#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwb s LEU 65 N 0.00 1.47 0.11 2.39 1.43 -1.26 -0.17 118.68 122.65 3iwb s LEU 65 Ca 0.00 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3iwb s LEU 65 Cb 0.00 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 3iwb s LEU 65 CO 0.00 -0.06 -0.13 0.42 0.23 0.00 0.00 176.35 176.80 3iwb s THR 66 N 1.43 1.25 -0.10 5.49 -4.23 -0.07 -4.99 115.64 114.42 3iwb s THR 66 Ca 0.01 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 3iwb s THR 66 Cb -0.13 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.27 3iwb s THR 66 CO -0.07 -0.43 0.26 -0.51 -0.54 0.00 0.00 174.62 173.34 3iwb s ILE 67 N -2.13 -0.01 -0.14 2.99 2.07 -1.26 -1.35 121.20 121.37 3iwb s ILE 67 Ca 0.08 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.34 3iwb s ILE 67 Cb -0.05 -0.38 0.05 0.00 0.13 0.00 0.00 42.46 42.21 3iwb s ILE 67 CO 0.02 0.02 0.04 -1.00 -1.91 0.00 0.00 174.94 172.11 3iwb s HIS 68 N 0.52 0.69 0.13 3.50 3.76 -0.70 -4.98 115.29 118.21 3iwb s HIS 68 Ca -0.03 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 3iwb s HIS 68 Cb -0.05 -0.86 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 3iwb s HIS 68 CO -0.03 -0.48 0.19 0.95 -0.85 0.00 0.00 174.74 174.53 3iwb s THR 69 N 1.97 4.91 -0.51 1.30 -4.23 -1.26 -0.77 115.64 117.05 3iwb s THR 69 Ca 0.02 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.77 3iwb s THR 69 Cb -0.15 -3.48 0.19 0.00 1.34 0.00 0.00 72.50 70.39 3iwb s THR 69 CO -0.07 -0.04 0.44 0.79 -0.54 0.00 0.00 174.62 175.19 3iwb n TRP 70 N -0.24 0.63 -0.30 3.99 8.01 0.71 -5.00 117.44 125.24 3iwb n TRP 70 Ca -0.07 -3.68 0.13 0.00 -1.31 0.00 0.00 57.50 52.57 3iwb n TRP 70 Cb 0.54 -0.12 0.31 0.00 -2.01 0.00 0.00 31.31 30.03 3iwb n TRP 70 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3iwb h PRO 71 N 5.25 0.34 0.00 -0.99 0.11 -1.95 0.36 132.00 135.11 3iwb h PRO 71 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3iwb h PRO 71 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3iwb h PRO 71 CO 0.51 0.23 0.04 1.05 -0.21 0.00 0.00 178.00 179.62 3iwb h GLU 72 N 0.35 0.00 -0.00 1.05 9.09 -1.94 -1.44 114.58 121.69 3iwb h GLU 72 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 3iwb h GLU 72 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 3iwb h GLU 72 CO -0.56 0.00 -0.02 0.66 0.05 0.00 0.00 179.01 179.15 3iwb n TYR 73 N -2.70 0.00 -1.66 2.06 4.01 0.11 -4.97 117.16 114.01 3iwb n TYR 73 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 3iwb n TYR 73 Cb 0.09 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 3iwb n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iwb n GLY 74 N 0.28 1.35 3.70 2.72 0.00 -0.39 -4.97 105.19 107.89 3iwb n GLY 74 Ca 0.01 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3iwb n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iwb s TYR 75 N -2.70 3.12 -0.03 1.61 5.04 -1.03 -5.00 117.35 118.36 3iwb s TYR 75 Ca 0.00 0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.73 3iwb s TYR 75 Cb 0.00 -1.69 0.03 0.00 0.35 0.00 0.00 41.96 40.66 3iwb s TYR 75 CO 0.00 0.48 0.06 0.00 -1.34 0.00 0.00 175.55 174.75 3iwb s ALA 76 N -1.11 0.02 -0.40 3.97 0.00 -1.26 -0.21 121.76 122.77 3iwb s ALA 76 Ca 0.20 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 3iwb s ALA 76 Cb -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.68 3iwb s ALA 76 CO 0.11 -0.17 0.43 0.00 0.00 0.00 0.00 175.76 176.13 3iwb s ALA 77 N 1.23 3.44 -0.04 0.00 0.00 0.05 -4.94 121.76 121.50 3iwb s ALA 77 Ca -0.07 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.51 3iwb s ALA 77 Cb -0.13 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3iwb s ALA 77 CO -0.04 -1.46 -0.12 0.42 0.00 0.00 0.00 175.76 174.56 3iwb s ILE 78 N 2.14 3.23 -0.08 0.00 1.01 -1.26 -1.72 121.20 124.52 3iwb s ILE 78 Ca 0.13 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 3iwb s ILE 78 Cb -0.17 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3iwb s ILE 78 CO 0.13 0.56 -0.05 -1.81 0.00 0.00 0.00 174.94 173.77 3iwb s ASP 79 N -0.86 1.64 -0.44 3.58 1.01 -0.45 -4.99 116.67 116.15 3iwb s ASP 79 Ca 0.12 -0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.23 3iwb s ASP 79 Cb -0.11 -0.61 0.12 0.00 1.01 0.00 0.00 42.92 43.33 3iwb s ASP 79 CO 0.02 -0.11 0.18 -0.76 0.21 0.00 0.00 175.17 174.70 3iwb s LEU 80 N 1.50 4.12 -0.35 1.23 1.43 -1.26 -0.89 118.68 124.46 3iwb s LEU 80 Ca -0.01 -2.62 -0.08 0.00 -1.03 0.00 0.00 54.13 50.40 3iwb s LEU 80 Cb -0.13 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.61 3iwb s LEU 80 CO -0.04 -0.29 0.14 0.12 0.23 0.00 0.00 176.35 176.51 3iwb s PHE 81 N 0.27 3.26 0.40 0.29 5.36 0.75 -4.90 117.98 123.42 3iwb s PHE 81 Ca 0.15 -1.31 0.08 0.00 -0.96 0.00 0.00 56.93 54.88 3iwb s PHE 81 Cb -0.23 -2.37 -0.05 0.00 -0.34 0.00 0.00 43.02 40.03 3iwb s PHE 81 CO -0.04 -0.72 0.19 0.95 -1.46 0.00 0.00 175.22 174.14 3iwb s THR 82 N 1.44 2.47 -0.10 0.12 -4.23 -1.26 0.73 115.64 114.81 3iwb s THR 82 Ca -0.00 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 3iwb s THR 82 Cb -0.20 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.71 3iwb s THR 82 CO 0.04 -0.04 0.22 0.00 -0.54 0.00 0.00 174.62 174.30 3iwb n GLY 84 N 4.76 2.96 0.20 0.00 0.00 -1.26 -4.70 105.19 107.16 3iwb n GLY 84 Ca -0.16 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.37 3iwb n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwb h GLU 85 N 0.00 0.00 -0.03 1.61 4.39 -2.07 -2.63 114.58 115.86 3iwb h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iwb h GLU 85 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3iwb h GLU 85 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 3iwb n ASP 86 N -2.58 2.30 -4.29 1.42 8.00 -1.26 -4.80 116.55 115.33 3iwb n ASP 86 Ca 0.01 -1.77 -0.36 0.00 0.71 0.00 0.00 54.79 53.38 3iwb n ASP 86 Cb 0.20 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.16 3iwb n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwb s VAL 87 N -1.99 3.48 -0.37 2.53 1.01 -0.99 -5.09 120.40 118.98 3iwb s VAL 87 Ca 0.33 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 3iwb s VAL 87 Cb 0.20 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.88 3iwb s VAL 87 CO 0.32 0.18 0.17 -0.62 0.00 0.00 0.00 175.10 175.14 3iwb s ASP 88 N 1.43 5.49 0.61 3.32 -1.08 -1.26 -4.77 116.67 120.42 3iwb s ASP 88 Ca 0.02 -1.22 0.38 0.00 -0.52 0.00 0.00 52.55 51.20 3iwb s ASP 88 Cb -0.16 -1.93 1.96 0.00 -1.46 0.00 0.00 42.92 41.32 3iwb s ASP 88 CO -0.01 -0.40 2.22 1.55 0.52 0.00 0.00 175.17 179.05 3iwb h PRO 89 N 8.31 0.00 0.00 4.34 0.13 -1.96 -2.45 132.00 140.37 3iwb h PRO 89 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 3iwb h PRO 89 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3iwb h PRO 89 CO 0.66 0.02 -0.24 -1.49 -0.23 0.00 0.00 178.00 176.72 3iwb h TRP 90 N 0.00 0.00 -0.24 1.56 4.06 -1.94 -1.53 115.95 117.86 3iwb h TRP 90 Ca -0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 3iwb h TRP 90 Cb 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3iwb h TRP 90 CO 0.00 0.24 -0.51 0.87 -3.56 0.00 0.00 178.44 175.48 3iwb h LYS 91 N 0.00 0.68 -0.63 0.49 1.79 -1.87 -1.19 116.57 115.84 3iwb h LYS 91 Ca -0.00 -0.41 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 3iwb h LYS 91 Cb 0.66 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3iwb h LYS 91 CO 0.03 1.03 0.25 0.00 -1.08 0.00 0.00 179.45 179.68 3iwb h ALA 92 N 0.90 0.81 -0.53 3.86 0.00 -1.50 -1.84 119.26 120.96 3iwb h ALA 92 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iwb h ALA 92 Cb 1.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3iwb h ALA 92 CO 0.10 0.43 0.27 0.35 0.00 0.00 0.00 179.25 180.41 3iwb h PHE 93 N 0.88 0.74 -0.43 0.00 3.57 -1.04 -1.94 116.94 118.72 3iwb h PHE 93 Ca 0.21 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3iwb h PHE 93 Cb 0.21 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3iwb h PHE 93 CO 0.01 0.56 0.17 1.49 -2.23 0.00 0.00 178.31 178.32 3iwb h GLU 94 N 0.71 0.64 -0.57 1.11 4.57 -0.96 -0.08 114.58 120.00 3iwb h GLU 94 Ca 0.18 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3iwb h GLU 94 Cb 0.08 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3iwb h GLU 94 CO -0.03 0.59 0.06 1.25 -1.18 0.00 0.00 179.01 179.70 3iwb h HIS 95 N 0.55 0.98 -0.15 0.92 2.76 -1.22 -2.88 115.15 116.10 3iwb h HIS 95 Ca 0.14 -0.13 -0.17 0.00 -2.20 0.00 0.00 60.37 58.02 3iwb h HIS 95 Cb 0.19 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 28.88 3iwb h HIS 95 CO -0.00 0.86 -0.55 -0.07 -1.30 0.00 0.00 177.93 176.86 3iwb h LEU 96 N 0.87 0.75 -1.06 0.26 3.38 -1.11 -1.15 115.31 117.25 3iwb h LEU 96 Ca 0.17 -0.61 0.12 0.00 0.09 0.00 0.00 57.88 57.65 3iwb h LEU 96 Cb 0.43 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3iwb h LEU 96 CO 0.01 1.23 0.62 0.50 0.09 0.00 0.00 178.44 180.90 3iwb h LYS 97 N 0.31 0.93 0.46 1.13 3.11 -0.99 0.65 116.57 122.16 3iwb h LYS 97 Ca -0.03 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 3iwb h LYS 97 Cb 1.18 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 3iwb h LYS 97 CO 0.12 0.62 -0.22 -0.22 -2.81 0.00 0.00 179.45 176.93 3iwb h LYS 98 N 0.96 -0.59 -0.99 1.90 3.64 -1.47 -1.27 116.57 118.75 3iwb h LYS 98 Ca 0.48 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 60.09 3iwb h LYS 98 Cb 0.49 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.35 3iwb h LYS 98 CO -0.25 -0.36 0.61 0.00 -2.27 0.00 0.00 179.45 177.19 3iwb h ALA 99 N -1.07 1.76 -0.00 5.00 0.00 -0.98 -0.58 119.26 123.39 3iwb h ALA 99 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwb h ALA 99 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iwb h ALA 99 CO 0.10 -0.11 -0.48 1.28 0.00 0.00 0.00 179.25 180.04 3iwb n LEU 100 N -4.70 0.71 -3.74 0.00 4.32 0.20 -4.98 117.00 108.81 3iwb n LEU 100 Ca 0.22 -0.13 -0.27 0.00 -0.02 0.00 0.00 56.01 55.82 3iwb n LEU 100 Cb 0.58 -0.19 0.05 0.00 -1.62 0.00 0.00 43.42 42.24 3iwb n LEU 100 CO 0.24 0.16 0.17 0.29 -1.22 0.00 0.00 177.39 177.03 3iwb n LYS 101 N -1.26 -6.68 -2.05 3.23 5.02 -0.23 -4.93 118.16 111.27 3iwb n LYS 101 Ca 0.07 0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 56.67 3iwb n LYS 101 Cb 0.34 -5.69 -0.02 0.00 -0.02 0.00 0.00 35.03 29.64 3iwb n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwb s ALA 102 N -3.30 3.55 -1.02 7.82 0.00 -0.96 -4.90 121.76 122.95 3iwb s ALA 102 Ca 0.62 1.31 0.21 0.00 0.00 0.00 0.00 51.96 54.11 3iwb s ALA 102 Cb -0.29 -3.52 -0.19 0.00 0.00 0.00 0.00 23.12 19.11 3iwb s ALA 102 CO 0.77 -0.72 0.93 1.63 0.00 0.00 0.00 175.76 178.36 3iwb n LYS 103 N 1.40 0.02 -3.69 0.00 5.02 -1.26 -4.92 118.16 114.73 3iwb n LYS 103 Ca 0.03 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 3iwb n LYS 103 Cb 0.41 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 3iwb n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3iwb s ARG 104 N -2.99 0.47 0.04 1.97 3.52 -1.26 -5.17 118.95 115.53 3iwb s ARG 104 Ca 0.08 0.80 -0.00 0.00 -0.13 0.00 0.00 55.73 56.48 3iwb s ARG 104 Cb 0.16 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 3iwb s ARG 104 CO 0.86 -0.13 -0.04 0.14 -0.81 0.00 0.00 175.30 175.32 3iwb s VAL 105 N 1.12 0.21 -0.06 7.11 -7.23 -1.26 -5.12 120.40 115.17 3iwb s VAL 105 Ca -0.07 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3iwb s VAL 105 Cb -0.07 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.08 3iwb s VAL 105 CO -0.10 -0.70 -0.01 -2.28 -0.31 0.00 0.00 175.10 171.71 3iwb s HIS 106 N -2.47 0.60 -0.04 2.82 2.46 -1.26 -5.15 115.29 112.26 3iwb s HIS 106 Ca -0.06 -0.13 0.03 0.00 0.47 0.00 0.00 55.06 55.37 3iwb s HIS 106 Cb -0.03 -0.69 0.00 0.00 -0.13 0.00 0.00 32.58 31.74 3iwb s HIS 106 CO -0.04 -0.26 -0.12 0.08 -2.47 0.00 0.00 174.74 171.92 3iwb s VAL 107 N 1.57 1.07 -0.12 0.89 1.01 -1.26 -5.11 120.40 118.46 3iwb s VAL 107 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3iwb s VAL 107 Cb -0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3iwb s VAL 107 CO -0.03 0.32 -0.08 -0.69 0.00 0.00 0.00 175.10 174.62 3iwb s VAL 108 N 0.20 3.55 -0.26 2.92 1.01 -1.26 -5.10 120.40 121.46 3iwb s VAL 108 Ca -0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3iwb s VAL 108 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3iwb s VAL 108 CO 0.01 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 174.98 3iwb s GLU 109 N -0.01 3.22 -0.07 2.72 2.12 -1.26 -5.08 118.70 120.34 3iwb s GLU 109 Ca -0.01 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 3iwb s GLU 109 Cb -0.14 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 3iwb s GLU 109 CO 0.03 -0.33 0.09 -1.01 -0.54 0.00 0.00 175.26 173.49 3iwb s HIS 110 N 1.49 3.37 -0.46 5.30 3.76 -1.26 -5.06 115.29 122.43 3iwb s HIS 110 Ca 0.04 0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 55.08 3iwb s HIS 110 Cb -0.16 -1.83 0.04 0.00 1.11 0.00 0.00 32.58 31.74 3iwb s HIS 110 CO 0.00 0.60 0.54 -1.21 -0.85 0.00 0.00 174.74 173.82 3iwb s GLU 111 N -1.27 3.13 -0.13 1.40 2.02 -1.26 -5.04 118.70 117.55 3iwb s GLU 111 Ca 0.18 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 3iwb s GLU 111 Cb -0.12 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 3iwb s GLU 111 CO 0.08 -1.03 0.43 1.03 0.02 0.00 0.00 175.26 175.79 3iwb s ARG 112 N 2.41 4.32 -0.71 1.61 1.81 -1.26 -4.39 118.95 122.73 3iwb s ARG 112 Ca 0.15 0.36 -0.04 0.00 -1.72 0.00 0.00 55.73 54.48 3iwb s ARG 112 Cb -0.18 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 30.85 3iwb s ARG 112 CO 0.14 0.18 0.62 0.41 -0.68 0.00 0.00 175.30 175.97 3iwb n GLY 113 N 3.28 -0.44 3.74 -3.53 0.00 -1.26 -4.95 105.19 102.03 3iwb n GLY 113 Ca -0.08 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3iwb n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwb s ARG 114 N -4.03 4.25 0.27 1.61 0.52 -1.26 -4.87 118.95 115.44 3iwb s ARG 114 Ca 0.28 2.32 -0.00 0.00 -0.52 0.00 0.00 55.73 57.80 3iwb s ARG 114 Cb -0.04 -3.12 0.54 0.00 0.52 0.00 0.00 34.95 32.86 3iwb s ARG 114 CO 0.49 -0.48 1.79 1.88 0.02 0.00 0.00 175.30 179.01 3iwb h TYR 115 N 5.52 0.91 0.00 -0.53 0.05 -1.92 0.66 116.97 121.67 3iwb h TYR 115 Ca -0.45 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.29 3iwb h TYR 115 Cb 1.21 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 3iwb h TYR 115 CO 0.61 0.28 -0.32 0.38 -1.05 0.00 0.00 178.16 178.06 3iwb h ASP 116 N 0.76 0.00 -0.05 3.88 3.04 -2.04 -3.01 116.42 118.99 3iwb h ASP 116 Ca 0.48 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 54.22 3iwb h ASP 116 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 3iwb h ASP 116 CO -0.32 0.32 -0.15 -0.33 -2.04 0.00 0.00 179.24 176.72 3iwb h GLU 117 N 0.00 0.19 -0.01 4.15 4.39 -1.32 -3.55 114.58 118.43 3iwb h GLU 117 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3iwb h GLU 117 Cb 0.87 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3iwb h GLU 117 CO 0.04 0.76 0.00 0.44 -1.16 0.00 0.00 179.01 179.09