.81 -1.41 -0.70 114.58 116.59 1yhq h GLU 86 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1yhq h GLU 86 Cb 0.68 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.07 1yhq h GLU 86 CO -0.16 0.00 -0.31 1.15 -0.73 0.00 0.00 179.01 178.96 1yhq h THR 87 N 0.00 1.59 -0.40 0.32 2.02 -0.86 -2.89 112.91 112.69 1yhq h THR 87 Ca 0.07 -2.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.05 1yhq h THR 87 Cb 0.38 2.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1yhq h THR 87 CO -0.00 0.59 0.05 0.11 0.37 0.00 0.00 175.52 176.63 1yhq h LYS 88 N -0.57 0.67 -0.79 6.66 1.57 -0.58 -3.07 116.57 120.47 1yhq h LYS 88 Ca -0.05 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1yhq h LYS 88 Cb 1.13 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1yhq h LYS 88 CO 0.06 0.73 0.52 0.82 -0.57 0.00 0.00 179.45 181.01 1yhq h ILE 89 N 0.52 1.18 0.00 1.86 2.04 -1.27 -2.12 117.51 119.72 1yhq h ILE 89 Ca 0.12 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1yhq h ILE 89 Cb 0.40 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1yhq h ILE 89 CO 0.01 0.19 0.00 0.47 0.00 0.00 0.00 178.15 178.82 1yhq n ASP 90 N -4.55 0.55 0.16 1.72 8.00 -1.09 0.32 116.55 121.67 1yhq n ASP 90 Ca 0.08 0.64 0.04 0.00 0.71 0.00 0.00 54.79 56.26 1yhq n ASP 90 Cb 0.03 -0.75 0.15 0.00 -0.02 0.00 0.00 41.12 40.53 1yhq n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1yhq h GLN 91 N 0.00 0.00 0.00 -1.24 4.20 -1.29 -3.35 115.11 113.43 1yhq h GLN 91 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yhq h GLN 91 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1yhq h GLN 91 CO 0.00 0.45 0.00 1.33 -0.67 0.00 0.00 178.83 179.94 1yhq n VAL 92 N -3.32 0.00 0.00 -0.54 0.24 -1.08 -5.10 118.33 108.53 1yhq n VAL 92 Ca 0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1yhq n VAL 92 Cb 0.65 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 34.31 1yhq n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yhq n GLY 93 N 0.20 3.53 3.21 7.63 0.00 0.15 -3.66 105.19 116.24 1yhq n GLY 93 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1yhq n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yhq s GLU 94 N 4.55 0.35 -0.19 1.61 2.12 -0.73 -4.30 118.70 122.11 1yhq s GLU 94 Ca 0.00 0.62 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 1yhq s GLU 94 Cb 0.00 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1yhq s GLU 94 CO 0.00 -0.12 0.20 0.00 -0.54 0.00 0.00 175.26 174.80 1yhq s ALA 95 N 0.95 3.64 0.05 6.30 0.00 -1.26 -1.33 121.76 130.13 1yhq s ALA 95 Ca -0.06 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1yhq s ALA 95 Cb -0.07 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1yhq s ALA 95 CO -0.07 0.10 -0.11 0.08 0.00 0.00 0.00 175.76 175.76 1yhq s VAL 96 N 0.47 0.86 0.37 0.00 1.01 0.63 -4.96 120.40 118.79 1yhq s VAL 96 Ca 0.12 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 1yhq s VAL 96 Cb -0.12 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 1yhq s VAL 96 CO 0.01 -0.25 0.79 -0.94 0.00 0.00 0.00 175.10 174.71 1yhq s SER 97 N -1.57 6.72 0.54 3.32 1.04 -1.26 -2.25 113.70 120.24 1yhq s SER 97 Ca -0.05 1.32 0.21 0.00 0.48 0.00 0.00 55.95 57.92 1yhq s SER 97 Cb -0.10 -2.39 1.43 0.00 0.10 0.00 0.00 66.02 65.07 1yhq s SER 97 CO 0.01 -0.31 2.14 -0.07 0.98 0.00 0.00 173.24 175.99 1yhq h LEU 98 N 1.84 0.00 -1.16 2.42 4.07 -1.84 0.11 115.31 120.75 1yhq h LEU 98 Ca -0.48 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.42 1yhq h LEU 98 Cb 1.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1yhq h LEU 98 CO 0.64 0.00 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.53 1yhq h GLU 99 N 0.00 0.41 0.05 1.13 3.07 -1.92 -0.18 114.58 117.15 1yhq h GLU 99 Ca 0.05 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 1yhq h GLU 99 Cb 0.23 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1yhq h GLU 99 CO -0.00 0.56 -0.51 1.96 -1.40 0.00 0.00 179.01 179.62 1yhq h GLN 100 N 0.39 0.26 -0.41 2.33 4.20 -1.41 -3.11 115.11 117.36 1yhq h GLN 100 Ca 0.07 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 58.52 1yhq h GLN 100 Cb 0.48 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.29 1yhq h GLN 100 CO 0.03 1.09 -0.16 0.00 -0.67 0.00 0.00 178.83 179.12 1yhq h ALA 101 N 0.19 0.17 -0.38 3.87 0.00 -0.99 0.11 119.26 122.23 1yhq h ALA 101 Ca -0.08 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1yhq h ALA 101 Cb 1.30 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1yhq h ALA 101 CO 0.10 -0.51 0.25 0.82 0.00 0.00 0.00 179.25 179.91 1yhq h ILE 102 N -0.08 1.01 0.10 0.00 2.04 -1.12 0.89 117.51 120.36 1yhq h ILE 102 Ca 0.20 -0.13 -0.29 0.00 1.00 0.00 0.00 64.86 65.64 1yhq h ILE 102 Cb 0.38 0.61 0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1yhq h ILE 102 CO -0.46 0.07 -1.22 -0.08 0.00 0.00 0.00 178.15 176.46 1yhq h GLU 103 N 0.37 0.62 0.00 2.37 4.81 -0.81 -2.55 114.58 119.39 1yhq h GLU 103 Ca 0.16 -0.81 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 1yhq h GLU 103 Cb 0.17 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1yhq h GLU 103 CO -0.04 1.37 -0.22 -0.91 -0.73 0.00 0.00 179.01 178.48 1yhq h ASN 104 N 0.29 0.00 -1.13 1.04 2.35 -0.65 -3.39 115.58 114.09 1yhq h ASN 104 Ca -0.18 -0.04 -0.38 0.00 -0.55 0.00 0.00 56.30 55.15 1yhq h ASN 104 Cb 1.89 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.97 1yhq h ASN 104 CO 0.23 0.02 -0.86 -3.20 -1.65 0.00 0.00 177.43 171.97 1yhq n ASN 105 N -2.52 -0.70 0.23 5.81 5.15 0.28 -4.97 115.26 118.54 1yhq n ASN 105 Ca 0.04 -3.23 0.17 0.00 -0.60 0.00 0.00 54.58 50.97 1yhq n ASN 105 Cb 0.47 0.48 0.86 0.00 -0.53 0.00 0.00 39.78 41.06 1yhq n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1yhq h PRO 106 N 3.24 0.00 -0.00 1.20 0.13 -1.63 0.52 132.00 135.46 1yhq h PRO 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yhq h PRO 106 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1yhq h PRO 106 CO 0.35 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.46 1yhq n GLU 107 N -3.67 0.02 -3.74 0.86 4.71 -1.26 -3.71 120.64 113.85 1yhq n GLU 107 Ca 0.01 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.85 1yhq n GLU 107 Cb 0.31 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.27 1yhq n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yhq n GLY 108 N 1.49 -0.84 3.87 0.62 0.00 0.18 -2.92 105.19 107.59 1yhq n GLY 108 Ca 0.07 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.27 1yhq n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yhq s SER 109 N -3.64 5.75 -1.34 1.61 1.04 -1.26 -4.61 113.70 111.25 1yhq s SER 109 Ca 0.39 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 1yhq s SER 109 Cb -0.14 -1.53 -0.00 0.00 0.10 0.00 0.00 66.02 64.44 1yhq s SER 109 CO 0.87 -0.05 0.53 1.41 0.98 0.00 0.00 173.24 176.98 1yhq n HIS 110 N -1.25 -1.73 -4.41 5.02 8.25 -1.26 -4.86 115.22 114.98 1yhq n HIS 110 Ca -0.08 0.71 -0.21 0.00 -0.26 0.00 0.00 57.72 57.88 1yhq n HIS 110 Cb 0.58 -3.80 -0.14 0.00 1.12 0.00 0.00 29.99 27.75 1yhq n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1yhq s VAL 111 N -3.82 1.16 -0.14 1.59 0.11 -1.26 -1.88 120.40 116.15 1yhq s VAL 111 Ca 0.08 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1yhq s VAL 111 Cb -0.03 -1.04 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1yhq s VAL 111 CO 0.87 0.05 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.94 1yhq s ARG 112 N -1.06 2.34 0.02 1.54 6.06 0.13 -4.93 118.95 123.05 1yhq s ARG 112 Ca 0.02 -0.58 -0.30 0.00 -2.50 0.00 0.00 55.73 52.37 1yhq s ARG 112 Cb -0.08 -2.10 -0.04 0.00 0.06 0.00 0.00 34.95 32.79 1yhq s ARG 112 CO 0.01 -0.19 1.05 0.08 -2.50 0.00 0.00 175.30 173.75 1yhq s VAL 113 N 1.36 4.59 -0.06 7.11 1.01 -1.26 -0.30 120.40 132.85 1yhq s VAL 113 Ca 0.02 1.86 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1yhq s VAL 113 Cb -0.13 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1yhq s VAL 113 CO -0.09 0.15 -0.07 -0.63 0.00 0.00 0.00 175.10 174.46 1yhq s ILE 114 N 1.00 0.77 0.00 2.22 -1.09 -0.13 -4.90 121.20 119.07 1yhq s ILE 114 Ca 0.54 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 1yhq s ILE 114 Cb -0.24 -0.76 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 1yhq s ILE 114 CO 0.28 0.28 0.11 -2.11 -1.23 0.00 0.00 174.94 172.27