#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq h THR 2 N 0.00 1.53 -1.56 0.00 2.02 -2.01 -3.49 112.91 109.40 1yhq h THR 2 Ca 0.00 -2.74 0.12 0.00 0.77 0.00 0.00 66.41 64.56 1yhq h THR 2 Cb 0.00 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1yhq h THR 2 CO 0.00 0.80 0.32 0.61 0.37 0.00 0.00 175.52 177.62 1yhq n GLY 3 N 0.95 0.54 0.36 2.16 0.00 -1.26 -4.99 105.19 102.94 1yhq n GLY 3 Ca -0.03 -0.92 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1yhq n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yhq h PRO 4 N 0.00 0.98 0.00 1.61 0.11 -2.08 -2.07 132.00 130.56 1yhq h PRO 4 Ca -0.08 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1yhq h PRO 4 Cb 0.43 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1yhq h PRO 4 CO 0.12 0.65 -0.03 -2.13 -0.21 0.00 0.00 178.00 176.39 1yhq n ARG 5 N -4.61 0.23 -1.76 1.05 0.63 -1.26 -4.90 116.66 106.04 1yhq n ARG 5 Ca 0.17 0.18 -0.40 0.00 -0.92 0.00 0.00 57.85 56.88 1yhq n ARG 5 Cb 0.30 -1.76 0.02 0.00 0.45 0.00 0.00 32.46 31.47 1yhq n ARG 5 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1yhq n TYR 6 N -2.16 2.74 -3.86 -0.14 9.36 -0.78 -4.99 117.16 117.32 1yhq n TYR 6 Ca 0.06 0.44 -0.36 0.00 3.32 0.00 0.00 57.90 61.36 1yhq n TYR 6 Cb 0.42 -2.47 -0.13 0.00 -0.63 0.00 0.00 39.34 36.53 1yhq n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1yhq s LYS 7 N -2.42 2.55 -0.13 2.98 2.47 -1.26 -4.74 119.74 119.20 1yhq s LYS 7 Ca 0.60 -1.20 -0.17 0.00 -1.56 0.00 0.00 55.97 53.64 1yhq s LYS 7 Cb -0.45 -3.25 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 1yhq s LYS 7 CO 0.58 -0.60 0.45 0.08 0.16 0.00 0.00 175.35 176.01 1yhq s VAL 8 N 1.31 5.21 1.10 4.02 1.01 -1.26 -4.99 120.40 126.80 1yhq s VAL 8 Ca -0.04 0.89 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 1yhq s VAL 8 Cb -0.19 -3.79 0.22 0.00 0.00 0.00 0.00 36.38 32.62 1yhq s VAL 8 CO -0.00 0.33 0.88 -2.65 0.00 0.00 0.00 175.10 173.66 1yhq n PRO 9 N 3.67 -1.78 -1.87 2.72 -0.02 -1.26 -4.94 135.00 131.52 1yhq n PRO 9 Ca -0.08 -0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 60.57 1yhq n PRO 9 Cb 0.52 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1yhq n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1yhq s MET 10 N -4.28 2.79 0.13 -0.52 -1.94 -1.26 -4.74 119.30 109.48 1yhq s MET 10 Ca 0.66 1.73 -0.30 0.00 -1.71 0.00 0.00 55.69 56.07 1yhq s MET 10 Cb -0.23 -1.92 -0.07 0.00 2.01 0.00 0.00 34.83 34.62 1yhq s MET 10 CO 0.64 -1.32 1.57 -0.09 -0.01 0.00 0.00 175.02 175.81 1yhq h ARG 11 N 0.52 -0.48 0.00 2.03 2.43 -2.00 0.27 114.38 117.16 1yhq h ARG 11 Ca -0.49 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1yhq h ARG 11 Cb 1.29 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1yhq h ARG 11 CO 0.54 -0.32 0.00 0.54 -1.51 0.00 0.00 179.97 179.22 1yhq n ARG 12 N -5.43 0.03 0.03 0.20 1.74 -1.26 -0.82 116.66 111.15 1yhq n ARG 12 Ca -0.04 0.34 -0.21 0.00 -0.77 0.00 0.00 57.85 57.17 1yhq n ARG 12 Cb 0.37 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 1yhq n ARG 12 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1yhq h ARG 13 N 0.00 0.29 0.39 5.56 9.65 -0.75 -2.51 114.38 127.01 1yhq h ARG 13 Ca 0.00 -0.50 -0.02 0.00 -1.10 0.00 0.00 59.98 58.36 1yhq h ARG 13 Cb 0.05 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1yhq h ARG 13 CO 0.00 1.20 -0.19 0.00 2.80 0.00 0.00 179.97 183.78 1yhq h ARG 14 N 0.08 -0.50 0.00 0.20 3.08 0.05 -1.85 114.38 115.44 1yhq h ARG 14 Ca -0.38 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1yhq h ARG 14 Cb 2.05 0.11 0.00 0.00 0.08 0.00 0.00 29.97 32.22 1yhq h ARG 14 CO 0.12 -0.28 0.07 0.39 -1.07 0.00 0.00 179.97 179.20 1yhq n GLU 15 N -5.28 0.05 -3.60 0.04 1.02 -0.53 -4.82 120.64 107.52 1yhq n GLU 15 Ca -0.11 0.51 -0.20 0.00 -0.02 0.00 0.00 57.16 57.34 1yhq n GLU 15 Cb 0.25 -1.73 0.05 0.00 -0.02 0.00 0.00 31.44 29.99 1yhq n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yhq n ALA 16 N -1.54 -2.06 0.00 0.62 0.00 -0.69 -4.91 120.51 111.92 1yhq n ALA 16 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1yhq n ALA 16 Cb 0.08 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1yhq n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yhq n ARG 17 N -4.17 1.69 -4.03 0.00 1.74 -0.98 -5.03 116.66 105.88 1yhq n ARG 17 Ca -0.28 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.50 1yhq n ARG 17 Cb 0.67 -0.89 -0.16 0.00 -1.02 0.00 0.00 32.46 31.06 1yhq n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1yhq s THR 18 N -1.60 1.66 -0.72 0.55 2.01 -1.00 -4.72 115.64 111.82 1yhq s THR 18 Ca 0.00 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 1yhq s THR 18 Cb 0.00 -1.57 0.08 0.00 0.01 0.00 0.00 72.50 71.02 1yhq s THR 18 CO 0.00 0.44 1.01 -0.62 -0.69 0.00 0.00 174.62 174.76 1yhq s ASP 19 N 1.44 6.26 0.45 3.53 -1.08 -1.26 -4.60 116.67 121.42 1yhq s ASP 19 Ca 0.04 -1.17 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 1yhq s ASP 19 Cb -0.13 -2.42 1.03 0.00 -1.46 0.00 0.00 42.92 39.93 1yhq s ASP 19 CO -0.11 -1.39 2.05 1.88 0.52 0.00 0.00 175.17 178.12 1yhq h TYR 20 N 9.46 0.15 -0.31 -5.34 -1.99 -1.97 -0.30 116.97 116.67 1yhq h TYR 20 Ca -0.20 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.42 1yhq h TYR 20 Cb 1.06 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1yhq h TYR 20 CO 1.01 0.18 -0.21 0.45 -0.00 0.00 0.00 178.16 179.59 1yhq h HIS 21 N 0.15 0.82 -0.54 4.88 3.86 -2.01 -1.97 115.15 120.35 1yhq h HIS 21 Ca 0.04 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 1yhq h HIS 21 Cb 0.14 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1yhq h HIS 21 CO 0.00 0.94 -0.07 0.37 0.86 0.00 0.00 177.93 180.04 1yhq h GLN 22 N 0.46 0.99 -0.52 2.45 4.15 -1.88 -3.01 115.11 117.75 1yhq h GLN 22 Ca 0.06 -0.34 0.05 0.00 0.77 0.00 0.00 58.65 59.19 1yhq h GLN 22 Cb 0.76 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 1yhq h GLN 22 CO 0.06 1.01 0.25 -0.09 -1.93 0.00 0.00 178.83 178.13 1yhq h ARG 23 N 0.89 0.48 0.56 1.69 2.43 -0.90 -0.70 114.38 118.83 1yhq h ARG 23 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1yhq h ARG 23 Cb 0.61 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1yhq h ARG 23 CO 0.04 0.32 -0.34 1.25 -1.51 0.00 0.00 179.97 179.73 1yhq h LEU 24 N 0.49 -0.84 -1.35 3.80 5.85 -1.24 0.11 115.31 122.13 1yhq h LEU 24 Ca 0.23 0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.20 1yhq h LEU 24 Cb 0.15 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1yhq h LEU 24 CO -0.17 -0.53 0.61 0.03 -0.34 0.00 0.00 178.44 178.04 1yhq h ARG 25 N -0.85 0.50 0.16 1.25 3.08 -1.38 -1.13 114.38 116.01 1yhq h ARG 25 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1yhq h ARG 25 Cb 0.69 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1yhq h ARG 25 CO 0.07 0.33 -0.08 1.25 -1.07 0.00 0.00 179.97 180.48 1yhq h LEU 26 N 0.52 -0.18 -1.08 3.04 5.85 -0.41 -3.03 115.31 120.01 1yhq h LEU 26 Ca 0.52 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1yhq h LEU 26 Cb 1.13 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1yhq h LEU 26 CO -0.25 0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.19 1yhq n LEU 27 N -5.04 0.54 0.18 2.25 4.77 0.30 -2.52 117.00 117.47 1yhq n LEU 27 Ca -0.09 0.71 0.02 0.00 -0.03 0.00 0.00 56.01 56.62 1yhq n LEU 27 Cb 0.22 -0.73 0.33 0.00 -2.33 0.00 0.00 43.42 40.91 1yhq n LEU 27 CO 0.32 -0.79 0.67 0.11 -1.33 0.00 0.00 177.39 176.38 1yhq h LYS 28 N 0.00 0.00 -0.73 3.23 1.57 -1.22 -2.90 116.57 116.52 1yhq h LYS 28 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1yhq h LYS 28 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1yhq h LYS 28 CO 0.00 0.42 0.48 0.66 -0.57 0.00 0.00 179.45 180.44 1yhq h SER 29 N 0.00 0.50 0.00 0.86 4.64 -1.64 -3.45 113.55 114.46 1yhq h SER 29 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1yhq h SER 29 Cb 0.77 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1yhq h SER 29 CO 0.05 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 1yhq n GLY 30 N -1.48 1.32 3.97 -0.77 0.00 -1.10 -5.03 105.19 102.10 1yhq n GLY 30 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1yhq n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq s LYS 31 N -0.36 2.77 0.60 1.61 1.02 -1.26 -5.08 119.74 119.03 1yhq s LYS 31 Ca 0.00 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 1yhq s LYS 31 Cb 0.00 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1yhq s LYS 31 CO 0.00 -0.48 1.04 -2.14 -0.92 0.00 0.00 175.35 172.85 1yhq s PRO 32 N -4.61 3.39 -0.05 -1.68 0.02 -1.25 -4.80 135.00 126.02 1yhq s PRO 32 Ca 0.54 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 62.51 1yhq s PRO 32 Cb -0.10 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 1yhq s PRO 32 CO 0.37 -0.74 0.30 1.03 -0.33 0.00 0.00 177.00 177.62 1yhq s ARG 33 N -4.37 3.72 -0.75 5.54 0.52 -0.01 -1.05 118.95 122.55 1yhq s ARG 33 Ca 0.61 0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 55.85 1yhq s ARG 33 Cb -0.14 -3.20 0.19 0.00 0.52 0.00 0.00 34.95 32.31 1yhq s ARG 33 CO 0.41 0.73 0.72 -1.17 0.02 0.00 0.00 175.30 176.00 1yhq s LEU 34 N -1.08 6.45 -0.43 2.53 2.96 0.45 -1.08 118.68 128.47 1yhq s LEU 34 Ca 0.20 -2.36 -0.29 0.00 -0.22 0.00 0.00 54.13 51.47 1yhq s LEU 34 Cb -0.15 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.33 1yhq s LEU 34 CO 0.10 -0.70 1.39 -0.69 -1.32 0.00 0.00 176.35 175.12 1yhq s VAL 35 N 0.81 3.92 -0.30 1.68 1.01 0.12 -1.35 120.40 126.29 1yhq s VAL 35 Ca 0.15 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 1yhq s VAL 35 Cb -0.16 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1yhq s VAL 35 CO -0.05 -0.81 0.16 0.00 0.00 0.00 0.00 175.10 174.40 1yhq s ALA 36 N 5.40 3.34 0.08 5.51 0.00 -0.47 -1.34 121.76 134.27 1yhq s ALA 36 Ca 0.59 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1yhq s ALA 36 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1yhq s ALA 36 CO 0.32 -0.79 -0.13 1.03 0.00 0.00 0.00 175.76 176.19 1yhq s ARG 37 N 1.66 0.82 0.19 0.00 1.81 -0.53 -4.50 118.95 118.40 1yhq s ARG 37 Ca 0.06 -0.99 0.10 0.00 -1.72 0.00 0.00 55.73 53.18 1yhq s ARG 37 Cb -0.17 -0.78 -0.04 0.00 -0.45 0.00 0.00 34.95 33.51 1yhq s ARG 37 CO 0.07 0.17 -0.21 0.15 -0.68 0.00 0.00 175.30 174.80 1yhq s LYS 38 N -1.91 1.43 0.21 3.54 1.02 -1.26 -1.43 119.74 121.34 1yhq s LYS 38 Ca -0.01 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 54.50 1yhq s LYS 38 Cb -0.09 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 1yhq s LYS 38 CO 0.02 0.33 0.01 0.45 -0.92 0.00 0.00 175.35 175.24 1yhq s SER 39 N -2.80 1.47 0.45 2.83 0.15 0.83 -4.99 113.70 111.64 1yhq s SER 39 Ca 0.20 -1.21 0.11 0.00 0.70 0.00 0.00 55.95 55.75 1yhq s SER 39 Cb -0.06 0.08 1.01 0.00 -1.71 0.00 0.00 66.02 65.33 1yhq s SER 39 CO 0.09 -0.56 2.08 0.78 1.20 0.00 0.00 173.24 176.83 1yhq h ASN 40 N 2.57 0.31 0.00 5.45 2.35 -1.99 -3.25 115.58 121.02 1yhq h ASN 40 Ca -0.37 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 1yhq h ASN 40 Cb 1.22 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 1yhq h ASN 40 CO 0.63 0.22 -1.56 0.29 -1.65 0.00 0.00 177.43 175.36 1yhq n LYS 41 N -4.49 1.50 -4.50 0.81 5.02 -1.26 -4.81 118.16 110.44 1yhq n LYS 41 Ca 0.02 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 1yhq n LYS 41 Cb 0.11 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1yhq n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1yhq s HIS 42 N -2.44 1.96 -0.05 2.13 3.76 -1.23 -2.72 115.29 116.70 1yhq s HIS 42 Ca -0.04 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 1yhq s HIS 42 Cb 0.04 -1.31 0.02 0.00 1.11 0.00 0.00 32.58 32.44 1yhq s HIS 42 CO 0.40 -0.02 -0.03 0.08 -0.85 0.00 0.00 174.74 174.33 1yhq s VAL 43 N -3.21 0.45 -0.01 -0.90 1.01 -1.25 -0.12 120.40 116.37 1yhq s VAL 43 Ca 0.31 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1yhq s VAL 43 Cb 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1yhq s VAL 43 CO 0.15 0.22 -0.21 -0.60 0.00 0.00 0.00 175.10 174.65 1yhq s ARG 44 N 1.21 2.17 -0.08 2.72 3.52 -0.51 -0.78 118.95 127.19 1yhq s ARG 44 Ca -0.07 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 1yhq s ARG 44 Cb -0.14 -2.15 0.02 0.00 -1.56 0.00 0.00 34.95 31.13 1yhq s ARG 44 CO -0.02 0.57 -0.06 0.00 -0.81 0.00 0.00 175.30 174.98 1yhq s ALA 45 N -0.73 1.06 0.06 6.12 0.00 -0.24 -1.45 121.76 126.59 1yhq s ALA 45 Ca 0.11 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1yhq s ALA 45 Cb -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1yhq s ALA 45 CO 0.01 -0.28 -0.18 -0.65 0.00 0.00 0.00 175.76 174.66 1yhq s GLN 46 N 1.48 1.14 -0.53 0.00 -0.21 -0.45 -0.73 119.66 120.35 1yhq s GLN 46 Ca -0.01 -0.96 -0.07 0.00 0.02 0.00 0.00 55.36 54.35 1yhq s GLN 46 Cb -0.13 -1.26 0.14 0.00 1.00 0.00 0.00 33.01 32.76 1yhq s GLN 46 CO -0.04 0.31 0.39 -0.51 -2.12 0.00 0.00 175.29 173.31 1yhq s LEU 47 N -1.42 5.62 -0.06 2.90 2.01 0.16 0.15 118.68 128.04 1yhq s LEU 47 Ca 0.05 -2.25 -0.04 0.00 0.01 0.00 0.00 54.13 51.90 1yhq s LEU 47 Cb -0.09 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 1yhq s LEU 47 CO 0.02 -0.58 0.13 -0.69 1.01 0.00 0.00 176.35 176.25 1yhq s VAL 48 N 0.85 5.22 0.22 -1.59 1.01 -0.24 -0.92 120.40 124.95 1yhq s VAL 48 Ca 0.10 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1yhq s VAL 48 Cb -0.22 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1yhq s VAL 48 CO -0.03 0.47 -0.18 0.28 0.00 0.00 0.00 175.10 175.65 1yhq s THR 49 N -1.14 2.06 0.43 3.92 -1.32 0.22 -0.83 115.64 118.97 1yhq s THR 49 Ca 0.20 -2.20 -0.23 0.00 -1.21 0.00 0.00 61.69 58.25 1yhq s THR 49 Cb -0.12 -2.09 -0.09 0.00 -1.51 0.00 0.00 72.50 68.69 1yhq s THR 49 CO 0.10 -0.43 1.06 -0.22 -2.21 0.00 0.00 174.62 172.93 1yhq s LEU 50 N -3.19 4.04 0.05 9.08 2.96 -1.26 0.54 118.68 130.91 1yhq s LEU 50 Ca 0.23 2.05 -0.08 0.00 -0.22 0.00 0.00 54.13 56.12 1yhq s LEU 50 Cb -0.04 -4.29 -0.00 0.00 0.50 0.00 0.00 46.19 42.35 1yhq s LEU 50 CO 0.10 -0.63 0.15 -0.83 -1.32 0.00 0.00 176.35 173.81 1yhq s GLY 51 N -1.64 0.11 0.46 7.98 0.00 -1.00 -4.67 107.32 108.56 1yhq s GLY 51 Ca 0.61 -0.48 0.19 0.00 0.00 0.00 0.00 44.72 45.04 1yhq s GLY 51 CO 0.27 -0.64 1.92 -2.55 0.00 0.00 0.00 173.10 172.10 1yhq h PRO 52 N 3.39 0.29 -0.03 2.90 0.11 -1.97 -2.64 132.00 134.04 1yhq h PRO 52 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1yhq h PRO 52 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1yhq h PRO 52 CO 0.51 0.19 0.00 0.09 -0.21 0.00 0.00 178.00 178.58 1yhq n ASN 53 N -4.45 1.52 0.00 -2.05 3.02 -1.26 -5.09 115.26 106.96 1yhq n ASN 53 Ca 0.15 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1yhq n ASN 53 Cb 0.61 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1yhq n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yhq n GLY 54 N 0.01 1.30 3.70 7.41 0.00 -1.00 -5.13 105.19 111.47 1yhq n GLY 54 Ca 0.02 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1yhq n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yhq s ASP 55 N 0.00 3.34 -0.14 1.61 1.01 -1.26 -2.37 116.67 118.86 1yhq s ASP 55 Ca 0.00 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.27 1yhq s ASP 55 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.43 1yhq s ASP 55 CO 0.00 -2.80 -0.13 -1.81 0.21 0.00 0.00 175.17 170.64 1yhq s ASP 56 N -2.93 2.55 -0.31 0.27 1.01 0.19 -4.80 116.67 112.65 1yhq s ASP 56 Ca 0.65 -0.44 -0.19 0.00 0.71 0.00 0.00 52.55 53.28 1yhq s ASP 56 Cb -0.21 -1.09 -0.01 0.00 1.01 0.00 0.00 42.92 42.62 1yhq s ASP 56 CO 0.58 -0.07 0.59 -0.89 0.21 0.00 0.00 175.17 175.59 1yhq s THR 57 N 1.52 4.97 -0.56 -1.27 2.01 -1.26 0.71 115.64 121.75 1yhq s THR 57 Ca 0.04 0.73 0.23 0.00 0.31 0.00 0.00 61.69 63.00 1yhq s THR 57 Cb -0.13 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1yhq s THR 57 CO -0.10 -0.14 1.08 0.18 -0.69 0.00 0.00 174.62 174.96 1yhq n LEU 58 N 5.82 0.63 -3.58 4.42 4.32 -0.09 -4.96 117.00 123.57 1yhq n LEU 58 Ca -0.02 0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 55.95 1yhq n LEU 58 Cb 0.49 -0.11 -0.05 0.00 -1.62 0.00 0.00 43.42 42.13 1yhq n LEU 58 CO 0.45 -0.00 0.82 0.00 -1.22 0.00 0.00 177.39 177.44 1yhq s ALA 59 N -3.22 -1.95 0.26 -1.18 0.00 -1.25 -4.90 121.76 109.54 1yhq s ALA 59 Ca 0.04 1.57 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 1yhq s ALA 59 Cb 0.14 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1yhq s ALA 59 CO 0.78 -0.35 0.66 -1.54 0.00 0.00 0.00 175.76 175.32 1yhq s SER 60 N -1.27 -0.24 -0.19 0.00 1.04 -1.26 -0.67 113.70 111.10 1yhq s SER 60 Ca 0.00 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 55.65 1yhq s SER 60 Cb -0.01 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.86 1yhq s SER 60 CO -0.01 -1.28 0.50 0.00 0.98 0.00 0.00 173.24 173.43 1yhq s ALA 61 N -3.93 -1.24 -0.04 5.32 0.00 0.09 -4.59 121.76 117.37 1yhq s ALA 61 Ca 0.12 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.65 1yhq s ALA 61 Cb -0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1yhq s ALA 61 CO 0.06 -0.25 -0.22 -1.58 0.00 0.00 0.00 175.76 173.77 1yhq s HIS 62 N 0.60 2.11 0.59 0.00 2.46 -1.26 -1.07 115.29 118.72 1yhq s HIS 62 Ca -0.03 -0.55 0.29 0.00 0.47 0.00 0.00 55.06 55.24 1yhq s HIS 62 Cb -0.05 -1.38 1.46 0.00 -0.13 0.00 0.00 32.58 32.48 1yhq s HIS 62 CO -0.04 -0.14 1.87 0.66 -2.47 0.00 0.00 174.74 174.62 1yhq h SER 63 N 5.95 0.00 0.45 9.88 4.64 -1.31 -1.73 113.55 131.43 1yhq h SER 63 Ca -0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 1yhq h SER 63 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1yhq h SER 63 CO 0.47 0.00 -0.22 0.77 -0.87 0.00 0.00 176.83 176.99 1yhq h SER 64 N 0.00 -0.51 0.00 4.97 4.64 -1.92 -2.23 113.55 118.49 1yhq h SER 64 Ca 0.22 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1yhq h SER 64 Cb 1.23 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1yhq h SER 64 CO -0.00 -0.27 0.00 -0.90 -0.87 0.00 0.00 176.83 174.79 1yhq n ASP 65 N -5.30 0.23 0.08 4.97 5.75 -0.65 -2.59 116.55 119.04 1yhq n ASP 65 Ca -0.11 -0.85 -0.15 0.00 -0.01 0.00 0.00 54.79 53.67 1yhq n ASP 65 Cb 0.28 -0.11 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1yhq n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1yhq h LEU 66 N 0.31 0.55 -1.65 -2.12 5.85 -1.44 -3.18 115.31 113.61 1yhq h LEU 66 Ca 0.00 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1yhq h LEU 66 Cb 0.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1yhq h LEU 66 CO 0.00 1.28 0.32 0.00 -0.34 0.00 0.00 178.44 179.70 1yhq h ALA 67 N 0.67 1.89 0.00 1.25 0.00 -1.69 -1.77 119.26 119.62 1yhq h ALA 67 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1yhq h ALA 67 Cb 1.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1yhq h ALA 67 CO 0.18 0.03 0.20 -1.91 0.00 0.00 0.00 179.25 177.74 1yhq n GLU 68 N -4.48 0.00 -0.00 0.00 2.13 -1.20 0.52 120.64 117.61 1yhq n GLU 68 Ca 0.06 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1yhq n GLU 68 Cb 0.22 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1yhq n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1yhq n TYR 69 N -1.25 0.00 0.00 4.31 4.02 -0.67 -4.99 117.16 118.58 1yhq n TYR 69 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1yhq n TYR 69 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1yhq n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yhq n GLY 70 N -0.09 0.97 3.37 2.72 0.00 0.18 -4.95 105.19 107.40 1yhq n GLY 70 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1yhq n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1yhq s TRP 71 N -1.76 3.11 -0.69 1.61 -0.11 -1.19 -4.88 118.94 115.04 1yhq s TRP 71 Ca 0.00 -0.82 0.08 0.00 1.22 0.00 0.00 56.10 56.57 1yhq s TRP 71 Cb 0.00 -2.23 0.21 0.00 -1.50 0.00 0.00 33.47 29.94 1yhq s TRP 71 CO 0.00 -0.52 1.15 -1.91 -4.62 0.00 0.00 176.95 171.05 1yhq n GLU 72 N 4.87 2.68 -3.24 5.86 2.13 -1.26 -4.40 120.64 127.29 1yhq n GLU 72 Ca -0.15 -1.82 -0.19 0.00 0.66 0.00 0.00 57.16 55.66 1yhq n GLU 72 Cb 0.49 -1.19 0.01 0.00 0.27 0.00 0.00 31.44 31.02 1yhq n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yhq s ALA 73 N -0.97 4.43 1.20 4.31 0.00 -1.26 -4.84 121.76 124.63 1yhq s ALA 73 Ca 0.16 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.18 1yhq s ALA 73 Cb 0.08 -1.35 0.28 0.00 0.00 0.00 0.00 23.12 22.13 1yhq s ALA 73 CO 0.11 -0.39 0.83 -2.30 0.00 0.00 0.00 175.76 174.01 1yhq n PRO 74 N -1.84 -2.59 -0.72 0.00 -0.02 -1.26 -4.99 135.00 123.58 1yhq n PRO 74 Ca 0.08 -0.73 0.06 0.00 -2.02 0.00 0.00 63.50 60.88 1yhq n PRO 74 Cb 0.61 -2.06 0.13 0.00 -0.02 0.00 0.00 33.50 32.16 1yhq n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1yhq n THR 75 N -5.00 1.43 -2.38 3.45 -2.24 -1.26 -4.78 114.28 103.51 1yhq n THR 75 Ca 0.02 -2.26 -0.12 0.00 -2.27 0.00 0.00 64.05 59.42 1yhq n THR 75 Cb 0.56 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.95 1yhq n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhq n GLY 76 N -0.68 4.21 3.44 3.38 0.00 -1.10 -3.85 105.19 110.59 1yhq n GLY 76 Ca 0.14 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 1yhq n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq s ASN 77 N -3.64 2.44 0.11 1.61 2.20 -1.26 -5.00 114.94 111.40 1yhq s ASN 77 Ca 0.40 -1.72 -0.28 0.00 -0.94 0.00 0.00 52.86 50.31 1yhq s ASN 77 Cb 0.37 0.56 -0.08 0.00 -2.00 0.00 0.00 41.25 40.10 1yhq s ASN 77 CO -0.00 -1.00 1.62 0.24 -2.94 0.00 0.00 177.10 175.02 1yhq h MET 78 N 1.88 -0.51 -0.82 3.55 2.86 -1.88 0.12 114.93 120.14 1yhq h MET 78 Ca -0.31 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1yhq h MET 78 Cb 1.26 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.98 1yhq h MET 78 CO 0.49 -0.34 0.53 -1.35 1.06 0.00 0.00 176.91 177.30 1yhq h PRO 79 N -0.53 0.85 0.00 -0.22 0.11 -1.67 -0.06 132.00 130.49 1yhq h PRO 79 Ca 0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1yhq h PRO 79 Cb 0.56 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1yhq h PRO 79 CO -0.19 0.56 -0.00 1.03 -0.21 0.00 0.00 178.00 179.19 1yhq h SER 80 N 0.88 -0.00 0.77 -2.05 0.87 -1.72 -2.37 113.55 109.92 1yhq h SER 80 Ca 0.35 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1yhq h SER 80 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1yhq h SER 80 CO -0.13 0.10 -0.42 0.00 -0.53 0.00 0.00 176.83 175.85 1yhq h ALA 81 N 0.89 -1.12 -0.44 6.23 0.00 0.35 -1.32 119.26 123.84 1yhq h ALA 81 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1yhq h ALA 81 Cb 0.11 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1yhq h ALA 81 CO 0.00 -1.14 -0.32 -0.92 0.00 0.00 0.00 179.25 176.87 1yhq h TYR 82 N -1.10 -0.88 -0.92 0.00 3.20 -1.09 -1.29 116.97 114.88 1yhq h TYR 82 Ca -0.10 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.88 1yhq h TYR 82 Cb 0.87 0.45 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 1yhq h TYR 82 CO -0.06 -0.38 0.59 -0.07 -1.64 0.00 0.00 178.16 176.60 1yhq h LEU 83 N -0.23 0.94 -1.17 2.82 3.38 -1.35 -1.01 115.31 118.69 1yhq h LEU 83 Ca 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1yhq h LEU 83 Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1yhq h LEU 83 CO -0.56 0.61 0.16 0.74 0.09 0.00 0.00 178.44 179.48 1yhq h THR 84 N 1.08 1.20 -0.18 0.22 2.02 -0.29 0.06 112.91 117.03 1yhq h THR 84 Ca 0.39 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1yhq h THR 84 Cb 0.13 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1yhq h THR 84 CO -0.16 0.26 -0.02 1.23 0.37 0.00 0.00 175.52 177.20 1yhq h GLY 85 N 0.90 0.35 0.88 2.16 0.00 -0.17 -1.50 103.07 105.69 1yhq h GLY 85 Ca 0.17 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1yhq h GLY 85 CO -0.01 0.25 0.49 -2.00 0.00 0.00 0.00 176.54 175.27 1yhq h LEU 86 N 0.05 0.81 0.43 3.11 5.85 -0.87 0.63 115.31 125.32 1yhq h LEU 86 Ca 0.05 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1yhq h LEU 86 Cb 0.43 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1yhq h LEU 86 CO 0.01 0.56 -0.21 0.25 -0.34 0.00 0.00 178.44 178.71 1yhq h LEU 87 N 0.95 -0.49 -1.01 2.25 5.85 -0.89 0.19 115.31 122.15 1yhq h LEU 87 Ca 0.31 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1yhq h LEU 87 Cb 0.01 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1yhq h LEU 87 CO -0.11 -0.29 0.65 0.00 -0.34 0.00 0.00 178.44 178.35 1yhq h ALA 88 N -0.12 1.38 0.06 1.25 0.00 -0.93 -0.47 119.26 120.43 1yhq h ALA 88 Ca -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yhq h ALA 88 Cb 0.49 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yhq h ALA 88 CO 0.10 0.50 -0.03 0.78 0.00 0.00 0.00 179.25 180.59 1yhq h GLY 89 N 1.22 -0.09 0.83 0.00 0.00 0.64 0.68 103.07 106.35 1yhq h GLY 89 Ca 0.42 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.82 1yhq h GLY 89 CO -0.15 -0.04 0.33 1.41 0.00 0.00 0.00 176.54 178.10 1yhq h LEU 90 N -0.09 0.53 -1.46 3.11 3.38 0.01 0.11 115.31 120.90 1yhq h LEU 90 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1yhq h LEU 90 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1yhq h LEU 90 CO 0.01 0.37 0.06 0.03 0.09 0.00 0.00 178.44 179.00 1yhq h ARG 91 N 0.65 0.42 -0.22 1.13 3.08 -0.88 -2.20 114.38 116.37 1yhq h ARG 91 Ca 0.24 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1yhq h ARG 91 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1yhq h ARG 91 CO -0.12 0.40 0.04 0.00 -1.07 0.00 0.00 179.97 179.22 1yhq h ALA 92 N 1.66 0.29 -0.66 0.04 0.00 0.78 -2.54 119.26 118.82 1yhq h ALA 92 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1yhq h ALA 92 Cb 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1yhq h ALA 92 CO -0.00 -0.05 0.34 1.96 0.00 0.00 0.00 179.25 181.50 1yhq h GLN 93 N 0.16 0.59 -0.88 0.00 1.08 -0.53 -1.46 115.11 114.08 1yhq h GLN 93 Ca 0.07 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1yhq h GLN 93 Cb 0.30 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 1yhq h GLN 93 CO 0.00 0.39 0.57 0.93 -0.95 0.00 0.00 178.83 179.78 1yhq h GLU 94 N 0.61 0.95 0.00 1.46 4.39 -1.17 -0.82 114.58 120.00 1yhq h GLU 94 Ca 0.31 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1yhq h GLU 94 Cb 0.27 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1yhq h GLU 94 CO -0.22 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 178.25 1yhq n ALA 95 N -2.40 2.43 -0.27 3.43 0.00 -0.62 -4.86 120.51 118.22 1yhq n ALA 95 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yhq n ALA 95 Cb 0.22 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1yhq n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 96 N 0.68 0.67 3.71 0.00 0.00 -0.31 -5.05 105.19 104.89 1yhq n GLY 96 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1yhq n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhq s VAL 97 N -2.56 3.75 -0.05 1.61 1.01 -0.79 -4.93 120.40 118.44 1yhq s VAL 97 Ca 0.00 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1yhq s VAL 97 Cb 0.00 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1yhq s VAL 97 CO 0.00 0.08 0.07 -0.62 0.00 0.00 0.00 175.10 174.63 1yhq n GLU 98 N 4.23 1.98 -3.89 2.72 1.02 -1.26 -4.00 120.64 121.44 1yhq n GLU 98 Ca 0.11 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 1yhq n GLU 98 Cb 0.45 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.60 1yhq n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1yhq s GLU 99 N -2.29 0.77 0.24 3.49 -1.05 -1.26 -1.71 118.70 116.89 1yhq s GLU 99 Ca -0.03 -0.92 -0.22 0.00 -0.15 0.00 0.00 54.97 53.65 1yhq s GLU 99 Cb 0.03 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1yhq s GLU 99 CO 0.30 -0.23 0.77 0.00 0.95 0.00 0.00 175.26 177.05 1yhq s ALA 100 N -3.55 -1.36 -0.05 -0.84 0.00 -0.76 -3.94 121.76 111.26 1yhq s ALA 100 Ca 0.03 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.92 1yhq s ALA 100 Cb 0.04 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1yhq s ALA 100 CO -0.09 -1.01 -0.25 0.08 0.00 0.00 0.00 175.76 174.48 1yhq s VAL 101 N -3.75 2.04 -0.09 0.00 1.01 -0.21 -3.96 120.40 115.44 1yhq s VAL 101 Ca 0.10 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1yhq s VAL 101 Cb -0.05 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1yhq s VAL 101 CO 0.04 0.57 1.44 -0.22 0.00 0.00 0.00 175.10 176.93 1yhq s LEU 102 N -0.28 4.26 -0.30 3.92 2.96 -1.26 -0.41 118.68 127.57 1yhq s LEU 102 Ca -0.00 1.98 -0.05 0.00 -0.22 0.00 0.00 54.13 55.84 1yhq s LEU 102 Cb -0.13 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1yhq s LEU 102 CO 0.02 -0.82 0.05 -0.62 -1.32 0.00 0.00 176.35 173.66 1yhq s ASP 103 N 2.51 4.97 -0.12 3.68 -1.08 -0.46 -4.88 116.67 121.29 1yhq s ASP 103 Ca 0.64 -0.91 0.16 0.00 -0.52 0.00 0.00 52.55 51.92 1yhq s ASP 103 Cb -0.28 -1.81 0.62 0.00 -1.46 0.00 0.00 42.92 39.99 1yhq s ASP 103 CO 0.22 -0.22 1.54 2.30 0.52 0.00 0.00 175.17 179.54 1yhq n ILE 104 N 4.78 1.90 -0.79 4.11 -5.35 -1.26 -1.37 119.36 121.38 1yhq n ILE 104 Ca -0.14 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.00 1yhq n ILE 104 Cb 0.46 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1yhq n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yhq n GLY 105 N 0.62 2.86 0.96 3.28 0.00 -1.26 -1.56 105.19 110.08 1yhq n GLY 105 Ca 0.23 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1yhq n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yhq n LEU 106 N 0.00 2.73 -4.89 0.99 4.77 -1.26 -4.91 117.00 114.43 1yhq n LEU 106 Ca 0.00 -1.38 -0.30 0.00 -0.03 0.00 0.00 56.01 54.31 1yhq n LEU 106 Cb 0.00 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1yhq n LEU 106 CO 0.00 0.47 0.64 0.20 -1.33 0.00 0.00 177.39 177.37 1yhq s ASN 107 N -0.70 6.06 0.01 -1.43 -0.87 -0.60 -5.06 114.94 112.35 1yhq s ASN 107 Ca 0.27 1.19 -0.13 0.00 -1.57 0.00 0.00 52.86 52.61 1yhq s ASN 107 Cb 0.17 -2.26 -0.06 0.00 -0.02 0.00 0.00 41.25 39.08 1yhq s ASN 107 CO 0.13 -0.88 0.38 -0.44 -2.57 0.00 0.00 177.10 173.72 1yhq s SER 108 N -4.20 6.74 0.00 -1.22 0.01 -1.26 -4.97 113.70 108.80 1yhq s SER 108 Ca 0.53 0.89 -0.02 0.00 1.31 0.00 0.00 55.95 58.67 1yhq s SER 108 Cb -0.11 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.83 1yhq s SER 108 CO 0.51 0.30 1.79 -2.65 0.41 0.00 0.00 173.24 173.60 1yhq n PRO 109 N 1.64 0.91 -2.22 12.44 -0.02 -1.26 -4.91 135.00 141.58 1yhq n PRO 109 Ca -0.13 -0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 60.66 1yhq n PRO 109 Cb 0.53 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1yhq n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1yhq s THR 110 N 1.18 3.33 0.30 3.45 2.01 -1.26 -4.95 115.64 119.69 1yhq s THR 110 Ca 0.18 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 1yhq s THR 110 Cb 0.09 -3.65 -0.12 0.00 0.01 0.00 0.00 72.50 68.82 1yhq s THR 110 CO 0.00 0.11 1.42 -2.65 -0.69 0.00 0.00 174.62 172.81 1yhq n PRO 111 N 3.34 2.28 -0.92 4.92 -0.02 -1.26 -1.68 135.00 141.65 1yhq n PRO 111 Ca 0.09 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1yhq n PRO 111 Cb 0.43 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1yhq n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yhq n GLY 112 N 1.54 0.60 3.41 -1.23 0.00 -0.19 -4.89 105.19 104.43 1yhq n GLY 112 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1yhq n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yhq s SER 113 N -2.45 -0.05 0.13 1.61 0.01 -0.68 -4.50 113.70 107.77 1yhq s SER 113 Ca 0.00 1.04 -0.02 0.00 1.31 0.00 0.00 55.95 58.28 1yhq s SER 113 Cb 0.00 -1.55 -0.12 0.00 0.21 0.00 0.00 66.02 64.57 1yhq s SER 113 CO 0.00 -4.77 1.29 0.11 0.41 0.00 0.00 173.24 170.27 1yhq h LYS 114 N -3.02 0.30 -0.31 12.44 1.57 -1.95 -2.75 116.57 122.86 1yhq h LYS 114 Ca -0.50 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 57.90 1yhq h LYS 114 Cb 1.33 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1yhq h LYS 114 CO 0.38 1.09 0.17 -0.39 -0.57 0.00 0.00 179.45 180.12 1yhq h VAL 115 N 0.15 1.10 0.00 0.50 -1.51 -1.94 0.36 116.25 114.91 1yhq h VAL 115 Ca -0.08 -0.25 -0.18 0.00 -1.23 0.00 0.00 66.70 64.96 1yhq h VAL 115 Cb 1.66 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 1yhq h VAL 115 CO 0.16 0.11 -0.86 -0.26 -1.23 0.00 0.00 177.57 175.49 1yhq h PHE 116 N 0.42 0.02 -0.37 5.19 0.05 -1.91 -1.64 116.94 118.71 1yhq h PHE 116 Ca 0.11 -0.01 -0.06 0.00 3.82 0.00 0.00 57.97 61.83 1yhq h PHE 116 Cb 0.02 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 1yhq h PHE 116 CO 0.00 0.86 -0.01 0.00 -0.18 0.00 0.00 178.31 178.99 1yhq h ALA 117 N 1.13 0.50 -0.63 2.45 0.00 -0.69 0.14 119.26 122.16 1yhq h ALA 117 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1yhq h ALA 117 Cb 1.51 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1yhq h ALA 117 CO 0.11 0.28 0.36 0.82 0.00 0.00 0.00 179.25 180.82 1yhq h ILE 118 N 0.48 1.00 -0.16 0.00 2.04 -0.24 0.12 117.51 120.75 1yhq h ILE 118 Ca 0.10 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1yhq h ILE 118 Cb 0.47 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1yhq h ILE 118 CO 0.02 0.13 0.10 -0.61 0.00 0.00 0.00 178.15 177.79 1yhq h GLN 119 N 0.69 0.21 -0.55 2.37 4.15 -0.77 -1.28 115.11 119.93 1yhq h GLN 119 Ca 0.27 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1yhq h GLN 119 Cb 0.12 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1yhq h GLN 119 CO -0.15 0.14 0.35 1.49 -1.93 0.00 0.00 178.83 178.72 1yhq h GLU 120 N 0.21 0.73 -0.16 1.69 4.81 0.05 -1.15 114.58 120.76 1yhq h GLU 120 Ca 0.06 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1yhq h GLU 120 Cb -0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1yhq h GLU 120 CO -0.01 0.50 0.06 0.78 -0.73 0.00 0.00 179.01 179.60 1yhq h GLY 121 N 0.77 0.27 1.03 1.92 0.00 -0.32 -2.08 103.07 104.65 1yhq h GLY 121 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1yhq h GLY 121 CO -0.04 0.14 0.52 0.00 0.00 0.00 0.00 176.54 177.16 1yhq h ALA 122 N 0.89 1.17 -0.66 3.60 0.00 -0.74 -2.09 119.26 121.42 1yhq h ALA 122 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1yhq h ALA 122 Cb 0.20 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1yhq h ALA 122 CO -0.00 0.66 0.28 0.82 0.00 0.00 0.00 179.25 181.00 1yhq h ILE 123 N 1.27 1.23 0.00 0.00 2.04 -1.05 -2.09 117.51 118.92 1yhq h ILE 123 Ca 0.32 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 1yhq h ILE 123 Cb -0.00 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1yhq h ILE 123 CO -0.06 0.28 -0.45 0.44 0.00 0.00 0.00 178.15 178.37 1yhq h ASP 124 N 0.95 0.00 0.35 1.72 3.32 -0.88 -1.96 116.42 119.92 1yhq h ASP 124 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1yhq h ASP 124 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1yhq h ASP 124 CO -0.02 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 1yhq n ALA 125 N -2.38 1.46 0.00 3.45 0.00 -0.81 -4.80 120.51 117.44 1yhq n ALA 125 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1yhq n ALA 125 Cb 0.51 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1yhq n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 126 N -0.46 0.94 3.72 0.00 0.00 -0.74 -4.60 105.19 104.05 1yhq n GLY 126 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1yhq n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yhq s LEU 127 N 0.00 4.44 -0.46 0.99 1.02 -1.07 -4.97 118.68 118.63 1yhq s LEU 127 Ca 0.00 1.69 -0.25 0.00 0.02 0.00 0.00 54.13 55.59 1yhq s LEU 127 Cb 0.00 -3.53 0.03 0.00 0.02 0.00 0.00 46.19 42.71 1yhq s LEU 127 CO 0.00 -0.13 0.92 -1.81 0.02 0.00 0.00 176.35 175.36 1yhq s ASP 128 N 0.37 6.50 -0.05 2.29 1.01 -0.69 -4.26 116.67 121.83 1yhq s ASP 128 Ca 0.48 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.86 1yhq s ASP 128 Cb -0.22 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1yhq s ASP 128 CO 0.28 -1.05 -0.04 -0.63 0.21 0.00 0.00 175.17 173.95 1yhq s ILE 129 N 3.74 0.53 -0.14 0.77 1.01 -1.26 -1.84 121.20 124.01 1yhq s ILE 129 Ca 0.37 -0.08 -0.34 0.00 0.00 0.00 0.00 60.65 60.61 1yhq s ILE 129 Cb -0.10 -0.59 -0.11 0.00 0.01 0.00 0.00 42.46 41.67 1yhq s ILE 129 CO 0.26 0.24 1.97 -2.65 0.00 0.00 0.00 174.94 174.77 1yhq n PRO 130 N 4.36 2.00 -3.82 2.79 -0.02 -1.25 -4.92 135.00 134.14 1yhq n PRO 130 Ca -0.20 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1yhq n PRO 130 Cb 0.51 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 1yhq n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1yhq n HIS 131 N 7.77 -0.88 -3.48 6.00 1.44 -1.26 -4.73 115.22 120.07 1yhq n HIS 131 Ca 0.26 -2.27 -0.24 0.00 -2.01 0.00 0.00 57.72 53.46 1yhq n HIS 131 Cb 0.30 0.32 -0.13 0.00 0.12 0.00 0.00 29.99 30.61 1yhq n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1yhq s ASN 132 N -2.95 2.66 0.30 4.39 3.84 -1.26 -5.06 114.94 116.87 1yhq s ASN 132 Ca 0.31 -1.01 -0.00 0.00 0.21 0.00 0.00 52.86 52.37 1yhq s ASN 132 Cb 0.01 0.03 0.68 0.00 -0.55 0.00 0.00 41.25 41.42 1yhq s ASN 132 CO 0.22 -0.41 1.58 0.44 -2.79 0.00 0.00 177.10 176.14 1yhq h ASP 133 N 8.35 -0.50 0.00 -4.21 3.32 -2.01 -1.35 116.42 120.02 1yhq h ASP 133 Ca -0.17 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1yhq h ASP 133 Cb 1.05 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1yhq h ASP 133 CO 0.39 -0.33 0.00 -0.90 -1.72 0.00 0.00 179.24 176.68 1yhq n ASP 134 N -5.48 1.74 0.00 6.45 5.68 -1.26 -1.59 116.55 122.10 1yhq n ASP 134 Ca 0.21 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1yhq n ASP 134 Cb 0.70 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1yhq n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1yhq n VAL 135 N 0.24 0.00 -3.50 2.12 3.14 -0.51 -4.96 118.33 114.86 1yhq n VAL 135 Ca 0.00 -0.48 -0.38 0.00 -2.96 0.00 0.00 64.34 60.52 1yhq n VAL 135 Cb 0.34 1.02 -0.06 0.00 -1.06 0.00 0.00 33.84 34.07 1yhq n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1yhq s LEU 136 N -1.09 4.45 0.69 6.55 1.43 -0.62 -1.03 118.68 129.06 1yhq s LEU 136 Ca 0.00 0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 1yhq s LEU 136 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1yhq s LEU 136 CO 0.00 0.30 1.17 0.00 0.23 0.00 0.00 176.35 178.04 1yhq n ALA 137 N 2.02 0.53 -1.82 4.21 0.00 -1.26 -4.64 120.51 119.55 1yhq n ALA 137 Ca -0.14 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.80 1yhq n ALA 137 Cb 0.52 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1yhq n ALA 137 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1yhq s ASP 138 N -1.55 7.27 0.01 0.00 -4.77 -1.26 -4.82 116.67 111.54 1yhq s ASP 138 Ca 0.78 2.23 -0.01 0.00 -3.30 0.00 0.00 52.55 52.26 1yhq s ASP 138 Cb -0.36 -2.62 -0.00 0.00 -1.09 0.00 0.00 42.92 38.84 1yhq s ASP 138 CO 0.45 -0.16 0.09 1.87 0.70 0.00 0.00 175.17 178.11 1yhq n TRP 139 N 1.46 -0.02 -0.29 2.11 -0.00 -1.26 -0.87 117.44 118.58 1yhq n TRP 139 Ca -0.00 0.04 0.06 0.00 -0.00 0.00 0.00 57.50 57.60 1yhq n TRP 139 Cb 0.45 -0.28 0.15 0.00 -0.00 0.00 0.00 31.31 31.63 1yhq n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1yhq h GLN 140 N 0.00 0.04 -0.81 5.87 1.08 -1.99 0.19 115.11 119.49 1yhq h GLN 140 Ca 0.01 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1yhq h GLN 140 Cb 0.01 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 1yhq h GLN 140 CO -0.03 0.03 0.52 -0.09 -0.95 0.00 0.00 178.83 178.30 1yhq h ARG 141 N 0.04 1.08 -0.93 1.46 2.43 -1.37 -0.94 114.38 116.15 1yhq h ARG 141 Ca 0.43 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.56 1yhq h ARG 141 Cb 0.75 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1yhq h ARG 141 CO -0.79 0.73 0.61 1.15 -1.51 0.00 0.00 179.97 180.15 1yhq h THR 142 N 1.10 1.16 -0.07 0.20 2.02 -0.68 0.61 112.91 117.25 1yhq h THR 142 Ca 0.29 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1yhq h THR 142 Cb -0.10 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.18 1yhq h THR 142 CO -0.06 0.22 0.04 0.03 0.37 0.00 0.00 175.52 176.11 1yhq h ARG 143 N 1.18 0.09 0.00 6.66 3.08 0.11 -2.34 114.38 123.16 1yhq h ARG 143 Ca 0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1yhq h ARG 143 Cb -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1yhq h ARG 143 CO -0.12 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 1yhq n GLY 144 N -1.51 1.37 0.38 0.04 0.00 0.21 -4.53 105.19 101.15 1yhq n GLY 144 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1yhq n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq h ALA 145 N 0.00 1.29 -0.18 4.61 0.00 -1.43 -1.62 119.26 121.93 1yhq h ALA 145 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1yhq h ALA 145 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1yhq h ALA 145 CO 0.00 0.66 0.18 1.12 0.00 0.00 0.00 179.25 181.20 1yhq h HIS 146 N 1.35 0.00 0.17 0.00 2.07 -1.81 -1.61 115.15 115.32 1yhq h HIS 146 Ca 0.37 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.56 1yhq h HIS 146 Cb -0.15 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.84 1yhq h HIS 146 CO -0.00 0.00 -1.59 0.97 -3.07 0.00 0.00 177.93 174.24 1yhq h ILE 147 N 0.00 1.11 0.18 6.12 2.10 -1.66 -3.16 117.51 122.20 1yhq h ILE 147 Ca 0.09 -2.68 -0.01 0.00 1.08 0.00 0.00 64.86 63.33 1yhq h ILE 147 Cb 0.44 2.83 0.00 0.00 -1.09 0.00 0.00 36.82 39.00 1yhq h ILE 147 CO -0.00 0.84 -0.09 0.00 -1.08 0.00 0.00 178.15 177.82 1yhq h ALA 148 N 0.29 -0.24 -0.03 0.18 0.00 -1.03 -1.90 119.26 116.53 1yhq h ALA 148 Ca -0.28 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1yhq h ALA 148 Cb 2.08 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1yhq h ALA 148 CO 0.19 -0.56 0.05 0.93 0.00 0.00 0.00 179.25 179.86 1yhq h GLU 149 N -0.39 0.00 -0.03 0.00 5.08 -1.49 -0.03 114.58 117.73 1yhq h GLU 149 Ca -0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 1yhq h GLU 149 Cb 0.30 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.57 1yhq h GLU 149 CO 0.04 0.00 -0.98 -0.92 -1.00 0.00 0.00 179.01 176.15 1yhq h TYR 150 N 0.00 0.98 0.00 4.33 3.20 -1.36 -2.91 116.97 121.21 1yhq h TYR 150 Ca 0.01 -0.51 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1yhq h TYR 150 Cb 0.12 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1yhq h TYR 150 CO 0.00 1.35 0.00 -3.47 -1.64 0.00 0.00 178.16 174.40 1yhq n ASP 151 N -3.85 0.39 -0.05 -2.11 -0.08 -0.11 -1.95 116.55 108.79 1yhq n ASP 151 Ca -0.10 0.57 -0.04 0.00 -1.51 0.00 0.00 54.79 53.72 1yhq n ASP 151 Cb 0.85 -0.67 0.18 0.00 2.34 0.00 0.00 41.12 43.82 1yhq n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1yhq h GLU 152 N 0.00 0.66 -2.00 -0.67 4.57 -1.12 -1.31 114.58 114.71 1yhq h GLU 152 Ca 0.00 -0.21 -0.11 0.00 -1.18 0.00 0.00 59.36 57.87 1yhq h GLU 152 Cb 0.42 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1yhq h GLU 152 CO 0.00 0.76 -0.22 1.04 -1.18 0.00 0.00 179.01 179.41 1yhq n GLN 153 N -4.18 1.56 0.00 1.92 6.02 -0.82 -4.80 117.38 117.08 1yhq n GLN 153 Ca 0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 1yhq n GLN 153 Cb 0.35 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1yhq n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1yhq n LEU 154 N 2.07 0.00 0.00 1.08 7.94 -0.50 -4.75 117.00 122.85 1yhq n LEU 154 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1yhq n LEU 154 Cb 0.74 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.69 1yhq n LEU 154 CO 0.07 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.56 1yhq n GLU 155 N 0.00 0.00 -3.37 1.96 2.13 -1.26 -4.82 120.64 115.27 1yhq n GLU 155 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1yhq n GLU 155 Cb 0.00 -0.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.19 1yhq n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1yhq s GLU 156 N -0.17 0.55 -0.12 5.31 2.02 -1.26 -5.14 118.70 119.88 1yhq s GLU 156 Ca 0.00 1.16 -0.40 0.00 0.02 0.00 0.00 54.97 55.75 1yhq s GLU 156 Cb 0.00 0.68 -0.18 0.00 0.10 0.00 0.00 34.13 34.72 1yhq s GLU 156 CO 0.00 -0.41 1.37 -2.30 0.02 0.00 0.00 175.26 173.95 1yhq n PRO 157 N 5.42 0.53 -0.15 0.39 -0.02 -1.26 -4.86 135.00 135.04 1yhq n PRO 157 Ca -0.06 0.19 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1yhq n PRO 157 Cb 0.50 -1.76 0.06 0.00 -0.02 0.00 0.00 33.50 32.28 1yhq n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1yhq h LEU 158 N 4.58 0.09 -9.54 2.45 5.85 -1.90 -3.40 115.31 113.42 1yhq h LEU 158 Ca -0.48 0.07 -0.56 0.00 0.84 0.00 0.00 57.88 57.75 1yhq h LEU 158 Cb 1.37 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 1yhq h LEU 158 CO 0.81 0.08 0.03 -0.31 -0.34 0.00 0.00 178.44 178.71 1yhq s TYR 159 N -6.14 3.71 0.00 1.25 2.02 -1.26 -5.01 117.35 111.92 1yhq s TYR 159 Ca -0.13 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.85 1yhq s TYR 159 Cb 0.15 -2.66 0.00 0.00 -0.40 0.00 0.00 41.96 39.05 1yhq s TYR 159 CO 0.73 0.35 0.54 0.45 -1.57 0.00 0.00 175.55 176.05 1yhq n SER 160 N 2.64 0.00 -4.42 2.29 2.88 -1.26 -4.76 113.62 110.99 1yhq n SER 160 Ca -0.06 0.70 -0.30 0.00 -1.33 0.00 0.00 58.87 57.88 1yhq n SER 160 Cb 0.51 -0.40 0.21 0.00 -0.75 0.00 0.00 64.21 63.78 1yhq n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yhq n GLY 161 N 0.29 -2.02 3.31 0.46 0.00 -1.26 -4.90 105.19 101.06 1yhq n GLY 161 Ca 0.00 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.60 1yhq n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yhq s ASP 162 N -2.20 6.45 -0.15 1.61 -1.08 -1.26 -4.67 116.67 115.36 1yhq s ASP 162 Ca 0.63 -2.36 0.17 0.00 -0.52 0.00 0.00 52.55 50.47 1yhq s ASP 162 Cb -0.20 -2.18 -0.25 0.00 -1.46 0.00 0.00 42.92 38.83 1yhq s ASP 162 CO 0.65 -0.67 0.24 0.33 0.52 0.00 0.00 175.17 176.25 1yhq n PHE 163 N 4.42 0.25 0.00 -5.34 7.35 -1.26 -5.04 117.46 117.84 1yhq n PHE 163 Ca 0.03 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 1yhq n PHE 163 Cb 0.44 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.24 1yhq n PHE 163 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1yhq n ASP 164 N -2.80 0.00 0.03 -2.13 5.68 -1.26 -4.96 116.55 111.11 1yhq n ASP 164 Ca -0.27 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.00 1yhq n ASP 164 Cb 1.10 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 41.07 1yhq n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yhq h ALA 165 N 0.00 -0.22 -0.16 2.12 0.00 -1.96 -3.36 119.26 115.68 1yhq h ALA 165 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yhq h ALA 165 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yhq h ALA 165 CO 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1yhq n ALA 166 N -2.30 2.50 -1.40 0.00 0.00 -1.26 -4.51 120.51 113.54 1yhq n ALA 166 Ca -0.01 -0.34 0.18 0.00 0.00 0.00 0.00 53.44 53.27 1yhq n ALA 166 Cb 0.04 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1yhq n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yhq n ASP 167 N -0.03 -8.23 -3.53 0.00 8.00 -1.26 -4.69 116.55 106.82 1yhq n ASP 167 Ca 0.09 0.91 -0.19 0.00 0.71 0.00 0.00 54.79 56.31 1yhq n ASP 167 Cb 0.18 -4.49 -0.14 0.00 -0.02 0.00 0.00 41.12 36.66 1yhq n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yhq s LEU 168 N -6.95 -0.05 0.11 0.64 1.43 -1.26 -4.93 118.68 107.66 1yhq s LEU 168 Ca 0.00 -0.20 0.26 0.00 -1.03 0.00 0.00 54.13 53.16 1yhq s LEU 168 Cb 0.00 0.30 0.98 0.00 0.03 0.00 0.00 46.19 47.51 1yhq s LEU 168 CO 0.00 -0.32 1.81 -2.65 0.23 0.00 0.00 176.35 175.42 1yhq n PRO 169 N 5.32 0.13 0.12 1.29 -0.02 -1.26 -2.31 135.00 138.27 1yhq n PRO 169 Ca -0.06 0.15 -0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1yhq n PRO 169 Cb 0.49 -1.66 0.28 0.00 -0.02 0.00 0.00 33.50 32.59 1yhq n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1yhq h GLU 170 N 0.00 0.16 -0.23 -0.52 3.07 -1.92 -1.61 114.58 113.53 1yhq h GLU 170 Ca 0.00 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.72 1yhq h GLU 170 Cb 0.57 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1yhq h GLU 170 CO 0.00 0.52 -0.17 1.25 -1.40 0.00 0.00 179.01 179.21 1yhq h HIS 171 N 0.14 0.43 -0.27 4.33 2.76 -1.85 -1.73 115.15 118.95 1yhq h HIS 171 Ca 0.01 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1yhq h HIS 171 Cb 0.73 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1yhq h HIS 171 CO 0.01 0.55 0.16 0.35 -1.30 0.00 0.00 177.93 177.70 1yhq h PHE 172 N 0.36 0.36 -0.65 5.26 3.57 -1.40 -1.82 116.94 122.61 1yhq h PHE 172 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1yhq h PHE 172 Cb 0.51 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1yhq h PHE 172 CO 0.01 0.27 0.41 -0.44 -2.23 0.00 0.00 178.31 176.33 1yhq h ASP 173 N 0.34 0.69 -0.02 0.41 3.32 -1.04 -0.78 116.42 119.34 1yhq h ASP 173 Ca 0.10 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1yhq h ASP 173 Cb 0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1yhq h ASP 173 CO -0.02 0.48 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.64 1yhq h GLU 174 N 0.82 -0.02 -0.27 3.56 5.08 -1.04 0.19 114.58 122.90 1yhq h GLU 174 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1yhq h GLU 174 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1yhq h GLU 174 CO -0.09 -0.01 0.14 1.25 -1.00 0.00 0.00 179.01 179.30 1yhq h LEU 175 N -0.02 0.35 0.21 1.33 5.85 -1.06 0.39 115.31 122.37 1yhq h LEU 175 Ca 0.02 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1yhq h LEU 175 Cb 0.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1yhq h LEU 175 CO -0.04 0.36 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.23 1yhq h ARG 176 N 0.32 -0.28 -1.01 1.25 2.43 -1.01 -1.17 114.38 114.91 1yhq h ARG 176 Ca 0.10 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.52 1yhq h ARG 176 Cb 0.09 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.59 1yhq h ARG 176 CO -0.01 -0.18 0.62 1.49 -1.51 0.00 0.00 179.97 180.38 1yhq h GLU 177 N -0.30 0.55 -0.47 0.20 4.57 -0.44 0.75 114.58 119.44 1yhq h GLU 177 Ca -0.03 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 1yhq h GLU 177 Cb 0.23 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1yhq h GLU 177 CO 0.05 0.36 -0.13 1.15 -1.18 0.00 0.00 179.01 179.26 1yhq h THR 178 N 0.57 1.26 -0.02 0.32 2.02 -0.08 -3.14 112.91 113.85 1yhq h THR 178 Ca 0.62 -1.24 -0.15 0.00 0.77 0.00 0.00 66.41 66.41 1yhq h THR 178 Cb 1.23 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1yhq h THR 178 CO -0.41 0.43 -0.58 -0.07 0.37 0.00 0.00 175.52 175.26 1yhq h LEU 179 N 0.78 0.54 -1.01 2.58 3.38 0.27 -3.15 115.31 118.70 1yhq h LEU 179 Ca 0.12 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1yhq h LEU 179 Cb 0.65 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1yhq h LEU 179 CO 0.05 1.21 0.00 0.18 0.09 0.00 0.00 178.44 179.96 1yhq n LEU 180 N -4.22 0.48 -4.74 1.67 4.32 -0.43 -4.65 117.00 109.42 1yhq n LEU 180 Ca -0.10 0.69 -0.41 0.00 -0.02 0.00 0.00 56.01 56.17 1yhq n LEU 180 Cb 0.66 -0.72 -0.03 0.00 -1.62 0.00 0.00 43.42 41.71 1yhq n LEU 180 CO 0.46 -0.77 0.93 -0.62 -1.22 0.00 0.00 177.39 176.17 1yhq s ASP 181 N -3.89 6.99 0.13 -1.43 -1.08 -1.19 -4.96 116.67 111.24 1yhq s ASP 181 Ca -0.00 2.36 -0.21 0.00 -0.52 0.00 0.00 52.55 54.18 1yhq s ASP 181 Cb 0.06 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 1yhq s ASP 181 CO 0.22 -0.43 1.68 1.23 0.52 0.00 0.00 175.17 178.39 1yhq h GLY 182 N 4.92 0.04 0.00 2.66 0.00 -1.88 -3.35 103.07 105.46 1yhq h GLY 182 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1yhq h GLY 182 CO 0.74 -0.12 0.00 1.22 0.00 0.00 0.00 176.54 178.38 1yhq n ASP 183 N -5.25 0.00 -0.15 0.19 8.00 -1.26 -4.92 116.55 113.16 1yhq n ASP 183 Ca -0.02 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1yhq n ASP 183 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1yhq n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhq n ILE 184 N -0.22 0.00 -2.59 0.53 3.06 -1.26 -4.75 119.36 114.13 1yhq n ILE 184 Ca 0.00 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 1yhq n ILE 184 Cb 0.00 -0.03 -0.03 0.00 0.54 0.00 0.00 39.64 40.12 1yhq n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1yhq s GLU 185 N -0.04 3.40 0.00 9.51 2.02 -1.26 -5.14 118.70 127.19 1yhq s GLU 185 Ca 0.00 0.06 0.31 0.00 0.02 0.00 0.00 54.97 55.35 1yhq s GLU 185 Cb 0.00 -4.07 1.59 0.00 0.10 0.00 0.00 34.13 31.75 1yhq s GLU 185 CO 0.00 -1.81 2.05 1.28 0.02 0.00 0.00 175.26 176.80