#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7o h LEU 2 N 0.00 -0.47 -0.80 -4.53 5.85 -1.55 -0.28 115.31 113.53 1p7o h LEU 2 Ca 0.00 0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1p7o h LEU 2 Cb 0.00 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1p7o h LEU 2 CO 0.00 -0.18 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.69 1p7o h LEU 3 N 0.05 0.73 -0.80 2.25 3.38 -1.96 -2.15 115.31 116.81 1p7o h LEU 3 Ca 0.34 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1p7o h LEU 3 Cb 0.54 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1p7o h LEU 3 CO -0.63 0.90 0.16 1.56 0.09 0.00 0.00 178.44 180.52 1p7o h GLN 4 N 0.66 1.06 -0.41 1.13 4.20 -1.52 -0.28 115.11 119.95 1p7o h GLN 4 Ca 0.11 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1p7o h GLN 4 Cb 0.63 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1p7o h GLN 4 CO 0.04 0.94 0.16 0.35 -0.67 0.00 0.00 178.83 179.65 1p7o h PHE 5 N 1.01 0.62 -0.56 2.96 3.57 -0.98 0.77 116.94 124.32 1p7o h PHE 5 Ca 0.21 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1p7o h PHE 5 Cb 0.36 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1p7o h PHE 5 CO 0.03 0.55 0.28 -0.09 -2.23 0.00 0.00 178.31 176.84 1p7o h ARG 6 N 0.51 0.51 -0.06 1.11 2.43 -0.92 -1.40 114.38 116.56 1p7o h ARG 6 Ca 0.14 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1p7o h ARG 6 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1p7o h ARG 6 CO -0.01 0.34 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.50 1p7o h ASN 7 N 0.52 0.12 -0.32 -3.80 2.35 -0.62 -2.52 115.58 111.31 1p7o h ASN 7 Ca 0.26 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1p7o h ASN 7 Cb 0.19 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1p7o h ASN 7 CO -0.19 0.48 -0.04 0.24 -1.65 0.00 0.00 177.43 176.28 1p7o h MET 8 N 0.10 0.69 -0.54 0.81 2.86 0.18 -1.80 114.93 117.23 1p7o h MET 8 Ca 0.01 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.35 1p7o h MET 8 Cb 0.71 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1p7o h MET 8 CO 0.05 0.74 -0.08 0.82 1.06 0.00 0.00 176.91 179.50 1p7o h ILE 9 N 0.65 1.27 -0.29 -1.22 2.04 -1.00 -2.01 117.51 116.94 1p7o h ILE 9 Ca 0.13 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1p7o h ILE 9 Cb 0.46 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1p7o h ILE 9 CO 0.02 0.43 0.06 0.11 0.00 0.00 0.00 178.15 178.78 1p7o h LYS 10 N 0.90 0.42 -0.22 2.37 1.57 -1.03 0.57 116.57 121.15 1p7o h LYS 10 Ca 0.15 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1p7o h LYS 10 Cb 0.63 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1p7o h LYS 10 CO 0.04 0.40 -0.01 0.00 -0.57 0.00 0.00 179.45 179.31 1p7o h THR 12 N 0.14 0.92 -2.76 0.00 1.35 -0.99 -3.41 112.91 108.17 1p7o h THR 12 Ca 0.06 -2.37 -0.61 0.00 -0.55 0.00 0.00 66.41 62.94 1p7o h THR 12 Cb 0.43 2.41 -0.40 0.00 -1.73 0.00 0.00 68.15 68.85 1p7o h THR 12 CO 0.01 0.52 -0.75 -0.63 -0.25 0.00 0.00 175.52 174.42 1p7o s ILE 13 N -2.90 1.75 0.60 6.82 1.09 0.20 -4.82 121.20 123.94 1p7o s ILE 13 Ca 0.02 -3.56 -0.19 0.00 -1.10 0.00 0.00 60.65 55.81 1p7o s ILE 13 Cb 0.08 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.29 1p7o s ILE 13 CO 0.77 -1.11 1.29 -2.84 -0.10 0.00 0.00 174.94 172.95 1p7o s PRO 14 N -0.79 2.84 -0.68 2.79 0.02 -1.09 -4.25 135.00 133.84 1p7o s PRO 14 Ca 0.29 2.05 -0.00 0.00 0.02 0.00 0.00 61.00 63.35 1p7o s PRO 14 Cb -0.01 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 1p7o s PRO 14 CO -0.18 -1.37 0.64 0.41 -0.33 0.00 0.00 177.00 176.17 1p7o n GLY 15 N 0.75 -1.15 0.00 0.52 0.00 -1.26 -5.04 105.19 99.00 1p7o n GLY 15 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1p7o n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1p7o n ARG 16 N -1.73 0.00 -2.47 1.61 0.63 -1.26 -5.11 116.66 108.32 1p7o n ARG 16 Ca -0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.51 1p7o n ARG 16 Cb 0.50 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.39 1p7o n ARG 16 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1p7o s GLU 17 N 0.00 3.31 0.30 -0.14 2.56 -1.26 -4.83 118.70 118.64 1p7o s GLU 17 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 54.97 55.24 1p7o s GLU 17 Cb 0.00 -4.12 0.82 0.00 2.00 0.00 0.00 34.13 32.83 1p7o s GLU 17 CO 0.00 -1.95 1.65 -1.35 -0.56 0.00 0.00 175.26 173.05 1p7o h PRO 18 N 10.51 0.23 -0.03 4.30 0.11 -1.94 0.52 132.00 145.69 1p7o h PRO 18 Ca -0.26 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1p7o h PRO 18 Cb 1.07 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1p7o h PRO 18 CO 1.21 0.15 -0.36 -0.07 -0.21 0.00 0.00 178.00 178.72 1p7o h LEU 19 N 0.24 0.06 -4.23 2.35 3.38 -1.94 0.98 115.31 116.15 1p7o h LEU 19 Ca 0.61 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.99 1p7o h LEU 19 Cb 1.28 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.79 1p7o h LEU 19 CO -0.65 0.42 0.67 -0.11 0.09 0.00 0.00 178.44 178.87 1p7o n LEU 20 N -4.09 7.03 0.00 1.67 7.94 0.18 -3.45 117.00 126.27 1p7o n LEU 20 Ca -0.02 -4.10 0.00 0.00 -1.11 0.00 0.00 56.01 50.78 1p7o n LEU 20 Cb 0.41 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.27 1p7o n LEU 20 CO 0.39 1.54 0.00 0.00 -1.11 0.00 0.00 177.39 178.22 1p7o n ALA 21 N -0.03 0.00 0.33 1.96 0.00 -1.08 -4.72 120.51 116.97 1p7o n ALA 21 Ca 0.49 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.97 1p7o n ALA 21 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1p7o n ALA 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1p7o n PHE 22 N -0.40 0.00 -0.23 0.00 3.72 0.32 -4.68 117.46 116.18 1p7o n PHE 22 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1p7o n PHE 22 Cb 0.00 -0.03 0.34 0.00 -0.94 0.00 0.00 39.48 38.85 1p7o n PHE 22 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1p7o h SER 23 N 0.00 0.71 -1.80 4.37 0.02 -1.58 -3.31 113.55 111.95 1p7o h SER 23 Ca 0.00 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.47 1p7o h SER 23 Cb 0.23 -0.13 -0.34 0.00 0.14 0.00 0.00 62.40 62.30 1p7o h SER 23 CO 0.00 0.43 -0.94 0.59 -1.14 0.00 0.00 176.83 175.77 1p7o n ASN 24 N -4.50 -0.74 -4.17 3.07 3.02 -1.24 -3.61 115.26 107.09 1p7o n ASN 24 Ca 0.13 -2.67 -0.28 0.00 -0.03 0.00 0.00 54.58 51.72 1p7o n ASN 24 Cb 0.29 -0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 39.19 1p7o n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1p7o s TYR 25 N -0.36 2.03 0.00 3.10 6.14 -0.53 0.69 117.35 128.42 1p7o s TYR 25 Ca 0.34 -0.66 0.00 0.00 0.64 0.00 0.00 57.07 57.38 1p7o s TYR 25 Cb 0.12 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 41.13 1p7o s TYR 25 CO -0.15 -0.24 0.00 0.41 0.64 0.00 0.00 175.55 176.21 1p7o n GLY 26 N 3.25 2.35 0.01 8.97 0.00 -0.26 -1.70 105.19 117.81 1p7o n GLY 26 Ca -0.19 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.50 1p7o n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7o n TYR 28 N -2.03 0.00 -2.37 0.00 4.02 -1.25 -2.45 117.16 113.08 1p7o n TYR 28 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 1p7o n TYR 28 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 1p7o n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p7o n GLY 30 N 4.74 1.15 2.78 0.00 0.00 -1.24 -1.45 105.19 111.17 1p7o n GLY 30 Ca 0.16 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1p7o n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p7o s LYS 31 N 0.00 0.61 -0.15 1.61 1.02 -1.26 -4.99 119.74 116.57 1p7o s LYS 31 Ca 0.00 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 1p7o s LYS 31 Cb 0.00 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 1p7o s LYS 31 CO 0.00 -0.28 0.10 0.41 -0.92 0.00 0.00 175.35 174.66 1p7o n GLY 32 N 5.05 -1.14 3.94 -3.33 0.00 -1.26 -5.00 105.19 103.45 1p7o n GLY 32 Ca -0.09 0.31 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1p7o n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p7o s GLY 33 N -1.29 1.33 0.14 -0.02 0.00 -1.26 -4.98 107.32 101.24 1p7o s GLY 33 Ca 0.06 -1.32 -0.07 0.00 0.00 0.00 0.00 44.72 43.39 1p7o s GLY 33 CO 0.34 -1.33 0.21 -1.35 0.00 0.00 0.00 173.10 170.97 1p7o s SER 34 N -3.97 0.13 0.00 1.64 1.04 -1.02 -4.93 113.70 106.57 1p7o s SER 34 Ca 0.35 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1p7o s SER 34 Cb -0.09 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1p7o s SER 34 CO 0.28 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1p7o n GLY 35 N -0.16 0.11 3.41 7.32 0.00 -1.14 -4.76 105.19 109.98 1p7o n GLY 35 Ca -0.08 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1p7o n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p7o s THR 36 N 0.00 2.89 0.39 2.61 2.01 -1.26 -5.01 115.64 117.28 1p7o s THR 36 Ca 0.00 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 1p7o s THR 36 Cb 0.00 -2.14 -0.11 0.00 0.01 0.00 0.00 72.50 70.26 1p7o s THR 36 CO 0.00 0.57 1.36 -2.65 -0.69 0.00 0.00 174.62 173.21 1p7o n PRO 37 N 2.73 2.25 0.09 4.92 -0.02 -1.26 -4.78 135.00 138.92 1p7o n PRO 37 Ca -0.17 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1p7o n PRO 37 Cb 0.52 -2.49 0.44 0.00 -0.02 0.00 0.00 33.50 31.95 1p7o n PRO 37 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1p7o n VAL 38 N 0.12 0.53 -3.21 -1.45 0.24 -1.26 -4.93 118.33 108.37 1p7o n VAL 38 Ca 0.04 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1p7o n VAL 38 Cb 0.39 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 1p7o n VAL 38 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1p7o n ASP 39 N -2.14 0.00 -0.13 -1.34 5.68 -1.26 -5.02 116.55 112.33 1p7o n ASP 39 Ca 0.05 -0.71 -0.12 0.00 -0.50 0.00 0.00 54.79 53.51 1p7o n ASP 39 Cb 0.40 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.36 1p7o n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1p7o h GLU 40 N 0.00 0.89 0.37 0.11 4.57 -1.92 -2.55 114.58 116.04 1p7o h GLU 40 Ca 0.00 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1p7o h GLU 40 Cb 0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1p7o h GLU 40 CO 0.00 1.06 -0.33 1.25 -1.18 0.00 0.00 179.01 179.81 1p7o h LEU 41 N 0.71 -0.87 -0.97 1.64 6.46 -1.90 -1.69 115.31 118.69 1p7o h LEU 41 Ca 0.08 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.09 1p7o h LEU 41 Cb 0.82 0.29 -0.10 0.00 -0.73 0.00 0.00 40.66 40.94 1p7o h LEU 41 CO 0.07 -0.47 0.57 -0.78 -0.62 0.00 0.00 178.44 177.20 1p7o h ASP 42 N -0.71 0.73 0.10 1.25 -0.00 -1.91 0.15 116.42 116.03 1p7o h ASP 42 Ca -0.03 0.09 -0.08 0.00 -0.00 0.00 0.00 57.03 57.02 1p7o h ASP 42 Cb 0.63 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.91 1p7o h ASP 42 CO -0.04 0.27 -0.27 -0.09 -0.00 0.00 0.00 179.24 179.12 1p7o h ARG 43 N 0.74 0.28 -0.71 0.28 2.43 -0.99 -0.56 114.38 115.85 1p7o h ARG 43 Ca 0.55 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.68 1p7o h ARG 43 Cb 0.82 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 1p7o h ARG 43 CO -0.38 0.53 0.41 0.00 -1.51 0.00 0.00 179.97 179.03 1p7o h GLN 46 N 0.40 0.43 -0.67 0.00 4.15 0.11 -1.34 115.11 118.19 1p7o h GLN 46 Ca 0.05 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 1p7o h GLN 46 Cb 0.75 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 1p7o h GLN 46 CO 0.06 0.47 0.20 1.15 -1.93 0.00 0.00 178.83 178.78 1p7o h THR 47 N 0.30 1.25 -0.54 2.39 2.02 -0.72 -2.30 112.91 115.31 1p7o h THR 47 Ca 0.09 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1p7o h THR 47 Cb 0.21 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1p7o h THR 47 CO -0.01 0.34 0.32 -0.74 0.37 0.00 0.00 175.52 175.80 1p7o h HIS 48 N 1.00 0.59 -0.18 3.16 -0.00 -0.66 -0.94 115.15 118.12 1p7o h HIS 48 Ca 0.22 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1p7o h HIS 48 Cb 0.29 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 1p7o h HIS 48 CO 0.02 0.33 -0.07 -0.44 -0.00 0.00 0.00 177.93 177.77 1p7o h ASP 49 N 0.62 -0.23 -0.78 3.26 5.19 -0.75 -1.60 116.42 122.13 1p7o h ASP 49 Ca 0.22 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.75 1p7o h ASP 49 Cb 0.04 0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 1p7o h ASP 49 CO -0.11 -0.09 0.51 -1.13 -3.12 0.00 0.00 179.24 175.31 1p7o h ASN 50 N -0.04 0.76 -0.26 6.45 -1.24 -0.88 -0.56 115.58 119.81 1p7o h ASN 50 Ca 0.09 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 1p7o h ASN 50 Cb 0.18 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1p7o h ASN 50 CO -0.21 0.50 0.08 0.00 -1.29 0.00 0.00 177.43 176.52 1p7o h TYR 52 N 0.26 0.63 -0.91 0.00 -1.99 -0.85 -0.66 116.97 113.44 1p7o h TYR 52 Ca 0.08 0.02 0.13 0.00 2.00 0.00 0.00 58.73 60.96 1p7o h TYR 52 Cb 0.23 -0.21 -0.07 0.00 2.00 0.00 0.00 36.73 38.68 1p7o h TYR 52 CO 0.00 0.38 0.58 -0.44 -0.00 0.00 0.00 178.16 178.68 1p7o h ASP 53 N 0.67 0.72 -0.02 3.88 3.45 -0.73 0.02 116.42 124.40 1p7o h ASP 53 Ca 0.20 0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.55 1p7o h ASP 53 Cb -0.04 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1p7o h ASP 53 CO -0.06 0.37 -0.47 0.11 -1.57 0.00 0.00 179.24 177.61 1p7o h LYS 54 N 0.76 0.57 -0.59 3.56 1.57 -0.22 -3.13 116.57 119.10 1p7o h LYS 54 Ca 0.45 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1p7o h LYS 54 Cb 0.64 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1p7o h LYS 54 CO -0.21 0.92 0.09 0.00 -0.57 0.00 0.00 179.45 179.68 1p7o h ALA 55 N 1.02 1.04 0.00 3.86 0.00 0.39 -1.87 119.26 123.71 1p7o h ALA 55 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1p7o h ALA 55 Cb 1.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1p7o h ALA 55 CO 0.09 0.61 0.00 0.93 0.00 0.00 0.00 179.25 180.88 1p7o h GLU 56 N 0.90 0.00 0.00 0.00 5.08 -1.28 -1.82 114.58 117.47 1p7o h GLU 56 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1p7o h GLU 56 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1p7o h GLU 56 CO 0.01 0.00 -0.66 1.63 -1.00 0.00 0.00 179.01 178.99 1p7o n LYS 57 N -2.64 2.75 -1.68 2.33 5.02 -0.89 -4.99 118.16 118.06 1p7o n LYS 57 Ca -0.02 -0.01 -0.45 0.00 -2.02 0.00 0.00 58.31 55.81 1p7o n LYS 57 Cb 0.09 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1p7o n LYS 57 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1p7o n LEU 58 N -1.34 3.44 -0.30 -0.35 7.94 -0.68 -4.86 117.00 120.84 1p7o n LEU 58 Ca 0.02 1.05 0.12 0.00 -1.11 0.00 0.00 56.01 56.08 1p7o n LEU 58 Cb 0.20 -1.46 0.29 0.00 0.53 0.00 0.00 43.42 42.98 1p7o n LEU 58 CO 0.25 -0.11 1.04 -0.65 -1.11 0.00 0.00 177.39 176.82 1p7o h PRO 59 N 6.99 0.41 0.00 1.96 0.11 -1.92 0.14 132.00 139.69 1p7o h PRO 59 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1p7o h PRO 59 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1p7o h PRO 59 CO 0.92 0.27 0.00 0.39 -0.21 0.00 0.00 178.00 179.37 1p7o n GLU 60 N -5.03 0.22 -2.89 1.05 4.71 -1.26 -4.43 120.64 113.01 1p7o n GLU 60 Ca 0.21 0.37 -0.43 0.00 -0.01 0.00 0.00 57.16 57.30 1p7o n GLU 60 Cb 0.61 -1.86 -0.03 0.00 -1.01 0.00 0.00 31.44 29.15 1p7o n GLU 60 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1p7o s LYS 62 N 3.50 0.51 0.00 0.00 2.20 -1.26 -4.76 119.74 119.93 1p7o s LYS 62 Ca 0.25 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1p7o s LYS 62 Cb -0.13 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1p7o s LYS 62 CO 0.03 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1p7o n GLY 63 N 4.56 3.67 3.74 5.54 0.00 -1.26 -4.94 105.19 116.51 1p7o n GLY 63 Ca -0.19 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1p7o n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p7o s ILE 64 N -2.06 2.75 -1.58 -0.61 1.01 -1.26 -2.74 121.20 116.71 1p7o s ILE 64 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1p7o s ILE 64 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1p7o s ILE 64 CO 0.00 0.10 0.00 0.18 0.00 0.00 0.00 174.94 175.22 1p7o n LEU 65 N 2.40 -1.28 -0.65 2.97 4.77 -1.26 -4.82 117.00 119.14 1p7o n LEU 65 Ca 0.07 0.30 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1p7o n LEU 65 Cb 0.41 -2.37 0.13 0.00 -2.33 0.00 0.00 43.42 39.25 1p7o n LEU 65 CO 0.60 -0.61 0.56 -1.54 -1.33 0.00 0.00 177.39 175.08 1p7o n SER 66 N -1.19 1.82 -4.82 -1.43 3.41 -1.11 -2.96 113.62 107.35 1p7o n SER 66 Ca -0.17 -2.10 -0.33 0.00 -0.26 0.00 0.00 58.87 56.01 1p7o n SER 66 Cb 0.57 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1p7o n SER 66 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1p7o s GLY 67 N -0.78 2.31 0.55 5.00 0.00 -1.26 -4.69 107.32 108.45 1p7o s GLY 67 Ca 0.18 0.38 0.37 0.00 0.00 0.00 0.00 44.72 45.66 1p7o s GLY 67 CO 0.10 0.67 1.79 -2.55 0.00 0.00 0.00 173.10 173.11 1p7o h PRO 68 N 1.49 0.00 -0.10 2.90 0.11 -1.90 0.35 132.00 134.84 1p7o h PRO 68 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 1p7o h PRO 68 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1p7o h PRO 68 CO 0.60 0.00 -0.77 -0.92 -0.21 0.00 0.00 178.00 176.70 1p7o h TYR 69 N 0.00 0.76 0.00 0.65 3.20 -1.93 -3.35 116.97 116.29 1p7o h TYR 69 Ca 0.57 -0.34 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1p7o h TYR 69 Cb 2.32 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 40.48 1p7o h TYR 69 CO 0.00 1.13 -1.47 1.19 -1.64 0.00 0.00 178.16 177.38 1p7o n PHE 70 N -3.87 0.00 -1.88 -3.82 3.01 -0.46 -2.09 117.46 108.35 1p7o n PHE 70 Ca -0.06 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.98 1p7o n PHE 70 Cb 0.73 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.93 1p7o n PHE 70 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1p7o s ASN 71 N -3.23 6.13 -0.31 4.37 3.04 0.11 -4.72 114.94 120.34 1p7o s ASN 71 Ca -0.04 1.91 -0.22 0.00 0.04 0.00 0.00 52.86 54.56 1p7o s ASN 71 Cb 0.06 -2.53 -0.00 0.00 -1.54 0.00 0.00 41.25 37.24 1p7o s ASN 71 CO 0.40 -1.41 0.70 -0.89 -3.04 0.00 0.00 177.10 172.86 1p7o s THR 72 N 5.91 4.87 0.48 -5.21 2.01 -1.26 -0.83 115.64 121.62 1p7o s THR 72 Ca 0.83 0.99 0.06 0.00 0.31 0.00 0.00 61.69 63.88 1p7o s THR 72 Cb -0.31 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.20 1p7o s THR 72 CO 0.34 -0.19 0.49 0.00 -0.69 0.00 0.00 174.62 174.57 1p7o n TYR 73 N 6.02 -1.43 -4.87 4.92 0.18 -1.26 -4.93 117.16 115.80 1p7o n TYR 73 Ca 0.01 -1.91 -0.33 0.00 1.88 0.00 0.00 57.90 57.55 1p7o n TYR 73 Cb 0.48 -0.42 -0.16 0.00 -0.38 0.00 0.00 39.34 38.87 1p7o n TYR 73 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1p7o s SER 74 N -3.90 3.53 0.23 9.48 1.04 -1.26 -4.93 113.70 117.90 1p7o s SER 74 Ca 0.37 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.20 1p7o s SER 74 Cb -0.03 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1p7o s SER 74 CO 0.24 0.14 0.49 -0.72 0.98 0.00 0.00 173.24 174.36 1p7o s TYR 75 N 0.49 0.25 0.03 5.02 -0.85 -1.26 -1.04 117.35 119.98 1p7o s TYR 75 Ca -0.12 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 55.83 1p7o s TYR 75 Cb -0.16 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.40 1p7o s TYR 75 CO 0.05 -0.98 -0.07 0.16 -1.52 0.00 0.00 175.55 173.19 1p7o s ASP 76 N -2.98 0.75 -0.31 -0.18 1.47 0.34 -4.91 116.67 110.85 1p7o s ASP 76 Ca 0.19 -0.41 0.02 0.00 1.18 0.00 0.00 52.55 53.54 1p7o s ASP 76 Cb -0.01 0.01 0.08 0.00 -0.34 0.00 0.00 42.92 42.66 1p7o s ASP 76 CO 0.06 -0.13 -0.00 0.00 0.68 0.00 0.00 175.17 175.78 1p7o s THR 78 N 1.04 1.45 -1.21 0.00 2.01 -0.02 -4.81 115.64 114.10 1p7o s THR 78 Ca 0.01 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 1p7o s THR 78 Cb -0.20 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1p7o s THR 78 CO -0.06 0.15 0.79 0.47 -0.69 0.00 0.00 174.62 175.28 1p7o n ASP 79 N 4.75 -3.08 0.00 3.53 8.00 -1.26 -1.93 116.55 126.56 1p7o n ASP 79 Ca -0.14 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1p7o n ASP 79 Cb 0.47 -4.28 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1p7o n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p7o n GLY 80 N -1.48 0.15 3.38 0.44 0.00 -1.26 -4.97 105.19 101.45 1p7o n GLY 80 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1p7o n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p7o s LYS 81 N -1.38 2.79 -0.10 1.61 2.20 -0.81 -4.64 119.74 119.41 1p7o s LYS 81 Ca 0.00 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1p7o s LYS 81 Cb 0.00 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1p7o s LYS 81 CO 0.00 0.43 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.89 1p7o s LEU 82 N -0.23 3.45 -0.03 5.43 1.43 -1.26 -0.84 118.68 126.62 1p7o s LEU 82 Ca 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1p7o s LEU 82 Cb -0.13 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1p7o s LEU 82 CO 0.03 0.33 -0.09 -0.89 0.23 0.00 0.00 176.35 175.96 1p7o s THR 83 N -0.57 0.75 -0.33 5.49 2.01 -0.39 -4.96 115.64 117.64 1p7o s THR 83 Ca 0.09 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.59 1p7o s THR 83 Cb -0.12 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1p7o s THR 83 CO 0.02 0.24 0.46 0.00 -0.69 0.00 0.00 174.62 174.65 1p7o n ASN 85 N 5.58 1.21 -4.75 0.00 3.02 -0.21 -4.97 115.26 115.13 1p7o n ASN 85 Ca -0.06 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.10 1p7o n ASN 85 Cb 0.49 0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.96 1p7o n ASN 85 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1p7o n ASP 86 N -0.68 3.80 0.00 6.41 8.00 -1.23 -4.90 116.55 127.94 1p7o n ASP 86 Ca 0.10 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1p7o n ASP 86 Cb 0.38 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1p7o n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p7o n GLN 87 N 1.90 0.54 -0.08 -1.24 6.02 -1.26 -4.89 117.38 118.37 1p7o n GLN 87 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.91 1p7o n GLN 87 Cb 0.37 -0.91 -0.12 0.00 1.02 0.00 0.00 30.24 30.59 1p7o n GLN 87 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1p7o h ASN 88 N 0.00 0.00 -2.92 1.08 2.35 -2.05 -3.42 115.58 110.61 1p7o h ASN 88 Ca 0.00 -0.86 -0.71 0.00 -0.55 0.00 0.00 56.30 54.18 1p7o h ASN 88 Cb 0.83 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.00 1p7o h ASN 88 CO 0.00 1.12 0.28 -0.62 -1.65 0.00 0.00 177.43 176.56 1p7o s ASP 89 N -6.38 6.35 0.31 5.81 3.68 -1.26 -4.90 116.67 120.29 1p7o s ASP 89 Ca -0.21 -1.71 0.23 0.00 2.13 0.00 0.00 52.55 52.99 1p7o s ASP 89 Cb -0.01 -2.31 1.13 0.00 -1.45 0.00 0.00 42.92 40.28 1p7o s ASP 89 CO 0.66 -1.05 1.71 0.11 0.13 0.00 0.00 175.17 176.73 1p7o h LYS 90 N 8.94 0.00 0.10 4.34 1.57 -1.91 -2.30 116.57 127.31 1p7o h LYS 90 Ca -0.15 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.44 1p7o h LYS 90 Cb 1.07 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.40 1p7o h LYS 90 CO 1.06 0.00 -0.80 0.00 -0.57 0.00 0.00 179.45 179.14 1p7o h LYS 92 N -0.22 0.50 -0.28 0.00 1.57 -1.80 -1.45 116.57 114.88 1p7o h LYS 92 Ca -0.13 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 1p7o h LYS 92 Cb 1.57 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1p7o h LYS 92 CO 0.15 0.50 -0.55 1.25 -0.57 0.00 0.00 179.45 180.23 1p7o h LEU 93 N 0.49 0.98 -0.13 2.94 5.85 -1.41 -0.06 115.31 123.96 1p7o h LEU 93 Ca 0.11 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1p7o h LEU 93 Cb 0.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1p7o h LEU 93 CO 0.00 1.33 0.04 0.15 -0.34 0.00 0.00 178.44 179.62 1p7o h PHE 94 N 0.66 0.21 -0.45 1.25 3.57 -0.92 -1.61 116.94 119.65 1p7o h PHE 94 Ca 0.01 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1p7o h PHE 94 Cb 1.16 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 1p7o h PHE 94 CO 0.07 0.34 0.23 0.82 -2.23 0.00 0.00 178.31 177.54 1p7o h ILE 95 N 0.02 0.97 -0.87 1.41 2.04 -1.25 -1.02 117.51 118.81 1p7o h ILE 95 Ca 0.04 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1p7o h ILE 95 Cb 0.23 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1p7o h ILE 95 CO -0.00 0.08 0.55 0.00 0.00 0.00 0.00 178.15 178.78 1p7o h ASN 97 N 1.03 0.26 0.11 0.00 2.35 -0.51 -0.13 115.58 118.69 1p7o h ASN 97 Ca 0.37 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1p7o h ASN 97 Cb 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1p7o h ASN 97 CO -0.15 0.58 -0.05 0.00 -1.65 0.00 0.00 177.43 176.16 1p7o h ASP 99 N -0.26 0.85 0.03 0.00 5.19 -1.21 -2.18 116.42 118.84 1p7o h ASP 99 Ca -0.01 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1p7o h ASP 99 Cb 0.22 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1p7o h ASP 99 CO 0.02 0.77 -0.05 -0.09 -3.12 0.00 0.00 179.24 176.77 1p7o h ARG 100 N 0.88 -0.10 -0.94 3.56 2.43 -0.94 0.13 114.38 119.39 1p7o h ARG 100 Ca 0.21 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1p7o h ARG 100 Cb 0.17 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1p7o h ARG 100 CO -0.02 -0.07 0.62 1.15 -1.51 0.00 0.00 179.97 180.14 1p7o h THR 101 N -0.11 1.19 -0.01 0.20 2.02 -1.24 -1.07 112.91 113.90 1p7o h THR 101 Ca 0.01 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1p7o h THR 101 Cb 0.12 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1p7o h THR 101 CO -0.04 0.22 -0.00 0.00 0.37 0.00 0.00 175.52 176.07 1p7o h ALA 102 N 1.37 0.01 -0.83 6.16 0.00 -1.05 0.35 119.26 125.26 1p7o h ALA 102 Ca 0.36 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1p7o h ALA 102 Cb -0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1p7o h ALA 102 CO -0.10 -0.29 0.52 0.00 0.00 0.00 0.00 179.25 179.37 1p7o h ALA 103 N 0.62 1.12 -0.03 0.00 0.00 -0.57 0.31 119.26 120.70 1p7o h ALA 103 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1p7o h ALA 103 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1p7o h ALA 103 CO 0.00 0.29 -0.50 0.52 0.00 0.00 0.00 179.25 179.56 1p7o h MET 104 N 0.98 0.09 -0.28 0.00 2.07 -1.15 -2.47 114.93 114.17 1p7o h MET 104 Ca 0.35 -0.05 -0.17 0.00 -2.07 0.00 0.00 59.70 57.76 1p7o h MET 104 Cb 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1p7o h MET 104 CO -0.15 0.57 -0.48 0.00 1.07 0.00 0.00 176.91 177.93 1p7o h PHE 106 N 0.58 1.21 0.00 0.00 0.04 -0.26 -2.65 116.94 115.86 1p7o h PHE 106 Ca 0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1p7o h PHE 106 Cb 1.08 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 1p7o h PHE 106 CO 0.08 0.72 -0.03 0.00 -0.60 0.00 0.00 178.31 178.48 1p7o h ALA 107 N 1.42 1.09 -0.51 2.45 0.00 -1.27 -2.45 119.26 120.00 1p7o h ALA 107 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1p7o h ALA 107 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1p7o h ALA 107 CO -0.10 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.81 1p7o n LYS 108 N -3.26 3.60 -5.11 0.00 5.02 -1.00 -4.97 118.16 112.45 1p7o n LYS 108 Ca -0.02 -2.80 -0.29 0.00 -2.02 0.00 0.00 58.31 53.18 1p7o n LYS 108 Cb 0.18 -1.84 -0.16 0.00 -0.02 0.00 0.00 35.03 33.19 1p7o n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p7o s ALA 109 N -2.06 1.92 0.27 7.82 0.00 -0.92 -5.04 121.76 123.75 1p7o s ALA 109 Ca 0.46 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1p7o s ALA 109 Cb 0.31 -0.59 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 1p7o s ALA 109 CO 0.19 0.38 1.56 -2.14 0.00 0.00 0.00 175.76 175.75 1p7o s PRO 110 N -0.17 4.17 -0.26 0.00 0.02 -1.26 -4.88 135.00 132.62 1p7o s PRO 110 Ca -0.01 2.49 -0.09 0.00 0.02 0.00 0.00 61.00 63.41 1p7o s PRO 110 Cb -0.12 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1p7o s PRO 110 CO 0.02 -0.58 0.12 -0.47 -0.33 0.00 0.00 177.00 175.76 1p7o s TYR 111 N 0.16 3.15 -0.29 6.54 5.04 -1.26 -4.54 117.35 126.15 1p7o s TYR 111 Ca 0.63 -0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 55.02 1p7o s TYR 111 Cb -0.46 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 39.57 1p7o s TYR 111 CO 0.44 -0.25 0.08 1.21 -1.34 0.00 0.00 175.55 175.70 1p7o s ASN 112 N 1.60 5.13 0.53 4.32 2.47 -1.26 -4.97 114.94 122.75 1p7o s ASN 112 Ca 0.06 -0.65 0.26 0.00 0.42 0.00 0.00 52.86 52.95 1p7o s ASN 112 Cb -0.15 -1.89 1.46 0.00 -1.45 0.00 0.00 41.25 39.22 1p7o s ASN 112 CO 0.06 -0.18 2.10 -0.33 -3.72 0.00 0.00 177.10 175.04 1p7o h GLU 113 N 8.24 0.00 0.00 0.43 5.08 -1.98 -2.16 114.58 124.19 1p7o h GLU 113 Ca -0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1p7o h GLU 113 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1p7o h GLU 113 CO 0.60 0.10 -0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1p7o h ALA 114 N 1.90 1.00 -0.01 3.43 0.00 -2.03 -2.13 119.26 121.42 1p7o h ALA 114 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p7o h ALA 114 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1p7o h ALA 114 CO 0.01 0.00 -0.07 0.66 0.00 0.00 0.00 179.25 179.86 1p7o n TYR 115 N -3.09 0.00 -2.40 0.00 0.53 -0.81 -4.82 117.16 106.57 1p7o n TYR 115 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.47 1p7o n TYR 115 Cb 0.28 -0.05 -0.03 0.00 -1.03 0.00 0.00 39.34 38.51 1p7o n TYR 115 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1p7o s ASN 116 N -2.16 7.11 -1.24 7.72 2.47 -0.80 -1.11 114.94 126.93 1p7o s ASN 116 Ca 0.35 2.19 -0.04 0.00 0.42 0.00 0.00 52.86 55.78 1p7o s ASN 116 Cb 0.21 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 1p7o s ASN 116 CO 0.39 -0.36 0.76 1.41 -3.72 0.00 0.00 177.10 175.58 1p7o n HIS 117 N 2.62 -2.00 -2.51 0.43 8.25 0.22 -4.92 115.22 117.31 1p7o n HIS 117 Ca 0.05 0.79 -0.41 0.00 -0.26 0.00 0.00 57.72 57.89 1p7o n HIS 117 Cb 0.45 -4.26 -0.04 0.00 1.12 0.00 0.00 29.99 27.26 1p7o n HIS 117 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1p7o s PHE 118 N -3.59 3.62 -0.33 4.41 5.36 -1.20 -4.95 117.98 121.29 1p7o s PHE 118 Ca 0.13 1.67 -0.28 0.00 -0.96 0.00 0.00 56.93 57.49 1p7o s PHE 118 Cb -0.03 -3.26 -0.02 0.00 -0.34 0.00 0.00 43.02 39.37 1p7o s PHE 118 CO 0.81 -0.49 1.87 1.21 -1.46 0.00 0.00 175.22 177.15 1p7o s ASN 119 N -0.57 5.77 0.00 6.13 3.04 -1.26 -4.86 114.94 123.19 1p7o s ASN 119 Ca 0.46 1.32 0.18 0.00 0.04 0.00 0.00 52.86 54.87 1p7o s ASN 119 Cb -0.30 -2.52 1.02 0.00 -1.54 0.00 0.00 41.25 37.90 1p7o s ASN 119 CO 0.38 -1.80 1.53 0.54 -3.04 0.00 0.00 177.10 174.70 1p7o n ARG 120 N 8.52 0.43 0.13 0.43 1.74 -1.26 -2.33 116.66 124.33 1p7o n ARG 120 Ca 0.24 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.50 1p7o n ARG 120 Cb 0.47 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.89 1p7o n ARG 120 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1p7o h GLN 121 N 0.00 0.00 -0.01 5.56 4.20 -2.01 -1.85 115.11 121.01 1p7o h GLN 121 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1p7o h GLN 121 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1p7o h GLN 121 CO 0.00 0.00 -0.21 1.28 -0.67 0.00 0.00 178.83 179.23 1p7o n LEU 122 N -2.30 0.87 -2.11 1.46 4.77 -0.98 -4.36 117.00 114.34 1p7o n LEU 122 Ca 0.03 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 1p7o n LEU 122 Cb 0.28 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1p7o n LEU 122 CO 0.22 0.16 1.42 0.00 -1.33 0.00 0.00 177.39 177.87