#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irb h LEU 2 N 0.00 0.52 0.00 0.00 7.12 -1.19 0.29 115.31 122.06 1irb h LEU 2 Ca 0.00 0.03 -0.22 0.00 0.13 0.00 0.00 57.88 57.82 1irb h LEU 2 Cb 0.00 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 1irb h LEU 2 CO 0.00 0.27 -1.03 -0.50 -0.13 0.00 0.00 178.44 177.05 1irb h TRP 3 N 0.56 0.08 -0.10 1.25 4.06 -1.99 0.18 115.95 119.98 1irb h TRP 3 Ca 0.40 -0.06 -0.15 0.00 2.06 0.00 0.00 58.89 61.14 1irb h TRP 3 Cb 0.74 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 1irb h TRP 3 CO -0.00 1.04 -0.57 1.96 -3.56 0.00 0.00 178.44 177.31 1irb h GLN 4 N 0.01 0.32 -0.14 0.49 7.50 -1.35 -3.22 115.11 118.73 1irb h GLN 4 Ca -0.03 -0.21 -0.08 0.00 0.50 0.00 0.00 58.65 58.83 1irb h GLN 4 Cb 1.79 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 29.34 1irb h GLN 4 CO 0.14 0.80 -0.24 0.35 -1.50 0.00 0.00 178.83 178.39 1irb h PHE 5 N 0.24 0.51 -0.82 2.96 3.57 -1.12 -1.78 116.94 120.51 1irb h PHE 5 Ca -0.00 -0.18 0.20 0.00 3.53 0.00 0.00 57.97 61.53 1irb h PHE 5 Cb 1.07 -0.10 -0.14 0.00 2.79 0.00 0.00 35.95 39.58 1irb h PHE 5 CO 0.03 0.86 0.15 -0.97 -2.23 0.00 0.00 178.31 176.14 1irb h ASN 6 N 0.01 -0.13 0.70 0.41 -0.73 -1.07 -1.88 115.58 112.90 1irb h ASN 6 Ca 0.01 0.19 -0.20 0.00 1.87 0.00 0.00 56.30 58.17 1irb h ASN 6 Cb 0.82 0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.68 1irb h ASN 6 CO 0.05 -0.15 -0.91 1.23 -0.37 0.00 0.00 177.43 177.28 1irb h GLY 7 N 0.18 0.15 0.99 1.57 0.00 -1.53 -2.08 103.07 102.34 1irb h GLY 7 Ca 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1irb h GLY 7 CO -0.65 0.25 0.28 -0.33 0.00 0.00 0.00 176.54 176.09 1irb h MET 8 N 0.06 0.81 -0.29 4.80 2.86 -0.89 0.49 114.93 122.76 1irb h MET 8 Ca -0.04 -0.11 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 1irb h MET 8 Cb 1.57 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.08 1irb h MET 8 CO 0.13 0.65 -0.47 0.82 1.06 0.00 0.00 176.91 179.10 1irb h ILE 9 N 0.76 1.28 0.00 -1.22 2.04 -1.25 -1.79 117.51 117.33 1irb h ILE 9 Ca 0.20 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1irb h ILE 9 Cb 0.10 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1irb h ILE 9 CO -0.03 0.54 -0.07 0.11 0.00 0.00 0.00 178.15 178.71 1irb h LYS 10 N 0.62 0.00 -0.38 2.37 1.57 -1.20 0.40 116.57 119.94 1irb h LYS 10 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1irb h LYS 10 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1irb h LYS 10 CO 0.11 0.07 0.25 0.00 -0.57 0.00 0.00 179.45 179.30 1irb h LYS 12 N 0.51 0.33 -3.09 0.00 1.79 -1.10 -3.41 116.57 111.60 1irb h LYS 12 Ca 0.14 -0.54 -0.62 0.00 -2.18 0.00 0.00 60.65 57.45 1irb h LYS 12 Cb -0.05 0.19 -0.41 0.00 -1.58 0.00 0.00 32.23 30.39 1irb h LYS 12 CO -0.03 1.24 -0.68 0.42 -1.08 0.00 0.00 179.45 179.32 1irb s ILE 13 N -2.73 2.04 0.32 1.86 1.01 0.14 -4.99 121.20 118.85 1irb s ILE 13 Ca -0.05 -3.20 0.34 0.00 0.00 0.00 0.00 60.65 57.75 1irb s ILE 13 Cb 0.07 -2.40 0.37 0.00 0.01 0.00 0.00 42.46 40.51 1irb s ILE 13 CO 0.89 -0.91 2.09 1.55 0.00 0.00 0.00 174.94 178.56 1irb h PRO 14 N 6.28 0.00 0.00 2.79 0.13 -1.75 -2.92 132.00 136.53 1irb h PRO 14 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1irb h PRO 14 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1irb h PRO 14 CO 0.59 0.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 1irb n SER 15 N -3.24 0.00 -4.91 1.44 3.41 -1.26 -4.93 113.62 104.14 1irb n SER 15 Ca -0.01 0.05 -0.30 0.00 -0.26 0.00 0.00 58.87 58.35 1irb n SER 15 Cb 0.24 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1irb n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1irb s SER 16 N -2.69 6.27 -0.62 4.04 0.15 -1.10 -5.05 113.70 114.70 1irb s SER 16 Ca 0.24 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 57.06 1irb s SER 16 Cb 0.19 -1.90 0.16 0.00 -1.71 0.00 0.00 66.02 62.76 1irb s SER 16 CO 0.47 0.15 0.46 -1.61 1.20 0.00 0.00 173.24 173.90 1irb s GLU 17 N -2.63 2.65 0.41 5.44 0.41 -1.26 -4.83 118.70 118.90 1irb s GLU 17 Ca 0.34 -2.40 0.14 0.00 -0.41 0.00 0.00 54.97 52.64 1irb s GLU 17 Cb -0.13 -3.83 0.99 0.00 -1.78 0.00 0.00 34.13 29.39 1irb s GLU 17 CO 0.27 -1.18 1.93 -1.35 -0.49 0.00 0.00 175.26 174.44 1irb h PRO 18 N 7.34 0.46 0.00 0.39 0.11 -1.94 0.26 132.00 138.61 1irb h PRO 18 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1irb h PRO 18 Cb 0.98 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1irb h PRO 18 CO 0.73 0.30 0.00 -0.07 -0.21 0.00 0.00 178.00 178.75 1irb h LEU 19 N 0.47 0.00 0.00 2.35 4.07 -1.94 -1.46 115.31 118.81 1irb h LEU 19 Ca 0.36 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.93 1irb h LEU 19 Cb 0.72 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.41 1irb h LEU 19 CO -0.12 0.00 -2.25 0.18 -1.08 0.00 0.00 178.44 175.17 1irb n LEU 20 N -2.57 1.77 0.04 1.67 4.77 -0.11 -4.17 117.00 118.41 1irb n LEU 20 Ca 0.03 0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 1irb n LEU 20 Cb 0.35 -0.73 0.16 0.00 -2.33 0.00 0.00 43.42 40.86 1irb n LEU 20 CO 0.27 0.44 0.61 0.44 -1.33 0.00 0.00 177.39 177.81 1irb h ASP 21 N -0.90 0.42 -0.01 -1.43 3.32 -1.08 -3.22 116.42 113.51 1irb h ASP 21 Ca -0.58 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1irb h ASP 21 Cb 1.49 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1irb h ASP 21 CO -0.35 0.79 -0.06 0.49 -1.72 0.00 0.00 179.24 178.39 1irb n PHE 22 N -4.02 0.00 -3.06 4.55 3.72 -0.55 -4.94 117.46 113.16 1irb n PHE 22 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 1irb n PHE 22 Cb 0.51 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 1irb n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1irb s ASN 23 N -1.22 7.28 -0.93 4.37 2.47 -1.22 -4.18 114.94 121.50 1irb s ASN 23 Ca 0.14 1.53 -0.04 0.00 0.42 0.00 0.00 52.86 54.92 1irb s ASN 23 Cb 0.11 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1irb s ASN 23 CO 0.20 0.21 0.83 0.59 -3.72 0.00 0.00 177.10 175.21 1irb n ASN 24 N 1.52 -7.06 -3.95 -4.21 4.13 -0.67 -4.77 115.26 100.25 1irb n ASN 24 Ca -0.06 -0.48 -0.21 0.00 1.68 0.00 0.00 54.58 55.51 1irb n ASN 24 Cb 0.49 -5.21 -0.16 0.00 -1.54 0.00 0.00 39.78 33.36 1irb n ASN 24 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1irb s TYR 25 N -3.24 0.96 0.00 3.10 6.14 -0.71 0.13 117.35 123.73 1irb s TYR 25 Ca 0.29 -0.29 0.00 0.00 0.64 0.00 0.00 57.07 57.70 1irb s TYR 25 Cb -0.04 -0.76 0.00 0.00 0.42 0.00 0.00 41.96 41.58 1irb s TYR 25 CO 0.75 -0.19 0.00 0.41 0.64 0.00 0.00 175.55 177.16 1irb n GLY 26 N 3.79 0.97 0.07 8.97 0.00 -0.05 -1.78 105.19 117.17 1irb n GLY 26 Ca -0.23 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.22 1irb n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1irb n TYR 28 N -2.21 0.00 -2.43 0.00 4.01 -1.25 -3.01 117.16 112.28 1irb n TYR 28 Ca 0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.37 1irb n TYR 28 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 1irb n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1irb n GLY 30 N 5.85 1.77 3.64 0.00 0.00 -1.26 -1.67 105.19 113.52 1irb n GLY 30 Ca 0.15 -1.78 -0.46 0.00 0.00 0.00 0.00 46.02 43.93 1irb n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1irb n LEU 31 N 0.00 2.63 0.00 0.99 4.32 -1.26 -4.56 117.00 119.11 1irb n LEU 31 Ca 0.00 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 1irb n LEU 31 Cb 0.00 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.44 1irb n LEU 31 CO 0.00 -0.71 0.00 0.61 -1.22 0.00 0.00 177.39 176.07 1irb n GLY 32 N 2.24 0.88 0.00 -0.72 0.00 -1.26 -5.00 105.19 101.33 1irb n GLY 32 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1irb n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irb n GLY 33 N 0.00 4.20 3.39 -0.02 0.00 -1.26 -4.71 105.19 106.79 1irb n GLY 33 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1irb n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1irb s SER 34 N 0.00 -0.02 0.00 1.61 1.04 -1.16 -4.96 113.70 110.20 1irb s SER 34 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1irb s SER 34 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1irb s SER 34 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1irb n GLY 35 N -0.26 -1.80 3.76 7.32 0.00 -1.26 -4.72 105.19 108.24 1irb n GLY 35 Ca -0.07 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 1irb n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1irb s THR 36 N 0.00 5.23 0.18 2.61 2.01 -1.26 -5.05 115.64 119.36 1irb s THR 36 Ca 0.00 0.69 -0.32 0.00 0.31 0.00 0.00 61.69 62.37 1irb s THR 36 Cb 0.00 -3.68 -0.16 0.00 0.01 0.00 0.00 72.50 68.67 1irb s THR 36 CO 0.00 0.42 0.97 -2.65 -0.69 0.00 0.00 174.62 172.67 1irb n PRO 37 N 3.15 0.76 0.18 4.92 -0.02 -1.26 -4.82 135.00 137.91 1irb n PRO 37 Ca -0.12 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 1irb n PRO 37 Cb 0.52 -1.63 0.18 0.00 -0.02 0.00 0.00 33.50 32.55 1irb n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1irb h VAL 38 N 2.20 0.00 -2.11 -1.45 -1.51 -1.97 -3.47 116.25 107.93 1irb h VAL 38 Ca -0.40 -0.91 -0.00 0.00 -1.23 0.00 0.00 66.70 64.16 1irb h VAL 38 Cb 1.38 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 1irb h VAL 38 CO 0.65 0.00 0.04 -0.90 -1.23 0.00 0.00 177.57 176.13 1irb n ASP 39 N -2.89 -0.32 -0.01 4.19 5.68 -1.26 -5.02 116.55 116.92 1irb n ASP 39 Ca 0.04 -1.22 -0.03 0.00 -0.50 0.00 0.00 54.79 53.08 1irb n ASP 39 Cb 0.52 0.53 0.22 0.00 -1.14 0.00 0.00 41.12 41.25 1irb n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1irb h ASP 40 N 0.28 0.54 -0.46 -1.12 3.32 -1.93 -0.86 116.42 116.18 1irb h ASP 40 Ca -0.05 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1irb h ASP 40 Cb 0.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1irb h ASP 40 CO 0.06 0.71 0.02 0.25 -1.72 0.00 0.00 179.24 178.56 1irb h LEU 41 N 0.51 0.79 -1.04 1.55 5.85 -1.94 -0.75 115.31 120.29 1irb h LEU 41 Ca 0.09 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1irb h LEU 41 Cb 0.54 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1irb h LEU 41 CO 0.03 0.89 0.46 -0.78 -0.34 0.00 0.00 178.44 178.70 1irb h ASP 42 N 0.66 1.01 -0.32 1.25 3.58 -1.86 -1.39 116.42 119.35 1irb h ASP 42 Ca 0.13 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1irb h ASP 42 Cb 0.48 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1irb h ASP 42 CO 0.02 0.80 -0.07 -0.09 -2.88 0.00 0.00 179.24 177.02 1irb h ARG 43 N 1.14 0.73 -0.53 0.28 2.43 -0.76 -0.51 114.38 117.15 1irb h ARG 43 Ca 0.29 -0.22 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1irb h ARG 43 Cb 0.01 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1irb h ARG 43 CO -0.05 0.79 0.19 0.00 -1.51 0.00 0.00 179.97 179.38 1irb h GLN 46 N 0.97 0.62 -0.83 0.00 4.15 -0.65 -0.12 115.11 119.24 1irb h GLN 46 Ca 0.21 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1irb h GLN 46 Cb 0.33 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 1irb h GLN 46 CO -0.00 0.64 0.41 1.15 -1.93 0.00 0.00 178.83 179.10 1irb h THR 47 N 0.48 1.25 -0.26 2.39 2.02 -1.03 -0.55 112.91 117.22 1irb h THR 47 Ca 0.12 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.52 1irb h THR 47 Cb 0.30 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1irb h THR 47 CO -0.00 0.30 -0.22 -0.74 0.37 0.00 0.00 175.52 175.23 1irb h HIS 48 N 1.18 0.71 -0.92 3.16 -0.00 -1.30 0.85 115.15 118.83 1irb h HIS 48 Ca 0.29 -0.20 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1irb h HIS 48 Cb 0.09 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.30 1irb h HIS 48 CO 0.01 0.90 0.60 -0.44 -0.00 0.00 0.00 177.93 179.00 1irb h ASP 49 N 0.32 0.99 -0.29 3.26 3.32 -0.58 -1.13 116.42 122.30 1irb h ASP 49 Ca 0.05 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1irb h ASP 49 Cb 0.77 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1irb h ASP 49 CO 0.06 0.67 -0.04 0.78 -1.72 0.00 0.00 179.24 178.99 1irb h ASN 50 N 1.15 0.63 -0.51 6.45 2.35 -0.82 -1.71 115.58 123.12 1irb h ASN 50 Ca 0.37 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1irb h ASN 50 Cb 0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1irb h ASN 50 CO -0.13 0.73 0.22 0.00 -1.65 0.00 0.00 177.43 176.60 1irb h TYR 52 N 0.68 0.19 0.00 0.00 -1.99 -0.99 -0.50 116.97 114.37 1irb h TYR 52 Ca 0.17 -0.04 -0.19 0.00 2.00 0.00 0.00 58.73 60.67 1irb h TYR 52 Cb 0.17 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 1irb h TYR 52 CO 0.00 0.49 -0.90 0.87 -0.00 0.00 0.00 178.16 178.62 1irb h LYS 53 N 0.15 0.00 -0.26 4.88 1.79 -1.08 -2.80 116.57 119.24 1irb h LYS 53 Ca 0.02 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1irb h LYS 53 Cb 0.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1irb h LYS 53 CO 0.05 0.90 -0.07 0.37 -1.08 0.00 0.00 179.45 179.63 1irb h GLN 54 N 0.00 0.51 -0.66 3.15 5.75 -0.62 -3.00 115.11 120.25 1irb h GLN 54 Ca -0.01 -0.20 0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1irb h GLN 54 Cb 1.66 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 30.09 1irb h GLN 54 CO 0.12 0.73 0.20 0.00 -2.65 0.00 0.00 178.83 177.22 1irb h ALA 55 N 0.77 0.84 0.00 3.38 0.00 -1.10 -0.97 119.26 122.18 1irb h ALA 55 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1irb h ALA 55 Cb 0.54 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1irb h ALA 55 CO 0.03 -0.26 -0.08 0.87 0.00 0.00 0.00 179.25 179.80 1irb h LYS 56 N 0.33 0.00 0.00 0.00 1.57 -1.35 0.13 116.57 117.25 1irb h LYS 56 Ca 0.35 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1irb h LYS 56 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1irb h LYS 56 CO -0.40 0.08 -0.08 0.87 -0.57 0.00 0.00 179.45 179.36 1irb h LYS 57 N 0.00 0.00 -6.71 3.15 1.57 -1.12 -3.45 116.57 110.01 1irb h LYS 57 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1irb h LYS 57 Cb 0.21 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.58 1irb h LYS 57 CO 0.01 0.08 0.89 -0.51 -0.57 0.00 0.00 179.45 179.35 1irb s LEU 58 N -6.27 4.36 0.55 2.94 1.02 0.03 -4.89 118.68 116.42 1irb s LEU 58 Ca 0.05 2.81 0.25 0.00 0.02 0.00 0.00 54.13 57.26 1irb s LEU 58 Cb 0.06 -3.61 1.59 0.00 0.02 0.00 0.00 46.19 44.25 1irb s LEU 58 CO 0.65 -0.87 2.19 0.44 0.02 0.00 0.00 176.35 178.78 1irb h ASP 59 N 5.80 0.00 -0.51 2.29 3.32 -1.89 -1.32 116.42 124.12 1irb h ASP 59 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 1irb h ASP 59 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1irb h ASP 59 CO 0.86 0.03 0.06 0.28 -1.72 0.00 0.00 179.24 178.75 1irb h SER 60 N 0.00 0.87 1.06 6.45 0.02 -1.92 -2.47 113.55 117.55 1irb h SER 60 Ca -0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1irb h SER 60 Cb 0.07 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1irb h SER 60 CO 0.00 0.89 0.00 0.00 -1.14 0.00 0.00 176.83 176.59 1irb h LYS 62 N 0.00 0.31 0.00 0.00 1.79 -1.22 -2.32 116.57 115.13 1irb h LYS 62 Ca 0.00 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 1irb h LYS 62 Cb 0.53 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1irb h LYS 62 CO 0.00 0.32 -0.57 0.28 -1.08 0.00 0.00 179.45 178.41 1irb h VAL 63 N 0.30 1.11 -2.39 0.50 2.07 -1.74 -3.42 116.25 112.69 1irb h VAL 63 Ca 0.07 -2.19 -0.53 0.00 0.82 0.00 0.00 66.70 64.88 1irb h VAL 63 Cb 0.19 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1irb h VAL 63 CO 0.00 0.55 1.19 -0.76 0.02 0.00 0.00 177.57 178.58 1irb s LEU 64 N -6.87 3.31 0.25 2.57 2.01 -0.87 -4.80 118.68 114.27 1irb s LEU 64 Ca 0.01 0.17 0.10 0.00 0.01 0.00 0.00 54.13 54.43 1irb s LEU 64 Cb 0.10 -2.76 0.25 0.00 0.01 0.00 0.00 46.19 43.79 1irb s LEU 64 CO 0.74 -1.99 1.55 1.62 1.01 0.00 0.00 176.35 179.28 1irb h VAL 65 N 6.50 1.48 -3.62 -1.59 3.04 -1.84 -3.40 116.25 116.81 1irb h VAL 65 Ca -0.27 -2.36 -0.62 0.00 -1.01 0.00 0.00 66.70 62.44 1irb h VAL 65 Cb 1.11 2.28 -0.12 0.00 -2.01 0.00 0.00 31.29 32.55 1irb h VAL 65 CO 1.21 0.67 0.40 1.51 -1.01 0.00 0.00 177.57 180.35 1irb s ASP 66 N -6.80 6.44 0.14 3.17 -4.77 -1.26 -5.02 116.67 108.57 1irb s ASP 66 Ca -0.01 -0.02 -0.04 0.00 -3.30 0.00 0.00 52.55 49.18 1irb s ASP 66 Cb 0.12 -2.40 -0.05 0.00 -1.09 0.00 0.00 42.92 39.50 1irb s ASP 66 CO 0.77 -0.93 0.37 0.20 0.70 0.00 0.00 175.17 176.29 1irb s ASN 67 N 2.13 6.48 0.41 2.11 0.01 -1.26 -4.00 114.94 120.82 1irb s ASN 67 Ca 0.31 0.57 0.16 0.00 -0.71 0.00 0.00 52.86 53.20 1irb s ASN 67 Cb -0.12 -2.08 1.05 0.00 0.41 0.00 0.00 41.25 40.51 1irb s ASN 67 CO 0.23 0.05 1.87 -0.65 -1.51 0.00 0.00 177.10 177.08 1irb h PRO 68 N 2.77 0.42 0.00 -0.60 0.11 -1.95 -2.01 132.00 130.74 1irb h PRO 68 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1irb h PRO 68 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1irb h PRO 68 CO 0.72 0.28 0.00 2.48 -0.21 0.00 0.00 178.00 181.27 1irb n TYR 69 N -4.51 0.00 0.43 0.65 4.11 -1.26 -1.90 117.16 114.67 1irb n TYR 69 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 58.13 1irb n TYR 69 Cb 0.65 -0.39 -0.05 0.00 -0.00 0.00 0.00 39.34 39.55 1irb n TYR 69 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1irb n THR 70 N -1.39 0.00 -2.49 -3.48 -2.24 -0.76 -0.75 114.28 103.18 1irb n THR 70 Ca 0.04 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 1irb n THR 70 Cb 0.11 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1irb n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1irb s ASN 71 N -1.92 6.06 0.17 3.42 3.84 -0.80 -4.77 114.94 120.94 1irb s ASN 71 Ca 0.03 -0.38 -0.31 0.00 0.21 0.00 0.00 52.86 52.41 1irb s ASN 71 Cb 0.07 -2.56 -0.09 0.00 -0.55 0.00 0.00 41.25 38.12 1irb s ASN 71 CO 0.38 -1.90 1.49 0.20 -2.79 0.00 0.00 177.10 174.48 1irb s ASN 72 N 4.31 6.67 0.34 -4.21 0.01 -1.26 0.46 114.94 121.26 1irb s ASN 72 Ca 0.39 2.55 0.04 0.00 -0.71 0.00 0.00 52.86 55.13 1irb s ASN 72 Cb -0.08 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 1irb s ASN 72 CO 0.15 -0.75 0.14 0.00 -1.51 0.00 0.00 177.10 175.13 1irb n TYR 73 N 3.59 0.01 -4.71 2.20 0.18 -1.26 -4.80 117.16 112.38 1irb n TYR 73 Ca 0.12 -2.28 -0.32 0.00 1.88 0.00 0.00 57.90 57.29 1irb n TYR 73 Cb 0.40 0.03 -0.12 0.00 -0.38 0.00 0.00 39.34 39.26 1irb n TYR 73 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1irb s SER 74 N -3.15 4.06 0.17 9.48 0.01 -1.26 -4.89 113.70 118.13 1irb s SER 74 Ca 0.20 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 56.98 1irb s SER 74 Cb 0.01 -0.80 0.05 0.00 0.21 0.00 0.00 66.02 65.49 1irb s SER 74 CO 0.14 0.30 0.55 -0.72 0.41 0.00 0.00 173.24 173.92 1irb s TYR 75 N -0.86 -0.35 0.15 2.43 1.13 -1.26 -2.13 117.35 116.46 1irb s TYR 75 Ca 0.14 0.07 0.07 0.00 -1.41 0.00 0.00 57.07 55.94 1irb s TYR 75 Cb -0.11 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1irb s TYR 75 CO 0.04 -0.87 -0.15 -1.54 -2.51 0.00 0.00 175.55 170.52 1irb s SER 76 N -2.80 2.34 -0.18 -0.18 1.04 -0.58 -4.92 113.70 108.42 1irb s SER 76 Ca 0.04 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 1irb s SER 76 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1irb s SER 76 CO -0.09 -0.12 -0.15 0.00 0.98 0.00 0.00 173.24 173.87 1irb s SER 78 N 1.13 0.28 -1.52 0.00 0.15 -0.42 -4.86 113.70 108.46 1irb s SER 78 Ca 0.01 0.28 -0.09 0.00 0.70 0.00 0.00 55.95 56.84 1irb s SER 78 Cb -0.14 0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.41 1irb s SER 78 CO -0.05 -0.19 0.70 0.59 1.20 0.00 0.00 173.24 175.49 1irb n ASN 79 N 4.66 -2.43 -2.04 5.45 4.13 -1.26 -1.01 115.26 122.76 1irb n ASN 79 Ca -0.18 -0.93 -0.14 0.00 1.68 0.00 0.00 54.58 55.02 1irb n ASN 79 Cb 0.51 -3.30 -0.03 0.00 -1.54 0.00 0.00 39.78 35.42 1irb n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1irb n ASN 80 N -2.86 -3.99 -4.42 6.41 4.13 -1.26 -4.97 115.26 108.30 1irb n ASN 80 Ca -0.11 0.23 -0.31 0.00 1.68 0.00 0.00 54.58 56.07 1irb n ASN 80 Cb 0.59 -3.49 -0.13 0.00 -1.54 0.00 0.00 39.78 35.21 1irb n ASN 80 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1irb s GLU 81 N -4.32 2.04 -0.15 3.52 2.56 -0.18 -4.49 118.70 117.68 1irb s GLU 81 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 54.97 53.90 1irb s GLU 81 Cb 0.00 -2.15 -0.04 0.00 2.00 0.00 0.00 34.13 33.94 1irb s GLU 81 CO 0.00 0.54 0.13 0.42 -0.56 0.00 0.00 175.26 175.79 1irb s ILE 82 N -0.87 5.44 -0.07 -3.70 1.01 -1.26 -1.30 121.20 120.44 1irb s ILE 82 Ca 0.13 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1irb s ILE 82 Cb -0.10 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.98 1irb s ILE 82 CO 0.04 0.55 -0.02 -0.89 0.00 0.00 0.00 174.94 174.62 1irb s THR 83 N -0.47 0.52 -0.06 2.92 2.01 -0.81 -5.00 115.64 114.74 1irb s THR 83 Ca 0.12 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1irb s THR 83 Cb -0.12 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1irb s THR 83 CO 0.02 0.27 1.05 0.00 -0.69 0.00 0.00 174.62 175.28 1irb s SER 85 N 1.16 6.06 0.25 0.00 0.15 -0.91 -4.96 113.70 115.45 1irb s SER 85 Ca 0.51 2.06 0.25 0.00 0.70 0.00 0.00 55.95 59.47 1irb s SER 85 Cb -0.21 -2.57 0.91 0.00 -1.71 0.00 0.00 66.02 62.44 1irb s SER 85 CO 0.21 -0.98 1.75 -1.54 1.20 0.00 0.00 173.24 173.88 1irb n SER 86 N -1.08 0.76 0.00 5.45 3.41 -1.26 -2.08 113.62 118.82 1irb n SER 86 Ca 0.10 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1irb n SER 86 Cb 0.52 -0.81 0.57 0.00 -0.26 0.00 0.00 64.21 64.22 1irb n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1irb n GLU 87 N -2.28 0.36 -2.21 4.33 4.71 -1.26 -4.74 120.64 119.55 1irb n GLU 87 Ca 0.04 0.07 -0.42 0.00 -0.01 0.00 0.00 57.16 56.84 1irb n GLU 87 Cb 0.32 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 1irb n GLU 87 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1irb s ASN 88 N -2.50 6.88 0.91 1.62 0.01 -0.88 -5.01 114.94 115.97 1irb s ASN 88 Ca 0.23 2.33 -0.12 0.00 -0.71 0.00 0.00 52.86 54.59 1irb s ASN 88 Cb 0.15 -2.60 0.14 0.00 0.41 0.00 0.00 41.25 39.35 1irb s ASN 88 CO 0.33 -0.58 1.12 0.20 -1.51 0.00 0.00 177.10 176.66 1irb s ASN 89 N 0.75 3.47 0.26 -1.22 0.01 -1.26 -4.65 114.94 112.30 1irb s ASN 89 Ca 0.60 1.08 -0.03 0.00 -0.71 0.00 0.00 52.86 53.81 1irb s ASN 89 Cb -0.36 -1.70 0.44 0.00 0.41 0.00 0.00 41.25 40.03 1irb s ASN 89 CO 0.34 -2.59 1.82 0.00 -1.51 0.00 0.00 177.10 175.16 1irb h ALA 90 N -1.52 1.28 0.03 0.60 0.00 -1.96 -1.08 119.26 116.61 1irb h ALA 90 Ca -0.51 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1irb h ALA 90 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1irb h ALA 90 CO 0.60 0.16 -0.01 0.00 0.00 0.00 0.00 179.25 180.00 1irb h GLU 92 N -0.27 0.38 -0.11 0.00 3.07 -1.78 -0.21 114.58 115.65 1irb h GLU 92 Ca -0.00 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1irb h GLU 92 Cb 0.25 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1irb h GLU 92 CO 0.01 0.39 -0.54 0.00 -1.40 0.00 0.00 179.01 177.47 1irb h ALA 93 N 1.66 0.88 -0.11 3.43 0.00 -1.01 0.57 119.26 124.68 1irb h ALA 93 Ca 0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1irb h ALA 93 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1irb h ALA 93 CO 0.00 0.69 -0.14 0.35 0.00 0.00 0.00 179.25 180.15 1irb h PHE 94 N 0.25 0.36 -0.85 0.00 3.57 0.72 -2.75 116.94 118.24 1irb h PHE 94 Ca 0.00 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1irb h PHE 94 Cb 1.03 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1irb h PHE 94 CO 0.03 0.73 0.45 0.82 -2.23 0.00 0.00 178.31 178.11 1irb h ILE 95 N -0.12 1.25 -0.90 1.41 2.04 -1.28 -1.92 117.51 117.99 1irb h ILE 95 Ca 0.01 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1irb h ILE 95 Cb 0.68 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1irb h ILE 95 CO 0.03 0.29 0.59 0.00 0.00 0.00 0.00 178.15 179.06 1irb h ASN 97 N 1.11 0.88 -0.21 0.00 -1.24 -1.17 0.31 115.58 115.27 1irb h ASN 97 Ca 0.36 -0.50 0.04 0.00 0.71 0.00 0.00 56.30 56.92 1irb h ASN 97 Cb 0.05 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 1irb h ASN 97 CO -0.12 1.29 -0.07 0.00 -1.29 0.00 0.00 177.43 177.24 1irb h ASP 99 N -0.04 0.95 -0.15 0.00 3.32 -0.77 -2.43 116.42 117.30 1irb h ASP 99 Ca 0.11 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1irb h ASP 99 Cb 0.19 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1irb h ASP 99 CO -0.23 0.93 -0.12 0.03 -1.72 0.00 0.00 179.24 178.12 1irb h ARG 100 N 0.92 -0.13 -0.81 3.56 3.08 -0.08 -1.65 114.38 119.26 1irb h ARG 100 Ca 0.20 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1irb h ARG 100 Cb 0.34 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1irb h ARG 100 CO 0.00 -0.09 0.42 -0.91 -1.07 0.00 0.00 179.97 178.32 1irb h ASN 101 N -0.14 1.04 -0.12 7.04 4.21 -1.33 -2.15 115.58 124.14 1irb h ASN 101 Ca 0.10 -0.12 -0.16 0.00 1.21 0.00 0.00 56.30 57.33 1irb h ASN 101 Cb 0.28 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1irb h ASN 101 CO -0.24 0.86 -0.49 0.00 -1.29 0.00 0.00 177.43 176.27 1irb h ALA 102 N 1.22 0.66 -0.43 -0.83 0.00 -1.19 -0.98 119.26 117.71 1irb h ALA 102 Ca 0.28 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1irb h ALA 102 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1irb h ALA 102 CO -0.04 0.68 -0.13 0.00 0.00 0.00 0.00 179.25 179.76 1irb h ALA 103 N 0.91 0.96 -0.21 0.00 0.00 -0.98 0.31 119.26 120.25 1irb h ALA 103 Ca 0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1irb h ALA 103 Cb 1.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1irb h ALA 103 CO 0.10 0.61 -0.39 0.82 0.00 0.00 0.00 179.25 180.39 1irb h ILE 104 N 0.71 1.32 -0.18 0.00 2.04 -1.33 -2.17 117.51 117.91 1irb h ILE 104 Ca 0.12 -1.61 0.03 0.00 1.00 0.00 0.00 64.86 64.40 1irb h ILE 104 Cb 0.62 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1irb h ILE 104 CO 0.04 0.50 -0.02 0.00 0.00 0.00 0.00 178.15 178.68 1irb h PHE 106 N 0.04 0.10 -0.00 0.00 -1.00 -0.84 0.19 116.94 115.43 1irb h PHE 106 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1irb h PHE 106 Cb 0.12 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1irb h PHE 106 CO -0.18 0.05 -0.06 -1.13 -1.61 0.00 0.00 178.31 175.38 1irb n SER 107 N -4.48 0.14 -0.28 2.17 3.41 -0.68 -3.76 113.62 110.13 1irb n SER 107 Ca 0.02 -0.07 0.07 0.00 -0.26 0.00 0.00 58.87 58.63 1irb n SER 107 Cb 0.25 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1irb n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1irb n LYS 108 N -1.29 1.89 -4.27 4.33 4.76 0.67 -5.01 118.16 119.24 1irb n LYS 108 Ca 0.12 -0.66 -0.23 0.00 -2.87 0.00 0.00 58.31 54.66 1irb n LYS 108 Cb 0.28 -1.21 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 1irb n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1irb s VAL 109 N -1.79 3.55 0.59 -0.18 -7.23 -1.15 -5.11 120.40 109.09 1irb s VAL 109 Ca 0.11 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 1irb s VAL 109 Cb 0.11 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1irb s VAL 109 CO 0.38 -0.33 1.13 -2.84 -0.31 0.00 0.00 175.10 173.13 1irb s PRO 110 N -3.56 3.10 -0.16 4.82 0.02 -1.26 -4.97 135.00 132.99 1irb s PRO 110 Ca 0.31 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.83 1irb s PRO 110 Cb -0.07 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1irb s PRO 110 CO 0.20 -1.04 -0.04 -0.47 -0.33 0.00 0.00 177.00 175.32 1irb s TYR 111 N -1.98 3.01 -0.37 6.54 5.04 -1.26 -4.42 117.35 123.92 1irb s TYR 111 Ca 0.71 -0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.02 1irb s TYR 111 Cb -0.23 -1.97 0.11 0.00 0.35 0.00 0.00 41.96 40.22 1irb s TYR 111 CO 0.33 -0.08 0.11 -0.80 -1.34 0.00 0.00 175.55 173.77 1irb s ASN 112 N 0.45 4.42 0.48 4.32 0.01 -1.26 -4.99 114.94 118.37 1irb s ASN 112 Ca -0.04 -2.19 0.33 0.00 -0.71 0.00 0.00 52.86 50.26 1irb s ASN 112 Cb -0.14 -1.38 1.45 0.00 0.41 0.00 0.00 41.25 41.59 1irb s ASN 112 CO 0.03 -0.36 1.71 0.11 -1.51 0.00 0.00 177.10 177.08 1irb h LYS 113 N 7.50 0.11 -0.89 -0.60 1.57 -1.97 0.10 116.57 122.38 1irb h LYS 113 Ca -0.07 -0.01 0.25 0.00 -1.87 0.00 0.00 60.65 58.95 1irb h LYS 113 Cb 0.99 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1irb h LYS 113 CO 0.53 0.07 0.63 0.93 -0.57 0.00 0.00 179.45 181.04 1irb h GLU 114 N 0.11 0.08 -0.02 3.15 3.07 -2.04 -0.83 114.58 118.11 1irb h GLU 114 Ca 0.71 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 1irb h GLU 114 Cb 2.46 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.35 1irb h GLU 114 CO -0.19 0.05 -0.07 0.72 -1.40 0.00 0.00 179.01 178.12 1irb n HIS 115 N -4.33 0.00 -2.30 4.33 8.25 0.02 -4.72 115.22 116.48 1irb n HIS 115 Ca 0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 1irb n HIS 115 Cb 0.91 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.96 1irb n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1irb s LYS 116 N -2.12 4.45 -1.66 -0.41 2.47 -0.32 -0.87 119.74 121.28 1irb s LYS 116 Ca 0.33 1.96 -0.16 0.00 -1.56 0.00 0.00 55.97 56.53 1irb s LYS 116 Cb 0.20 -3.21 0.14 0.00 -1.46 0.00 0.00 37.83 33.49 1irb s LYS 116 CO 0.38 -0.16 0.78 0.09 0.16 0.00 0.00 175.35 176.60 1irb n ASN 117 N 2.49 -3.25 -4.69 1.43 3.02 0.12 -4.86 115.26 109.52 1irb n ASN 117 Ca 0.05 -0.98 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 1irb n ASN 117 Cb 0.44 -2.93 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 1irb n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1irb s LEU 118 N -7.25 4.37 0.15 3.41 1.98 -1.08 -4.90 118.68 115.36 1irb s LEU 118 Ca 0.67 2.52 -0.34 0.00 -2.89 0.00 0.00 54.13 54.09 1irb s LEU 118 Cb -0.36 -3.56 -0.15 0.00 0.66 0.00 0.00 46.19 42.77 1irb s LEU 118 CO 0.91 -0.91 1.31 -0.67 -1.89 0.00 0.00 176.35 175.10 1irb n ASP 119 N 5.77 1.86 0.31 3.68 2.03 -1.26 -4.86 116.55 124.08 1irb n ASP 119 Ca 0.16 1.13 0.18 0.00 0.52 0.00 0.00 54.79 56.78 1irb n ASP 119 Cb 0.40 -1.26 0.99 0.00 -0.72 0.00 0.00 41.12 40.53 1irb n ASP 119 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1irb h ALA 120 N 4.21 1.20 0.00 -1.67 0.00 -1.95 -2.21 119.26 118.84 1irb h ALA 120 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1irb h ALA 120 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1irb h ALA 120 CO 0.76 0.03 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1irb n ALA 121 N -2.19 1.06 1.02 0.00 0.00 -1.26 -0.49 120.51 118.66 1irb n ALA 121 Ca -0.02 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1irb n ALA 121 Cb 0.13 -1.02 0.18 0.00 0.00 0.00 0.00 19.45 18.74 1irb n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1irb n ASN 122 N -1.48 0.69 -0.56 0.00 3.02 -0.83 -5.23 115.26 110.87 1irb n ASN 122 Ca 0.00 -0.49 0.07 0.00 -0.03 0.00 0.00 54.58 54.13 1irb n ASN 122 Cb 0.01 0.40 0.06 0.00 -0.61 0.00 0.00 39.78 39.64 1irb n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64