#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hby n ASN 3 N 0.00 1.15 0.15 -1.12 5.15 -1.26 -4.75 115.26 114.58 1hby n ASN 3 Ca 0.00 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 1hby n ASN 3 Cb 0.00 -0.32 0.23 0.00 -0.53 0.00 0.00 39.78 39.16 1hby n ASN 3 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1hby h SER 4 N 0.13 0.00 -0.22 1.20 4.64 -2.03 -1.57 113.55 115.71 1hby h SER 4 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1hby h SER 4 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1hby h SER 4 CO 0.01 0.54 -0.27 0.03 -0.87 0.00 0.00 176.83 176.27 1hby h ARG 5 N 0.00 0.70 -0.35 4.77 3.08 -1.95 -1.07 114.38 119.56 1hby h ARG 5 Ca -0.01 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 1hby h ARG 5 Cb 0.96 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1hby h ARG 5 CO 0.07 0.89 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.71 1hby h TYR 6 N 0.60 0.90 0.00 3.04 3.20 -1.68 -1.72 116.97 121.32 1hby h TYR 6 Ca 0.08 -0.24 -0.08 0.00 3.14 0.00 0.00 58.73 61.63 1hby h TYR 6 Cb 0.76 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1hby h TYR 6 CO 0.04 1.00 -0.38 1.79 -1.64 0.00 0.00 178.16 178.97 1hby h THR 7 N 0.55 1.03 -0.19 1.81 1.35 -1.13 -1.89 112.91 114.45 1hby h THR 7 Ca 0.07 -1.41 -0.16 0.00 -0.55 0.00 0.00 66.41 64.36 1hby h THR 7 Cb 0.79 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1hby h THR 7 CO 0.06 0.37 -0.55 0.45 -0.25 0.00 0.00 175.52 175.61 1hby h HIS 8 N 0.00 0.71 -0.52 4.73 3.86 -1.04 -1.05 115.15 121.84 1hby h HIS 8 Ca -0.00 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1hby h HIS 8 Cb 0.79 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1hby h HIS 8 CO 0.00 0.99 0.28 0.35 0.86 0.00 0.00 177.93 180.40 1hby h PHE 9 N 0.44 0.71 -0.52 2.45 3.57 -0.80 -0.07 116.94 122.73 1hby h PHE 9 Ca 0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1hby h PHE 9 Cb 1.09 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1hby h PHE 9 CO 0.05 0.53 0.09 -0.07 -2.23 0.00 0.00 178.31 176.68 1hby h LEU 10 N 0.69 0.82 -0.59 0.59 3.38 -1.18 0.31 115.31 119.33 1hby h LEU 10 Ca 0.18 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1hby h LEU 10 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1hby h LEU 10 CO -0.03 0.87 0.38 0.74 0.09 0.00 0.00 178.44 180.49 1hby h THR 11 N 0.73 1.14 0.00 0.22 2.02 -0.82 -0.05 112.91 116.14 1hby h THR 11 Ca 0.16 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1hby h THR 11 Cb 0.39 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1hby h THR 11 CO 0.01 0.14 -0.73 1.56 0.37 0.00 0.00 175.52 176.88 1hby h GLN 12 N 0.78 0.00 0.00 6.66 4.20 -0.82 -3.41 115.11 122.52 1hby h GLN 12 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1hby h GLN 12 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1hby h GLN 12 CO -0.06 0.23 0.00 0.72 -0.67 0.00 0.00 178.83 179.05 1hby n HIS 13 N -2.99 0.00 -4.54 2.96 8.25 0.11 -4.73 115.22 114.28 1hby n HIS 13 Ca -0.01 -0.17 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 1hby n HIS 13 Cb 0.67 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.60 1hby n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1hby s TYR 14 N -0.33 1.70 -0.28 4.41 5.04 -0.04 0.47 117.35 128.32 1hby s TYR 14 Ca 0.00 -0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 53.88 1hby s TYR 14 Cb 0.00 -1.24 0.11 0.00 0.35 0.00 0.00 41.96 41.17 1hby s TYR 14 CO 0.00 -0.37 0.16 0.34 -1.34 0.00 0.00 175.55 174.34 1hby s ASP 15 N 0.83 3.06 0.07 4.32 2.15 -0.48 -4.77 116.67 121.85 1hby s ASP 15 Ca -0.11 -1.13 -0.17 0.00 0.43 0.00 0.00 52.55 51.57 1hby s ASP 15 Cb -0.15 -0.15 -0.06 0.00 -0.30 0.00 0.00 42.92 42.25 1hby s ASP 15 CO 0.02 -0.42 1.29 0.00 -0.17 0.00 0.00 175.17 175.88 1hby h ALA 16 N 8.38 -0.58 -3.39 3.66 0.00 -1.79 -3.37 119.26 122.17 1hby h ALA 16 Ca -0.18 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.10 1hby h ALA 16 Cb 1.03 0.90 -0.40 0.00 0.00 0.00 0.00 17.79 19.32 1hby h ALA 16 CO 0.41 -0.71 -0.73 0.21 0.00 0.00 0.00 179.25 178.43 1hby s LYS 17 N -4.38 1.16 0.11 0.00 2.47 -1.26 -2.13 119.74 115.71 1hby s LYS 17 Ca -0.08 -1.58 -0.34 0.00 -1.56 0.00 0.00 55.97 52.41 1hby s LYS 17 Cb 0.04 -2.62 -0.14 0.00 -1.46 0.00 0.00 37.83 33.65 1hby s LYS 17 CO 0.32 -0.99 1.56 -1.35 0.16 0.00 0.00 175.35 175.05 1hby h PRO 18 N 7.69 -0.70 0.00 4.03 0.11 -1.99 -3.50 132.00 137.63 1hby h PRO 18 Ca -0.08 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1hby h PRO 18 Cb 1.00 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hby h PRO 18 CO 0.51 -0.47 0.00 1.04 -0.21 0.00 0.00 178.00 178.87 1hby n GLN 19 N -5.48 0.00 -1.61 1.05 6.02 -1.26 -4.81 117.38 111.28 1hby n GLN 19 Ca -0.08 0.00 -0.59 0.00 -0.01 0.00 0.00 57.00 56.32 1hby n GLN 19 Cb 0.41 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.59 1hby n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hby n GLY 20 N 0.00 0.21 2.79 1.08 0.00 -1.26 -4.82 105.19 103.20 1hby n GLY 20 Ca 0.00 0.83 -0.36 0.00 0.00 0.00 0.00 46.02 46.49 1hby n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hby n ARG 21 N 2.97 3.00 -3.09 1.61 1.74 -1.26 -4.60 116.66 117.03 1hby n ARG 21 Ca 0.23 -3.83 -0.20 0.00 -0.77 0.00 0.00 57.85 53.28 1hby n ARG 21 Cb 0.09 -2.27 0.06 0.00 -1.02 0.00 0.00 32.46 29.32 1hby n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1hby n ASP 22 N -0.51 2.21 -0.21 0.55 3.85 -1.26 -4.70 116.55 116.48 1hby n ASP 22 Ca 0.50 -2.60 0.00 0.00 -0.71 0.00 0.00 54.79 51.98 1hby n ASP 22 Cb 0.35 -0.39 0.08 0.00 -1.35 0.00 0.00 41.12 39.80 1hby n ASP 22 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1hby h ASP 23 N 0.15 -0.48 0.16 -1.12 3.32 -1.87 0.21 116.42 116.80 1hby h ASP 23 Ca -0.28 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1hby h ASP 23 Cb 1.27 0.35 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 1hby h ASP 23 CO 0.41 -0.18 -0.10 0.03 -1.72 0.00 0.00 179.24 177.68 1hby h ARG 24 N 0.04 0.00 -0.33 3.56 3.08 -1.95 -1.09 114.38 117.68 1hby h ARG 24 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1hby h ARG 24 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1hby h ARG 24 CO -0.61 0.10 0.09 -0.92 -1.07 0.00 0.00 179.97 177.57 1hby h TYR 25 N 0.00 0.54 -0.29 3.04 3.20 -0.85 -2.16 116.97 120.45 1hby h TYR 25 Ca -0.00 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.84 1hby h TYR 25 Cb 0.21 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1hby h TYR 25 CO 0.00 0.54 0.11 0.00 -1.64 0.00 0.00 178.16 177.18 1hby h GLU 27 N 0.25 1.22 0.17 0.00 5.08 -1.30 -1.20 114.58 118.79 1hby h GLU 27 Ca 0.12 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1hby h GLU 27 Cb 0.08 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1hby h GLU 27 CO -0.11 0.83 -0.08 1.03 -1.00 0.00 0.00 179.01 179.68 1hby h SER 28 N 1.25 -0.19 -0.35 1.42 0.87 -1.00 -2.99 113.55 112.56 1hby h SER 28 Ca 0.33 -0.34 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1hby h SER 28 Cb -0.09 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1hby h SER 28 CO -0.07 0.29 0.05 -0.29 -0.53 0.00 0.00 176.83 176.29 1hby h ILE 29 N -0.74 1.21 -0.74 2.23 6.09 -1.09 -0.19 117.51 124.28 1hby h ILE 29 Ca -0.02 -0.83 -0.06 0.00 -1.37 0.00 0.00 64.86 62.58 1hby h ILE 29 Cb 0.51 0.83 -0.03 0.00 0.47 0.00 0.00 36.82 38.61 1hby h ILE 29 CO 0.04 0.29 0.24 0.24 -3.07 0.00 0.00 178.15 175.89 1hby h MET 30 N 0.65 1.15 -0.15 2.19 2.86 -1.30 0.68 114.93 121.01 1hby h MET 30 Ca 0.14 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1hby h MET 30 Cb 0.33 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1hby h MET 30 CO 0.01 0.97 -0.15 -0.09 1.06 0.00 0.00 176.91 178.71 1hby h ARG 31 N 1.10 0.36 -0.72 1.72 2.43 -1.30 -0.19 114.38 117.78 1hby h ARG 31 Ca 0.24 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1hby h ARG 31 Cb 0.30 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1hby h ARG 31 CO -0.01 0.74 0.47 -0.09 -1.51 0.00 0.00 179.97 179.58 1hby h ARG 32 N -0.01 0.76 -0.55 0.20 2.43 -0.76 -1.74 114.38 114.70 1hby h ARG 32 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1hby h ARG 32 Cb 0.67 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1hby h ARG 32 CO 0.04 0.50 0.00 0.54 -1.51 0.00 0.00 179.97 179.54 1hby n ARG 33 N -4.47 2.47 -3.00 0.20 5.12 0.21 -4.94 116.66 112.25 1hby n ARG 33 Ca 0.10 -1.91 -0.19 0.00 -1.93 0.00 0.00 57.85 53.92 1hby n ARG 33 Cb 0.20 -1.52 0.04 0.00 -1.16 0.00 0.00 32.46 30.02 1hby n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hby n GLY 34 N 1.15 -0.33 1.86 -0.13 0.00 -0.65 -4.86 105.19 102.23 1hby n GLY 34 Ca 0.18 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1hby n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hby n LEU 35 N -3.60 5.70 -0.15 0.99 4.32 -0.10 -4.59 117.00 119.57 1hby n LEU 35 Ca -0.08 -4.17 0.08 0.00 -0.02 0.00 0.00 56.01 51.82 1hby n LEU 35 Cb 0.59 -0.68 0.12 0.00 -1.62 0.00 0.00 43.42 41.83 1hby n LEU 35 CO 0.43 1.53 0.52 0.35 -1.22 0.00 0.00 177.39 178.99 1hby n THR 36 N -0.96 1.60 -3.14 -5.08 -2.24 -1.25 -2.34 114.28 100.86 1hby n THR 36 Ca 0.48 -1.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.21 1hby n THR 36 Cb 0.99 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1hby n THR 36 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1hby s SER 37 N -2.60 -0.08 0.84 3.42 0.01 -1.26 -3.74 113.70 110.29 1hby s SER 37 Ca 0.27 -1.84 -0.12 0.00 1.31 0.00 0.00 55.95 55.56 1hby s SER 37 Cb 0.24 1.01 0.10 0.00 0.21 0.00 0.00 66.02 67.58 1hby s SER 37 CO 0.02 -0.15 1.17 -2.16 0.41 0.00 0.00 173.24 172.53 1hby s PRO 38 N 1.00 1.70 0.13 12.44 0.04 -1.26 -5.09 135.00 143.95 1hby s PRO 38 Ca 0.25 0.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.12 1hby s PRO 38 Cb -0.04 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1hby s PRO 38 CO -0.08 -1.79 1.46 0.00 0.04 0.00 0.00 177.00 176.63 1hby s LYS 40 N 1.19 4.49 0.17 0.00 2.20 -0.99 -4.90 119.74 121.90 1hby s LYS 40 Ca 0.67 1.90 -0.15 0.00 -0.36 0.00 0.00 55.97 58.03 1hby s LYS 40 Cb -0.39 -3.23 0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1hby s LYS 40 CO 0.30 -0.08 1.83 0.22 -0.36 0.00 0.00 175.35 177.26 1hby h ASP 41 N 5.10 0.56 -3.79 1.43 1.82 -1.93 -3.41 116.42 116.20 1hby h ASP 41 Ca -0.45 -0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.05 1hby h ASP 41 Cb 1.21 -0.14 -0.25 0.00 0.68 0.00 0.00 39.33 40.84 1hby h ASP 41 CO 0.74 0.41 -0.27 -0.51 -1.61 0.00 0.00 179.24 177.99 1hby s ILE 42 N -6.15 -0.00 -0.17 2.25 2.07 -1.26 -0.79 121.20 117.14 1hby s ILE 42 Ca -0.13 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 58.99 1hby s ILE 42 Cb 0.12 -0.54 0.05 0.00 0.13 0.00 0.00 42.46 42.22 1hby s ILE 42 CO 0.74 0.01 0.44 0.21 -1.91 0.00 0.00 174.94 174.43 1hby s ASN 43 N 0.35 -0.51 -0.07 4.50 2.47 -0.55 -4.99 114.94 116.14 1hby s ASN 43 Ca -0.01 0.93 0.02 0.00 0.42 0.00 0.00 52.86 54.21 1hby s ASN 43 Cb -0.03 0.88 -0.03 0.00 -1.45 0.00 0.00 41.25 40.62 1hby s ASN 43 CO -0.01 -0.17 -0.11 -0.89 -3.72 0.00 0.00 177.10 172.20 1hby s THR 44 N 0.76 3.36 -0.09 -5.21 2.01 -1.26 -0.12 115.64 115.09 1hby s THR 44 Ca -0.04 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1hby s THR 44 Cb -0.05 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1hby s THR 44 CO -0.06 0.58 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.98 1hby s PHE 45 N -0.54 2.81 -0.01 4.92 0.08 -0.15 -4.45 117.98 120.63 1hby s PHE 45 Ca 0.08 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 56.71 1hby s PHE 45 Cb -0.12 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1hby s PHE 45 CO 0.02 0.03 0.29 0.42 -0.10 0.00 0.00 175.22 175.88 1hby s ILE 46 N -0.21 5.26 0.33 0.64 1.01 0.18 -1.21 121.20 127.19 1hby s ILE 46 Ca 0.01 0.37 0.09 0.00 0.00 0.00 0.00 60.65 61.12 1hby s ILE 46 Cb -0.13 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1hby s ILE 46 CO 0.03 0.46 0.04 -1.00 0.00 0.00 0.00 174.94 174.47 1hby s HIS 47 N -1.20 2.60 0.00 3.97 3.76 -0.27 -1.38 115.29 122.77 1hby s HIS 47 Ca 0.24 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 1hby s HIS 47 Cb -0.14 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1hby s HIS 47 CO 0.13 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.89 1hby n GLY 48 N -0.99 -0.78 3.77 -2.22 0.00 -0.90 -4.42 105.19 99.64 1hby n GLY 48 Ca -0.04 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 1hby n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hby s ASN 49 N -4.00 7.24 0.47 1.61 2.20 -1.26 -4.41 114.94 116.79 1hby s ASN 49 Ca 0.00 1.47 0.12 0.00 -0.94 0.00 0.00 52.86 53.51 1hby s ASN 49 Cb 0.00 -2.45 1.07 0.00 -2.00 0.00 0.00 41.25 37.87 1hby s ASN 49 CO 0.00 0.16 2.09 0.50 -2.94 0.00 0.00 177.10 176.91 1hby h LYS 50 N 4.86 0.22 -0.76 3.55 3.64 -1.99 -3.04 116.57 123.04 1hby h LYS 50 Ca -0.46 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1hby h LYS 50 Cb 1.21 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1hby h LYS 50 CO 0.67 0.17 0.47 0.07 -2.27 0.00 0.00 179.45 178.56 1hby h ARG 51 N 0.22 0.86 -0.25 1.90 0.11 -1.99 -1.42 114.38 113.80 1hby h ARG 51 Ca 0.06 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 1hby h ARG 51 Cb 0.02 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 30.89 1hby h ARG 51 CO -0.01 0.57 -0.16 0.66 0.10 0.00 0.00 179.97 181.13 1hby h SER 52 N 0.89 0.43 -0.18 0.08 4.64 -1.96 -1.03 113.55 116.42 1hby h SER 52 Ca 0.32 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1hby h SER 52 Cb 0.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1hby h SER 52 CO -0.14 0.62 -0.07 0.40 -0.87 0.00 0.00 176.83 176.77 1hby h ILE 53 N 0.40 1.30 -0.87 0.95 2.04 -1.51 -3.03 117.51 116.79 1hby h ILE 53 Ca 0.07 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1hby h ILE 53 Cb 0.52 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1hby h ILE 53 CO 0.03 0.32 0.54 0.11 0.00 0.00 0.00 178.15 179.16 1hby h LYS 54 N 0.07 1.16 0.00 2.37 1.57 -1.00 -2.37 116.57 118.37 1hby h LYS 54 Ca 0.04 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1hby h LYS 54 Cb 0.53 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1hby h LYS 54 CO 0.02 0.80 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1hby h ALA 55 N 1.41 1.00 0.00 3.86 0.00 -1.07 -2.12 119.26 122.33 1hby h ALA 55 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1hby h ALA 55 Cb -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1hby h ALA 55 CO -0.06 0.00 -0.02 0.82 0.00 0.00 0.00 179.25 179.98 1hby h ILE 56 N 0.00 0.44 0.00 0.00 2.04 -1.39 -0.75 117.51 117.84 1hby h ILE 56 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1hby h ILE 56 Cb 0.06 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1hby h ILE 56 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.17 1hby s GLU 58 N -2.80 2.26 0.00 0.00 2.02 -0.31 -4.93 118.70 114.95 1hby s GLU 58 Ca 0.20 -1.89 0.18 0.00 0.02 0.00 0.00 54.97 53.48 1hby s GLU 58 Cb 0.19 -2.01 0.80 0.00 0.10 0.00 0.00 34.13 33.21 1hby s GLU 58 CO 0.49 -0.25 1.57 0.09 0.02 0.00 0.00 175.26 177.18 1hby n ASN 59 N -1.38 0.00 -0.03 -0.19 5.03 -1.26 -2.13 115.26 115.30 1hby n ASN 59 Ca -0.02 0.40 -0.01 0.00 0.87 0.00 0.00 54.58 55.81 1hby n ASN 59 Cb 0.64 -0.45 0.25 0.00 -1.02 0.00 0.00 39.78 39.20 1hby n ASN 59 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1hby h LYS 60 N 0.00 0.59 0.00 3.52 1.57 -1.93 -3.35 116.57 116.96 1hby h LYS 60 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1hby h LYS 60 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hby h LYS 60 CO 0.00 0.62 -0.43 -1.71 -0.57 0.00 0.00 179.45 177.37 1hby n ASN 61 N -4.25 0.00 -3.98 0.86 5.15 -1.08 -4.94 115.26 107.02 1hby n ASN 61 Ca 0.02 -1.85 -0.09 0.00 -0.60 0.00 0.00 54.58 52.06 1hby n ASN 61 Cb 0.27 -0.17 -0.10 0.00 -0.53 0.00 0.00 39.78 39.26 1hby n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1hby s GLY 62 N -0.85 0.26 0.03 8.20 0.00 -0.90 -0.54 107.32 113.52 1hby s GLY 62 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1hby s GLY 62 CO 0.00 -0.88 -0.14 -1.31 0.00 0.00 0.00 173.10 170.78 1hby s ASN 63 N -2.31 1.60 0.65 1.64 0.02 0.14 -4.56 114.94 112.12 1hby s ASN 63 Ca -0.02 -0.43 -0.18 0.00 -1.02 0.00 0.00 52.86 51.21 1hby s ASN 63 Cb 0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 41.25 41.16 1hby s ASN 63 CO -0.06 0.03 1.16 -2.65 0.02 0.00 0.00 177.10 175.61 1hby n PRO 64 N 1.97 0.93 -3.74 -0.60 -0.02 -1.26 -0.86 135.00 131.43 1hby n PRO 64 Ca -0.18 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1hby n PRO 64 Cb 0.55 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 1hby n PRO 64 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1hby s HIS 65 N -1.50 -0.22 0.00 6.00 2.46 0.13 -4.60 115.29 117.56 1hby s HIS 65 Ca 0.80 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.92 1hby s HIS 65 Cb -0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.02 1hby s HIS 65 CO 0.43 -0.20 0.00 0.54 -2.47 0.00 0.00 174.74 173.05 1hby n ARG 66 N 4.29 0.00 0.11 2.88 5.12 -1.26 -1.04 116.66 126.76 1hby n ARG 66 Ca -0.25 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.62 1hby n ARG 66 Cb 0.52 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.79 1hby n ARG 66 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1hby h GLU 67 N 0.00 -0.35 0.00 5.56 3.07 -2.04 -3.42 114.58 117.40 1hby h GLU 67 Ca 0.00 0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 1hby h GLU 67 Cb 0.00 0.08 -0.23 0.00 -0.84 0.00 0.00 28.75 27.76 1hby h GLU 67 CO 0.00 -0.23 -0.80 0.27 -1.40 0.00 0.00 179.01 176.85 1hby n ASN 68 N -4.49 1.22 -4.82 1.42 0.23 -1.24 -5.10 115.26 102.48 1hby n ASN 68 Ca -0.04 -2.65 -0.28 0.00 -0.53 0.00 0.00 54.58 51.07 1hby n ASN 68 Cb 0.14 -0.37 -0.04 0.00 -2.08 0.00 0.00 39.78 37.42 1hby n ASN 68 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1hby s LEU 69 N -1.14 2.64 0.02 -4.53 1.43 -0.21 -4.67 118.68 112.23 1hby s LEU 69 Ca 0.33 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 1hby s LEU 69 Cb 0.36 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1hby s LEU 69 CO -0.12 -0.90 -0.11 -0.13 0.23 0.00 0.00 176.35 175.32 1hby s ARG 70 N -4.06 0.76 -0.08 1.70 1.81 0.68 0.22 118.95 119.98 1hby s ARG 70 Ca 0.25 -0.59 0.05 0.00 -1.72 0.00 0.00 55.73 53.73 1hby s ARG 70 Cb 0.00 -0.71 -0.01 0.00 -0.45 0.00 0.00 34.95 33.79 1hby s ARG 70 CO 0.15 0.18 -0.24 -1.50 -0.68 0.00 0.00 175.30 173.21 1hby s ILE 71 N -0.71 2.13 0.49 1.52 2.07 -0.04 -0.69 121.20 125.97 1hby s ILE 71 Ca -0.00 -1.02 -0.22 0.00 -1.41 0.00 0.00 60.65 58.00 1hby s ILE 71 Cb -0.07 -1.79 -0.07 0.00 0.13 0.00 0.00 42.46 40.66 1hby s ILE 71 CO 0.01 0.57 1.14 -0.94 -1.91 0.00 0.00 174.94 173.80 1hby s SER 72 N 0.03 6.06 -0.00 4.50 1.04 -0.30 -0.68 113.70 124.35 1hby s SER 72 Ca -0.09 2.23 -0.19 0.00 0.48 0.00 0.00 55.95 58.38 1hby s SER 72 Cb -0.15 -2.59 -0.30 0.00 0.10 0.00 0.00 66.02 63.08 1hby s SER 72 CO 0.06 -0.99 1.00 0.11 0.98 0.00 0.00 173.24 174.40 1hby h LYS 73 N 1.76 0.44 -7.02 4.02 1.57 -1.15 -3.43 116.57 112.76 1hby h LYS 73 Ca -0.50 -0.64 -0.50 0.00 -1.87 0.00 0.00 60.65 57.15 1hby h LYS 73 Cb 1.25 0.22 0.04 0.00 0.08 0.00 0.00 32.23 33.82 1hby h LYS 73 CO 0.59 1.28 0.18 -1.54 -0.57 0.00 0.00 179.45 179.39 1hby s SER 74 N -7.12 6.29 0.21 0.86 1.04 -1.26 -4.95 113.70 108.76 1hby s SER 74 Ca -0.12 1.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 1hby s SER 74 Cb 0.03 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 1hby s SER 74 CO 0.87 -0.62 0.47 -0.44 0.98 0.00 0.00 173.24 174.49 1hby s SER 75 N -4.00 6.50 0.07 7.02 0.01 -1.26 -4.20 113.70 117.83 1hby s SER 75 Ca 0.50 0.68 0.05 0.00 1.31 0.00 0.00 55.95 58.49 1hby s SER 75 Cb -0.10 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1hby s SER 75 CO 0.45 -0.05 -0.14 -0.36 0.41 0.00 0.00 173.24 173.55 1hby s PHE 76 N -1.83 1.21 0.08 2.43 0.08 0.40 -4.85 117.98 115.49 1hby s PHE 76 Ca 0.43 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 1hby s PHE 76 Cb -0.11 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.61 1hby s PHE 76 CO 0.26 0.06 0.99 -0.65 -0.10 0.00 0.00 175.22 175.77 1hby s GLN 77 N -1.81 4.63 0.06 0.44 -1.52 -1.26 -1.87 119.66 118.33 1hby s GLN 77 Ca -0.01 1.47 -0.00 0.00 -1.95 0.00 0.00 55.36 54.87 1hby s GLN 77 Cb -0.10 -3.40 -0.04 0.00 -0.22 0.00 0.00 33.01 29.26 1hby s GLN 77 CO 0.02 0.09 -0.04 0.14 -0.25 0.00 0.00 175.29 175.26 1hby s VAL 78 N 0.37 0.31 -0.06 1.09 -7.23 -0.56 -1.12 120.40 113.21 1hby s VAL 78 Ca 0.49 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1hby s VAL 78 Cb -0.23 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.23 1hby s VAL 78 CO 0.30 -0.96 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.24 1hby s THR 79 N -3.77 0.35 -0.20 5.32 2.01 -0.35 0.44 115.64 119.45 1hby s THR 79 Ca 0.07 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 1hby s THR 79 Cb 0.07 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1hby s THR 79 CO -0.09 0.24 0.12 -0.89 -0.69 0.00 0.00 174.62 173.31 1hby s THR 80 N 1.71 5.33 -0.29 -0.82 2.01 0.40 -0.98 115.64 122.99 1hby s THR 80 Ca 0.01 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 1hby s THR 80 Cb -0.13 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1hby s THR 80 CO -0.04 0.45 0.08 0.00 -0.69 0.00 0.00 174.62 174.41 1hby s LYS 82 N 1.49 3.60 0.25 0.00 1.02 -0.03 -1.48 119.74 124.59 1hby s LYS 82 Ca 0.02 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 1hby s LYS 82 Cb -0.17 -2.87 -0.10 0.00 -0.52 0.00 0.00 37.83 34.17 1hby s LYS 82 CO 0.02 0.21 1.37 -1.17 -0.92 0.00 0.00 175.35 174.86 1hby s LEU 83 N 0.44 4.40 -0.15 3.17 2.96 0.03 0.01 118.68 129.54 1hby s LEU 83 Ca -0.05 2.58 -0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1hby s LEU 83 Cb -0.15 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1hby s LEU 83 CO 0.03 -0.61 -0.13 -2.28 -1.32 0.00 0.00 176.35 172.04 1hby s HIS 84 N -0.17 2.81 -0.66 5.38 5.65 0.16 -4.87 115.29 123.59 1hby s HIS 84 Ca 0.56 -0.81 0.00 0.00 0.25 0.00 0.00 55.06 55.07 1hby s HIS 84 Cb -0.40 -1.88 0.00 0.00 -1.18 0.00 0.00 32.58 29.12 1hby s HIS 84 CO 0.43 -0.33 0.00 0.41 -0.65 0.00 0.00 174.74 174.60 1hby n GLY 85 N 3.83 0.49 0.00 1.59 0.00 -1.26 -4.29 105.19 105.54 1hby n GLY 85 Ca -0.18 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.62 1hby n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hby n GLY 86 N -0.34 -0.03 3.78 -0.02 0.00 -1.26 -5.02 105.19 102.30 1hby n GLY 86 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1hby n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hby s SER 87 N -2.20 6.59 0.00 1.61 0.15 -1.26 -4.96 113.70 113.62 1hby s SER 87 Ca 0.02 0.70 0.28 0.00 0.70 0.00 0.00 55.95 57.65 1hby s SER 87 Cb 0.07 -2.21 1.38 0.00 -1.71 0.00 0.00 66.02 63.56 1hby s SER 87 CO 0.39 0.19 1.96 -0.81 1.20 0.00 0.00 173.24 176.18 1hby n PRO 88 N 2.83 0.33 -4.16 5.44 -0.04 -1.26 -4.82 135.00 133.32 1hby n PRO 88 Ca -0.13 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1hby n PRO 88 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1hby n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1hby s TRP 89 N -2.65 2.90 0.62 0.54 0.52 -1.26 0.17 118.94 119.78 1hby s TRP 89 Ca 0.24 -0.07 -0.18 0.00 0.02 0.00 0.00 56.10 56.11 1hby s TRP 89 Cb 0.19 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 1hby s TRP 89 CO 0.44 0.46 1.04 -2.30 0.02 0.00 0.00 176.95 176.62 1hby n PRO 90 N 0.62 0.94 -2.14 4.98 -0.02 -1.26 -4.43 135.00 133.69 1hby n PRO 90 Ca -0.12 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 1hby n PRO 90 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1hby n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1hby s PRO 91 N -2.91 4.35 -0.25 0.52 0.04 -1.26 -5.15 135.00 130.33 1hby s PRO 91 Ca 0.78 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.82 1hby s PRO 91 Cb -0.41 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1hby s PRO 91 CO 0.45 -0.31 0.32 0.00 0.04 0.00 0.00 177.00 177.51 1hby s GLN 93 N 1.68 4.16 0.07 0.00 1.11 -1.26 -4.88 119.66 120.54 1hby s GLN 93 Ca 0.14 -0.23 0.08 0.00 0.01 0.00 0.00 55.36 55.35 1hby s GLN 93 Cb -0.15 -3.44 -0.03 0.00 -1.01 0.00 0.00 33.01 28.37 1hby s GLN 93 CO 0.09 0.24 -0.22 0.71 0.01 0.00 0.00 175.29 176.12 1hby s TYR 94 N 0.53 1.87 -0.13 0.91 2.02 -1.26 0.37 117.35 121.65 1hby s TYR 94 Ca 0.08 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1hby s TYR 94 Cb -0.12 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 1hby s TYR 94 CO -0.00 0.15 -0.10 1.03 -1.57 0.00 0.00 175.55 175.06 1hby s ARG 95 N -1.50 3.44 -0.13 -0.62 0.52 0.10 -4.71 118.95 116.06 1hby s ARG 95 Ca 0.08 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.58 1hby s ARG 95 Cb -0.09 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1hby s ARG 95 CO 0.03 0.25 0.15 0.00 0.02 0.00 0.00 175.30 175.75 1hby s ALA 96 N 0.28 3.84 -0.20 2.13 0.00 -1.26 -0.85 121.76 125.71 1hby s ALA 96 Ca -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1hby s ALA 96 Cb -0.15 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.01 1hby s ALA 96 CO 0.05 0.54 -0.02 0.99 0.00 0.00 0.00 175.76 177.31 1hby s THR 97 N -0.79 1.04 0.31 0.00 2.01 0.16 -4.79 115.64 113.58 1hby s THR 97 Ca 0.14 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 61.04 1hby s THR 97 Cb -0.12 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.91 1hby s THR 97 CO 0.03 -0.09 0.98 0.00 -0.69 0.00 0.00 174.62 174.85 1hby s ALA 98 N 1.63 3.25 0.32 7.40 0.00 -1.26 -0.45 121.76 132.65 1hby s ALA 98 Ca -0.02 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1hby s ALA 98 Cb -0.17 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1hby s ALA 98 CO -0.07 0.09 0.42 0.20 0.00 0.00 0.00 175.76 176.40 1hby s GLY 99 N -1.40 1.54 -0.29 0.00 0.00 0.17 -4.95 107.32 102.40 1hby s GLY 99 Ca 0.48 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1hby s GLY 99 CO 0.29 -1.07 0.41 -0.12 0.00 0.00 0.00 173.10 172.61 1hby s PHE 100 N -3.26 -1.02 0.26 1.90 5.36 -1.26 -1.49 117.98 118.46 1hby s PHE 100 Ca 0.32 0.38 -0.20 0.00 -0.96 0.00 0.00 56.93 56.46 1hby s PHE 100 Cb 0.00 -0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.62 1hby s PHE 100 CO 0.20 -0.97 0.91 -0.98 -1.46 0.00 0.00 175.22 172.91 1hby s ARG 101 N 2.55 1.65 0.83 10.12 1.70 -0.78 -4.83 118.95 130.19 1hby s ARG 101 Ca 0.10 -1.02 -0.12 0.00 -0.47 0.00 0.00 55.73 54.22 1hby s ARG 101 Cb -0.13 0.49 0.09 0.00 -0.57 0.00 0.00 34.95 34.83 1hby s ARG 101 CO -0.29 -0.77 1.10 0.54 -1.08 0.00 0.00 175.30 174.80 1hby s ASN 102 N -3.15 4.17 0.14 -2.89 4.22 -1.26 -0.46 114.94 115.72 1hby s ASN 102 Ca 0.17 1.30 0.05 0.00 -2.14 0.00 0.00 52.86 52.24 1hby s ASN 102 Cb -0.04 -2.01 -0.04 0.00 1.28 0.00 0.00 41.25 40.45 1hby s ASN 102 CO 0.07 -2.17 -0.12 0.68 -2.04 0.00 0.00 177.10 173.52 1hby s VAL 103 N -3.13 1.26 -0.14 3.54 -7.23 -1.26 -4.87 120.40 108.58 1hby s VAL 103 Ca 0.62 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1hby s VAL 103 Cb -0.15 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1hby s VAL 103 CO 0.55 -0.62 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.91 1hby s VAL 104 N -2.86 3.15 0.27 1.32 1.01 -1.26 -1.15 120.40 120.87 1hby s VAL 104 Ca 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1hby s VAL 104 Cb -0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1hby s VAL 104 CO 0.02 0.52 0.14 0.68 0.00 0.00 0.00 175.10 176.46 1hby s VAL 105 N 0.40 0.27 -0.06 2.92 -7.23 0.14 -1.27 120.40 115.57 1hby s VAL 105 Ca -0.09 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1hby s VAL 105 Cb -0.16 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1hby s VAL 105 CO 0.05 0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 174.64 1hby s ALA 106 N -3.78 2.40 0.15 1.32 0.00 -0.36 -0.23 121.76 121.26 1hby s ALA 106 Ca 0.37 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1hby s ALA 106 Cb 0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1hby s ALA 106 CO 0.16 0.47 -0.08 0.00 0.00 0.00 0.00 175.76 176.31 1hby s GLU 108 N -2.63 0.23 -1.40 0.00 2.12 0.34 -4.85 118.70 112.51 1hby s GLU 108 Ca 0.24 0.77 -0.07 0.00 0.36 0.00 0.00 54.97 56.27 1hby s GLU 108 Cb -0.10 0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.35 1hby s GLU 108 CO 0.15 -0.23 0.52 0.09 -0.54 0.00 0.00 175.26 175.26 1hby n ASN 109 N 4.94 -4.84 -0.01 -1.70 3.02 -1.26 -1.44 115.26 113.96 1hby n ASN 109 Ca -0.14 -0.32 -0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1hby n ASN 109 Cb 0.51 -3.96 -0.00 0.00 -0.61 0.00 0.00 39.78 35.72 1hby n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hby n GLY 110 N -1.32 0.47 3.19 7.41 0.00 -1.26 -5.03 105.19 108.64 1hby n GLY 110 Ca -0.07 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1hby n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hby s LEU 111 N -0.03 2.10 0.13 0.99 1.43 -0.52 -4.78 118.68 118.00 1hby s LEU 111 Ca 0.00 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 1hby s LEU 111 Cb 0.00 -0.86 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 1hby s LEU 111 CO 0.00 0.16 1.38 -2.16 0.23 0.00 0.00 176.35 175.97 1hby s PRO 112 N -0.78 4.33 0.00 1.29 0.04 -1.26 -0.51 135.00 138.11 1hby s PRO 112 Ca 0.06 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1hby s PRO 112 Cb -0.08 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1hby s PRO 112 CO 0.00 -0.41 0.19 1.33 0.04 0.00 0.00 177.00 178.15 1hby n VAL 113 N 3.75 0.00 -3.67 -0.36 0.24 -0.23 -4.41 118.33 113.64 1hby n VAL 113 Ca 0.11 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 1hby n VAL 113 Cb 0.42 1.24 -0.08 0.00 -1.47 0.00 0.00 33.84 33.95 1hby n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1hby s HIS 114 N -0.23 -0.74 -0.19 6.34 5.65 -1.21 -4.71 115.29 120.21 1hby s HIS 114 Ca 0.00 1.65 -0.04 0.00 0.25 0.00 0.00 55.06 56.91 1hby s HIS 114 Cb 0.00 0.33 -0.02 0.00 -1.18 0.00 0.00 32.58 31.71 1hby s HIS 114 CO 0.00 -0.37 -0.02 -1.17 -0.65 0.00 0.00 174.74 172.53 1hby s LEU 115 N 0.85 3.21 -0.51 8.88 2.96 -1.26 -1.22 118.68 131.59 1hby s LEU 115 Ca -0.04 -0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 1hby s LEU 115 Cb -0.05 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1hby s LEU 115 CO -0.07 0.08 1.39 -0.62 -1.32 0.00 0.00 176.35 175.81 1hby s ASP 116 N 0.87 6.23 0.38 3.68 3.68 -0.40 -4.87 116.67 126.25 1hby s ASP 116 Ca 0.00 0.47 0.25 0.00 2.13 0.00 0.00 52.55 55.41 1hby s ASP 116 Cb -0.14 -2.54 0.64 0.00 -1.45 0.00 0.00 42.92 39.42 1hby s ASP 116 CO 0.02 -1.59 1.71 1.56 0.13 0.00 0.00 175.17 177.00 1hby h GLN 117 N 10.80 0.00 -0.92 4.34 1.08 -1.97 -3.36 115.11 125.08 1hby h GLN 117 Ca -0.27 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.10 1hby h GLN 117 Cb 1.09 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.42 1hby h GLN 117 CO 1.14 0.00 0.52 0.66 -0.95 0.00 0.00 178.83 180.20 1hby h SER 118 N 0.00 0.65 0.35 1.46 4.64 -1.96 0.60 113.55 119.29 1hby h SER 118 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1hby h SER 118 Cb 0.83 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1hby h SER 118 CO 0.00 0.25 0.00 2.30 -0.87 0.00 0.00 176.83 178.51 1hby n ILE 119 N -4.82 1.20 -0.88 0.95 -5.35 -1.26 -1.02 119.36 108.18 1hby n ILE 119 Ca 0.20 0.40 0.08 0.00 -0.27 0.00 0.00 62.75 63.16 1hby n ILE 119 Cb 0.50 -1.30 0.29 0.00 -1.74 0.00 0.00 39.64 37.39 1hby n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1hby n PHE 120 N -1.84 1.20 -3.56 4.28 3.72 0.20 -4.86 117.46 116.60 1hby n PHE 120 Ca 0.01 -0.79 -0.41 0.00 -0.05 0.00 0.00 57.45 56.21 1hby n PHE 120 Cb 0.12 -0.33 -0.11 0.00 -0.94 0.00 0.00 39.48 38.22 1hby n PHE 120 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1hby s ARG 121 N -2.58 2.82 -0.93 -1.08 3.52 -0.19 -5.04 118.95 115.47 1hby s ARG 121 Ca 0.44 -1.15 -0.07 0.00 -0.13 0.00 0.00 55.73 54.83 1hby s ARG 121 Cb 0.34 -3.81 0.23 0.00 -1.56 0.00 0.00 34.95 30.15 1hby s ARG 121 CO 0.12 -0.77 0.86 0.50 -0.81 0.00 0.00 175.30 175.20 1hby s ARG 122 N 1.56 3.58 0.00 5.12 3.00 -1.26 -5.04 118.95 125.92 1hby s ARG 122 Ca 0.03 -3.04 0.17 0.00 -1.00 0.00 0.00 55.73 51.89 1hby s ARG 122 Cb -0.20 -4.22 1.01 0.00 0.00 0.00 0.00 34.95 31.54 1hby s ARG 122 CO 0.07 -1.25 1.41 -0.35 0.00 0.00 0.00 175.30 175.18