#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bp2 h LEU 2 N 0.00 0.89 -0.98 0.00 5.85 -1.90 -2.69 115.31 116.49 1bp2 h LEU 2 Ca 0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1bp2 h LEU 2 Cb 0.00 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1bp2 h LEU 2 CO 0.00 1.04 0.56 4.11 -0.34 0.00 0.00 178.44 183.81 1bp2 h TRP 3 N 0.79 1.22 -0.30 1.25 5.08 -1.97 -0.88 115.95 121.14 1bp2 h TRP 3 Ca 0.12 -0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.92 1bp2 h TRP 3 Cb 0.69 -0.40 -0.00 0.00 -3.00 0.00 0.00 29.16 26.45 1bp2 h TRP 3 CO 0.04 0.81 -0.44 1.96 -1.28 0.00 0.00 178.44 179.53 1bp2 h GLN 4 N 1.28 0.83 -0.50 0.12 7.50 -1.94 -2.82 115.11 119.57 1bp2 h GLN 4 Ca 0.33 -0.49 -0.02 0.00 0.50 0.00 0.00 58.65 58.97 1bp2 h GLN 4 Cb -0.06 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.49 1bp2 h GLN 4 CO -0.06 1.12 0.23 0.35 -1.50 0.00 0.00 178.83 178.97 1bp2 h PHE 5 N 0.60 0.74 -0.69 2.96 3.57 -1.13 -0.10 116.94 122.89 1bp2 h PHE 5 Ca 0.03 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1bp2 h PHE 5 Cb 1.04 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1bp2 h PHE 5 CO 0.07 0.60 0.34 -0.97 -2.23 0.00 0.00 178.31 176.12 1bp2 h ASN 6 N 0.67 0.87 -0.65 0.41 -0.73 -1.23 -1.63 115.58 113.29 1bp2 h ASN 6 Ca 0.17 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.17 1bp2 h ASN 6 Cb 0.15 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.49 1bp2 h ASN 6 CO -0.02 0.73 0.09 1.23 -0.37 0.00 0.00 177.43 179.08 1bp2 h GLY 7 N 1.03 1.18 0.88 1.57 0.00 -1.13 -2.20 103.07 104.39 1bp2 h GLY 7 Ca 0.24 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1bp2 h GLY 7 CO -0.03 0.75 0.07 -0.33 0.00 0.00 0.00 176.54 176.99 1bp2 h MET 8 N 1.01 0.37 -0.76 4.80 2.86 -0.54 -0.22 114.93 122.46 1bp2 h MET 8 Ca 0.20 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1bp2 h MET 8 Cb 0.47 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 1bp2 h MET 8 CO 0.02 0.46 0.46 0.82 1.06 0.00 0.00 176.91 179.73 1bp2 h ILE 9 N 0.21 1.05 -0.08 -1.22 2.04 -1.21 -0.91 117.51 117.40 1bp2 h ILE 9 Ca 0.08 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1bp2 h ILE 9 Cb 0.25 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1bp2 h ILE 9 CO -0.00 0.16 -0.24 0.11 0.00 0.00 0.00 178.15 178.18 1bp2 h LYS 10 N 0.87 0.13 -0.40 2.37 1.57 -1.17 0.44 116.57 120.38 1bp2 h LYS 10 Ca 0.32 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1bp2 h LYS 10 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1bp2 h LYS 10 CO -0.15 0.36 0.05 0.00 -0.57 0.00 0.00 179.45 179.14 1bp2 h LYS 12 N 0.53 0.06 -2.41 0.00 1.79 -1.01 -3.39 116.57 112.13 1bp2 h LYS 12 Ca 0.12 -0.10 -0.59 0.00 -2.18 0.00 0.00 60.65 57.90 1bp2 h LYS 12 Cb 0.40 0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 30.68 1bp2 h LYS 12 CO 0.01 1.05 -0.85 -0.89 -1.08 0.00 0.00 179.45 177.69 1bp2 n ILE 13 N -3.39 0.22 0.10 1.86 5.41 0.15 -4.95 119.36 118.77 1bp2 n ILE 13 Ca -0.02 -4.23 0.05 0.00 1.00 0.00 0.00 62.75 59.55 1bp2 n ILE 13 Cb 0.96 -1.93 0.23 0.00 -0.71 0.00 0.00 39.64 38.19 1bp2 n ILE 13 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1bp2 n PRO 14 N 1.91 0.05 0.00 0.38 -0.04 -0.97 -1.60 135.00 134.74 1bp2 n PRO 14 Ca 0.25 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.36 1bp2 n PRO 14 Cb 0.45 -1.66 0.31 0.00 -0.04 0.00 0.00 33.50 32.56 1bp2 n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bp2 n SER 15 N -1.78 0.94 -4.90 3.54 3.41 -1.26 -4.96 113.62 108.62 1bp2 n SER 15 Ca -0.00 -0.77 -0.29 0.00 -0.26 0.00 0.00 58.87 57.55 1bp2 n SER 15 Cb 0.03 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1bp2 n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bp2 s SER 16 N -2.64 6.46 -0.56 4.04 0.15 -0.62 -5.05 113.70 115.48 1bp2 s SER 16 Ca 0.20 0.77 0.04 0.00 0.70 0.00 0.00 55.95 57.66 1bp2 s SER 16 Cb 0.19 -2.17 0.14 0.00 -1.71 0.00 0.00 66.02 62.47 1bp2 s SER 16 CO 0.58 -0.21 0.31 -1.61 1.20 0.00 0.00 173.24 173.51 1bp2 s GLU 17 N -3.55 2.03 0.34 5.44 0.41 -1.26 -4.86 118.70 117.26 1bp2 s GLU 17 Ca 0.45 -2.75 0.12 0.00 -0.41 0.00 0.00 54.97 52.38 1bp2 s GLU 17 Cb -0.11 -3.25 0.94 0.00 -1.78 0.00 0.00 34.13 29.93 1bp2 s GLU 17 CO 0.30 -1.16 1.74 -1.35 -0.49 0.00 0.00 175.26 174.30 1bp2 h PRO 18 N 6.24 0.53 0.00 0.39 0.11 -1.94 0.10 132.00 137.42 1bp2 h PRO 18 Ca -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1bp2 h PRO 18 Cb 0.86 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1bp2 h PRO 18 CO 0.68 0.35 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.68 1bp2 h LEU 19 N 0.54 0.00 0.02 2.35 3.38 -1.95 -0.31 115.31 119.34 1bp2 h LEU 19 Ca 0.63 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.23 1bp2 h LEU 19 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1bp2 h LEU 19 CO -0.42 0.07 -2.08 0.18 0.09 0.00 0.00 178.44 176.28 1bp2 n LEU 20 N -3.38 2.17 0.02 1.67 4.77 0.15 -4.10 117.00 118.31 1bp2 n LEU 20 Ca -0.01 0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1bp2 n LEU 20 Cb 0.22 -0.92 -0.11 0.00 -2.33 0.00 0.00 43.42 40.29 1bp2 n LEU 20 CO 0.27 0.58 0.16 0.44 -1.33 0.00 0.00 177.39 177.51 1bp2 h ASP 21 N -0.71 0.75 0.12 -1.43 3.32 -0.95 -3.37 116.42 114.15 1bp2 h ASP 21 Ca -0.54 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 55.76 1bp2 h ASP 21 Cb 1.62 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1bp2 h ASP 21 CO -0.25 1.39 -0.98 0.49 -1.72 0.00 0.00 179.24 178.18 1bp2 n PHE 22 N -4.02 0.02 -2.84 4.55 3.72 -0.13 -4.87 117.46 113.88 1bp2 n PHE 22 Ca -0.11 0.01 -0.35 0.00 -0.05 0.00 0.00 57.45 56.95 1bp2 n PHE 22 Cb 0.79 -0.11 -0.07 0.00 -0.94 0.00 0.00 39.48 39.14 1bp2 n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bp2 s ASN 23 N -3.18 7.11 -1.13 4.37 3.04 -1.18 -4.02 114.94 119.96 1bp2 s ASN 23 Ca 0.07 1.71 -0.17 0.00 0.04 0.00 0.00 52.86 54.51 1bp2 s ASN 23 Cb 0.16 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.31 1bp2 s ASN 23 CO 0.84 -0.19 0.82 0.59 -3.04 0.00 0.00 177.10 176.11 1bp2 n ASN 24 N 0.00 -5.45 -4.13 -4.21 4.13 -0.27 -4.80 115.26 100.54 1bp2 n ASN 24 Ca 0.04 -0.94 -0.26 0.00 1.68 0.00 0.00 54.58 55.10 1bp2 n ASN 24 Cb 0.52 -3.83 -0.16 0.00 -1.54 0.00 0.00 39.78 34.77 1bp2 n ASN 24 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1bp2 s TYR 25 N -3.46 1.75 0.00 3.10 6.14 -0.71 -0.40 117.35 123.77 1bp2 s TYR 25 Ca 0.45 -0.54 0.00 0.00 0.64 0.00 0.00 57.07 57.63 1bp2 s TYR 25 Cb -0.14 -1.19 0.00 0.00 0.42 0.00 0.00 41.96 41.05 1bp2 s TYR 25 CO 0.83 -0.20 0.00 0.41 0.64 0.00 0.00 175.55 177.23 1bp2 n GLY 26 N 3.25 0.72 0.10 8.97 0.00 0.11 -2.10 105.19 116.24 1bp2 n GLY 26 Ca -0.19 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.10 1bp2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bp2 n TYR 28 N -2.75 0.00 -2.32 0.00 4.01 -1.25 -3.32 117.16 111.52 1bp2 n TYR 28 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.30 1bp2 n TYR 28 Cb 0.67 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1bp2 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bp2 n GLY 30 N 5.51 0.90 3.70 0.00 0.00 -1.26 -1.11 105.19 112.92 1bp2 n GLY 30 Ca 0.11 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1bp2 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bp2 n LEU 31 N 0.00 3.85 0.00 0.99 4.77 -1.26 -4.69 117.00 120.66 1bp2 n LEU 31 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1bp2 n LEU 31 Cb 0.00 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 1bp2 n LEU 31 CO 0.00 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1bp2 n GLY 32 N 0.79 -1.23 0.00 -0.72 0.00 -1.26 -4.96 105.19 97.80 1bp2 n GLY 32 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1bp2 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bp2 n GLY 33 N 0.00 2.40 3.34 -0.02 0.00 -1.25 -4.67 105.19 104.99 1bp2 n GLY 33 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1bp2 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bp2 s SER 34 N 0.00 -0.32 0.00 1.61 0.15 -1.21 -4.97 113.70 108.96 1bp2 s SER 34 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1bp2 s SER 34 Cb 0.00 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1bp2 s SER 34 CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1bp2 n GLY 35 N -0.15 -2.01 3.72 9.45 0.00 -1.26 -4.78 105.19 110.15 1bp2 n GLY 35 Ca -0.17 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1bp2 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bp2 s THR 36 N -0.03 5.02 0.42 2.61 2.01 -1.26 -5.02 115.64 119.39 1bp2 s THR 36 Ca 0.00 1.51 -0.27 0.00 0.31 0.00 0.00 61.69 63.25 1bp2 s THR 36 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1bp2 s THR 36 CO 0.00 0.25 1.47 -2.65 -0.69 0.00 0.00 174.62 172.99 1bp2 n PRO 37 N 3.76 2.48 0.17 4.92 -0.01 -1.26 -4.84 135.00 140.23 1bp2 n PRO 37 Ca -0.01 0.88 0.06 0.00 -0.01 0.00 0.00 63.50 64.42 1bp2 n PRO 37 Cb 0.51 -2.66 0.13 0.00 -0.01 0.00 0.00 33.50 31.47 1bp2 n PRO 37 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 175.50 175.10 1bp2 h VAL 38 N 2.63 0.61 -2.53 -1.45 -1.51 -1.95 -3.48 116.25 108.57 1bp2 h VAL 38 Ca -0.51 -1.76 -0.03 0.00 -1.23 0.00 0.00 66.70 63.17 1bp2 h VAL 38 Cb 1.25 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.64 1bp2 h VAL 38 CO 0.62 0.33 0.11 -0.90 -1.23 0.00 0.00 177.57 176.51 1bp2 n ASP 39 N -3.22 -1.05 -0.01 4.19 5.68 -1.26 -5.01 116.55 115.87 1bp2 n ASP 39 Ca 0.02 -1.78 -0.03 0.00 -0.50 0.00 0.00 54.79 52.51 1bp2 n ASP 39 Cb 0.64 1.77 0.22 0.00 -1.14 0.00 0.00 41.12 42.61 1bp2 n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1bp2 h ASP 40 N 0.95 0.53 -0.47 -1.12 3.32 -1.93 -0.77 116.42 116.93 1bp2 h ASP 40 Ca -0.16 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1bp2 h ASP 40 Cb 0.59 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1bp2 h ASP 40 CO 0.20 0.69 0.23 0.25 -1.72 0.00 0.00 179.24 178.89 1bp2 h LEU 41 N 0.50 0.61 -1.32 1.55 5.85 -1.93 -0.17 115.31 120.40 1bp2 h LEU 41 Ca 0.09 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1bp2 h LEU 41 Cb 0.53 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1bp2 h LEU 41 CO 0.03 0.56 0.24 -0.78 -0.34 0.00 0.00 178.44 178.16 1bp2 h ASP 42 N 0.61 0.64 0.18 1.25 3.58 -1.79 -0.59 116.42 120.30 1bp2 h ASP 42 Ca 0.16 -0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 1bp2 h ASP 42 Cb 0.11 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1bp2 h ASP 42 CO -0.02 0.55 -0.32 -0.09 -2.88 0.00 0.00 179.24 176.48 1bp2 h ARG 43 N 0.72 0.21 -0.57 0.28 1.12 -0.52 0.22 114.38 115.83 1bp2 h ARG 43 Ca 0.18 -0.08 0.02 0.00 -1.11 0.00 0.00 59.98 58.99 1bp2 h ARG 43 Cb 0.08 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 1bp2 h ARG 43 CO -0.02 0.51 0.35 0.00 -3.11 0.00 0.00 179.97 177.70 1bp2 h GLN 46 N 0.44 0.76 -0.54 0.00 4.15 -0.05 -0.05 115.11 119.82 1bp2 h GLN 46 Ca 0.04 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1bp2 h GLN 46 Cb 0.89 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1bp2 h GLN 46 CO 0.08 0.78 0.33 1.15 -1.93 0.00 0.00 178.83 179.24 1bp2 h THR 47 N 0.63 1.16 -0.47 2.39 2.02 -0.83 -1.46 112.91 116.35 1bp2 h THR 47 Ca 0.14 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1bp2 h THR 47 Cb 0.39 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1bp2 h THR 47 CO 0.01 0.16 0.29 -0.74 0.37 0.00 0.00 175.52 175.62 1bp2 h HIS 48 N 0.73 0.55 -0.78 3.16 -0.00 -0.94 0.11 115.15 117.99 1bp2 h HIS 48 Ca 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1bp2 h HIS 48 Cb -0.02 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.17 1bp2 h HIS 48 CO -0.03 0.33 0.49 -0.44 -0.00 0.00 0.00 177.93 178.28 1bp2 h ASP 49 N 0.60 0.92 0.37 3.26 5.19 -0.70 -1.93 116.42 124.13 1bp2 h ASP 49 Ca 0.18 -0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 1bp2 h ASP 49 Cb -0.03 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 1bp2 h ASP 49 CO -0.06 0.70 -0.45 0.78 -3.12 0.00 0.00 179.24 177.09 1bp2 h ASN 50 N 1.06 0.10 -0.56 6.45 2.35 -0.62 -2.56 115.58 121.80 1bp2 h ASN 50 Ca 0.28 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1bp2 h ASN 50 Cb -0.07 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1bp2 h ASN 50 CO -0.06 0.54 0.29 0.00 -1.65 0.00 0.00 177.43 176.55 1bp2 h TYR 52 N 0.75 1.03 -0.64 0.00 -1.99 -1.18 -0.52 116.97 114.41 1bp2 h TYR 52 Ca 0.19 -0.11 -0.07 0.00 2.00 0.00 0.00 58.73 60.74 1bp2 h TYR 52 Cb 0.08 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.49 1bp2 h TYR 52 CO -0.01 0.84 0.11 0.87 -0.00 0.00 0.00 178.16 179.97 1bp2 h LYS 53 N 0.95 1.05 -0.66 4.88 1.57 -1.22 -2.61 116.57 120.52 1bp2 h LYS 53 Ca 0.20 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1bp2 h LYS 53 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1bp2 h LYS 53 CO -0.00 0.96 0.18 0.37 -0.57 0.00 0.00 179.45 180.39 1bp2 h GLN 54 N 0.99 1.04 -0.37 3.15 5.75 -0.96 -2.34 115.11 122.37 1bp2 h GLN 54 Ca 0.20 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1bp2 h GLN 54 Cb 0.42 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1bp2 h GLN 54 CO 0.01 0.92 0.25 0.00 -2.65 0.00 0.00 178.83 177.36 1bp2 h ALA 55 N 1.07 1.89 0.00 3.38 0.00 -0.79 -0.25 119.26 124.57 1bp2 h ALA 55 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bp2 h ALA 55 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bp2 h ALA 55 CO -0.00 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1bp2 n LYS 56 N -4.48 0.17 0.00 0.00 5.02 -0.88 -1.74 118.16 116.25 1bp2 n LYS 56 Ca 0.04 0.42 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1bp2 n LYS 56 Cb 0.17 -1.84 0.09 0.00 -0.02 0.00 0.00 35.03 33.42 1bp2 n LYS 56 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bp2 n LYS 57 N -2.17 0.04 -2.25 1.97 4.01 -0.11 -4.67 118.16 114.98 1bp2 n LYS 57 Ca 0.02 -0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.41 1bp2 n LYS 57 Cb 0.21 -1.51 -0.03 0.00 -0.51 0.00 0.00 35.03 33.19 1bp2 n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bp2 s LEU 58 N -3.13 4.42 0.17 -0.35 1.43 -0.71 -4.91 118.68 115.60 1bp2 s LEU 58 Ca 0.09 2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 55.40 1bp2 s LEU 58 Cb 0.17 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.88 1bp2 s LEU 58 CO 0.77 -0.50 1.76 -0.78 0.23 0.00 0.00 176.35 177.83 1bp2 h ASP 59 N 5.38 0.20 -0.65 2.29 3.58 -1.92 -0.22 116.42 125.08 1bp2 h ASP 59 Ca -0.45 0.04 0.11 0.00 0.42 0.00 0.00 57.03 57.16 1bp2 h ASP 59 Cb 1.21 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 1bp2 h ASP 59 CO 0.77 0.15 0.24 0.77 -2.88 0.00 0.00 179.24 178.28 1bp2 h SER 60 N 0.35 0.21 -0.17 2.28 4.64 -1.94 0.23 113.55 119.15 1bp2 h SER 60 Ca 0.19 0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.45 1bp2 h SER 60 Cb 0.16 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1bp2 h SER 60 CO -0.18 0.11 -0.43 0.00 -0.87 0.00 0.00 176.83 175.45 1bp2 h LYS 62 N 0.58 0.28 -0.14 0.00 1.57 -0.23 -1.09 116.57 117.54 1bp2 h LYS 62 Ca 0.04 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1bp2 h LYS 62 Cb 0.98 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1bp2 h LYS 62 CO 0.09 0.43 -0.11 -0.39 -0.57 0.00 0.00 179.45 178.91 1bp2 h VAL 63 N 0.08 1.16 0.00 0.50 -1.51 -1.03 -0.62 116.25 114.84 1bp2 h VAL 63 Ca 0.05 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1bp2 h VAL 63 Cb 0.28 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1bp2 h VAL 63 CO 0.00 0.22 0.00 0.18 -1.23 0.00 0.00 177.57 176.74 1bp2 n LEU 64 N -4.30 0.00 -3.74 4.19 4.77 -0.94 -4.91 117.00 112.07 1bp2 n LEU 64 Ca -0.01 0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 56.08 1bp2 n LEU 64 Cb 0.24 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1bp2 n LEU 64 CO 0.37 -0.06 0.18 0.55 -1.33 0.00 0.00 177.39 177.11 1bp2 n VAL 65 N -1.38 -2.65 -2.43 4.08 3.14 -0.24 -4.96 118.33 113.90 1bp2 n VAL 65 Ca 0.10 -0.02 -0.33 0.00 -2.96 0.00 0.00 64.34 61.13 1bp2 n VAL 65 Cb 0.24 -3.50 -0.03 0.00 -1.06 0.00 0.00 33.84 29.49 1bp2 n VAL 65 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bp2 s ASP 66 N -3.35 6.47 -0.18 6.55 2.15 -0.53 -5.04 116.67 122.74 1bp2 s ASP 66 Ca 0.60 1.70 0.01 0.00 0.43 0.00 0.00 52.55 55.29 1bp2 s ASP 66 Cb -0.28 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.83 1bp2 s ASP 66 CO 0.78 -0.69 -0.18 0.21 -0.17 0.00 0.00 175.17 175.11 1bp2 s ASN 67 N -2.66 3.15 0.48 -0.34 3.84 -1.26 -4.90 114.94 113.24 1bp2 s ASN 67 Ca 0.62 -0.67 0.17 0.00 0.21 0.00 0.00 52.86 53.19 1bp2 s ASN 67 Cb -0.12 -1.44 1.18 0.00 -0.55 0.00 0.00 41.25 40.32 1bp2 s ASN 67 CO 0.27 -0.02 2.03 -0.65 -2.79 0.00 0.00 177.10 175.93 1bp2 h PRO 68 N 7.95 0.21 0.00 0.43 0.10 -1.98 0.84 132.00 139.55 1bp2 h PRO 68 Ca -0.43 -0.01 -0.05 0.00 0.10 0.00 0.00 66.00 65.61 1bp2 h PRO 68 Cb 1.13 -0.05 -0.01 0.00 0.10 0.00 0.00 31.00 32.18 1bp2 h PRO 68 CO 0.61 0.14 -0.23 1.88 0.10 0.00 0.00 178.00 180.49 1bp2 h TYR 69 N 0.21 0.00 -0.01 0.65 0.05 -1.97 -3.19 116.97 112.72 1bp2 h TYR 69 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1bp2 h TYR 69 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1bp2 h TYR 69 CO -0.00 0.23 -0.09 0.25 -1.05 0.00 0.00 178.16 177.50 1bp2 n THR 70 N -3.59 0.00 -1.59 -2.88 -2.24 -0.07 -3.72 114.28 100.18 1bp2 n THR 70 Ca -0.01 -0.45 -0.52 0.00 -2.27 0.00 0.00 64.05 60.80 1bp2 n THR 70 Cb 0.37 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1bp2 n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bp2 n ASN 71 N 0.21 1.64 -2.65 3.42 2.85 0.09 -4.56 115.26 116.26 1bp2 n ASN 71 Ca 0.05 1.12 -0.36 0.00 -0.11 0.00 0.00 54.58 55.28 1bp2 n ASN 71 Cb 0.24 -1.19 0.05 0.00 1.24 0.00 0.00 39.78 40.12 1bp2 n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bp2 n ASN 72 N 2.51 7.13 -4.69 1.20 4.05 -1.26 0.61 115.26 124.81 1bp2 n ASN 72 Ca 0.18 -3.81 -0.30 0.00 0.45 0.00 0.00 54.58 51.10 1bp2 n ASN 72 Cb 0.19 -0.93 0.15 0.00 1.23 0.00 0.00 39.78 40.41 1bp2 n ASN 72 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1bp2 s TYR 73 N -3.92 2.02 0.09 1.20 -0.85 -1.26 -5.03 117.35 109.59 1bp2 s TYR 73 Ca 0.55 1.55 0.05 0.00 -0.52 0.00 0.00 57.07 58.70 1bp2 s TYR 73 Cb 0.45 -3.19 -0.04 0.00 0.38 0.00 0.00 41.96 39.57 1bp2 s TYR 73 CO -0.25 -2.53 -0.03 -1.12 -1.52 0.00 0.00 175.55 170.09 1bp2 s SER 74 N -3.03 4.83 0.14 -0.18 0.01 -1.26 -4.92 113.70 109.29 1bp2 s SER 74 Ca 0.65 -0.23 -0.09 0.00 1.31 0.00 0.00 55.95 57.59 1bp2 s SER 74 Cb -0.20 -1.10 -0.00 0.00 0.21 0.00 0.00 66.02 64.93 1bp2 s SER 74 CO 0.58 0.19 0.25 -0.72 0.41 0.00 0.00 173.24 173.95 1bp2 s TYR 75 N -1.26 0.29 0.04 2.43 -0.85 -1.26 -1.45 117.35 115.28 1bp2 s TYR 75 Ca 0.24 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1bp2 s TYR 75 Cb -0.11 -0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 1bp2 s TYR 75 CO 0.16 -0.65 -0.06 -1.54 -1.52 0.00 0.00 175.55 171.94 1bp2 s SER 76 N -2.92 0.63 -0.11 -0.18 1.04 0.52 -4.91 113.70 107.76 1bp2 s SER 76 Ca 0.12 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1bp2 s SER 76 Cb 0.04 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1bp2 s SER 76 CO -0.04 -0.29 -0.16 0.00 0.98 0.00 0.00 173.24 173.73 1bp2 s SER 78 N 1.00 -0.31 -1.43 0.00 1.04 -0.84 -4.89 113.70 108.26 1bp2 s SER 78 Ca -0.06 0.60 -0.10 0.00 0.48 0.00 0.00 55.95 56.87 1bp2 s SER 78 Cb -0.15 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.54 1bp2 s SER 78 CO -0.02 -0.15 0.68 0.59 0.98 0.00 0.00 173.24 175.31 1bp2 n ASN 79 N 3.92 -4.67 -1.53 7.02 3.02 -1.26 -1.54 115.26 120.23 1bp2 n ASN 79 Ca -0.22 -0.49 -0.15 0.00 -0.03 0.00 0.00 54.58 53.69 1bp2 n ASN 79 Cb 0.55 -3.79 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 1bp2 n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bp2 n ASN 80 N -2.52 -4.70 -4.29 6.41 4.13 -1.26 -5.01 115.26 108.02 1bp2 n ASN 80 Ca -0.02 0.14 -0.32 0.00 1.68 0.00 0.00 54.58 56.06 1bp2 n ASN 80 Cb 0.55 -3.73 -0.16 0.00 -1.54 0.00 0.00 39.78 34.90 1bp2 n ASN 80 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1bp2 s GLU 81 N -4.20 2.51 -0.16 3.52 0.41 -0.59 -4.49 118.70 115.70 1bp2 s GLU 81 Ca 0.00 -0.89 -0.09 0.00 -0.41 0.00 0.00 54.97 53.58 1bp2 s GLU 81 Cb 0.00 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 30.14 1bp2 s GLU 81 CO 0.00 0.41 0.13 0.42 -0.49 0.00 0.00 175.26 175.74 1bp2 s ILE 82 N -0.24 5.44 -0.07 -1.63 1.01 -1.26 -1.98 121.20 122.47 1bp2 s ILE 82 Ca -0.01 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1bp2 s ILE 82 Cb -0.13 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1bp2 s ILE 82 CO 0.03 0.52 -0.20 -0.89 0.00 0.00 0.00 174.94 174.41 1bp2 s THR 83 N -0.28 1.68 -0.04 2.92 2.01 0.09 -4.99 115.64 117.04 1bp2 s THR 83 Ca 0.11 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 1bp2 s THR 83 Cb -0.11 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1bp2 s THR 83 CO 0.01 0.48 0.52 0.00 -0.69 0.00 0.00 174.62 174.94 1bp2 s SER 85 N -0.09 6.43 0.56 0.00 0.15 -0.53 -4.89 113.70 115.34 1bp2 s SER 85 Ca 0.28 2.89 0.31 0.00 0.70 0.00 0.00 55.95 60.14 1bp2 s SER 85 Cb -0.17 -2.63 1.67 0.00 -1.71 0.00 0.00 66.02 63.18 1bp2 s SER 85 CO 0.14 -0.87 2.14 0.28 1.20 0.00 0.00 173.24 176.14 1bp2 h SER 86 N 4.85 0.00 0.85 5.45 0.02 -1.95 -0.73 113.55 122.04 1bp2 h SER 86 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1bp2 h SER 86 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1bp2 h SER 86 CO 0.79 0.07 0.00 -0.62 -1.14 0.00 0.00 176.83 175.92 1bp2 n GLU 87 N -3.52 0.17 -1.91 3.45 1.02 -1.26 -4.83 120.64 113.77 1bp2 n GLU 87 Ca -0.02 0.34 -0.40 0.00 -0.02 0.00 0.00 57.16 57.06 1bp2 n GLU 87 Cb 0.19 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1bp2 n GLU 87 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1bp2 s ASN 88 N -4.09 6.24 0.91 1.62 0.02 -0.28 -4.99 114.94 114.37 1bp2 s ASN 88 Ca 0.06 2.86 -0.12 0.00 -1.02 0.00 0.00 52.86 54.64 1bp2 s ASN 88 Cb 0.10 -2.65 0.14 0.00 0.02 0.00 0.00 41.25 38.86 1bp2 s ASN 88 CO 0.42 -0.92 1.13 0.54 0.02 0.00 0.00 177.10 178.29 1bp2 s ASN 89 N -0.46 3.51 0.23 -1.22 2.20 -1.26 -4.63 114.94 113.31 1bp2 s ASN 89 Ca 0.56 1.01 -0.10 0.00 -0.94 0.00 0.00 52.86 53.39 1bp2 s ASN 89 Cb -0.43 -1.60 0.34 0.00 -2.00 0.00 0.00 41.25 37.57 1bp2 s ASN 89 CO 0.56 -2.56 1.64 0.00 -2.94 0.00 0.00 177.10 173.80 1bp2 h ALA 90 N -1.50 0.64 -0.19 3.54 0.00 -1.98 0.53 119.26 120.30 1bp2 h ALA 90 Ca -0.51 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1bp2 h ALA 90 Cb 1.33 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1bp2 h ALA 90 CO 0.61 -0.41 -0.25 0.00 0.00 0.00 0.00 179.25 179.20 1bp2 h GLU 92 N 0.17 0.47 -0.65 0.00 4.11 -1.73 -1.86 114.58 115.09 1bp2 h GLU 92 Ca 0.02 -0.12 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 1bp2 h GLU 92 Cb 0.82 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1bp2 h GLU 92 CO 0.06 0.56 0.08 0.00 0.07 0.00 0.00 179.01 179.78 1bp2 h ALA 93 N 1.47 0.92 -0.43 1.06 0.00 0.09 -0.59 119.26 121.78 1bp2 h ALA 93 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1bp2 h ALA 93 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1bp2 h ALA 93 CO 0.02 0.66 0.19 0.35 0.00 0.00 0.00 179.25 180.48 1bp2 h PHE 94 N 1.01 0.64 -0.52 0.00 3.04 -0.55 -1.94 116.94 118.61 1bp2 h PHE 94 Ca 0.19 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.01 1bp2 h PHE 94 Cb 0.47 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1bp2 h PHE 94 CO 0.03 0.53 -0.04 0.82 -2.02 0.00 0.00 178.31 177.64 1bp2 h ILE 95 N 0.55 1.27 -0.81 1.41 1.08 -1.24 -2.00 117.51 117.77 1bp2 h ILE 95 Ca 0.15 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1bp2 h ILE 95 Cb 0.15 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1bp2 h ILE 95 CO -0.02 0.41 0.53 0.00 -0.69 0.00 0.00 178.15 178.39 1bp2 h ASN 97 N 1.10 0.88 -0.34 0.00 -1.24 -1.15 0.24 115.58 115.06 1bp2 h ASN 97 Ca 0.30 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.10 1bp2 h ASN 97 Cb -0.12 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.67 1bp2 h ASN 97 CO -0.06 0.93 0.19 0.00 -1.29 0.00 0.00 177.43 177.19 1bp2 h ASP 99 N 0.39 0.76 0.15 0.00 3.45 -0.88 -2.47 116.42 117.82 1bp2 h ASP 99 Ca 0.14 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 1bp2 h ASP 99 Cb 0.03 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1bp2 h ASP 99 CO -0.08 0.90 -0.07 -0.09 -1.57 0.00 0.00 179.24 178.32 1bp2 h ARG 100 N 0.61 -0.20 -0.87 3.56 2.43 -0.33 -1.40 114.38 118.19 1bp2 h ARG 100 Ca 0.12 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 1bp2 h ARG 100 Cb 0.52 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 1bp2 h ARG 100 CO 0.03 -0.08 0.56 -0.91 -1.51 0.00 0.00 179.97 178.06 1bp2 h ASN 101 N -0.27 0.73 -0.28 -3.80 4.21 -0.96 -1.50 115.58 113.71 1bp2 h ASN 101 Ca -0.02 0.03 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 1bp2 h ASN 101 Cb 0.21 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1bp2 h ASN 101 CO 0.03 0.42 -0.43 0.00 -1.29 0.00 0.00 177.43 176.16 1bp2 h ALA 102 N 1.58 0.42 -0.40 -0.83 0.00 -1.21 -0.58 119.26 118.23 1bp2 h ALA 102 Ca 0.41 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1bp2 h ALA 102 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1bp2 h ALA 102 CO -0.18 0.55 0.05 0.00 0.00 0.00 0.00 179.25 179.68 1bp2 h ALA 103 N 0.67 1.35 -0.14 0.00 0.00 -0.68 0.22 119.26 120.67 1bp2 h ALA 103 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1bp2 h ALA 103 Cb 1.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bp2 h ALA 103 CO 0.10 0.46 -0.27 0.82 0.00 0.00 0.00 179.25 180.36 1bp2 h ILE 104 N 0.59 1.36 -0.29 0.00 2.04 -1.24 -2.71 117.51 117.26 1bp2 h ILE 104 Ca 0.13 -1.52 0.06 0.00 1.00 0.00 0.00 64.86 64.52 1bp2 h ILE 104 Cb 0.30 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1bp2 h ILE 104 CO 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 178.15 178.56 1bp2 h PHE 106 N 0.03 0.89 0.00 0.00 -1.00 -0.55 -0.40 116.94 115.91 1bp2 h PHE 106 Ca 0.14 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1bp2 h PHE 106 Cb 0.21 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1bp2 h PHE 106 CO -0.26 0.22 0.00 -1.13 -1.61 0.00 0.00 178.31 175.53 1bp2 n SER 107 N -4.82 0.43 -0.61 2.17 3.41 -0.52 -3.37 113.62 110.31 1bp2 n SER 107 Ca 0.19 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 1bp2 n SER 107 Cb 0.47 -0.68 0.07 0.00 -0.26 0.00 0.00 64.21 63.81 1bp2 n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bp2 n LYS 108 N -1.94 1.19 -4.35 4.33 4.76 -0.17 -5.00 118.16 116.97 1bp2 n LYS 108 Ca 0.04 -1.45 -0.22 0.00 -2.87 0.00 0.00 58.31 53.81 1bp2 n LYS 108 Cb 0.27 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 1bp2 n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1bp2 s VAL 109 N -1.19 1.89 0.72 -0.18 -7.23 -1.14 -5.09 120.40 108.18 1bp2 s VAL 109 Ca 0.18 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.25 1bp2 s VAL 109 Cb 0.12 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 35.20 1bp2 s VAL 109 CO 0.18 -0.31 1.18 -2.84 -0.31 0.00 0.00 175.10 173.00 1bp2 s PRO 110 N -2.84 2.27 -0.24 4.82 0.02 -1.26 -4.95 135.00 132.82 1bp2 s PRO 110 Ca 0.17 1.65 -0.03 0.00 0.02 0.00 0.00 61.00 62.81 1bp2 s PRO 110 Cb -0.06 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1bp2 s PRO 110 CO 0.07 -1.71 -0.05 -0.47 -0.33 0.00 0.00 177.00 174.51 1bp2 s TYR 111 N -2.11 3.00 -0.52 6.54 6.14 -1.26 -4.42 117.35 124.73 1bp2 s TYR 111 Ca 0.72 -1.21 -0.10 0.00 0.64 0.00 0.00 57.07 57.13 1bp2 s TYR 111 Cb -0.26 -2.09 0.13 0.00 0.42 0.00 0.00 41.96 40.15 1bp2 s TYR 111 CO 0.45 -0.63 0.40 -0.80 0.64 0.00 0.00 175.55 175.61 1bp2 s ASN 112 N 1.41 5.80 0.47 4.32 0.01 -1.26 -4.94 114.94 120.75 1bp2 s ASN 112 Ca 0.03 -2.05 0.31 0.00 -0.71 0.00 0.00 52.86 50.44 1bp2 s ASN 112 Cb -0.15 -2.03 1.69 0.00 0.41 0.00 0.00 41.25 41.16 1bp2 s ASN 112 CO -0.04 -0.67 1.95 0.07 -1.51 0.00 0.00 177.10 176.90 1bp2 h LYS 113 N 8.31 0.00 0.00 -0.60 2.10 -1.98 0.19 116.57 124.59 1bp2 h LYS 113 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1bp2 h LYS 113 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1bp2 h LYS 113 CO 0.86 0.00 0.00 1.05 -2.00 0.00 0.00 179.45 179.36 1bp2 h GLU 114 N 0.00 0.00 -0.14 0.07 9.09 -2.04 -2.50 114.58 119.06 1bp2 h GLU 114 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bp2 h GLU 114 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1bp2 h GLU 114 CO 0.00 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.78 1bp2 n HIS 115 N -2.54 0.17 -2.70 2.06 8.25 0.67 -4.85 115.22 116.27 1bp2 n HIS 115 Ca 0.02 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 1bp2 n HIS 115 Cb 0.30 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 1bp2 n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1bp2 s LYS 116 N -1.83 4.68 -1.17 -0.41 2.47 -0.95 0.04 119.74 122.57 1bp2 s LYS 116 Ca 0.34 1.48 -0.02 0.00 -1.56 0.00 0.00 55.97 56.21 1bp2 s LYS 116 Cb 0.20 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 33.18 1bp2 s LYS 116 CO 0.30 0.17 0.95 0.09 0.16 0.00 0.00 175.35 177.02 1bp2 n ASN 117 N 2.85 -3.17 -4.77 1.43 5.03 0.46 -4.92 115.26 112.17 1bp2 n ASN 117 Ca 0.03 -0.67 -0.35 0.00 0.87 0.00 0.00 54.58 54.46 1bp2 n ASN 117 Cb 0.49 -5.01 0.02 0.00 -1.02 0.00 0.00 39.78 34.26 1bp2 n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1bp2 s LEU 118 N -6.15 3.67 -0.08 3.41 0.20 -1.24 -4.99 118.68 113.49 1bp2 s LEU 118 Ca 0.13 2.19 -0.28 0.00 0.69 0.00 0.00 54.13 56.86 1bp2 s LEU 118 Cb -0.02 -4.58 -0.02 0.00 -0.43 0.00 0.00 46.19 41.14 1bp2 s LEU 118 CO 0.74 -1.37 0.91 -0.62 -0.29 0.00 0.00 176.35 175.72 1bp2 s ASP 119 N -1.87 7.17 0.00 3.68 -1.08 -1.26 -4.88 116.67 118.43 1bp2 s ASP 119 Ca 0.73 1.43 0.03 0.00 -0.52 0.00 0.00 52.55 54.22 1bp2 s ASP 119 Cb -0.25 -2.51 0.13 0.00 -1.46 0.00 0.00 42.92 38.83 1bp2 s ASP 119 CO 0.31 -0.33 1.08 0.29 0.52 0.00 0.00 175.17 177.04 1bp2 n LYS 120 N 4.54 0.01 0.07 4.34 4.76 -1.26 -0.89 118.16 129.72 1bp2 n LYS 120 Ca 0.05 0.43 0.10 0.00 -2.87 0.00 0.00 58.31 56.02 1bp2 n LYS 120 Cb 0.50 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.61 1bp2 n LYS 120 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1bp2 n LYS 121 N -1.48 0.11 -0.16 1.97 5.02 -1.26 -1.00 118.16 121.36 1bp2 n LYS 121 Ca 0.01 0.33 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1bp2 n LYS 121 Cb 0.03 -1.70 0.25 0.00 -0.02 0.00 0.00 35.03 33.59 1bp2 n LYS 121 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bp2 n ASN 122 N -1.91 2.11 -0.14 4.39 4.13 -0.07 -5.22 115.26 118.55 1bp2 n ASN 122 Ca 0.03 -1.90 0.02 0.00 1.68 0.00 0.00 54.58 54.41 1bp2 n ASN 122 Cb 0.22 -0.22 0.01 0.00 -1.54 0.00 0.00 39.78 38.26 1bp2 n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54