#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib1 n GLY 19 N 0.00 0.99 3.07 0.46 0.00 -1.26 -2.52 105.19 105.93 1ib1 n GLY 19 Ca 0.00 0.80 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 1ib1 n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ib1 s ILE 20 N 8.00 3.46 0.12 -0.61 -1.09 -1.26 -4.82 121.20 124.99 1ib1 s ILE 20 Ca 1.02 -2.93 -0.35 0.00 -2.23 0.00 0.00 60.65 56.15 1ib1 s ILE 20 Cb -0.41 -3.29 -0.16 0.00 -1.58 0.00 0.00 42.46 37.02 1ib1 s ILE 20 CO 0.38 -0.84 1.41 -2.65 -1.23 0.00 0.00 174.94 172.01 1ib1 n PRO 21 N 3.54 1.50 0.00 2.79 -0.02 -1.26 -0.71 135.00 140.83 1ib1 n PRO 21 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ib1 n PRO 21 Cb 0.37 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1ib1 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ib1 n GLY 22 N 2.79 3.04 2.75 -1.23 0.00 -1.26 -4.95 105.19 106.33 1ib1 n GLY 22 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ib1 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ib1 s SER 23 N -1.22 3.75 0.21 1.61 0.01 0.11 -5.03 113.70 113.14 1ib1 s SER 23 Ca 0.00 -3.08 -0.15 0.00 1.31 0.00 0.00 55.95 54.04 1ib1 s SER 23 Cb 0.00 -1.20 0.23 0.00 0.21 0.00 0.00 66.02 65.25 1ib1 s SER 23 CO 0.00 -0.20 1.61 -0.65 0.41 0.00 0.00 173.24 174.41 1ib1 h PRO 24 N 6.19 -0.05 -0.07 12.44 0.11 -1.93 -2.97 132.00 145.73 1ib1 h PRO 24 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1ib1 h PRO 24 Cb 0.87 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ib1 h PRO 24 CO 0.56 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 1ib1 n GLY 25 N -1.45 0.71 3.79 -0.55 0.00 -1.26 -4.92 105.19 101.51 1ib1 n GLY 25 Ca 0.07 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1ib1 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ib1 s ARG 26 N -1.94 4.34 -0.08 1.61 3.00 -1.12 -5.06 118.95 119.70 1ib1 s ARG 26 Ca 0.33 0.87 -0.12 0.00 0.00 0.00 0.00 55.73 56.81 1ib1 s ARG 26 Cb 0.20 -3.27 -0.05 0.00 0.00 0.00 0.00 34.95 31.84 1ib1 s ARG 26 CO 0.31 0.55 0.28 1.14 0.00 0.00 0.00 175.30 177.59 1ib1 s GLN 27 N -0.89 3.80 0.40 3.54 -2.07 -1.26 -4.44 119.66 118.74 1ib1 s GLN 27 Ca 0.32 0.14 -0.24 0.00 -1.82 0.00 0.00 55.36 53.76 1ib1 s GLN 27 Cb -0.20 -3.25 -0.09 0.00 -1.09 0.00 0.00 33.01 28.38 1ib1 s GLN 27 CO 0.21 0.64 1.06 0.50 -1.32 0.00 0.00 175.29 176.38 1ib1 s ARG 28 N -0.77 4.14 0.89 9.60 3.52 -1.05 -5.01 118.95 130.27 1ib1 s ARG 28 Ca 0.19 1.54 -0.10 0.00 -0.13 0.00 0.00 55.73 57.23 1ib1 s ARG 28 Cb -0.14 -2.54 0.13 0.00 -1.56 0.00 0.00 34.95 30.83 1ib1 s ARG 28 CO 0.08 -0.17 1.14 -0.98 -0.81 0.00 0.00 175.30 174.56 1ib1 s ARG 29 N -2.49 1.24 0.57 5.12 1.04 -1.26 -4.99 118.95 118.17 1ib1 s ARG 29 Ca 0.58 1.50 0.09 0.00 -1.04 0.00 0.00 55.73 56.86 1ib1 s ARG 29 Cb -0.23 -1.76 0.08 0.00 -2.04 0.00 0.00 34.95 31.00 1ib1 s ARG 29 CO 0.28 -2.46 0.72 -1.01 -0.04 0.00 0.00 175.30 172.80 1ib1 s HIS 30 N -2.67 1.47 -0.05 5.89 3.76 -1.26 -5.14 115.29 117.29 1ib1 s HIS 30 Ca 0.66 -0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 1ib1 s HIS 30 Cb -0.22 -2.16 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1ib1 s HIS 30 CO 0.57 -1.03 1.09 -1.17 -0.85 0.00 0.00 174.74 173.36 1ib1 s LEU 32 N -4.59 4.29 0.00 0.89 1.98 -1.26 -5.31 118.68 114.67 1ib1 s LEU 32 Ca 0.57 1.71 -0.07 0.00 -2.89 0.00 0.00 54.13 53.45 1ib1 s LEU 32 Cb -0.05 -3.56 0.10 0.00 0.66 0.00 0.00 46.19 43.34 1ib1 s LEU 32 CO 0.36 -0.47 0.51 -0.81 -1.89 0.00 0.00 176.35 174.04 1ib1 n PRO 33 N 4.78 -0.90 -3.34 0.98 -0.04 -1.26 -5.09 135.00 130.12 1ib1 n PRO 33 Ca 0.09 -0.79 -0.21 0.00 -0.04 0.00 0.00 63.50 62.55 1ib1 n PRO 33 Cb 0.48 -0.58 -0.09 0.00 -0.04 0.00 0.00 33.50 33.28 1ib1 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ib1 s ALA 34 N -3.71 0.21 0.07 0.55 0.00 -1.26 -4.53 121.76 113.09 1ib1 s ALA 34 Ca 0.30 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1ib1 s ALA 34 Cb -0.01 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1ib1 s ALA 34 CO 0.21 -2.11 0.00 0.09 0.00 0.00 0.00 175.76 173.96 1ib1 n ASN 35 N 3.74 -7.96 -3.79 0.00 4.13 -1.23 -4.85 115.26 105.29 1ib1 n ASN 35 Ca 0.17 1.37 -0.09 0.00 1.68 0.00 0.00 54.58 57.71 1ib1 n ASN 35 Cb 0.45 -4.37 -0.04 0.00 -1.54 0.00 0.00 39.78 34.28 1ib1 n ASN 35 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ib1 s GLU 36 N -0.96 1.47 -0.14 3.52 -1.05 -0.65 -4.94 118.70 115.95 1ib1 s GLU 36 Ca 0.00 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1ib1 s GLU 36 Cb 0.00 0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 34.21 1ib1 s GLU 36 CO 0.00 -0.63 -0.15 -0.06 0.95 0.00 0.00 175.26 175.37 1ib1 s PHE 37 N -3.90 2.78 0.06 4.83 0.40 -1.26 -0.90 117.98 119.98 1ib1 s PHE 37 Ca 0.11 -0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 55.54 1ib1 s PHE 37 Cb -0.02 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1ib1 s PHE 37 CO 0.00 -0.37 -0.01 1.03 0.70 0.00 0.00 175.22 176.57 1ib1 s ARG 38 N 0.62 0.64 0.34 0.44 0.52 -0.85 -4.96 118.95 115.70 1ib1 s ARG 38 Ca -0.08 -1.22 -0.26 0.00 -0.52 0.00 0.00 55.73 53.65 1ib1 s ARG 38 Cb -0.16 0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.44 1ib1 s ARG 38 CO 0.03 -0.13 1.02 0.00 0.02 0.00 0.00 175.30 176.24 1ib1 s LEU 40 N -2.08 3.62 0.29 0.00 1.43 -1.26 -4.87 118.68 115.82 1ib1 s LEU 40 Ca 0.51 1.48 0.09 0.00 -1.03 0.00 0.00 54.13 55.18 1ib1 s LEU 40 Cb -0.23 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1ib1 s LEU 40 CO 0.29 -0.58 0.07 0.42 0.23 0.00 0.00 176.35 176.78 1ib1 s THR 41 N -2.63 3.37 0.57 5.49 -4.23 -1.26 -4.78 115.64 112.17 1ib1 s THR 41 Ca 0.57 -1.79 0.27 0.00 -1.18 0.00 0.00 61.69 59.57 1ib1 s THR 41 Cb -0.10 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.17 1ib1 s THR 41 CO 0.33 -0.30 2.01 -0.65 -0.54 0.00 0.00 174.62 175.47 1ib1 h PRO 42 N 1.72 0.00 0.00 3.99 0.11 -1.90 0.82 132.00 136.75 1ib1 h PRO 42 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1ib1 h PRO 42 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ib1 h PRO 42 CO 0.62 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.26 1ib1 h GLU 43 N 0.00 0.00 -0.00 1.05 3.07 -1.96 -2.75 114.58 113.98 1ib1 h GLU 43 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1ib1 h GLU 43 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1ib1 h GLU 43 CO -0.00 0.08 -0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 1ib1 n ASP 44 N -3.21 0.06 -0.29 1.42 8.00 0.28 -4.13 116.55 118.69 1ib1 n ASP 44 Ca 0.00 -0.79 -0.05 0.00 0.71 0.00 0.00 54.79 54.67 1ib1 n ASP 44 Cb 0.35 -0.07 0.07 0.00 -0.02 0.00 0.00 41.12 41.45 1ib1 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ib1 h ALA 45 N 3.85 1.01 -0.95 2.24 0.00 -1.59 -2.40 119.26 121.42 1ib1 h ALA 45 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ib1 h ALA 45 Cb 0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1ib1 h ALA 45 CO 0.00 0.49 0.60 0.00 0.00 0.00 0.00 179.25 180.34 1ib1 h ALA 46 N 1.25 1.21 -0.14 0.00 0.00 -1.83 -1.54 119.26 118.21 1ib1 h ALA 46 Ca 0.28 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ib1 h ALA 46 Cb -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1ib1 h ALA 46 CO -0.05 0.64 -0.31 0.78 0.00 0.00 0.00 179.25 180.31 1ib1 h GLY 47 N 1.31 0.30 0.96 0.00 0.00 -1.77 -1.74 103.07 102.12 1ib1 h GLY 47 Ca 0.35 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1ib1 h GLY 47 CO -0.07 0.22 -0.22 -2.08 0.00 0.00 0.00 176.54 174.40 1ib1 h VAL 48 N 0.24 1.30 -0.35 4.60 2.07 -0.89 -2.84 116.25 120.38 1ib1 h VAL 48 Ca 0.03 -1.36 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 1ib1 h VAL 48 Cb 0.68 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1ib1 h VAL 48 CO 0.05 0.44 -0.22 0.15 0.02 0.00 0.00 177.57 178.01 1ib1 h PHE 49 N 0.45 0.76 -0.77 1.57 3.57 -1.13 -1.89 116.94 119.50 1ib1 h PHE 49 Ca 0.06 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ib1 h PHE 49 Cb 0.77 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1ib1 h PHE 49 CO 0.07 0.84 0.50 0.93 -2.23 0.00 0.00 178.31 178.42 1ib1 h GLU 50 N 0.60 0.96 -0.31 1.11 4.39 -1.28 0.81 114.58 120.86 1ib1 h GLU 50 Ca 0.09 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1ib1 h GLU 50 Cb 0.70 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1ib1 h GLU 50 CO 0.05 0.63 0.06 0.82 -1.16 0.00 0.00 179.01 179.41 1ib1 h ILE 51 N 0.99 1.23 -0.70 3.13 2.04 -1.30 -2.92 117.51 119.97 1ib1 h ILE 51 Ca 0.30 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.48 1ib1 h ILE 51 Cb -0.03 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1ib1 h ILE 51 CO -0.10 0.26 0.47 -0.33 0.00 0.00 0.00 178.15 178.45 1ib1 h GLU 52 N 0.34 0.50 -0.01 2.37 5.08 -0.53 0.39 114.58 122.72 1ib1 h GLU 52 Ca 0.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ib1 h GLU 52 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ib1 h GLU 52 CO 0.00 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 1ib1 h ARG 53 N 0.52 0.02 -0.12 2.33 3.08 -0.68 0.19 114.38 119.71 1ib1 h ARG 53 Ca 0.33 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 1ib1 h ARG 53 Cb 0.59 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ib1 h ARG 53 CO -0.11 0.24 -0.09 1.49 -1.07 0.00 0.00 179.97 180.43 1ib1 h GLU 54 N -0.21 0.28 0.27 0.04 4.22 -1.36 -1.73 114.58 116.09 1ib1 h GLU 54 Ca 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 1ib1 h GLU 54 Cb 0.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ib1 h GLU 54 CO 0.00 0.66 -0.13 0.00 -2.18 0.00 0.00 179.01 177.36 1ib1 h ALA 55 N 0.62 -0.36 0.00 2.92 0.00 -0.25 -3.37 119.26 118.82 1ib1 h ALA 55 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1ib1 h ALA 55 Cb 0.59 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ib1 h ALA 55 CO 0.02 -0.51 -1.08 1.19 0.00 0.00 0.00 179.25 178.87 1ib1 n PHE 56 N -5.09 0.00 -0.14 0.00 3.72 0.57 -4.51 117.46 112.02 1ib1 n PHE 56 Ca -0.09 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.56 1ib1 n PHE 56 Cb 0.26 -0.50 0.69 0.00 -0.94 0.00 0.00 39.48 38.99 1ib1 n PHE 56 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1ib1 h ILE 57 N -0.89 0.61 0.00 4.37 2.04 -0.79 -0.56 117.51 122.29 1ib1 h ILE 57 Ca -0.08 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1ib1 h ILE 57 Cb 0.97 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1ib1 h ILE 57 CO -0.05 0.01 0.00 0.77 0.00 0.00 0.00 178.15 178.88 1ib1 h SER 58 N 0.05 0.00 0.00 1.72 4.64 -1.47 -0.27 113.55 118.22 1ib1 h SER 58 Ca 0.39 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.33 1ib1 h SER 58 Cb 1.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.52 1ib1 h SER 58 CO -0.02 0.00 -2.21 0.52 -0.87 0.00 0.00 176.83 174.24 1ib1 n VAL 59 N -2.89 1.52 0.80 0.95 0.31 -0.27 -4.72 118.33 114.04 1ib1 n VAL 59 Ca 0.03 -0.28 0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1ib1 n VAL 59 Cb 0.44 -1.97 -0.08 0.00 -0.91 0.00 0.00 33.84 31.32 1ib1 n VAL 59 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ib1 n SER 60 N -4.30 0.97 0.00 4.52 3.41 -0.88 -4.97 113.62 112.37 1ib1 n SER 60 Ca -0.47 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1ib1 n SER 60 Cb 0.81 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 1ib1 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ib1 n GLY 61 N 1.37 0.42 3.21 5.00 0.00 -0.11 -4.99 105.19 110.10 1ib1 n GLY 61 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1ib1 n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ib1 s ASN 62 N -2.04 0.98 0.02 1.61 0.01 -1.26 -4.89 114.94 109.37 1ib1 s ASN 62 Ca 0.00 -1.17 -0.17 0.00 -0.71 0.00 0.00 52.86 50.81 1ib1 s ASN 62 Cb 0.00 0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.85 1ib1 s ASN 62 CO 0.00 -0.61 0.37 0.00 -1.51 0.00 0.00 177.10 175.35 1ib1 h PRO 64 N 3.33 -0.16 -3.82 0.00 0.11 -1.95 -3.43 132.00 126.07 1ib1 h PRO 64 Ca -0.31 0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.54 1ib1 h PRO 64 Cb 1.19 0.04 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 1ib1 h PRO 64 CO 0.43 -0.11 -0.73 -0.51 -0.21 0.00 0.00 178.00 176.87 1ib1 s LEU 65 N -10.59 1.72 0.53 2.35 1.43 -1.26 -5.03 118.68 107.83 1ib1 s LEU 65 Ca -0.14 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1ib1 s LEU 65 Cb 0.14 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.24 1ib1 s LEU 65 CO 0.69 -0.02 0.82 0.54 0.23 0.00 0.00 176.35 178.61 1ib1 s ASN 66 N 0.31 5.82 0.27 2.29 2.20 -1.26 -4.75 114.94 119.83 1ib1 s ASN 66 Ca -0.03 0.68 -0.08 0.00 -0.94 0.00 0.00 52.86 52.49 1ib1 s ASN 66 Cb -0.05 -1.82 0.44 0.00 -2.00 0.00 0.00 41.25 37.83 1ib1 s ASN 66 CO -0.01 -0.86 1.57 0.25 -2.94 0.00 0.00 177.10 175.11 1ib1 h LEU 67 N 0.05 -0.89 -0.09 3.54 5.85 -1.97 0.19 115.31 121.99 1ib1 h LEU 67 Ca -0.46 0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1ib1 h LEU 67 Cb 1.24 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1ib1 h LEU 67 CO 0.60 -0.32 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.51 1ib1 h ASP 68 N 0.00 -0.28 -0.81 1.25 3.58 -1.98 0.13 116.42 118.32 1ib1 h ASP 68 Ca 0.46 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.96 1ib1 h ASP 68 Cb 0.71 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 1ib1 h ASP 68 CO -0.99 -0.12 0.48 -0.33 -2.88 0.00 0.00 179.24 175.39 1ib1 h GLU 69 N -0.11 1.11 -0.20 0.28 5.08 -1.08 0.53 114.58 120.19 1ib1 h GLU 69 Ca 0.07 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ib1 h GLU 69 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ib1 h GLU 69 CO -0.16 0.79 -0.00 0.28 -1.00 0.00 0.00 179.01 178.92 1ib1 h VAL 70 N 1.13 1.26 -0.85 3.13 2.07 -0.48 -2.62 116.25 119.88 1ib1 h VAL 70 Ca 0.29 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1ib1 h VAL 70 Cb -0.02 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1ib1 h VAL 70 CO -0.05 0.27 0.48 1.56 0.02 0.00 0.00 177.57 179.85 1ib1 h GLN 71 N 0.11 1.17 0.44 1.57 4.20 -0.27 -2.18 115.11 120.15 1ib1 h GLN 71 Ca 0.06 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1ib1 h GLN 71 Cb 0.40 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1ib1 h GLN 71 CO 0.01 0.84 -0.40 1.25 -0.67 0.00 0.00 178.83 179.85 1ib1 h HIS 72 N 1.18 -1.10 -0.45 2.96 2.76 -0.72 -1.70 115.15 118.07 1ib1 h HIS 72 Ca 0.30 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1ib1 h HIS 72 Cb -0.01 0.42 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1ib1 h HIS 72 CO 0.01 -0.57 0.30 0.74 -1.30 0.00 0.00 177.93 177.11 1ib1 h PHE 73 N -0.86 0.57 0.00 5.26 0.04 -1.30 -0.35 116.94 120.31 1ib1 h PHE 73 Ca -0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1ib1 h PHE 73 Cb 0.75 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1ib1 h PHE 73 CO -0.20 0.36 -0.05 -0.07 -0.60 0.00 0.00 178.31 177.75 1ib1 h LEU 74 N 0.62 0.00 0.11 1.54 3.38 -1.01 0.15 115.31 120.09 1ib1 h LEU 74 Ca 0.17 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.80 1ib1 h LEU 74 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ib1 h LEU 74 CO -0.04 0.05 -1.84 0.74 0.09 0.00 0.00 178.44 177.45 1ib1 h THR 75 N 0.00 0.71 -0.03 0.22 2.02 -0.61 -3.26 112.91 111.95 1ib1 h THR 75 Ca -0.00 -2.33 -0.03 0.00 0.77 0.00 0.00 66.41 64.83 1ib1 h THR 75 Cb 0.69 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1ib1 h THR 75 CO 0.01 0.79 -0.09 0.25 0.37 0.00 0.00 175.52 176.85 1ib1 h LEU 76 N -0.12 0.13 -5.86 2.58 6.46 -1.03 -3.41 115.31 114.05 1ib1 h LEU 76 Ca -0.40 -0.64 -0.48 0.00 -0.12 0.00 0.00 57.88 56.24 1ib1 h LEU 76 Cb 1.91 -0.04 -0.36 0.00 -0.73 0.00 0.00 40.66 41.44 1ib1 h LEU 76 CO 0.04 0.74 -1.05 0.00 -0.62 0.00 0.00 178.44 177.55 1ib1 h PRO 78 N 3.57 0.00 0.00 0.00 0.13 -1.60 -1.05 132.00 133.06 1ib1 h PRO 78 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ib1 h PRO 78 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1ib1 h PRO 78 CO 0.44 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.38 1ib1 n GLU 79 N -3.60 0.02 -0.90 0.86 0.00 -1.26 -1.71 120.64 114.04 1ib1 n GLU 79 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 57.16 57.38 1ib1 n GLU 79 Cb 0.11 -1.53 0.34 0.00 0.00 0.00 0.00 31.44 30.35 1ib1 n GLU 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ib1 n LEU 80 N -1.57 5.66 -4.28 -1.84 4.77 -0.40 -4.88 117.00 114.48 1ib1 n LEU 80 Ca 0.04 -3.10 -0.15 0.00 -0.03 0.00 0.00 56.01 52.77 1ib1 n LEU 80 Cb 0.19 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1ib1 n LEU 80 CO 0.15 0.73 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.61 1ib1 s SER 81 N -1.08 1.89 -0.28 -1.43 1.04 -0.69 -1.27 113.70 111.88 1ib1 s SER 81 Ca 0.53 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 1ib1 s SER 81 Cb 0.42 -0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.61 1ib1 s SER 81 CO 0.14 -0.35 0.82 -0.22 0.98 0.00 0.00 173.24 174.61 1ib1 s LEU 82 N -3.21 -0.69 0.04 2.42 2.96 -0.73 -4.31 118.68 115.16 1ib1 s LEU 82 Ca 0.20 1.25 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1ib1 s LEU 82 Cb 0.03 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.92 1ib1 s LEU 82 CO 0.03 -0.21 -0.09 -0.83 -1.32 0.00 0.00 176.35 173.93 1ib1 s GLY 83 N 0.72 0.57 -0.32 7.98 0.00 -0.01 -1.56 107.32 114.70 1ib1 s GLY 83 Ca -0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 43.75 1ib1 s GLY 83 CO -0.07 -0.79 0.56 0.86 0.00 0.00 0.00 173.10 173.65 1ib1 s TRP 84 N -1.19 3.21 -0.37 1.90 -0.11 -0.01 -2.01 118.94 120.36 1ib1 s TRP 84 Ca -0.06 0.42 -0.10 0.00 1.22 0.00 0.00 56.10 57.58 1ib1 s TRP 84 Cb -0.09 -2.91 0.03 0.00 -1.50 0.00 0.00 33.47 29.00 1ib1 s TRP 84 CO 0.01 -0.46 0.19 -0.06 -4.62 0.00 0.00 176.95 172.00 1ib1 s PHE 85 N 2.46 3.24 -0.63 5.86 0.40 -0.08 -1.85 117.98 127.38 1ib1 s PHE 85 Ca 0.22 -1.04 -0.24 0.00 -0.60 0.00 0.00 56.93 55.27 1ib1 s PHE 85 Cb -0.15 -2.41 0.06 0.00 0.51 0.00 0.00 43.02 41.02 1ib1 s PHE 85 CO 0.12 -0.66 1.00 0.08 0.70 0.00 0.00 175.22 176.46 1ib1 s VAL 86 N 1.53 4.27 -1.50 -0.44 1.01 0.10 -1.63 120.40 123.74 1ib1 s VAL 86 Ca 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1ib1 s VAL 86 Cb -0.19 -4.67 0.05 0.00 0.00 0.00 0.00 36.38 31.57 1ib1 s VAL 86 CO 0.06 -1.40 0.51 -0.62 0.00 0.00 0.00 175.10 173.65 1ib1 n GLU 87 N 7.84 -3.16 0.00 2.72 1.02 -1.26 -1.13 120.64 126.68 1ib1 n GLU 87 Ca -0.01 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ib1 n GLU 87 Cb 0.47 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 1ib1 n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ib1 n GLY 88 N -1.86 1.31 3.72 0.62 0.00 -1.26 -4.78 105.19 102.94 1ib1 n GLY 88 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1ib1 n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ib1 s ARG 89 N -0.81 4.20 -0.35 1.61 3.52 -0.28 -5.05 118.95 121.79 1ib1 s ARG 89 Ca 0.00 -0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1ib1 s ARG 89 Cb 0.00 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1ib1 s ARG 89 CO 0.00 0.25 1.07 -1.17 -0.81 0.00 0.00 175.30 174.64 1ib1 s LEU 90 N 0.47 3.90 0.00 -0.88 2.96 -1.26 0.03 118.68 123.90 1ib1 s LEU 90 Ca 0.11 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1ib1 s LEU 90 Cb -0.12 -3.51 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 1ib1 s LEU 90 CO 0.01 -0.93 0.30 1.33 -1.32 0.00 0.00 176.35 175.73 1ib1 n VAL 91 N 6.02 0.00 -3.63 1.68 0.24 -0.77 -4.97 118.33 116.89 1ib1 n VAL 91 Ca 0.11 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1ib1 n VAL 91 Cb 0.47 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1ib1 n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ib1 s ALA 92 N -0.63 -1.82 0.25 2.33 0.00 -1.23 0.03 121.76 120.69 1ib1 s ALA 92 Ca 0.01 2.05 -0.01 0.00 0.00 0.00 0.00 51.96 54.01 1ib1 s ALA 92 Cb 0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1ib1 s ALA 92 CO 0.04 -0.33 0.26 -0.59 0.00 0.00 0.00 175.76 175.14 1ib1 s PHE 93 N 0.49 1.16 -0.19 0.00 -0.12 -0.68 -0.83 117.98 117.81 1ib1 s PHE 93 Ca -0.01 -1.33 -0.06 0.00 -0.05 0.00 0.00 56.93 55.49 1ib1 s PHE 93 Cb -0.05 -0.42 0.09 0.00 -0.63 0.00 0.00 43.02 42.02 1ib1 s PHE 93 CO -0.02 -0.81 0.38 0.42 -0.05 0.00 0.00 175.22 175.14 1ib1 s ILE 94 N -3.84 -0.59 -0.19 -4.49 1.01 -0.60 -2.57 121.20 109.93 1ib1 s ILE 94 Ca 0.36 0.14 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 1ib1 s ILE 94 Cb 0.04 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1ib1 s ILE 94 CO 0.16 0.04 0.03 -0.63 0.00 0.00 0.00 174.94 174.54 1ib1 s ILE 95 N 2.56 4.35 0.31 2.92 -1.09 -0.64 -1.78 121.20 127.83 1ib1 s ILE 95 Ca 0.02 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.31 1ib1 s ILE 95 Cb -0.13 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.77 1ib1 s ILE 95 CO -0.12 0.44 0.19 0.61 -1.23 0.00 0.00 174.94 174.82 1ib1 n GLY 96 N 3.92 3.19 3.79 6.18 0.00 -0.40 -0.83 105.19 121.06 1ib1 n GLY 96 Ca -0.17 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.85 1ib1 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ib1 s SER 97 N -3.07 -0.13 -0.05 1.61 1.04 -0.90 -4.68 113.70 107.52 1ib1 s SER 97 Ca 0.27 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 1ib1 s SER 97 Cb 0.01 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1ib1 s SER 97 CO 0.19 -1.02 0.25 -0.76 0.98 0.00 0.00 173.24 172.89 1ib1 s LEU 98 N -3.05 4.41 0.16 2.42 1.43 -1.26 -0.42 118.68 122.37 1ib1 s LEU 98 Ca 0.14 0.65 0.11 0.00 -1.03 0.00 0.00 54.13 54.00 1ib1 s LEU 98 Cb -0.02 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1ib1 s LEU 98 CO 0.04 0.35 -0.25 0.86 0.23 0.00 0.00 176.35 177.58 1ib1 s TRP 99 N -1.10 2.26 -0.20 0.29 -0.00 -0.38 0.25 118.94 120.05 1ib1 s TRP 99 Ca 0.21 -0.38 0.13 0.00 -0.00 0.00 0.00 56.10 56.06 1ib1 s TRP 99 Cb -0.14 -1.17 0.44 0.00 -0.00 0.00 0.00 33.47 32.60 1ib1 s TRP 99 CO 0.10 0.41 1.20 -0.40 -0.00 0.00 0.00 176.95 178.25 1ib1 n ASP 100 N 0.59 2.48 -4.12 5.86 5.68 -1.26 -1.80 116.55 123.97 1ib1 n ASP 100 Ca -0.15 -3.42 -0.09 0.00 -0.50 0.00 0.00 54.79 50.63 1ib1 n ASP 100 Cb 0.55 -0.44 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 1ib1 n ASP 100 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1ib1 s GLU 101 N -2.90 0.76 0.05 0.11 2.02 -1.26 -4.96 118.70 112.52 1ib1 s GLU 101 Ca 0.40 -1.32 -0.26 0.00 0.02 0.00 0.00 54.97 53.81 1ib1 s GLU 101 Cb 0.38 0.16 -0.17 0.00 0.10 0.00 0.00 34.13 34.60 1ib1 s GLU 101 CO -0.05 -0.15 1.51 1.49 0.02 0.00 0.00 175.26 178.08 1ib1 h GLU 102 N 3.02 -0.30 -6.04 1.61 4.22 -2.05 -3.44 114.58 111.60 1ib1 h GLU 102 Ca -0.35 0.02 -0.56 0.00 0.08 0.00 0.00 59.36 58.55 1ib1 h GLU 102 Cb 1.16 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1ib1 h GLU 102 CO 0.63 -0.08 -0.49 1.03 -2.18 0.00 0.00 179.01 177.93 1ib1 s ARG 103 N -5.48 3.36 0.35 1.92 1.81 -1.26 -5.10 118.95 114.56 1ib1 s ARG 103 Ca -0.15 -0.60 -0.23 0.00 -1.72 0.00 0.00 55.73 53.04 1ib1 s ARG 103 Cb 0.04 -2.94 -0.10 0.00 -0.45 0.00 0.00 34.95 31.50 1ib1 s ARG 103 CO 0.62 0.54 0.91 -0.51 -0.68 0.00 0.00 175.30 176.18 1ib1 s LEU 104 N -3.05 4.17 0.41 2.53 1.43 -1.26 -5.02 118.68 117.88 1ib1 s LEU 104 Ca 0.34 1.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 1ib1 s LEU 104 Cb -0.11 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 1ib1 s LEU 104 CO 0.28 -0.18 0.04 0.42 0.23 0.00 0.00 176.35 177.14 1ib1 s THR 105 N -1.84 1.42 0.09 5.49 -4.23 -1.26 -4.24 115.64 111.06 1ib1 s THR 105 Ca 0.54 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.79 1ib1 s THR 105 Cb -0.14 -2.68 -0.16 0.00 1.34 0.00 0.00 72.50 70.86 1ib1 s THR 105 CO 0.19 0.00 1.70 -0.61 -0.54 0.00 0.00 174.62 175.36 1ib1 h GLN 106 N 1.78 -0.30 -0.01 3.99 5.75 -1.98 -2.70 115.11 121.63 1ib1 h GLN 106 Ca -0.42 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1ib1 h GLN 106 Cb 1.26 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.88 1ib1 h GLN 106 CO 0.73 -0.20 0.11 1.05 -2.65 0.00 0.00 178.83 177.88 1ib1 h GLU 107 N -0.32 0.00 0.00 1.69 4.11 -1.97 -2.08 114.58 116.01 1ib1 h GLU 107 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ib1 h GLU 107 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ib1 h GLU 107 CO 0.04 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.99 1ib1 n SER 108 N -3.11 0.00 -0.04 3.06 3.41 -1.02 -2.90 113.62 113.02 1ib1 n SER 108 Ca -0.02 0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1ib1 n SER 108 Cb 0.18 -0.50 0.28 0.00 -0.26 0.00 0.00 64.21 63.92 1ib1 n SER 108 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ib1 h LEU 109 N 0.00 0.57 -3.08 1.04 3.38 -1.54 -2.90 115.31 112.79 1ib1 h LEU 109 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ib1 h LEU 109 Cb 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ib1 h LEU 109 CO 0.00 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1ib1 n ALA 110 N -2.47 2.58 -2.50 1.53 0.00 -1.14 -5.01 120.51 113.49 1ib1 n ALA 110 Ca 0.02 -1.74 -0.32 0.00 0.00 0.00 0.00 53.44 51.41 1ib1 n ALA 110 Cb 0.21 -0.56 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 1ib1 n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ib1 s LEU 111 N -1.93 2.82 -0.12 0.00 1.43 -1.10 -5.09 118.68 114.68 1ib1 s LEU 111 Ca 0.32 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1ib1 s LEU 111 Cb 0.23 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1ib1 s LEU 111 CO 0.12 0.30 -0.11 -2.28 0.23 0.00 0.00 176.35 174.60 1ib1 s HIS 112 N -0.87 1.82 -0.45 0.29 5.65 -1.26 -4.62 115.29 115.84 1ib1 s HIS 112 Ca 0.14 -0.94 -0.09 0.00 0.25 0.00 0.00 55.06 54.42 1ib1 s HIS 112 Cb -0.11 -1.39 0.10 0.00 -1.18 0.00 0.00 32.58 30.00 1ib1 s HIS 112 CO 0.04 -0.56 0.31 1.03 -0.65 0.00 0.00 174.74 174.91 1ib1 s ARG 113 N 1.47 2.52 0.31 2.88 1.81 0.14 -4.90 118.95 123.18 1ib1 s ARG 113 Ca 0.02 -1.64 0.07 0.00 -1.72 0.00 0.00 55.73 52.47 1ib1 s ARG 113 Cb -0.13 -3.86 0.85 0.00 -0.45 0.00 0.00 34.95 31.37 1ib1 s ARG 113 CO -0.08 -1.09 1.68 -1.35 -0.68 0.00 0.00 175.30 173.78 1ib1 h PRO 114 N 8.43 0.35 -0.78 3.54 0.11 -1.99 0.33 132.00 141.99 1ib1 h PRO 114 Ca -0.22 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.76 1ib1 h PRO 114 Cb 1.08 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.04 1ib1 h PRO 114 CO 0.81 0.23 0.14 0.54 -0.21 0.00 0.00 178.00 179.51 1ib1 n ARG 115 N -5.07 3.37 -1.12 1.05 1.74 -1.26 -4.96 116.66 110.41 1ib1 n ARG 115 Ca 0.26 -2.33 -0.29 0.00 -0.77 0.00 0.00 57.85 54.71 1ib1 n ARG 115 Cb 0.77 -2.02 0.21 0.00 -1.02 0.00 0.00 32.46 30.40 1ib1 n ARG 115 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ib1 s GLY 116 N -0.62 1.57 0.00 -0.13 0.00 0.12 -4.96 107.32 103.31 1ib1 s GLY 116 Ca 0.41 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1ib1 s GLY 116 CO 0.11 0.07 0.18 -2.39 0.00 0.00 0.00 173.10 171.08 1ib1 n HIS 117 N -4.51 0.00 -4.86 1.90 1.44 -0.75 -4.65 115.22 103.79 1ib1 n HIS 117 Ca 0.09 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.53 1ib1 n HIS 117 Cb 0.59 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.53 1ib1 n HIS 117 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1ib1 s SER 118 N -0.14 2.29 -0.55 4.39 0.01 -1.01 -0.01 113.70 118.68 1ib1 s SER 118 Ca 0.00 -0.39 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 1ib1 s SER 118 Cb 0.00 -0.91 0.03 0.00 0.21 0.00 0.00 66.02 65.35 1ib1 s SER 118 CO 0.00 0.11 1.08 0.00 0.41 0.00 0.00 173.24 174.85 1ib1 s ALA 119 N 0.35 3.08 -0.50 1.44 0.00 0.03 -1.25 121.76 124.91 1ib1 s ALA 119 Ca -0.12 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1ib1 s ALA 119 Cb -0.15 -3.89 0.03 0.00 0.00 0.00 0.00 23.12 19.11 1ib1 s ALA 119 CO 0.05 -2.49 0.92 -1.58 0.00 0.00 0.00 175.76 172.65 1ib1 s HIS 120 N 4.49 2.87 -0.72 0.00 5.04 0.44 -0.96 115.29 126.45 1ib1 s HIS 120 Ca 0.39 0.19 -0.25 0.00 -1.54 0.00 0.00 55.06 53.84 1ib1 s HIS 120 Cb -0.09 -3.98 0.04 0.00 0.04 0.00 0.00 32.58 28.59 1ib1 s HIS 120 CO 0.24 -1.20 1.17 -0.51 -2.34 0.00 0.00 174.74 172.10 1ib1 s LEU 121 N 3.80 3.60 0.17 8.88 1.02 0.12 -2.12 118.68 134.15 1ib1 s LEU 121 Ca 0.33 -0.66 -0.08 0.00 0.02 0.00 0.00 54.13 53.74 1ib1 s LEU 121 Cb -0.11 -2.51 0.04 0.00 0.02 0.00 0.00 46.19 43.63 1ib1 s LEU 121 CO 0.23 -1.69 1.52 0.45 0.02 0.00 0.00 176.35 176.88 1ib1 h HIS 122 N 9.86 1.00 -2.65 0.29 3.86 -1.29 -3.42 115.15 122.81 1ib1 h HIS 122 Ca -0.27 -0.29 -0.10 0.00 -1.16 0.00 0.00 60.37 58.55 1ib1 h HIS 122 Cb 1.06 -0.21 -0.22 0.00 1.06 0.00 0.00 27.41 29.10 1ib1 h HIS 122 CO 1.08 1.08 -0.14 0.00 0.86 0.00 0.00 177.93 180.80 1ib1 s ALA 123 N -4.39 -1.13 -0.07 2.45 0.00 -1.16 -4.84 121.76 112.62 1ib1 s ALA 123 Ca -0.10 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 1ib1 s ALA 123 Cb 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1ib1 s ALA 123 CO 0.86 -0.26 0.13 -1.17 0.00 0.00 0.00 175.76 175.32 1ib1 s LEU 124 N -0.53 0.25 -0.02 0.00 2.96 -1.26 -1.62 118.68 118.45 1ib1 s LEU 124 Ca -0.06 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 1ib1 s LEU 124 Cb -0.03 0.20 0.04 0.00 0.50 0.00 0.00 46.19 46.90 1ib1 s LEU 124 CO 0.03 -0.21 0.44 0.00 -1.32 0.00 0.00 176.35 175.29 1ib1 s ALA 125 N 1.89 -1.13 -0.02 5.97 0.00 -1.06 -5.03 121.76 122.39 1ib1 s ALA 125 Ca -0.01 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1ib1 s ALA 125 Cb -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1ib1 s ALA 125 CO -0.05 -0.30 -0.26 0.08 0.00 0.00 0.00 175.76 175.23 1ib1 s VAL 126 N -1.31 2.04 0.32 0.00 1.01 -1.26 -1.69 120.40 119.51 1ib1 s VAL 126 Ca -0.12 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1ib1 s VAL 126 Cb -0.03 -1.70 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 1ib1 s VAL 126 CO 0.06 0.58 1.56 1.57 0.00 0.00 0.00 175.10 178.87 1ib1 n HIS 127 N 2.48 2.89 -0.32 5.22 -0.00 0.10 -4.83 115.22 120.76 1ib1 n HIS 127 Ca -0.16 0.32 0.28 0.00 0.46 0.00 0.00 57.72 58.62 1ib1 n HIS 127 Cb 0.51 -2.57 0.62 0.00 -0.12 0.00 0.00 29.99 28.42 1ib1 n HIS 127 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1ib1 h ARG 128 N 4.19 0.21 -0.02 1.57 0.11 -1.94 0.20 114.38 118.69 1ib1 h ARG 128 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1ib1 h ARG 128 Cb 1.23 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1ib1 h ARG 128 CO 0.74 0.14 0.00 0.43 0.10 0.00 0.00 179.97 181.38 1ib1 n SER 129 N -4.44 0.22 0.00 0.08 7.64 -1.26 -3.58 113.62 112.27 1ib1 n SER 129 Ca 0.25 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1ib1 n SER 129 Cb 1.04 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1ib1 n SER 129 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ib1 n PHE 130 N -0.66 0.00 -1.36 1.43 3.01 0.04 -5.09 117.46 114.83 1ib1 n PHE 130 Ca 0.15 -0.13 -0.30 0.00 1.01 0.00 0.00 57.45 58.19 1ib1 n PHE 130 Cb 0.10 -0.01 0.12 0.00 -0.01 0.00 0.00 39.48 39.68 1ib1 n PHE 130 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1ib1 s ARG 131 N -0.25 1.61 -1.65 -1.08 0.52 -1.13 -3.91 118.95 113.06 1ib1 s ARG 131 Ca 0.00 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 1ib1 s ARG 131 Cb 0.00 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1ib1 s ARG 131 CO 0.00 -1.97 0.00 1.04 0.02 0.00 0.00 175.30 174.39 1ib1 n GLN 132 N -3.69 -1.72 -0.02 3.54 1.13 -1.26 -4.82 117.38 110.55 1ib1 n GLN 132 Ca 0.07 0.93 0.04 0.00 -1.94 0.00 0.00 57.00 56.09 1ib1 n GLN 132 Cb 0.56 -5.47 0.04 0.00 0.11 0.00 0.00 30.24 25.48 1ib1 n GLN 132 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1ib1 n GLN 133 N -2.69 0.54 -0.58 -1.09 6.02 -1.25 -4.97 117.38 113.36 1ib1 n GLN 133 Ca -0.20 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.69 1ib1 n GLN 133 Cb 0.64 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.75 1ib1 n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ib1 n GLY 134 N 0.35 1.06 0.26 1.08 0.00 -1.26 -4.93 105.19 101.75 1ib1 n GLY 134 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1ib1 n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ib1 h LYS 135 N 3.44 0.47 -0.21 1.61 1.79 -1.93 -2.02 116.57 119.72 1ib1 h LYS 135 Ca 0.00 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.24 1ib1 h LYS 135 Cb 0.00 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1ib1 h LYS 135 CO 0.00 0.56 -0.34 0.78 -1.08 0.00 0.00 179.45 179.37 1ib1 h GLY 136 N 0.87 0.48 1.03 3.86 0.00 -1.91 -1.82 103.07 105.58 1ib1 h GLY 136 Ca 0.09 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 46.81 1ib1 h GLY 136 CO 0.02 0.40 -0.55 1.76 0.00 0.00 0.00 176.54 178.17 1ib1 h SER 137 N 0.38 0.81 -0.86 0.19 0.02 -1.91 -1.46 113.55 110.72 1ib1 h SER 137 Ca 0.04 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1ib1 h SER 137 Cb 0.78 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1ib1 h SER 137 CO 0.06 1.25 0.44 0.58 -1.14 0.00 0.00 176.83 178.03 1ib1 h VAL 138 N 0.42 1.26 0.02 2.27 2.07 -1.23 -0.12 116.25 120.93 1ib1 h VAL 138 Ca -0.01 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1ib1 h VAL 138 Cb 1.16 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ib1 h VAL 138 CO 0.12 0.30 -0.01 0.25 0.02 0.00 0.00 177.57 178.25 1ib1 h LEU 139 N 1.22 -0.02 -0.42 2.57 6.46 -1.30 -0.95 115.31 122.86 1ib1 h LEU 139 Ca 0.30 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1ib1 h LEU 139 Cb 0.07 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1ib1 h LEU 139 CO -0.04 0.30 0.25 0.25 -0.62 0.00 0.00 178.44 178.59 1ib1 h LEU 140 N -0.35 0.42 -0.09 2.25 5.85 -1.03 0.20 115.31 122.56 1ib1 h LEU 140 Ca -0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ib1 h LEU 140 Cb 0.34 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1ib1 h LEU 140 CO 0.00 0.30 -0.04 -0.50 -0.34 0.00 0.00 178.44 177.87 1ib1 h TRP 141 N 0.51 -0.09 -0.51 1.25 -0.00 -1.03 -1.14 115.95 114.94 1ib1 h TRP 141 Ca 0.16 0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.15 1ib1 h TRP 141 Cb -0.01 0.05 -0.07 0.00 -0.00 0.00 0.00 29.16 29.13 1ib1 h TRP 141 CO -0.07 -0.07 0.10 -0.09 -0.00 0.00 0.00 178.44 178.31 1ib1 h ARG 142 N -0.03 0.22 -0.43 0.49 9.65 -0.57 -1.58 114.38 122.13 1ib1 h ARG 142 Ca 0.05 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1ib1 h ARG 142 Cb 0.10 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1ib1 h ARG 142 CO -0.11 0.15 0.05 -0.92 2.80 0.00 0.00 179.97 181.94 1ib1 h TYR 143 N 0.23 0.70 -0.01 2.20 3.20 -0.10 0.12 116.97 123.31 1ib1 h TYR 143 Ca 0.26 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1ib1 h TYR 143 Cb 0.35 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1ib1 h TYR 143 CO -0.24 0.63 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.48 1ib1 h LEU 144 N 0.64 0.01 0.21 2.82 3.38 -0.25 -1.50 115.31 120.64 1ib1 h LEU 144 Ca 0.14 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.81 1ib1 h LEU 144 Cb 0.33 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.11 1ib1 h LEU 144 CO 0.01 0.38 -1.29 0.45 0.09 0.00 0.00 178.44 178.08 1ib1 h HIS 145 N 0.01 0.82 0.28 1.13 3.86 -0.84 -1.13 115.15 119.29 1ib1 h HIS 145 Ca -0.00 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.61 1ib1 h HIS 145 Cb 0.66 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1ib1 h HIS 145 CO 0.00 1.49 -0.27 1.25 0.86 0.00 0.00 177.93 181.26 1ib1 h HIS 146 N -0.03 -0.72 0.00 2.45 -0.00 -0.82 -1.93 115.15 114.09 1ib1 h HIS 146 Ca -0.23 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.98 1ib1 h HIS 146 Cb 1.99 0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 29.66 1ib1 h HIS 146 CO 0.15 -0.40 -0.81 -0.39 -0.00 0.00 0.00 177.93 176.49 1ib1 h VAL 147 N -0.58 1.42 -0.10 5.26 -1.51 -1.42 -3.26 116.25 116.06 1ib1 h VAL 147 Ca -0.01 -2.91 -0.03 0.00 -1.23 0.00 0.00 66.70 62.51 1ib1 h VAL 147 Cb 0.53 2.64 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 1ib1 h VAL 147 CO -0.05 0.79 -0.09 1.23 -1.23 0.00 0.00 177.57 178.22 1ib1 h GLY 148 N 3.02 0.16 2.00 5.19 0.00 -1.06 -1.59 103.07 110.79 1ib1 h GLY 148 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1ib1 h GLY 148 CO 0.10 0.08 -0.23 0.00 0.00 0.00 0.00 176.54 176.49 1ib1 h ALA 149 N 1.77 1.14 -2.11 3.60 0.00 -1.39 -3.42 119.26 118.84 1ib1 h ALA 149 Ca 0.03 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.17 1ib1 h ALA 149 Cb 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ib1 h ALA 149 CO 0.01 0.29 1.02 -0.65 0.00 0.00 0.00 179.25 179.93 1ib1 s GLN 150 N -3.88 4.04 0.00 0.00 -0.21 -0.60 -4.89 119.66 114.12 1ib1 s GLN 150 Ca -0.01 1.72 0.00 0.00 0.02 0.00 0.00 55.36 57.09 1ib1 s GLN 150 Cb 0.12 -3.92 0.00 0.00 1.00 0.00 0.00 33.01 30.21 1ib1 s GLN 150 CO 0.64 -0.98 0.25 -2.30 -2.12 0.00 0.00 175.29 170.77 1ib1 n PRO 151 N 7.16 0.00 0.00 2.91 -0.02 -1.26 -1.65 135.00 142.14 1ib1 n PRO 151 Ca 0.16 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1ib1 n PRO 151 Cb 0.45 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1ib1 n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ib1 n ALA 152 N -0.75 1.41 -2.53 3.55 0.00 -1.26 -4.96 120.51 115.97 1ib1 n ALA 152 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ib1 n ALA 152 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1ib1 n ALA 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ib1 s VAL 153 N -1.34 3.79 -0.51 0.00 1.01 -0.66 -4.33 120.40 118.36 1ib1 s VAL 153 Ca 0.00 -0.12 0.23 0.00 0.00 0.00 0.00 61.98 62.09 1ib1 s VAL 153 Cb 0.00 -4.94 -0.06 0.00 0.00 0.00 0.00 36.38 31.38 1ib1 s VAL 153 CO 0.00 -1.85 1.08 0.54 0.00 0.00 0.00 175.10 174.87 1ib1 n ARG 154 N 9.15 0.38 -4.08 2.72 1.74 0.98 -4.22 116.66 123.33 1ib1 n ARG 154 Ca 0.17 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1ib1 n ARG 154 Cb 0.50 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 30.20 1ib1 n ARG 154 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ib1 s ARG 155 N -3.24 1.28 0.01 5.56 3.52 -1.09 -0.22 118.95 124.77 1ib1 s ARG 155 Ca 0.03 -1.40 0.05 0.00 -0.13 0.00 0.00 55.73 54.27 1ib1 s ARG 155 Cb 0.13 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1ib1 s ARG 155 CO 0.78 -0.47 -0.14 0.00 -0.81 0.00 0.00 175.30 174.66 1ib1 s ALA 156 N -4.07 1.20 0.02 6.12 0.00 0.72 -0.79 121.76 124.96 1ib1 s ALA 156 Ca 0.28 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1ib1 s ALA 156 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1ib1 s ALA 156 CO 0.08 0.28 -0.04 0.14 0.00 0.00 0.00 175.76 176.21 1ib1 s VAL 157 N -0.50 0.29 0.16 0.00 -7.23 -0.13 -0.69 120.40 112.31 1ib1 s VAL 157 Ca 0.04 -0.58 -0.24 0.00 -1.81 0.00 0.00 61.98 59.40 1ib1 s VAL 157 Cb -0.06 -0.33 0.06 0.00 0.56 0.00 0.00 36.38 36.61 1ib1 s VAL 157 CO 0.00 -0.20 0.68 -1.48 -0.31 0.00 0.00 175.10 173.80 1ib1 s LEU 158 N -0.83 -0.46 0.11 1.32 0.05 -0.92 -0.71 118.68 117.24 1ib1 s LEU 158 Ca -0.06 -0.14 0.09 0.00 0.05 0.00 0.00 54.13 54.08 1ib1 s LEU 158 Cb -0.06 2.52 -0.04 0.00 -2.05 0.00 0.00 46.19 46.57 1ib1 s LEU 158 CO -0.00 -0.99 -0.24 0.00 -0.55 0.00 0.00 176.35 174.57 1ib1 s MET 159 N -3.67 1.31 0.24 1.48 0.23 -1.26 -0.33 119.30 117.29 1ib1 s MET 159 Ca 0.04 -1.23 -0.17 0.00 -1.03 0.00 0.00 55.69 53.31 1ib1 s MET 159 Cb -0.02 -1.66 0.01 0.00 -1.53 0.00 0.00 34.83 31.63 1ib1 s MET 159 CO -0.08 0.40 0.57 0.00 -2.03 0.00 0.00 175.02 173.87 1ib1 s GLU 161 N -3.94 3.67 0.33 0.00 1.03 -1.26 -0.37 118.70 118.15 1ib1 s GLU 161 Ca 0.15 0.63 0.12 0.00 0.03 0.00 0.00 54.97 55.90 1ib1 s GLU 161 Cb -0.02 -2.19 1.01 0.00 -0.80 0.00 0.00 34.13 32.12 1ib1 s GLU 161 CO 0.05 -0.37 1.66 -0.44 -1.33 0.00 0.00 175.26 174.83 1ib1 h ASP 162 N 0.21 0.41 -0.79 0.83 3.45 -1.95 -1.28 116.42 117.31 1ib1 h ASP 162 Ca -0.46 0.19 0.12 0.00 0.43 0.00 0.00 57.03 57.31 1ib1 h ASP 162 Cb 1.19 0.17 -0.06 0.00 -0.56 0.00 0.00 39.33 40.07 1ib1 h ASP 162 CO 0.62 -0.14 0.52 0.00 -1.57 0.00 0.00 179.24 178.67 1ib1 h ALA 163 N 1.84 1.86 -0.00 3.45 0.00 -2.03 -1.82 119.26 122.55 1ib1 h ALA 163 Ca 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1ib1 h ALA 163 Cb 1.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ib1 h ALA 163 CO -0.62 -0.04 -0.16 1.28 0.00 0.00 0.00 179.25 179.71 1ib1 n LEU 164 N -4.51 0.50 -0.02 0.00 4.77 -0.48 -4.25 117.00 113.00 1ib1 n LEU 164 Ca 0.14 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1ib1 n LEU 164 Cb 0.39 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1ib1 n LEU 164 CO 0.32 0.10 0.82 0.58 -1.33 0.00 0.00 177.39 177.88 1ib1 h VAL 165 N 0.52 0.79 0.00 4.08 2.07 -1.35 -1.39 116.25 120.97 1ib1 h VAL 165 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ib1 h VAL 165 Cb 0.41 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ib1 h VAL 165 CO 0.00 0.00 -0.10 -0.65 0.02 0.00 0.00 177.57 176.84 1ib1 h PRO 166 N -0.03 0.00 0.10 1.57 0.11 -1.77 -2.26 132.00 129.71 1ib1 h PRO 166 Ca 0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1ib1 h PRO 166 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ib1 h PRO 166 CO -0.19 0.10 -0.05 0.35 -0.21 0.00 0.00 178.00 178.00 1ib1 h PHE 167 N 0.00 -0.13 0.00 0.65 3.57 -1.57 -3.13 116.94 116.33 1ib1 h PHE 167 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ib1 h PHE 167 Cb 0.18 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1ib1 h PHE 167 CO 0.00 0.21 -0.05 1.88 -2.23 0.00 0.00 178.31 178.11 1ib1 h TYR 168 N -0.48 0.00 0.00 0.41 0.05 -0.74 -1.79 116.97 114.42 1ib1 h TYR 168 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1ib1 h TYR 168 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1ib1 h TYR 168 CO 0.04 0.05 0.00 1.96 -1.05 0.00 0.00 178.16 179.16 1ib1 h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.37 -1.87 115.11 120.95 1ib1 h GLN 169 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ib1 h GLN 169 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1ib1 h GLN 169 CO 0.01 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.71 1ib1 n ARG 170 N -2.89 0.28 0.00 1.46 1.74 -0.67 -2.33 116.66 114.24 1ib1 n ARG 170 Ca 0.01 0.09 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1ib1 n ARG 170 Cb 0.28 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1ib1 n ARG 170 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ib1 n PHE 171 N -1.30 0.00 0.00 -1.55 3.01 -0.73 -4.98 117.46 111.91 1ib1 n PHE 171 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1ib1 n PHE 171 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1ib1 n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ib1 n GLY 172 N 0.54 0.77 3.77 1.37 0.00 -0.99 -5.04 105.19 105.61 1ib1 n GLY 172 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1ib1 n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ib1 s PHE 173 N -2.00 2.82 0.02 1.61 0.40 -1.05 -4.52 117.98 115.25 1ib1 s PHE 173 Ca 0.00 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 57.92 1ib1 s PHE 173 Cb 0.00 -3.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 1ib1 s PHE 173 CO 0.00 -1.54 -0.17 -1.01 0.70 0.00 0.00 175.22 173.20 1ib1 s HIS 174 N -1.60 1.53 0.19 0.36 3.76 0.54 -4.04 115.29 116.04 1ib1 s HIS 174 Ca 0.66 -0.33 -0.32 0.00 -0.15 0.00 0.00 55.06 54.92 1ib1 s HIS 174 Cb -0.28 -0.94 -0.11 0.00 1.11 0.00 0.00 32.58 32.36 1ib1 s HIS 174 CO 0.33 0.03 1.64 -2.14 -0.85 0.00 0.00 174.74 173.75 1ib1 s PRO 175 N -0.87 4.17 -0.21 8.40 0.02 -1.26 -1.56 135.00 143.69 1ib1 s PRO 175 Ca 0.05 2.49 0.12 0.00 0.02 0.00 0.00 61.00 63.68 1ib1 s PRO 175 Cb -0.08 -3.11 0.42 0.00 0.02 0.00 0.00 34.50 31.75 1ib1 s PRO 175 CO 0.01 -0.67 1.24 0.00 -0.33 0.00 0.00 177.00 177.24 1ib1 n ALA 176 N 3.86 3.56 -0.33 -1.55 0.00 0.18 -4.90 120.51 121.33 1ib1 n ALA 176 Ca 0.14 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1ib1 n ALA 176 Cb 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1ib1 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib1 n GLY 177 N -1.15 -1.52 3.75 0.00 0.00 -1.26 -4.62 105.19 100.39 1ib1 n GLY 177 Ca 0.20 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1ib1 n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ib1 n PRO 178 N -0.54 2.12 -3.34 1.61 -0.02 -1.26 -0.15 135.00 133.41 1ib1 n PRO 178 Ca 0.00 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 1ib1 n PRO 178 Cb 0.00 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 1ib1 n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ib1 n ALA 180 N 2.52 2.00 -2.65 0.00 0.00 -1.26 -4.66 120.51 116.47 1ib1 n ALA 180 Ca -0.10 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1ib1 n ALA 180 Cb 0.52 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 1ib1 n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ib1 s ILE 181 N -2.19 5.29 -0.14 0.00 1.01 -1.26 -4.27 121.20 119.63 1ib1 s ILE 181 Ca 0.20 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 1ib1 s ILE 181 Cb 0.11 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1ib1 s ILE 181 CO 0.20 0.29 -0.06 0.68 0.00 0.00 0.00 174.94 176.04 1ib1 s VAL 182 N 1.34 3.68 -0.23 2.92 -7.23 -1.26 -4.50 120.40 115.12 1ib1 s VAL 182 Ca 0.11 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1ib1 s VAL 182 Cb -0.14 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.25 1ib1 s VAL 182 CO 0.07 0.51 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.55 1ib1 s VAL 183 N 0.24 2.29 0.00 1.32 1.01 -1.04 -4.97 120.40 119.25 1ib1 s VAL 183 Ca -0.04 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1ib1 s VAL 183 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1ib1 s VAL 183 CO 0.03 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1ib1 n GLY 184 N 4.55 2.63 2.24 4.51 0.00 -1.26 -0.52 105.19 117.35 1ib1 n GLY 184 Ca -0.17 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1ib1 n GLY 184 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ib1 n SER 185 N 10.43 4.18 -4.25 1.61 7.64 -1.26 -5.03 113.62 126.95 1ib1 n SER 185 Ca 0.00 -3.40 -0.30 0.00 1.01 0.00 0.00 58.87 56.19 1ib1 n SER 185 Cb 0.00 -0.38 -0.16 0.00 -1.01 0.00 0.00 64.21 62.65 1ib1 n SER 185 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ib1 s LEU 186 N -3.62 2.03 0.08 -3.43 1.43 0.32 -5.14 118.68 110.35 1ib1 s LEU 186 Ca 0.46 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1ib1 s LEU 186 Cb 0.39 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1ib1 s LEU 186 CO 0.00 0.25 -0.26 0.42 0.23 0.00 0.00 176.35 176.99 1ib1 s THR 187 N -0.31 2.24 0.21 5.49 -4.23 -1.26 -2.50 115.64 115.28 1ib1 s THR 187 Ca 0.02 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1ib1 s THR 187 Cb -0.11 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1ib1 s THR 187 CO 0.01 0.27 0.07 -0.36 -0.54 0.00 0.00 174.62 174.07 1ib1 s PHE 188 N -0.91 1.33 -0.07 3.99 0.08 -1.26 -4.82 117.98 116.32 1ib1 s PHE 188 Ca 0.13 -1.16 -0.11 0.00 0.12 0.00 0.00 56.93 55.91 1ib1 s PHE 188 Cb -0.10 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 1ib1 s PHE 188 CO 0.04 -0.35 0.28 0.99 -0.10 0.00 0.00 175.22 176.08 1ib1 s THR 189 N -3.80 5.26 0.21 0.64 2.01 0.50 -0.63 115.64 119.82 1ib1 s THR 189 Ca 0.32 0.54 -0.21 0.00 0.31 0.00 0.00 61.69 62.65 1ib1 s THR 189 Cb 0.07 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 1ib1 s THR 189 CO 0.09 0.57 0.74 -0.70 -0.69 0.00 0.00 174.62 174.63 1ib1 s GLU 190 N -0.82 4.34 -0.03 4.92 2.12 0.79 -1.73 118.70 128.28 1ib1 s GLU 190 Ca 0.19 0.95 0.03 0.00 0.36 0.00 0.00 54.97 56.51 1ib1 s GLU 190 Cb -0.14 -2.98 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 1ib1 s GLU 190 CO 0.08 0.44 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.48 1ib1 s MET 191 N -1.74 1.34 -0.03 4.30 -1.94 0.55 0.50 119.30 122.28 1ib1 s MET 191 Ca 0.41 -0.45 0.06 0.00 -1.71 0.00 0.00 55.69 54.00 1ib1 s MET 191 Cb -0.18 -1.20 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 1ib1 s MET 191 CO 0.22 0.18 -0.22 -1.01 -0.01 0.00 0.00 175.02 174.18 1ib1 s HIS 192 N 0.11 2.04 -0.17 -0.03 3.76 -0.60 -2.17 115.29 118.23 1ib1 s HIS 192 Ca -0.03 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1ib1 s HIS 192 Cb -0.10 -1.33 0.05 0.00 1.11 0.00 0.00 32.58 32.31 1ib1 s HIS 192 CO 0.01 -0.10 0.00 0.00 -0.85 0.00 0.00 174.74 173.80 1ib1 s SER 194 N 1.79 7.05 0.00 0.00 0.15 -1.26 -0.20 113.70 121.22 1ib1 s SER 194 Ca 0.00 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1ib1 s SER 194 Cb -0.16 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1ib1 s SER 194 CO -0.07 -0.32 0.00 0.18 1.20 0.00 0.00 173.24 174.23 1ib1 n LEU 195 N 1.06 0.00 0.00 3.45 4.77 0.70 -4.90 117.00 122.08 1ib1 n LEU 195 Ca -0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1ib1 n LEU 195 Cb 0.43 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.07 1ib1 n LEU 195 CO 0.56 0.00 0.74 -2.11 -1.33 0.00 0.00 177.39 175.26