#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 0.00 -0.39 -4.53 3.38 -1.49 0.82 115.31 113.10 1p7o h LEU 2 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1p7o h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1p7o h LEU 2 CO 0.00 0.00 -0.61 -0.07 0.09 0.00 0.00 178.44 177.85 1p7o h LEU 3 N 0.00 0.74 -0.70 1.67 3.38 -1.96 -1.42 115.31 117.02 1p7o h LEU 3 Ca 0.29 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1p7o h LEU 3 Cb 1.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1p7o h LEU 3 CO -0.00 1.18 0.19 1.56 0.09 0.00 0.00 178.44 181.45 1p7o h GLN 4 N 0.49 1.11 -0.46 1.13 4.20 -1.30 -2.17 115.11 118.11 1p7o h GLN 4 Ca -0.00 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.47 1p7o h GLN 4 Cb 1.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1p7o h GLN 4 CO 0.12 0.98 0.26 0.35 -0.67 0.00 0.00 178.83 179.87 1p7o h PHE 5 N 1.05 0.49 -0.41 2.96 3.57 -0.88 -0.76 116.94 122.96 1p7o h PHE 5 Ca 0.22 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.79 1p7o h PHE 5 Cb 0.35 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1p7o h PHE 5 CO 0.03 0.27 0.15 -0.09 -2.23 0.00 0.00 178.31 176.44 1p7o h ARG 6 N 0.53 0.31 0.00 1.11 2.43 -0.96 -1.25 114.38 116.56 1p7o h ARG 6 Ca 0.19 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1p7o h ARG 6 Cb 0.04 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1p7o h ARG 6 CO -0.10 0.21 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.57 1p7o h ASN 7 N 0.32 0.00 0.54 -3.80 2.35 -0.79 -1.28 115.58 112.92 1p7o h ASN 7 Ca 0.19 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 1p7o h ASN 7 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1p7o h ASN 7 CO -0.18 0.09 -0.71 0.24 -1.65 0.00 0.00 177.43 175.22 1p7o h MET 8 N 0.00 0.14 -0.22 0.81 2.86 0.03 -2.41 114.93 116.14 1p7o h MET 8 Ca -0.00 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 1p7o h MET 8 Cb 0.37 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1p7o h MET 8 CO 0.01 0.79 -0.46 0.82 1.06 0.00 0.00 176.91 179.14 1p7o h ILE 9 N 0.09 1.31 -0.45 -1.22 1.08 -0.73 -2.88 117.51 114.71 1p7o h ILE 9 Ca -0.02 -1.68 0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1p7o h ILE 9 Cb 1.26 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 1p7o h ILE 9 CO 0.10 0.53 0.30 0.11 -0.69 0.00 0.00 178.15 178.50 1p7o h LYS 10 N 0.40 0.57 0.03 2.37 1.57 -1.31 0.66 116.57 120.87 1p7o h LYS 10 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1p7o h LYS 10 Cb 1.06 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1p7o h LYS 10 CO 0.10 0.38 -0.02 0.00 -0.57 0.00 0.00 179.45 179.34 1p7o n THR 12 N -5.02 0.38 -3.22 0.00 -2.24 -1.04 -4.40 114.28 98.74 1p7o n THR 12 Ca -0.08 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 1p7o n THR 12 Cb 0.13 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 1p7o n THR 12 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1p7o n ILE 13 N -2.07 -0.74 0.11 2.28 5.41 0.23 -4.82 119.36 119.75 1p7o n ILE 13 Ca 0.04 -3.94 0.16 0.00 1.00 0.00 0.00 62.75 60.01 1p7o n ILE 13 Cb 0.42 -1.92 0.68 0.00 -0.71 0.00 0.00 39.64 38.12 1p7o n ILE 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1p7o h PRO 14 N 4.23 0.00 -0.36 0.38 0.11 -1.53 -2.74 132.00 132.09 1p7o h PRO 14 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1p7o h PRO 14 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1p7o h PRO 14 CO 0.45 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.65 1p7o n GLY 15 N -1.59 0.04 3.17 -0.55 0.00 -1.26 -4.84 105.19 100.16 1p7o n GLY 15 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1p7o n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p7o s ARG 16 N -1.58 0.70 -0.45 1.61 0.52 -1.03 -5.10 118.95 113.62 1p7o s ARG 16 Ca 0.00 -0.71 -0.17 0.00 -0.52 0.00 0.00 55.73 54.33 1p7o s ARG 16 Cb 0.00 0.29 0.04 0.00 0.52 0.00 0.00 34.95 35.80 1p7o s ARG 16 CO 0.00 -0.20 0.46 -2.00 0.02 0.00 0.00 175.30 173.58 1p7o s GLU 17 N -2.80 3.06 0.49 3.54 2.56 -1.26 -4.80 118.70 119.49 1p7o s GLU 17 Ca -0.03 -0.95 0.33 0.00 0.00 0.00 0.00 54.97 54.32 1p7o s GLU 17 Cb 0.00 -4.04 1.45 0.00 2.00 0.00 0.00 34.13 33.54 1p7o s GLU 17 CO -0.05 -0.97 1.72 -1.35 -0.56 0.00 0.00 175.26 174.05 1p7o h PRO 18 N 8.79 0.11 0.00 4.30 0.11 -1.92 -0.33 132.00 143.05 1p7o h PRO 18 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1p7o h PRO 18 Cb 1.11 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1p7o h PRO 18 CO 0.85 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.99 1p7o n LEU 19 N -4.36 0.00 -0.01 2.35 4.77 -1.26 -1.39 117.00 117.09 1p7o n LEU 19 Ca 0.31 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.70 1p7o n LEU 19 Cb 1.33 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.97 1p7o n LEU 19 CO 0.33 -0.02 -0.66 0.18 -1.33 0.00 0.00 177.39 175.89 1p7o n LEU 20 N -1.37 0.00 -0.09 2.23 4.77 -0.16 -4.22 117.00 118.16 1p7o n LEU 20 Ca 0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 1p7o n LEU 20 Cb 0.26 0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1p7o n LEU 20 CO 0.23 0.04 -1.11 0.00 -1.33 0.00 0.00 177.39 175.22 1p7o n ALA 21 N -1.96 1.42 -0.37 -1.18 0.00 -1.04 -4.66 120.51 112.72 1p7o n ALA 21 Ca -0.04 -1.13 0.03 0.00 0.00 0.00 0.00 53.44 52.30 1p7o n ALA 21 Cb 0.37 -0.28 0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 -3.02 0.00 -0.03 0.00 3.72 -0.49 -4.59 117.46 113.05 1p7o n PHE 22 Ca -0.35 -0.62 -0.15 0.00 -0.05 0.00 0.00 57.45 56.28 1p7o n PHE 22 Cb 1.08 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.35 -1.31 4.37 0.02 -1.73 -3.26 113.55 111.98 1p7o h SER 23 Ca 0.00 -0.65 -0.45 0.00 -0.84 0.00 0.00 61.79 59.84 1p7o h SER 23 Cb 0.67 -0.10 -0.41 0.00 0.14 0.00 0.00 62.40 62.70 1p7o h SER 23 CO 0.00 0.94 -1.02 0.59 -1.14 0.00 0.00 176.83 176.20 1p7o n ASN 24 N -4.47 2.57 -4.71 3.07 3.02 -1.26 -3.49 115.26 110.00 1p7o n ASN 24 Ca -0.08 -3.10 -0.35 0.00 -0.03 0.00 0.00 54.58 51.01 1p7o n ASN 24 Cb 0.48 -0.52 -0.09 0.00 -0.61 0.00 0.00 39.78 39.05 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 -3.21 3.34 0.00 3.10 6.14 -1.22 0.21 117.35 125.71 1p7o s TYR 25 Ca 0.36 0.23 0.00 0.00 0.64 0.00 0.00 57.07 58.30 1p7o s TYR 25 Cb 0.42 -2.02 0.00 0.00 0.42 0.00 0.00 41.96 40.79 1p7o s TYR 25 CO -0.05 0.35 0.00 0.41 0.64 0.00 0.00 175.55 176.90 1p7o n GLY 26 N 2.97 2.11 0.01 8.97 0.00 -0.44 -2.54 105.19 116.26 1p7o n GLY 26 Ca -0.18 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.88 0.00 -2.22 0.00 4.02 -1.26 -2.48 117.16 113.35 1p7o n TYR 28 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 1p7o n TYR 28 Cb 0.38 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.60 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 3.75 -1.89 3.62 0.00 0.00 -1.23 -3.40 105.19 106.05 1p7o n GLY 30 Ca 0.14 -2.10 -0.52 0.00 0.00 0.00 0.00 46.02 43.55 1p7o n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p7o n LYS 31 N -0.02 1.29 -0.42 1.61 5.02 -1.26 -4.43 118.16 119.95 1p7o n LYS 31 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1p7o n LYS 31 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 1p7o n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p7o n GLY 32 N 2.89 0.00 3.67 0.72 0.00 -1.26 -5.00 105.19 106.20 1p7o n GLY 32 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.92 0.33 -0.02 0.00 -1.26 -4.95 107.32 103.34 1p7o s GLY 33 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 44.72 42.73 1p7o s GLY 33 CO 0.00 -1.81 0.69 -1.35 0.00 0.00 0.00 173.10 170.63 1p7o s SER 34 N -3.75 0.02 0.08 1.64 1.04 -1.03 -4.94 113.70 106.75 1p7o s SER 34 Ca 0.35 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1p7o s SER 34 Cb -0.03 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1p7o s SER 34 CO 0.21 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.57 1p7o n GLY 35 N -0.49 -0.75 3.50 7.32 0.00 -1.26 -4.73 105.19 108.78 1p7o n GLY 35 Ca -0.05 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1p7o n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p7o s THR 36 N 0.00 3.04 0.57 2.61 -4.23 -1.03 -5.01 115.64 111.59 1p7o s THR 36 Ca 0.00 -1.17 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 1p7o s THR 36 Cb 0.00 -2.33 -0.07 0.00 1.34 0.00 0.00 72.50 71.44 1p7o s THR 36 CO 0.00 0.28 0.80 -2.65 -0.54 0.00 0.00 174.62 172.50 1p7o n PRO 37 N 1.30 0.79 0.05 3.99 -0.02 -1.26 -4.81 135.00 135.05 1p7o n PRO 37 Ca -0.15 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.62 1p7o n PRO 37 Cb 0.52 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 1p7o n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1p7o h VAL 38 N 0.51 0.66 -2.13 -1.45 -1.51 -1.96 -3.48 116.25 106.90 1p7o h VAL 38 Ca -0.47 -2.17 -0.00 0.00 -1.23 0.00 0.00 66.70 62.83 1p7o h VAL 38 Cb 1.38 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 1p7o h VAL 38 CO 0.50 0.38 0.05 -0.90 -1.23 0.00 0.00 177.57 176.37 1p7o n ASP 39 N -2.99 -0.39 -0.26 4.19 5.68 -1.26 -5.01 116.55 116.51 1p7o n ASP 39 Ca -0.07 -1.26 -0.01 0.00 -0.50 0.00 0.00 54.79 52.94 1p7o n ASP 39 Cb 0.84 0.65 0.11 0.00 -1.14 0.00 0.00 41.12 41.57 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 0.77 -0.11 0.11 4.81 -1.95 -0.57 114.58 117.64 1p7o h GLU 40 Ca -0.06 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1p7o h GLU 40 Cb 0.21 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1p7o h GLU 40 CO 0.07 0.51 0.03 1.25 -0.73 0.00 0.00 179.01 180.14 1p7o h LEU 41 N 0.79 0.15 -1.16 1.64 6.46 -1.91 -1.56 115.31 119.71 1p7o h LEU 41 Ca 0.32 -0.21 0.08 0.00 -0.12 0.00 0.00 57.88 57.95 1p7o h LEU 41 Cb 0.16 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 1p7o h LEU 41 CO -0.17 0.32 0.58 -0.78 -0.62 0.00 0.00 178.44 177.78 1p7o h ASP 42 N -0.02 0.86 -0.59 1.25 -0.00 -1.82 -0.50 116.42 115.60 1p7o h ASP 42 Ca 0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 57.03 57.04 1p7o h ASP 42 Cb 0.22 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.36 1p7o h ASP 42 CO -0.00 0.54 0.23 -0.09 -0.00 0.00 0.00 179.24 179.92 1p7o h ARG 43 N 0.97 0.88 -0.90 0.28 2.43 -0.74 -1.25 114.38 116.04 1p7o h ARG 43 Ca 0.40 -0.16 0.16 0.00 -0.81 0.00 0.00 59.98 59.57 1p7o h ARG 43 Cb 0.29 -0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.60 1p7o h ARG 43 CO -0.16 0.76 0.50 0.00 -1.51 0.00 0.00 179.97 179.55 1p7o h GLN 46 N 0.68 0.39 -0.87 0.00 4.15 -0.08 -0.28 115.11 119.11 1p7o h GLN 46 Ca 0.07 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1p7o h GLN 46 Cb 0.86 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 1p7o h GLN 46 CO 0.08 0.35 0.45 1.15 -1.93 0.00 0.00 178.83 178.92 1p7o h THR 47 N 0.33 1.26 0.14 2.39 2.02 -0.76 -1.91 112.91 116.37 1p7o h THR 47 Ca 0.10 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1p7o h THR 47 Cb 0.07 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1p7o h THR 47 CO -0.02 0.30 -0.18 -0.74 0.37 0.00 0.00 175.52 175.25 1p7o h HIS 48 N 1.22 -0.48 -0.73 3.16 -0.00 -0.48 -0.77 115.15 117.07 1p7o h HIS 48 Ca 0.30 0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.84 1p7o h HIS 48 Cb 0.07 0.19 -0.11 0.00 -0.00 0.00 0.00 27.41 27.57 1p7o h HIS 48 CO 0.01 -0.27 0.17 -0.44 -0.00 0.00 0.00 177.93 177.40 1p7o h ASP 49 N -0.37 -0.01 -0.64 3.26 3.45 -0.53 -0.08 116.42 121.50 1p7o h ASP 49 Ca 0.02 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 1p7o h ASP 49 Cb 0.37 0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.32 1p7o h ASP 49 CO -0.08 -0.05 0.36 -1.13 -1.57 0.00 0.00 179.24 176.78 1p7o h ASN 50 N 0.26 0.79 -0.64 6.45 -0.00 -0.67 -0.28 115.58 121.50 1p7o h ASN 50 Ca 0.41 -0.08 0.03 0.00 -0.00 0.00 0.00 56.30 56.66 1p7o h ASN 50 Cb 0.70 -0.20 -0.04 0.00 -0.00 0.00 0.00 38.32 38.78 1p7o h ASN 50 CO -0.52 0.65 0.39 0.00 -0.00 0.00 0.00 177.43 177.95 1p7o h TYR 52 N 0.76 0.88 -0.97 0.00 -1.99 -0.82 0.15 116.97 114.99 1p7o h TYR 52 Ca 0.26 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.89 1p7o h TYR 52 Cb 0.03 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 38.47 1p7o h TYR 52 CO -0.05 0.78 0.64 -0.44 -0.00 0.00 0.00 178.16 179.08 1p7o h ASP 53 N 0.79 1.11 -0.22 3.88 3.45 0.75 -2.06 116.42 124.11 1p7o h ASP 53 Ca 0.16 -0.03 -0.20 0.00 0.43 0.00 0.00 57.03 57.39 1p7o h ASP 53 Cb 0.40 -0.28 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1p7o h ASP 53 CO 0.01 0.81 -0.64 0.11 -1.57 0.00 0.00 179.24 177.96 1p7o h LYS 54 N 1.31 0.83 -0.81 3.56 1.57 -0.03 -3.22 116.57 119.77 1p7o h LYS 54 Ca 0.35 -0.59 0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1p7o h LYS 54 Cb -0.15 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.18 1p7o h LYS 54 CO -0.08 1.21 0.43 0.00 -0.57 0.00 0.00 179.45 180.45 1p7o h ALA 55 N 0.61 1.18 -0.52 3.86 0.00 -0.08 0.21 119.26 124.53 1p7o h ALA 55 Ca -0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1p7o h ALA 55 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1p7o h ALA 55 CO 0.14 -0.02 0.16 0.93 0.00 0.00 0.00 179.25 180.46 1p7o h GLU 56 N 0.68 0.77 -0.01 0.00 5.08 -1.41 -2.66 114.58 117.03 1p7o h GLU 56 Ca 0.42 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1p7o h GLU 56 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1p7o h GLU 56 CO -0.31 0.67 -0.28 1.63 -1.00 0.00 0.00 179.01 179.73 1p7o n LYS 57 N -4.31 0.61 -1.88 2.33 5.02 -0.32 -4.90 118.16 114.70 1p7o n LYS 57 Ca 0.04 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 1p7o n LYS 57 Cb 0.19 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1p7o n LYS 57 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1p7o s LEU 58 N -2.62 4.37 0.43 -0.35 2.96 -0.09 -4.89 118.68 118.49 1p7o s LEU 58 Ca 0.22 2.76 0.09 0.00 -0.22 0.00 0.00 54.13 56.98 1p7o s LEU 58 Cb 0.19 -3.61 0.94 0.00 0.50 0.00 0.00 46.19 44.20 1p7o s LEU 58 CO 0.55 -0.84 2.06 -0.65 -1.32 0.00 0.00 176.35 176.16 1p7o h PRO 59 N 5.76 0.45 0.00 0.98 0.11 -1.90 -1.97 132.00 135.42 1p7o h PRO 59 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1p7o h PRO 59 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1p7o h PRO 59 CO 0.85 0.30 0.00 0.93 -0.21 0.00 0.00 178.00 179.86 1p7o h GLU 60 N 0.46 0.00 -5.44 1.05 3.07 -1.94 -3.41 114.58 108.38 1p7o h GLU 60 Ca 0.14 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.35 1p7o h GLU 60 Cb 0.02 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.77 1p7o h GLU 60 CO -0.03 0.00 0.16 0.00 -1.40 0.00 0.00 179.01 177.74 1p7o s LYS 62 N 2.91 0.91 0.00 0.00 -2.85 -1.26 -4.83 119.74 114.62 1p7o s LYS 62 Ca 0.23 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 1p7o s LYS 62 Cb -0.14 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1p7o s LYS 62 CO 0.19 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.74 1p7o n GLY 63 N 0.41 0.15 3.77 0.59 0.00 -1.26 -4.70 105.19 104.14 1p7o n GLY 63 Ca -0.18 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.20 2.30 -1.64 -0.61 1.09 -1.26 -3.02 121.20 115.86 1p7o s ILE 64 Ca 0.00 0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.82 1p7o s ILE 64 Cb 0.00 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 1p7o s ILE 64 CO 0.00 0.04 0.00 0.18 -0.10 0.00 0.00 174.94 175.06 1p7o n LEU 65 N -0.09 -1.73 -0.88 2.97 4.77 -1.26 -4.86 117.00 115.93 1p7o n LEU 65 Ca 0.05 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1p7o n LEU 65 Cb 0.43 -2.75 0.26 0.00 -2.33 0.00 0.00 43.42 39.03 1p7o n LEU 65 CO 0.57 -0.26 0.72 -1.54 -1.33 0.00 0.00 177.39 175.55 1p7o n SER 66 N -1.90 2.67 -4.80 -1.43 3.41 -1.17 -3.22 113.62 107.19 1p7o n SER 66 Ca -0.22 -1.87 -0.34 0.00 -0.26 0.00 0.00 58.87 56.18 1p7o n SER 66 Cb 0.67 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.74 2.49 0.48 5.00 0.00 -1.26 -4.69 107.32 107.59 1p7o s GLY 67 Ca 0.34 0.59 0.25 0.00 0.00 0.00 0.00 44.72 45.90 1p7o s GLY 67 CO 0.30 0.91 1.88 -2.55 0.00 0.00 0.00 173.10 173.64 1p7o h PRO 68 N 1.49 0.18 -0.30 2.90 0.11 -1.92 0.41 132.00 134.86 1p7o h PRO 68 Ca -0.49 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1p7o h PRO 68 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1p7o h PRO 68 CO 0.59 0.12 -0.33 1.88 -0.21 0.00 0.00 178.00 180.04 1p7o h TYR 69 N 0.18 0.78 0.00 0.65 -1.99 -1.94 -3.35 116.97 111.29 1p7o h TYR 69 Ca 0.44 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1p7o h TYR 69 Cb 1.43 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1p7o h TYR 69 CO -0.00 0.91 -0.28 1.19 -0.00 0.00 0.00 178.16 179.99 1p7o n PHE 70 N -4.06 0.00 -2.27 4.88 3.72 -0.73 -1.81 117.46 117.18 1p7o n PHE 70 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1p7o n PHE 70 Cb 0.49 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 1p7o n PHE 70 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1p7o s ASN 71 N -1.37 6.76 -0.24 4.37 3.04 0.14 -4.62 114.94 123.00 1p7o s ASN 71 Ca 0.00 1.77 -0.22 0.00 0.04 0.00 0.00 52.86 54.45 1p7o s ASN 71 Cb 0.01 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.17 1p7o s ASN 71 CO 0.08 -0.91 0.72 -0.89 -3.04 0.00 0.00 177.10 173.06 1p7o s THR 72 N 3.99 4.92 0.54 -5.21 2.01 -1.26 -0.07 115.64 120.55 1p7o s THR 72 Ca 0.62 1.34 0.07 0.00 0.31 0.00 0.00 61.69 64.03 1p7o s THR 72 Cb -0.25 -4.02 0.04 0.00 0.01 0.00 0.00 72.50 68.29 1p7o s THR 72 CO 0.22 -0.01 0.50 -0.72 -0.69 0.00 0.00 174.62 173.91 1p7o s TYR 73 N 2.61 1.69 -0.16 4.92 -0.85 -1.26 -4.91 117.35 119.38 1p7o s TYR 73 Ca 0.30 -0.77 -0.04 0.00 -0.52 0.00 0.00 57.07 56.05 1p7o s TYR 73 Cb -0.15 -2.02 -0.02 0.00 0.38 0.00 0.00 41.96 40.14 1p7o s TYR 73 CO 0.08 -0.61 -0.04 -1.54 -1.52 0.00 0.00 175.55 171.93 1p7o s SER 74 N -4.36 4.72 0.31 -0.18 1.04 -1.26 -4.96 113.70 109.01 1p7o s SER 74 Ca 0.43 -0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 1p7o s SER 74 Cb -0.03 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.32 1p7o s SER 74 CO 0.26 0.14 0.53 -0.72 0.98 0.00 0.00 173.24 174.43 1p7o s TYR 75 N 0.53 0.60 -0.06 5.02 -0.85 -1.26 -1.58 117.35 119.74 1p7o s TYR 75 Ca -0.03 -0.96 -0.07 0.00 -0.52 0.00 0.00 57.07 55.49 1p7o s TYR 75 Cb -0.14 0.19 0.02 0.00 0.38 0.00 0.00 41.96 42.40 1p7o s TYR 75 CO 0.03 -1.14 0.20 0.34 -1.52 0.00 0.00 175.55 173.45 1p7o s ASP 76 N -3.11 -0.17 -0.28 -0.18 -1.08 0.17 -4.89 116.67 107.14 1p7o s ASP 76 Ca 0.24 0.28 0.03 0.00 -0.52 0.00 0.00 52.55 52.58 1p7o s ASP 76 Cb -0.01 0.37 0.07 0.00 -1.46 0.00 0.00 42.92 41.89 1p7o s ASP 76 CO 0.14 -0.14 -0.06 0.00 0.52 0.00 0.00 175.17 175.63 1p7o s THR 78 N 1.10 0.96 -1.52 0.00 -4.23 -1.26 -4.80 115.64 105.89 1p7o s THR 78 Ca -0.03 -0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.99 1p7o s THR 78 Cb -0.20 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1p7o s THR 78 CO -0.06 0.16 0.27 0.47 -0.54 0.00 0.00 174.62 174.92 1p7o n ASP 79 N 4.93 -5.59 -0.45 3.99 8.00 -1.26 -3.03 116.55 123.15 1p7o n ASP 79 Ca -0.11 -0.14 -0.05 0.00 0.71 0.00 0.00 54.79 55.21 1p7o n ASP 79 Cb 0.48 -4.53 -0.01 0.00 -0.02 0.00 0.00 41.12 37.05 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 -1.23 0.42 0.09 0.44 0.00 -1.26 -4.99 105.19 98.66 1p7o n GLY 80 Ca -0.17 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1p7o n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p7o n LYS 81 N -2.06 0.53 -0.55 1.61 4.76 -1.17 -4.61 118.16 116.68 1p7o n LYS 81 Ca -0.05 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1p7o n LYS 81 Cb 0.37 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1p7o n LYS 81 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1p7o n LEU 82 N -4.44 -1.48 -3.96 -0.35 4.77 -1.21 -4.99 117.00 105.33 1p7o n LEU 82 Ca -0.17 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 1p7o n LEU 82 Cb 0.54 -0.74 -0.17 0.00 -2.33 0.00 0.00 43.42 40.73 1p7o n LEU 82 CO 0.20 0.00 -0.45 -0.89 -1.33 0.00 0.00 177.39 174.92 1p7o s THR 83 N 0.00 1.01 -0.42 -5.08 2.01 0.48 -4.95 115.64 108.69 1p7o s THR 83 Ca 0.00 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 1p7o s THR 83 Cb 0.00 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.55 1p7o s THR 83 CO 0.00 0.34 0.85 0.00 -0.69 0.00 0.00 174.62 175.12 1p7o n ASN 85 N 6.82 5.21 -4.80 0.00 3.02 -0.62 -4.94 115.26 119.95 1p7o n ASN 85 Ca 0.04 -2.83 -0.38 0.00 -0.03 0.00 0.00 54.58 51.38 1p7o n ASN 85 Cb 0.48 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1p7o n ASN 85 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1p7o s ASP 86 N -0.69 7.20 0.00 6.41 1.01 -1.24 -4.92 116.67 124.45 1p7o s ASP 86 Ca 0.48 1.47 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1p7o s ASP 86 Cb 0.37 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.86 1p7o s ASP 86 CO 0.14 0.18 0.00 0.00 0.21 0.00 0.00 175.17 175.70 1p7o n GLN 87 N 1.40 0.00 0.07 8.23 6.02 -1.26 -4.83 117.38 127.00 1p7o n GLN 87 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.82 1p7o n GLN 87 Cb 0.50 -0.36 -0.02 0.00 1.02 0.00 0.00 30.24 31.38 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 0.44 -3.16 1.08 2.35 -2.04 -3.40 115.58 110.85 1p7o h ASN 88 Ca 0.00 -0.34 -0.73 0.00 -0.55 0.00 0.00 56.30 54.68 1p7o h ASN 88 Cb 0.26 -0.13 -0.22 0.00 0.05 0.00 0.00 38.32 38.28 1p7o h ASN 88 CO 0.00 1.13 -0.17 -0.62 -1.65 0.00 0.00 177.43 176.11 1p7o s ASP 89 N -7.02 6.18 0.37 5.81 3.68 -1.26 -4.90 116.67 119.53 1p7o s ASP 89 Ca -0.05 -1.45 0.18 0.00 2.13 0.00 0.00 52.55 53.36 1p7o s ASP 89 Cb 0.09 -2.22 0.70 0.00 -1.45 0.00 0.00 42.92 40.04 1p7o s ASP 89 CO 0.85 -0.82 1.75 0.11 0.13 0.00 0.00 175.17 177.19 1p7o h LYS 90 N 8.90 0.00 0.10 4.34 1.57 -1.89 -1.58 116.57 128.00 1p7o h LYS 90 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1p7o h LYS 90 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1p7o h LYS 90 CO 0.98 0.39 -0.05 0.00 -0.57 0.00 0.00 179.45 180.20 1p7o h LYS 92 N -0.51 0.80 -0.43 0.00 1.57 -1.90 -1.22 116.57 114.87 1p7o h LYS 92 Ca -0.01 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1p7o h LYS 92 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1p7o h LYS 92 CO 0.02 0.73 -0.05 1.25 -0.57 0.00 0.00 179.45 180.83 1p7o h LEU 93 N 0.77 0.71 0.33 2.94 5.85 -1.20 -0.67 115.31 124.03 1p7o h LEU 93 Ca 0.17 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1p7o h LEU 93 Cb 0.31 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1p7o h LEU 93 CO 0.00 0.81 -0.16 0.15 -0.34 0.00 0.00 178.44 178.90 1p7o h PHE 94 N 0.68 -0.41 -0.77 1.25 3.57 -0.47 -2.59 116.94 118.20 1p7o h PHE 94 Ca 0.13 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1p7o h PHE 94 Cb 0.50 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 1p7o h PHE 94 CO 0.02 -0.08 0.40 0.82 -2.23 0.00 0.00 178.31 177.25 1p7o h ILE 95 N -0.86 0.83 -0.76 1.41 5.03 -1.23 -0.96 117.51 120.98 1p7o h ILE 95 Ca -0.05 -0.22 0.08 0.00 -0.12 0.00 0.00 64.86 64.55 1p7o h ILE 95 Cb 0.53 0.13 -0.07 0.00 -3.03 0.00 0.00 36.82 34.38 1p7o h ILE 95 CO 0.08 0.12 0.42 0.00 -0.68 0.00 0.00 178.15 178.09 1p7o h ASN 97 N 0.73 0.84 -0.63 0.00 2.35 -0.79 0.80 115.58 118.87 1p7o h ASN 97 Ca 0.36 -0.24 0.10 0.00 -0.55 0.00 0.00 56.30 55.97 1p7o h ASN 97 Cb 0.30 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.37 1p7o h ASN 97 CO -0.23 0.95 0.23 0.00 -1.65 0.00 0.00 177.43 176.72 1p7o h ASP 99 N 0.40 0.75 -0.24 0.00 3.32 -0.96 -2.09 116.42 117.61 1p7o h ASP 99 Ca 0.32 -0.53 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 1p7o h ASP 99 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1p7o h ASP 99 CO -0.33 1.32 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.37 1p7o h ARG 100 N 0.39 0.45 -0.20 3.56 2.43 -0.46 -0.96 114.38 119.59 1p7o h ARG 100 Ca -0.07 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1p7o h ARG 100 Cb 1.47 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1p7o h ARG 100 CO 0.16 0.67 0.11 1.15 -1.51 0.00 0.00 179.97 180.55 1p7o h THR 101 N 0.19 1.12 -0.64 0.20 2.02 -0.73 -1.44 112.91 113.63 1p7o h THR 101 Ca 0.06 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1p7o h THR 101 Cb 0.50 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1p7o h THR 101 CO 0.02 0.12 0.12 0.00 0.37 0.00 0.00 175.52 176.15 1p7o h ALA 102 N 0.98 0.85 -0.69 6.16 0.00 -1.39 -1.02 119.26 124.16 1p7o h ALA 102 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p7o h ALA 102 Cb 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1p7o h ALA 102 CO -0.01 0.60 0.44 0.00 0.00 0.00 0.00 179.25 180.28 1p7o h ALA 103 N 1.04 0.87 -0.01 0.00 0.00 -0.93 0.24 119.26 120.47 1p7o h ALA 103 Ca 0.20 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1p7o h ALA 103 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1p7o h ALA 103 CO 0.01 0.32 -0.67 0.52 0.00 0.00 0.00 179.25 179.43 1p7o h MET 104 N 0.93 0.07 -0.40 0.00 2.86 -1.15 -2.80 114.93 114.44 1p7o h MET 104 Ca 0.25 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.70 1p7o h MET 104 Cb -0.08 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1p7o h MET 104 CO -0.05 0.71 -0.30 0.00 1.06 0.00 0.00 176.91 178.33 1p7o h PHE 106 N 0.74 0.81 -0.16 0.00 -1.00 -0.40 -2.93 116.94 114.00 1p7o h PHE 106 Ca 0.08 0.01 -0.20 0.00 2.81 0.00 0.00 57.97 60.67 1p7o h PHE 106 Cb 0.86 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1p7o h PHE 106 CO 0.05 0.54 -0.71 0.00 -1.61 0.00 0.00 178.31 176.58 1p7o h ALA 107 N 1.21 0.46 -0.30 2.45 0.00 -1.33 -3.17 119.26 118.56 1p7o h ALA 107 Ca 0.23 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1p7o h ALA 107 Cb -0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1p7o h ALA 107 CO -0.05 0.71 0.24 1.17 0.00 0.00 0.00 179.25 181.32 1p7o n LYS 108 N -3.92 1.45 -3.78 0.00 4.81 -0.23 -4.83 118.16 111.66 1p7o n LYS 108 Ca -0.06 -0.96 -0.12 0.00 -0.87 0.00 0.00 58.31 56.31 1p7o n LYS 108 Cb 0.70 -1.38 -0.08 0.00 0.02 0.00 0.00 35.03 34.30 1p7o n LYS 108 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1p7o s ALA 109 N -1.09 -0.61 0.70 3.14 0.00 -1.14 -4.95 121.76 117.82 1p7o s ALA 109 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1p7o s ALA 109 Cb 0.15 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1p7o s ALA 109 CO 0.01 -0.35 1.11 -2.14 0.00 0.00 0.00 175.76 174.39 1p7o s PRO 110 N -2.21 2.56 -0.09 0.00 0.02 -1.26 -4.96 135.00 129.07 1p7o s PRO 110 Ca -0.08 1.35 0.04 0.00 0.02 0.00 0.00 61.00 62.33 1p7o s PRO 110 Cb -0.02 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1p7o s PRO 110 CO -0.01 -1.44 -0.20 -0.47 -0.33 0.00 0.00 177.00 174.55 1p7o s TYR 111 N -2.49 2.18 -0.29 6.54 5.04 -1.26 -4.44 117.35 122.63 1p7o s TYR 111 Ca 0.66 -0.86 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 1p7o s TYR 111 Cb -0.20 -1.48 0.08 0.00 0.35 0.00 0.00 41.96 40.70 1p7o s TYR 111 CO 0.46 -0.36 -0.01 1.21 -1.34 0.00 0.00 175.55 175.51 1p7o s ASN 112 N 0.41 4.32 0.62 4.32 3.84 -1.26 -4.97 114.94 122.21 1p7o s ASN 112 Ca -0.17 -1.62 0.28 0.00 0.21 0.00 0.00 52.86 51.56 1p7o s ASN 112 Cb -0.17 -1.37 1.45 0.00 -0.55 0.00 0.00 41.25 40.61 1p7o s ASN 112 CO 0.07 -0.30 1.85 -0.33 -2.79 0.00 0.00 177.10 175.60 1p7o h GLU 113 N 7.81 0.00 0.00 0.43 4.39 -1.99 0.20 114.58 125.43 1p7o h GLU 113 Ca -0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1p7o h GLU 113 Cb 1.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1p7o h GLU 113 CO 0.47 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 178.30 1p7o h ALA 114 N 1.34 1.00 -0.01 3.43 0.00 -2.02 -2.71 119.26 120.30 1p7o h ALA 114 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p7o h ALA 114 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1p7o h ALA 114 CO -0.00 0.02 -0.41 0.66 0.00 0.00 0.00 179.25 179.52 1p7o n TYR 115 N -3.12 0.00 -2.49 0.00 0.53 0.71 -4.85 117.16 107.95 1p7o n TYR 115 Ca 0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.52 1p7o n TYR 115 Cb 0.32 -0.03 -0.03 0.00 -1.03 0.00 0.00 39.34 38.57 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 -2.46 6.59 -1.33 7.72 2.47 -1.02 -1.33 114.94 125.57 1p7o s ASN 116 Ca 0.20 2.08 -0.02 0.00 0.42 0.00 0.00 52.86 55.54 1p7o s ASN 116 Cb 0.18 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1p7o s ASN 116 CO 0.55 -0.61 0.59 1.41 -3.72 0.00 0.00 177.10 175.31 1p7o n HIS 117 N -0.27 -1.80 -2.47 0.43 8.25 0.13 -4.89 115.22 114.60 1p7o n HIS 117 Ca 0.06 0.76 -0.38 0.00 -0.26 0.00 0.00 57.72 57.90 1p7o n HIS 117 Cb 0.50 -4.02 -0.04 0.00 1.12 0.00 0.00 29.99 27.55 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 -3.77 3.37 -0.76 4.41 5.36 -1.14 -4.98 117.98 120.48 1p7o s PHE 118 Ca 0.05 1.66 -0.27 0.00 -0.96 0.00 0.00 56.93 57.41 1p7o s PHE 118 Cb -0.02 -3.24 0.03 0.00 -0.34 0.00 0.00 43.02 39.45 1p7o s PHE 118 CO 0.85 -0.70 1.35 1.21 -1.46 0.00 0.00 175.22 176.46 1p7o s ASN 119 N -1.19 6.11 0.01 6.13 3.04 -1.26 -4.86 114.94 122.92 1p7o s ASN 119 Ca 0.52 -0.47 0.10 0.00 0.04 0.00 0.00 52.86 53.05 1p7o s ASN 119 Cb -0.28 -2.56 0.45 0.00 -1.54 0.00 0.00 41.25 37.32 1p7o s ASN 119 CO 0.35 -1.86 1.33 0.54 -3.04 0.00 0.00 177.10 174.42 1p7o n ARG 120 N 9.32 0.01 0.13 0.43 1.74 -1.26 -1.91 116.66 125.11 1p7o n ARG 120 Ca 0.07 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.61 1p7o n ARG 120 Cb 0.49 -1.52 0.50 0.00 -1.02 0.00 0.00 32.46 30.91 1p7o n ARG 120 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1p7o n GLN 121 N -1.54 0.18 -0.33 5.56 6.02 -1.26 -1.31 117.38 124.71 1p7o n GLN 121 Ca 0.02 0.45 0.08 0.00 -0.01 0.00 0.00 57.00 57.54 1p7o n GLN 121 Cb 0.12 -1.87 0.24 0.00 1.02 0.00 0.00 30.24 29.74 1p7o n GLN 121 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1p7o n LEU 122 N -2.22 3.06 0.10 1.08 4.77 -0.80 -4.21 117.00 118.77 1p7o n LEU 122 Ca 0.02 -1.53 0.07 0.00 -0.03 0.00 0.00 56.01 54.53 1p7o n LEU 122 Cb 0.20 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1p7o n LEU 122 CO 0.18 0.67 0.04 0.00 -1.33 0.00 0.00 177.39 176.96