#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irb s SER 11 N 0.00 4.93 0.16 1.61 0.15 -1.26 -4.78 113.70 114.52 3irb s SER 11 Ca 0.00 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 3irb s SER 11 Cb 0.00 -1.64 0.06 0.00 -1.71 0.00 0.00 66.02 62.73 3irb s SER 11 CO 0.00 0.24 1.80 -0.07 1.20 0.00 0.00 173.24 176.41 3irb h LEU 12 N 6.16 0.40 -0.55 3.45 3.38 -1.93 -1.80 115.31 124.42 3irb h LEU 12 Ca -0.38 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3irb h LEU 12 Cb 1.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3irb h LEU 12 CO 0.60 0.29 0.10 0.25 0.09 0.00 0.00 178.44 179.77 3irb h LEU 13 N 0.51 0.87 -0.49 1.67 5.85 -1.98 -1.51 115.31 120.23 3irb h LEU 13 Ca 0.17 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3irb h LEU 13 Cb 0.02 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3irb h LEU 13 CO -0.09 0.90 0.13 0.03 -0.34 0.00 0.00 178.44 179.07 3irb h ARG 14 N 0.80 0.77 -0.66 1.25 3.08 -1.94 0.05 114.38 117.73 3irb h ARG 14 Ca 0.17 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3irb h ARG 14 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3irb h ARG 14 CO 0.01 0.74 0.23 -1.49 -1.07 0.00 0.00 179.97 178.39 3irb h TRP 15 N 0.66 1.02 -0.53 3.04 4.06 -1.26 -1.17 115.95 121.77 3irb h TRP 15 Ca 0.15 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 3irb h TRP 15 Cb 0.31 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 3irb h TRP 15 CO 0.02 0.80 0.29 -0.92 -3.56 0.00 0.00 178.44 175.07 3irb h TYR 16 N 0.97 0.72 -0.75 0.49 3.20 -0.95 -2.67 116.97 117.98 3irb h TYR 16 Ca 0.22 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3irb h TYR 16 Cb 0.24 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3irb h TYR 16 CO 0.02 0.53 0.49 -0.44 -1.64 0.00 0.00 178.16 177.11 3irb h ASP 17 N 0.71 0.83 0.00 -2.11 3.32 -0.56 -1.04 116.42 117.57 3irb h ASP 17 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3irb h ASP 17 Cb 0.04 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3irb h ASP 17 CO -0.03 0.59 0.00 0.52 -1.72 0.00 0.00 179.24 178.60 3irb n VAL 18 N -4.59 0.00 0.00 -1.35 0.31 -0.48 -0.45 118.33 111.77 3irb n VAL 18 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3irb n VAL 18 Cb 0.05 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 3irb n VAL 18 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3irb n GLU 20 N 0.63 0.00 -0.29 5.55 -0.58 -0.40 -0.82 120.64 124.73 3irb n GLU 20 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 3irb n GLU 20 Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 3irb n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3irb h ALA 21 N 0.00 1.08 -0.74 0.62 0.00 -1.01 -0.74 119.26 118.47 3irb h ALA 21 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3irb h ALA 21 Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 3irb h ALA 21 CO 0.00 0.31 0.38 0.93 0.00 0.00 0.00 179.25 180.87 3irb h GLU 22 N 0.99 0.62 0.01 0.00 4.39 -1.22 0.74 114.58 120.11 3irb h GLU 22 Ca 0.33 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 3irb h GLU 22 Cb 0.05 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3irb h GLU 22 CO -0.13 0.41 -0.00 -0.09 -1.16 0.00 0.00 179.01 178.04 3irb h ARG 23 N 0.64 -0.01 0.00 2.33 2.43 -1.70 -2.52 114.38 115.55 3irb h ARG 23 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3irb h ARG 23 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3irb h ARG 23 CO -0.27 0.60 -0.82 0.66 -1.51 0.00 0.00 179.97 178.63 3irb n TYR 24 N -4.80 0.25 0.00 2.20 4.01 -0.33 -4.22 117.16 114.26 3irb n TYR 24 Ca -0.09 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3irb n TYR 24 Cb 0.31 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 3irb n TYR 24 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3irb n GLU 25 N -1.86 0.00 0.00 -0.72 1.02 0.25 -4.82 120.64 114.51 3irb n GLU 25 Ca 0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 3irb n GLU 25 Cb 0.41 -0.74 0.16 0.00 -0.02 0.00 0.00 31.44 31.25 3irb n GLU 25 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3irb n TYR 26 N -2.67 0.00 -3.18 -0.32 4.01 -0.59 -5.01 117.16 109.39 3irb n TYR 26 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 3irb n TYR 26 Cb 0.47 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 3irb n TYR 26 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3irb s THR 27 N -2.87 5.03 0.00 -0.72 2.01 -0.95 -5.03 115.64 113.10 3irb s THR 27 Ca 0.13 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.01 3irb s THR 27 Cb 0.17 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3irb s THR 27 CO 0.70 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 3irb n GLY 29 N -1.61 -0.59 0.35 4.40 0.00 -1.26 -4.90 105.19 101.57 3irb n GLY 29 Ca -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 3irb n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3irb h PRO 30 N 0.00 1.14 -0.43 1.61 0.13 -2.00 -1.89 132.00 130.57 3irb h PRO 30 Ca 0.00 -0.16 -0.15 0.00 -0.87 0.00 0.00 66.00 64.82 3irb h PRO 30 Cb 0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 30.91 3irb h PRO 30 CO 0.00 0.88 -0.31 0.00 -0.23 0.00 0.00 178.00 178.33 3irb h ALA 31 N 1.29 0.63 -0.69 -0.56 0.00 -1.91 -1.87 119.26 116.15 3irb h ALA 31 Ca 0.28 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3irb h ALA 31 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3irb h ALA 31 CO -0.04 0.68 0.25 0.78 0.00 0.00 0.00 179.25 180.92 3irb h GLY 32 N 0.82 1.10 1.40 0.00 0.00 -1.63 -1.37 103.07 103.40 3irb h GLY 32 Ca 0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 3irb h GLY 32 CO 0.08 0.57 -0.15 -2.09 0.00 0.00 0.00 176.54 174.95 3irb h GLU 33 N 1.00 0.70 -0.73 4.80 4.81 -1.17 -1.74 114.58 122.25 3irb h GLU 33 Ca 0.23 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3irb h GLU 33 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3irb h GLU 33 CO -0.02 0.82 0.26 1.96 -0.73 0.00 0.00 179.01 181.30 3irb h GLN 34 N 0.63 1.10 -0.06 1.92 1.08 -0.75 -0.89 115.11 118.15 3irb h GLN 34 Ca 0.10 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3irb h GLN 34 Cb 0.62 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3irb h GLN 34 CO 0.04 0.92 0.02 0.35 -0.95 0.00 0.00 178.83 179.20 3irb h PHE 35 N 1.07 0.09 -0.16 2.96 3.57 -0.80 -0.55 116.94 123.12 3irb h PHE 35 Ca 0.24 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 3irb h PHE 35 Cb 0.25 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3irb h PHE 35 CO 0.02 0.27 -0.44 0.74 -2.23 0.00 0.00 178.31 176.68 3irb h PHE 36 N -0.11 0.45 -0.36 0.41 0.04 -1.28 -2.15 116.94 113.93 3irb h PHE 36 Ca 0.02 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 3irb h PHE 36 Cb 0.23 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3irb h PHE 36 CO -0.00 0.75 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.55 3irb h ASN 37 N 0.31 0.54 -0.58 2.17 2.35 -1.14 -2.88 115.58 116.34 3irb h ASN 37 Ca 0.02 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3irb h ASN 37 Cb 0.90 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 3irb h ASN 37 CO 0.07 0.61 0.33 1.23 -1.65 0.00 0.00 177.43 178.03 3irb h GLY 38 N 0.87 0.82 0.98 2.83 0.00 -0.53 -2.44 103.07 105.61 3irb h GLY 38 Ca 0.11 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.28 3irb h GLY 38 CO 0.01 0.18 0.49 1.41 0.00 0.00 0.00 176.54 178.63 3irb h LEU 39 N 0.65 0.65 -2.08 3.11 3.38 -1.19 -0.39 115.31 119.45 3irb h LEU 39 Ca 0.24 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3irb h LEU 39 Cb 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3irb h LEU 39 CO -0.13 0.41 -0.08 0.11 0.09 0.00 0.00 178.44 178.84 3irb h LYS 40 N 0.74 0.00 -0.67 1.13 6.56 -1.37 -1.66 116.57 121.30 3irb h LYS 40 Ca 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 3irb h LYS 40 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 3irb h LYS 40 CO -0.11 0.08 0.00 1.04 -2.06 0.00 0.00 179.45 178.40 3irb n GLN 41 N -3.79 3.71 -3.60 3.15 6.02 -0.26 -4.96 117.38 117.65 3irb n GLN 41 Ca -0.02 -2.90 -0.22 0.00 -0.01 0.00 0.00 57.00 53.84 3irb n GLN 41 Cb 0.18 -1.89 0.07 0.00 1.02 0.00 0.00 30.24 29.62 3irb n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3irb n ASN 42 N 1.20 -3.97 -4.26 1.08 4.13 -0.62 -5.02 115.26 107.80 3irb n ASN 42 Ca 0.26 -0.64 -0.20 0.00 1.68 0.00 0.00 54.58 55.68 3irb n ASN 42 Cb 0.89 -4.77 -0.12 0.00 -1.54 0.00 0.00 39.78 34.24 3irb n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3irb s LYS 43 N -5.99 1.08 -0.30 3.52 1.02 -0.55 -5.00 119.74 113.51 3irb s LYS 43 Ca 0.32 -1.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.03 3irb s LYS 43 Cb -0.15 -1.12 0.02 0.00 -0.52 0.00 0.00 37.83 36.07 3irb s LYS 43 CO 0.76 0.24 0.07 0.42 -0.92 0.00 0.00 175.35 175.91 3irb s ILE 44 N -1.75 3.74 -0.23 2.17 -1.09 -1.26 -3.04 121.20 119.75 3irb s ILE 44 Ca 0.08 -0.90 -0.08 0.00 -2.23 0.00 0.00 60.65 57.52 3irb s ILE 44 Cb -0.07 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 3irb s ILE 44 CO 0.04 0.00 0.08 -0.63 -1.23 0.00 0.00 174.94 173.21 3irb s ILE 45 N 1.44 4.64 0.38 2.92 -1.09 -1.26 -0.13 121.20 128.10 3irb s ILE 45 Ca 0.01 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.39 3irb s ILE 45 Cb -0.18 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3irb s ILE 45 CO 0.02 0.37 0.26 0.61 -1.23 0.00 0.00 174.94 174.97 3irb n GLY 46 N 4.41 2.90 3.21 6.18 0.00 0.12 -2.18 105.19 119.82 3irb n GLY 46 Ca -0.16 -2.26 -0.22 0.00 0.00 0.00 0.00 46.02 43.38 3irb n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3irb s SER 47 N -3.21 2.06 -0.17 1.61 1.04 -0.63 -0.55 113.70 113.86 3irb s SER 47 Ca 0.20 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.09 3irb s SER 47 Cb -0.02 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.00 3irb s SER 47 CO 0.13 0.05 -0.20 -0.75 0.98 0.00 0.00 173.24 173.44 3irb s LYS 48 N -1.45 2.97 -0.01 4.02 2.20 0.02 -0.74 119.74 126.76 3irb s LYS 48 Ca 0.03 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 3irb s LYS 48 Cb -0.09 -2.52 -0.06 0.00 -1.51 0.00 0.00 37.83 33.65 3irb s LYS 48 CO 0.02 -0.16 1.54 0.00 -0.36 0.00 0.00 175.35 176.39 3irb h SER 50 N 8.54 0.00 0.00 0.00 4.64 -1.90 -1.08 113.55 123.75 3irb h SER 50 Ca -0.39 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.73 3irb h SER 50 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3irb h SER 50 CO 0.93 0.00 -1.18 1.17 -0.87 0.00 0.00 176.83 176.88 3irb n LYS 51 N -2.48 0.55 -0.00 4.77 4.81 -1.26 -4.62 118.16 119.92 3irb n LYS 51 Ca 0.01 0.57 0.08 0.00 -0.87 0.00 0.00 58.31 58.10 3irb n LYS 51 Cb 0.22 -1.74 -0.10 0.00 0.02 0.00 0.00 35.03 33.44 3irb n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3irb n GLY 53 N 1.41 1.25 3.77 0.00 0.00 -0.41 -5.01 105.19 106.19 3irb n GLY 53 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3irb n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3irb s ARG 54 N -0.03 3.85 -0.12 1.61 0.52 -1.26 -4.68 118.95 118.84 3irb s ARG 54 Ca 0.00 2.13 -0.02 0.00 -0.52 0.00 0.00 55.73 57.32 3irb s ARG 54 Cb 0.00 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 3irb s ARG 54 CO 0.00 -0.59 -0.05 0.42 0.02 0.00 0.00 175.30 175.11 3irb s ILE 55 N -1.30 3.84 -0.05 1.52 1.01 -1.26 -1.14 121.20 123.83 3irb s ILE 55 Ca 0.59 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.90 3irb s ILE 55 Cb -0.37 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3irb s ILE 55 CO 0.47 0.53 -0.20 -0.36 0.00 0.00 0.00 174.94 175.39 3irb s PHE 56 N -0.06 2.55 -0.03 3.97 0.08 0.09 -0.32 117.98 124.25 3irb s PHE 56 Ca 0.01 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.74 3irb s PHE 56 Cb -0.13 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3irb s PHE 56 CO 0.03 0.03 -0.14 0.54 -0.10 0.00 0.00 175.22 175.58 3irb s VAL 57 N -0.54 1.16 1.01 -0.44 0.11 -0.41 -1.60 120.40 119.69 3irb s VAL 57 Ca 0.07 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 3irb s VAL 57 Cb -0.11 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 33.93 3irb s VAL 57 CO 0.01 0.34 1.09 -2.84 -3.33 0.00 0.00 175.10 170.37 3irb s PRO 58 N 0.05 0.29 0.30 1.54 0.02 -1.26 -2.96 135.00 132.97 3irb s PRO 58 Ca -0.02 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 61.86 3irb s PRO 58 Cb -0.10 -1.67 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 3irb s PRO 58 CO 0.01 -3.00 1.15 0.00 -0.33 0.00 0.00 177.00 174.84 3irb n ALA 59 N -4.45 0.42 -2.31 -1.55 0.00 -0.93 -4.72 120.51 106.98 3irb n ALA 59 Ca 0.07 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 3irb n ALA 59 Cb 0.53 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 3irb n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3irb s ARG 60 N -1.52 0.87 0.03 0.00 1.70 -1.26 -4.07 118.95 114.71 3irb s ARG 60 Ca 0.59 -1.29 0.25 0.00 -0.47 0.00 0.00 55.73 54.82 3irb s ARG 60 Cb -0.65 -0.39 0.56 0.00 -0.57 0.00 0.00 34.95 33.90 3irb s ARG 60 CO 0.60 0.03 1.46 -1.13 -1.08 0.00 0.00 175.30 175.18 3irb n SER 61 N 0.15 0.49 -4.14 -2.89 3.41 -1.26 -4.68 113.62 104.69 3irb n SER 61 Ca -0.13 -0.05 -0.21 0.00 -0.26 0.00 0.00 58.87 58.22 3irb n SER 61 Cb 0.60 0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 64.52 3irb n SER 61 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3irb s TYR 62 N -3.04 1.30 0.04 7.33 1.51 -1.26 -0.14 117.35 123.09 3irb s TYR 62 Ca 0.10 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 3irb s TYR 62 Cb 0.17 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 3irb s TYR 62 CO 0.68 0.02 0.94 0.00 -1.11 0.00 0.00 175.55 176.08 3irb n GLU 64 N 3.40 1.65 -0.08 0.00 1.02 -1.26 -0.77 120.64 124.60 3irb n GLU 64 Ca 0.04 -0.98 -0.14 0.00 -0.02 0.00 0.00 57.16 56.05 3irb n GLU 64 Cb 0.50 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 3irb n GLU 64 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3irb n HIS 65 N 0.23 0.00 0.06 -0.32 8.25 -1.26 -4.77 115.22 117.40 3irb n HIS 65 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3irb n HIS 65 Cb 0.28 -0.58 -0.06 0.00 1.12 0.00 0.00 29.99 30.76 3irb n HIS 65 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3irb n PHE 67 N -3.01 -2.16 -4.31 0.00 3.72 0.05 -5.01 117.46 106.74 3irb n PHE 67 Ca -0.06 0.63 -0.23 0.00 -0.05 0.00 0.00 57.45 57.74 3irb n PHE 67 Cb 0.83 -4.48 -0.08 0.00 -0.94 0.00 0.00 39.48 34.81 3irb n PHE 67 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3irb s VAL 68 N -3.20 3.28 0.36 -4.37 -7.23 -1.26 -4.88 120.40 103.11 3irb s VAL 68 Ca 0.38 -1.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 3irb s VAL 68 Cb -0.17 -2.78 -0.10 0.00 0.56 0.00 0.00 36.38 33.89 3irb s VAL 68 CO 0.47 -0.36 1.28 -0.54 -0.31 0.00 0.00 175.10 175.64 3irb s LYS 69 N -3.66 4.20 -0.08 4.82 3.01 -1.26 -1.42 119.74 125.35 3irb s LYS 69 Ca 0.32 2.14 -0.00 0.00 -1.01 0.00 0.00 55.97 57.41 3irb s LYS 69 Cb -0.06 -2.92 -0.03 0.00 -1.01 0.00 0.00 37.83 33.81 3irb s LYS 69 CO 0.19 -0.29 -0.05 0.42 0.51 0.00 0.00 175.35 176.13 3irb s ILE 70 N -1.21 3.84 0.00 2.17 1.01 0.81 -4.84 121.20 122.97 3irb s ILE 70 Ca 0.52 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3irb s ILE 70 Cb -0.38 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3irb s ILE 70 CO 0.49 0.58 0.00 -1.84 0.00 0.00 0.00 174.94 174.18 3irb n GLU 71 N 2.40 4.70 -3.66 2.79 0.00 -1.26 -4.71 120.64 120.90 3irb n GLU 71 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.59 3irb n GLU 71 Cb 0.53 -0.46 -0.12 0.00 0.00 0.00 0.00 31.44 31.39 3irb n GLU 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3irb s ASN 72 N -0.88 5.55 -0.10 -1.84 2.47 -1.26 -5.05 114.94 113.83 3irb s ASN 72 Ca 0.00 -0.93 -0.13 0.00 0.42 0.00 0.00 52.86 52.22 3irb s ASN 72 Cb 0.00 -1.97 -0.05 0.00 -1.45 0.00 0.00 41.25 37.78 3irb s ASN 72 CO 0.00 -0.33 0.31 -0.31 -3.72 0.00 0.00 177.10 173.05 3irb s TYR 73 N 1.52 3.58 0.07 0.43 2.02 -1.26 -0.80 117.35 122.91 3irb s TYR 73 Ca 0.02 0.73 0.06 0.00 -0.37 0.00 0.00 57.07 57.50 3irb s TYR 73 Cb -0.19 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 3irb s TYR 73 CO 0.05 0.47 -0.16 0.14 -1.57 0.00 0.00 175.55 174.49 3irb s VAL 74 N -0.35 1.28 -0.10 0.71 -7.23 0.29 -4.93 120.40 110.07 3irb s VAL 74 Ca 0.19 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 3irb s VAL 74 Cb -0.14 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 3irb s VAL 74 CO 0.07 -0.10 0.90 -1.61 -0.31 0.00 0.00 175.10 174.05 3irb s GLU 75 N -1.57 4.41 0.22 4.82 2.02 -1.26 0.12 118.70 127.46 3irb s GLU 75 Ca 0.01 1.20 -0.18 0.00 0.02 0.00 0.00 54.97 56.02 3irb s GLU 75 Cb -0.09 -3.52 -0.08 0.00 0.10 0.00 0.00 34.13 30.53 3irb s GLU 75 CO 0.02 -0.21 0.69 0.42 0.02 0.00 0.00 175.26 176.21 3irb s ILE 76 N 1.68 4.64 -0.73 -1.63 1.01 0.82 -4.92 121.20 122.06 3irb s ILE 76 Ca 0.44 1.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.98 3irb s ILE 76 Cb -0.18 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3irb s ILE 76 CO 0.18 0.15 1.71 0.21 0.00 0.00 0.00 174.94 177.20 3irb s ASN 77 N -1.76 5.55 0.66 3.58 3.84 -1.26 -4.53 114.94 121.01 3irb s ASN 77 Ca 0.44 -0.18 0.38 0.00 0.21 0.00 0.00 52.86 53.71 3irb s ASN 77 Cb -0.15 -2.55 2.08 0.00 -0.55 0.00 0.00 41.25 40.08 3irb s ASN 77 CO 0.20 -2.26 2.20 0.07 -2.79 0.00 0.00 177.10 174.52 3irb h LYS 78 N 12.74 0.00 -0.00 0.43 2.10 -1.94 -1.32 116.57 128.57 3irb h LYS 78 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3irb h LYS 78 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3irb h LYS 78 CO 1.25 0.00 -0.02 -0.25 -2.00 0.00 0.00 179.45 178.43 3irb n ASP 79 N -3.13 0.41 -1.00 7.07 8.00 -1.26 -3.57 116.55 123.07 3irb n ASP 79 Ca -0.02 -0.98 0.08 0.00 0.71 0.00 0.00 54.79 54.58 3irb n ASP 79 Cb 0.20 -0.03 0.25 0.00 -0.02 0.00 0.00 41.12 41.51 3irb n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3irb n GLU 80 N -0.75 3.12 -2.02 -1.24 1.02 -0.50 -4.98 120.64 115.29 3irb n GLU 80 Ca 0.21 -2.52 -0.40 0.00 -0.02 0.00 0.00 57.16 54.42 3irb n GLU 80 Cb 0.20 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3irb n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3irb s ALA 81 N -1.71 3.42 0.10 0.62 0.00 -1.23 -4.32 121.76 118.64 3irb s ALA 81 Ca 0.37 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.64 3irb s ALA 81 Cb 0.24 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3irb s ALA 81 CO 0.17 -0.81 0.03 1.52 0.00 0.00 0.00 175.76 176.67 3irb s TYR 82 N -1.18 0.72 -0.35 0.00 1.13 -0.24 -1.29 117.35 116.13 3irb s TYR 82 Ca 0.53 -1.16 -0.23 0.00 -1.41 0.00 0.00 57.07 54.79 3irb s TYR 82 Cb -0.41 -0.44 0.01 0.00 -1.10 0.00 0.00 41.96 40.03 3irb s TYR 82 CO 0.54 -0.47 0.80 0.08 -2.51 0.00 0.00 175.55 173.99 3irb s VAL 83 N -4.00 4.73 -0.03 -3.49 1.01 -0.07 -1.25 120.40 117.31 3irb s VAL 83 Ca 0.17 0.97 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 3irb s VAL 83 Cb 0.08 -4.21 -0.30 0.00 0.00 0.00 0.00 36.38 31.94 3irb s VAL 83 CO -0.03 -0.41 0.73 -0.78 0.00 0.00 0.00 175.10 174.61 3irb h ASP 84 N 8.42 0.58 -5.05 3.32 3.58 -1.43 0.49 116.42 126.32 3irb h ASP 84 Ca -0.24 -0.83 0.16 0.00 0.42 0.00 0.00 57.03 56.54 3irb h ASP 84 Cb 1.09 -0.19 -0.11 0.00 1.72 0.00 0.00 39.33 41.84 3irb h ASP 84 CO 0.91 1.70 0.52 -0.94 -2.88 0.00 0.00 179.24 178.56 3irb s SER 85 N -7.23 -0.24 -0.04 2.28 1.04 -1.18 -4.78 113.70 103.55 3irb s SER 85 Ca -0.14 -0.21 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 3irb s SER 85 Cb 0.06 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.68 3irb s SER 85 CO 0.86 -0.73 0.78 -0.72 0.98 0.00 0.00 173.24 174.41 3irb s TYR 86 N -3.13 -0.52 -0.10 5.02 1.13 -1.26 -1.25 117.35 117.23 3irb s TYR 86 Ca 0.09 0.75 0.02 0.00 -1.41 0.00 0.00 57.07 56.52 3irb s TYR 86 Cb -0.01 0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 3irb s TYR 86 CO -0.03 -0.57 -0.16 0.99 -2.51 0.00 0.00 175.55 173.28 3irb s THR 87 N -1.82 2.86 -0.13 -3.49 2.01 0.16 -4.99 115.64 110.23 3irb s THR 87 Ca -0.04 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 3irb s THR 87 Cb -0.00 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 3irb s THR 87 CO 0.02 0.55 0.32 -0.63 -0.69 0.00 0.00 174.62 174.18 3irb s ILE 88 N 0.01 5.27 -0.18 1.82 1.01 -1.26 -1.39 121.20 126.48 3irb s ILE 88 Ca -0.05 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 3irb s ILE 88 Cb -0.14 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3irb s ILE 88 CO 0.04 0.42 0.01 -0.63 0.00 0.00 0.00 174.94 174.78 3irb s ILE 89 N 0.21 4.23 -0.17 2.92 1.01 0.68 -4.97 121.20 125.11 3irb s ILE 89 Ca 0.18 -0.23 0.16 0.00 0.00 0.00 0.00 60.65 60.77 3irb s ILE 89 Cb -0.14 -2.89 -0.24 0.00 0.01 0.00 0.00 42.46 39.21 3irb s ILE 89 CO 0.06 0.46 0.42 -1.22 0.00 0.00 0.00 174.94 174.65 3irb n TYR 90 N 3.80 0.00 -4.34 3.97 4.01 -1.26 -1.24 117.16 122.10 3irb n TYR 90 Ca -0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.32 3irb n TYR 90 Cb 0.52 -0.29 -0.13 0.00 -0.31 0.00 0.00 39.34 39.13 3irb n TYR 90 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3irb s ASN 91 N -3.58 2.63 0.94 7.72 0.01 -1.26 -0.12 114.94 121.28 3irb s ASN 91 Ca -0.03 -0.68 -0.15 0.00 -0.71 0.00 0.00 52.86 51.29 3irb s ASN 91 Cb 0.11 -0.16 0.19 0.00 0.41 0.00 0.00 41.25 41.80 3irb s ASN 91 CO 0.67 0.09 1.29 1.51 -1.51 0.00 0.00 177.10 179.15 3irb s ASP 92 N -1.84 3.24 0.00 -1.22 1.47 0.62 -4.67 116.67 114.27 3irb s ASP 92 Ca 0.07 0.23 0.31 0.00 1.18 0.00 0.00 52.55 54.34 3irb s ASP 92 Cb -0.10 -0.30 1.69 0.00 -0.34 0.00 0.00 42.92 43.87 3irb s ASP 92 CO 0.04 -2.65 2.10 0.47 0.68 0.00 0.00 175.17 175.82 3irb n ASP 93 N -3.68 0.31 -0.60 2.11 8.00 -1.26 -1.16 116.55 120.27 3irb n ASP 93 Ca 0.15 -1.12 0.12 0.00 0.71 0.00 0.00 54.79 54.65 3irb n ASP 93 Cb 0.60 -0.00 0.41 0.00 -0.02 0.00 0.00 41.12 42.10 3irb n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3irb n GLU 94 N -0.75 1.82 -0.68 -1.24 1.02 -1.26 -4.96 120.64 114.59 3irb n GLU 94 Ca 0.22 -1.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 3irb n GLU 94 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3irb n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3irb n GLY 95 N 1.20 0.81 3.78 0.62 0.00 -0.31 -5.04 105.19 106.25 3irb n GLY 95 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3irb n GLY 95 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3irb s ASN 96 N -2.84 7.14 0.30 1.61 0.01 -1.26 -4.77 114.94 115.13 3irb s ASN 96 Ca 0.00 1.93 -0.29 0.00 -0.71 0.00 0.00 52.86 53.78 3irb s ASN 96 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 3irb s ASN 96 CO 0.00 -0.22 1.35 -0.54 -1.51 0.00 0.00 177.10 176.18 3irb s LYS 97 N -2.19 4.33 0.25 -0.60 -0.14 -1.26 -0.28 119.74 119.85 3irb s LYS 97 Ca 0.53 2.24 -0.30 0.00 -1.36 0.00 0.00 55.97 57.07 3irb s LYS 97 Cb -0.20 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 3irb s LYS 97 CO 0.26 -0.26 0.96 -0.51 -0.76 0.00 0.00 175.35 175.03 3irb s LEU 98 N -1.32 4.63 0.29 3.17 1.43 0.83 -4.79 118.68 122.91 3irb s LEU 98 Ca 0.52 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.62 3irb s LEU 98 Cb -0.40 -3.63 0.43 0.00 0.03 0.00 0.00 46.19 42.62 3irb s LEU 98 CO 0.50 0.12 1.75 0.00 0.23 0.00 0.00 176.35 178.95 3irb h ALA 99 N 4.07 1.15 -3.57 4.21 0.00 -1.94 -3.39 119.26 119.79 3irb h ALA 99 Ca -0.45 -0.31 -0.63 0.00 0.00 0.00 0.00 54.91 53.52 3irb h ALA 99 Cb 1.20 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.46 3irb h ALA 99 CO 0.68 0.54 -0.75 -1.14 0.00 0.00 0.00 179.25 178.58 3irb s GLN 100 N -4.66 1.39 0.66 0.00 2.00 -1.26 -5.12 119.66 112.68 3irb s GLN 100 Ca -0.07 -1.47 -0.17 0.00 -2.00 0.00 0.00 55.36 51.64 3irb s GLN 100 Cb 0.14 -2.77 -0.01 0.00 0.80 0.00 0.00 33.01 31.17 3irb s GLN 100 CO 0.79 -0.85 1.13 -2.30 -0.50 0.00 0.00 175.29 173.56 3irb n PRO 101 N 4.49 0.86 -4.15 1.67 -0.02 -1.26 -5.00 135.00 131.59 3irb n PRO 101 Ca -0.02 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 3irb n PRO 101 Cb 0.42 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 3irb n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3irb s VAL 102 N -1.56 4.60 -0.15 -1.45 1.01 -0.37 -4.93 120.40 117.54 3irb s VAL 102 Ca 0.79 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3irb s VAL 102 Cb -0.38 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 3irb s VAL 102 CO 0.45 0.37 -0.15 -0.31 0.00 0.00 0.00 175.10 175.46 3irb s TYR 103 N -1.15 2.78 -0.30 5.22 1.51 -1.25 -0.23 117.35 123.93 3irb s TYR 103 Ca 0.22 -1.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.14 3irb s TYR 103 Cb -0.12 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3irb s TYR 103 CO 0.12 -0.46 0.20 0.42 -1.11 0.00 0.00 175.55 174.71 3irb s ILE 104 N 0.80 5.18 0.19 2.71 -1.09 -0.49 -1.50 121.20 127.01 3irb s ILE 104 Ca -0.05 -0.02 0.11 0.00 -2.23 0.00 0.00 60.65 58.45 3irb s ILE 104 Cb -0.15 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3irb s ILE 104 CO 0.00 0.16 -0.22 0.00 -1.23 0.00 0.00 174.94 173.65 3irb s ALA 105 N 1.73 2.60 -0.30 9.38 0.00 0.51 -0.66 121.76 135.02 3irb s ALA 105 Ca 0.06 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.33 3irb s ALA 105 Cb -0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3irb s ALA 105 CO 0.10 0.44 0.13 -1.17 0.00 0.00 0.00 175.76 175.27 3irb s LEU 106 N -2.67 3.96 -0.06 0.00 2.96 -0.38 -0.68 118.68 121.80 3irb s LEU 106 Ca 0.21 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 3irb s LEU 106 Cb -0.08 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3irb s LEU 106 CO 0.11 -0.15 0.21 0.27 -1.32 0.00 0.00 176.35 175.46 3irb s ILE 107 N 1.62 5.38 0.35 6.68 -4.36 0.30 -1.02 121.20 130.15 3irb s ILE 107 Ca 0.05 0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.74 3irb s ILE 107 Cb -0.17 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.00 3irb s ILE 107 CO 0.06 0.54 0.09 -0.13 0.24 0.00 0.00 174.94 175.73 3irb s ARG 108 N -1.27 1.73 0.00 0.37 0.52 -0.38 -0.69 118.95 119.24 3irb s ARG 108 Ca 0.20 -2.00 0.02 0.00 -0.52 0.00 0.00 55.73 53.43 3irb s ARG 108 Cb -0.13 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.63 3irb s ARG 108 CO 0.09 -0.31 -0.05 -0.06 0.02 0.00 0.00 175.30 174.99 3irb s PHE 109 N -3.32 0.47 0.23 -0.53 0.40 -1.26 -1.08 117.98 112.89 3irb s PHE 109 Ca 0.31 -0.14 -0.32 0.00 -0.60 0.00 0.00 56.93 56.19 3irb s PHE 109 Cb 0.06 -0.30 -0.13 0.00 0.51 0.00 0.00 43.02 43.17 3irb s PHE 109 CO 0.15 -0.02 1.54 -2.30 0.70 0.00 0.00 175.22 175.28 3irb n PRO 110 N 2.76 2.31 -1.27 0.24 -0.02 -1.26 -2.34 135.00 135.42 3irb n PRO 110 Ca -0.14 0.83 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 3irb n PRO 110 Cb 0.58 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 3irb n PRO 110 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3irb n ASN 111 N 2.72 -4.44 -4.15 2.55 5.03 -1.26 -4.99 115.26 110.72 3irb n ASN 111 Ca 0.13 0.23 -0.30 0.00 0.87 0.00 0.00 54.58 55.51 3irb n ASN 111 Cb 0.32 -2.77 -0.17 0.00 -1.02 0.00 0.00 39.78 36.15 3irb n ASN 111 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3irb s ILE 112 N -2.24 1.75 0.43 2.41 -1.09 -0.99 -4.57 121.20 116.90 3irb s ILE 112 Ca 0.00 -0.83 -0.23 0.00 -2.23 0.00 0.00 60.65 57.36 3irb s ILE 112 Cb 0.00 -1.54 -0.09 0.00 -1.58 0.00 0.00 42.46 39.25 3irb s ILE 112 CO 0.00 0.49 1.04 -1.61 -1.23 0.00 0.00 174.94 173.63 3irb s GLU 113 N 0.51 4.06 0.47 2.79 0.41 0.57 -4.56 118.70 122.94 3irb s GLU 113 Ca -0.16 1.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.85 3irb s GLU 113 Cb -0.17 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 3irb s GLU 113 CO 0.06 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 3irb n GLY 114 N 0.13 -2.24 3.83 -1.39 0.00 -1.26 -1.29 105.19 102.96 3irb n GLY 114 Ca 0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 3irb n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3irb s GLY 115 N -0.81 0.01 -0.14 -0.02 0.00 -1.16 -4.69 107.32 100.51 3irb s GLY 115 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3irb s GLY 115 CO 0.00 1.23 -0.17 1.08 0.00 0.00 0.00 173.10 175.24 3irb s LEU 116 N -3.20 2.44 0.23 0.66 1.43 0.13 -4.38 118.68 116.00 3irb s LEU 116 Ca 0.18 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3irb s LEU 116 Cb -0.02 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 3irb s LEU 116 CO 0.05 0.12 1.16 -0.76 0.23 0.00 0.00 176.35 177.14 3irb s LEU 117 N 0.60 4.49 0.13 1.79 1.43 -1.26 -0.54 118.68 125.33 3irb s LEU 117 Ca -0.10 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.13 3irb s LEU 117 Cb -0.16 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.47 3irb s LEU 117 CO 0.03 -0.28 0.38 0.00 0.23 0.00 0.00 176.35 176.72 3irb s TYR 119 N -3.83 3.79 0.01 0.00 2.02 -0.52 -0.36 117.35 118.46 3irb s TYR 119 Ca 0.05 1.46 0.06 0.00 -0.37 0.00 0.00 57.07 58.27 3irb s TYR 119 Cb 0.02 -2.73 -0.02 0.00 -0.40 0.00 0.00 41.96 38.83 3irb s TYR 119 CO -0.10 0.41 -0.20 0.00 -1.57 0.00 0.00 175.55 174.09 3irb s ALA 120 N -0.57 1.65 0.14 3.71 0.00 -0.56 -0.71 121.76 125.42 3irb s ALA 120 Ca 0.35 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.42 3irb s ALA 120 Cb -0.21 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3irb s ALA 120 CO 0.23 0.39 -0.09 -1.83 0.00 0.00 0.00 175.76 174.46 3irb s GLU 121 N -0.77 1.01 0.00 0.00 -1.05 -0.08 -3.91 118.70 113.89 3irb s GLU 121 Ca 0.07 -1.43 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 3irb s GLU 121 Cb -0.08 -0.50 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 3irb s GLU 121 CO 0.00 0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.66 3irb n GLY 122 N -0.16 0.38 3.01 -3.83 0.00 -1.26 -0.11 105.19 103.21 3irb n GLY 122 Ca -0.10 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 3irb n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3irb n ASN 123 N 0.00 5.22 -4.65 1.61 4.05 -0.50 -4.92 115.26 116.07 3irb n ASN 123 Ca 0.00 -3.10 -0.43 0.00 0.45 0.00 0.00 54.58 51.50 3irb n ASN 123 Cb 0.00 -1.48 -0.02 0.00 1.23 0.00 0.00 39.78 39.51 3irb n ASN 123 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3irb s VAL 124 N 0.38 4.05 -0.02 3.44 1.01 -1.26 -4.74 120.40 123.26 3irb s VAL 124 Ca 0.39 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 3irb s VAL 124 Cb 0.06 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.59 3irb s VAL 124 CO 0.01 -0.19 0.23 -0.54 0.00 0.00 0.00 175.10 174.62 3irb s LYS 125 N 3.84 0.54 0.45 2.72 -0.14 -1.26 -5.11 119.74 120.79 3irb s LYS 125 Ca 0.61 -0.20 -0.25 0.00 -1.36 0.00 0.00 55.97 54.77 3irb s LYS 125 Cb -0.24 0.24 -0.08 0.00 -1.68 0.00 0.00 37.83 36.07 3irb s LYS 125 CO 0.21 -0.14 1.32 0.14 -0.76 0.00 0.00 175.35 176.12 3irb s VAL 126 N -1.15 2.47 0.00 3.17 -7.23 -1.26 -2.02 120.40 114.38 3irb s VAL 126 Ca -0.12 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 3irb s VAL 126 Cb -0.06 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.66 3irb s VAL 126 CO 0.03 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 3irb n GLY 127 N 0.63 2.67 3.77 2.32 0.00 0.17 -4.96 105.19 109.79 3irb n GLY 127 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3irb n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irb s ALA 128 N -2.40 3.20 0.35 4.61 0.00 -0.86 -4.60 121.76 122.06 3irb s ALA 128 Ca 0.00 0.94 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 3irb s ALA 128 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 3irb s ALA 128 CO 0.00 -0.45 1.30 0.15 0.00 0.00 0.00 175.76 176.76 3irb s LYS 129 N -2.17 4.25 -0.10 0.00 3.01 -1.26 -0.89 119.74 122.58 3irb s LYS 129 Ca 0.55 2.18 0.03 0.00 -1.01 0.00 0.00 55.97 57.73 3irb s LYS 129 Cb -0.30 -2.98 0.01 0.00 -1.01 0.00 0.00 37.83 33.55 3irb s LYS 129 CO 0.38 -0.27 -0.21 0.00 0.51 0.00 0.00 175.35 175.77 3irb s ALA 130 N -1.18 1.95 -0.18 5.17 0.00 -0.42 -4.33 121.76 122.77 3irb s ALA 130 Ca 0.51 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 3irb s ALA 130 Cb -0.39 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3irb s ALA 130 CO 0.51 0.19 0.08 0.21 0.00 0.00 0.00 175.76 176.75 3irb s LYS 131 N 0.52 3.97 -0.19 0.00 2.20 -0.06 -4.39 119.74 121.78 3irb s LYS 131 Ca -0.16 -0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 3irb s LYS 131 Cb -0.17 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3irb s LYS 131 CO 0.06 0.33 1.07 0.42 -0.36 0.00 0.00 175.35 176.87 3irb s ILE 132 N 0.22 4.62 -0.09 5.43 1.01 -1.26 -1.04 121.20 130.09 3irb s ILE 132 Ca 0.06 1.94 -0.04 0.00 0.00 0.00 0.00 60.65 62.60 3irb s ILE 132 Cb -0.12 -4.25 -0.27 0.00 0.01 0.00 0.00 42.46 37.83 3irb s ILE 132 CO -0.00 -0.13 0.48 -0.07 0.00 0.00 0.00 174.94 175.22 3irb h LEU 133 N 9.19 0.39 -7.82 2.97 3.38 -1.03 -3.47 115.31 118.92 3irb h LEU 133 Ca -0.23 -0.79 -0.48 0.00 0.09 0.00 0.00 57.88 56.47 3irb h LEU 133 Cb 1.09 -0.13 -0.35 0.00 0.09 0.00 0.00 40.66 41.36 3irb h LEU 133 CO 0.95 1.70 -0.80 -0.55 0.09 0.00 0.00 178.44 179.84 3irb s SER 134 N -6.94 1.62 0.00 -0.43 0.15 -1.12 -5.01 113.70 101.97 3irb s SER 134 Ca -0.18 -0.24 0.27 0.00 0.70 0.00 0.00 55.95 56.50 3irb s SER 134 Cb 0.07 -0.70 0.86 0.00 -1.71 0.00 0.00 66.02 64.54 3irb s SER 134 CO 0.80 -0.04 1.63 0.49 1.20 0.00 0.00 173.24 177.32 3irb n PHE 135 N 4.22 0.00 -2.43 3.44 3.01 -1.26 -3.42 117.46 121.02 3irb n PHE 135 Ca -0.20 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.85 3irb n PHE 135 Cb 0.51 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 3irb n PHE 135 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3irb s GLN 136 N -2.08 4.56 0.13 -1.08 0.74 -1.26 -4.70 119.66 115.97 3irb s GLN 136 Ca 0.34 1.83 -0.28 0.00 0.05 0.00 0.00 55.36 57.30 3irb s GLN 136 Cb 0.21 -3.22 -0.07 0.00 1.10 0.00 0.00 33.01 31.02 3irb s GLN 136 CO 0.36 0.06 0.87 -0.46 -0.55 0.00 0.00 175.29 175.57 3irb s TRP 137 N -0.55 3.85 0.24 1.67 -0.11 -1.26 -3.02 118.94 119.75 3irb s TRP 137 Ca 0.49 1.71 -0.30 0.00 1.22 0.00 0.00 56.10 59.22 3irb s TRP 137 Cb -0.32 -2.93 -0.09 0.00 -1.50 0.00 0.00 33.47 28.64 3irb s TRP 137 CO 0.39 0.33 1.18 -2.14 -4.62 0.00 0.00 176.95 172.08 3irb s PRO 138 N -0.46 4.53 0.66 5.86 0.02 -1.26 -5.09 135.00 139.26 3irb s PRO 138 Ca 0.41 1.89 -0.15 0.00 0.02 0.00 0.00 61.00 63.18 3irb s PRO 138 Cb -0.23 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.09 3irb s PRO 138 CO 0.28 0.00 1.11 -0.51 -0.33 0.00 0.00 177.00 177.55 3irb s LEU 139 N -0.85 3.38 -0.04 -5.54 1.43 -1.17 -4.87 118.68 111.03 3irb s LEU 139 Ca 0.49 2.00 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 3irb s LEU 139 Cb -0.33 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.34 3irb s LEU 139 CO 0.40 -1.65 -0.11 -0.13 0.23 0.00 0.00 176.35 175.09 3irb s ARG 140 N -4.11 1.24 0.15 1.70 0.52 -1.22 -1.44 118.95 115.79 3irb s ARG 140 Ca 0.67 -0.36 0.06 0.00 -0.52 0.00 0.00 55.73 55.58 3irb s ARG 140 Cb -0.21 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 3irb s ARG 140 CO 0.42 0.11 -0.14 0.14 0.02 0.00 0.00 175.30 175.85 3irb s VAL 141 N 0.31 1.47 -0.04 3.52 -7.23 0.12 -0.33 120.40 118.22 3irb s VAL 141 Ca -0.06 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 3irb s VAL 141 Cb -0.11 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 3irb s VAL 141 CO 0.01 -0.52 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.32 3irb s LYS 142 N -3.16 2.32 -0.19 4.82 2.20 -0.20 -0.90 119.74 124.62 3irb s LYS 142 Ca 0.15 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3irb s LYS 142 Cb -0.02 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 3irb s LYS 142 CO 0.04 0.55 -0.16 0.08 -0.36 0.00 0.00 175.35 175.50 3irb s VAL 143 N -0.57 2.32 -2.10 4.02 1.01 0.84 -0.88 120.40 125.04 3irb s VAL 143 Ca 0.08 -0.90 0.31 0.00 0.00 0.00 0.00 61.98 61.47 3irb s VAL 143 Cb -0.11 -2.02 0.84 0.00 0.00 0.00 0.00 36.38 35.09 3irb s VAL 143 CO 0.00 0.48 2.13 0.47 0.00 0.00 0.00 175.10 178.18